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 2p2g_1_B DATA FIRST_RESID 1 DATA SEQUENCE VIRHFLRDDD LSPAEQAEVL ELAAELKKDP VSRRPLQGPR GVAVIFDKNS DATA SEQUENCE TRTRFSFELG IAQLGGHAVV VDSGSTQLGR DETLQDTAKV LSRYVDAIVW DATA SEQUENCE RTFGQERLDA MASVATVPVI NALSDEFHPC QVLADLQTIA ERKGALRGLR DATA SEQUENCE LSYFGDGANN MAHSLLLGGV TAGIHVTVAA PEGFLPDPSV RAAAERRAQD DATA SEQUENCE TGASVTVTAD AHAAAAGADV LVTDTWXXXX XXXXXXXXVK PFRPFQLNSR DATA SEQUENCE LLALADSDAI VLHCLPAHRG DEITDAVMDG PASAVWDEAE NRLHAQKALL DATA SEQUENCE VWLLERS 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.065 176.094 -0.048 0.000 1.182 1 V CA 0.000 62.277 62.300 -0.038 0.000 1.235 1 V CB 0.000 31.812 31.823 -0.018 0.000 1.184 2 I N 3.730 124.248 120.570 -0.086 0.000 8.444 2 I HA -0.178 3.992 4.170 -0.000 0.000 0.126 2 I C 0.194 176.186 176.117 -0.209 0.000 1.836 2 I CA 0.610 61.814 61.300 -0.160 0.000 2.074 2 I CB -0.207 37.695 38.000 -0.164 0.000 3.795 2 I HN 0.576 nan 8.210 nan 0.000 0.181 3 R N 5.888 126.262 120.500 -0.210 0.000 2.407 3 R HA 0.622 4.962 4.340 -0.000 0.000 0.303 3 R C -0.120 176.083 176.300 -0.163 0.000 0.981 3 R CA -0.756 55.291 56.100 -0.089 0.000 0.905 3 R CB 1.478 31.829 30.300 0.085 0.000 1.099 3 R HN 0.469 nan 8.270 nan 0.000 0.459 4 H N 0.960 120.135 119.070 0.174 0.000 2.754 4 H HA 0.435 4.991 4.556 -0.000 0.000 0.352 4 H C -0.885 174.614 175.328 0.285 0.000 1.213 4 H CA -0.626 55.532 56.048 0.184 0.000 1.244 4 H CB 2.080 31.912 29.762 0.115 0.000 1.843 4 H HN 0.348 nan 8.280 nan 0.000 0.587 5 F N 2.141 122.218 119.950 0.212 0.000 2.949 5 F HA 0.244 4.771 4.527 -0.000 0.000 0.376 5 F C -0.572 175.273 175.800 0.076 0.000 1.205 5 F CA -0.306 57.762 58.000 0.114 0.000 1.155 5 F CB 0.008 39.076 39.000 0.113 0.000 1.495 5 F HN 0.314 nan 8.300 nan 0.000 0.551 6 L N 4.016 125.076 121.223 -0.273 0.000 2.642 6 L HA 0.396 4.736 4.340 -0.000 0.000 0.233 6 L C 0.252 176.855 176.870 -0.445 0.000 1.077 6 L CA -0.070 54.628 54.840 -0.236 0.000 0.879 6 L CB 0.177 42.160 42.059 -0.127 0.000 1.151 6 L HN 0.395 nan 8.230 nan 0.000 0.495 7 R N -1.649 118.420 120.500 -0.719 0.000 2.710 7 R HA 0.311 4.651 4.340 -0.000 0.000 0.270 7 R C -0.864 174.956 176.300 -0.801 0.000 1.021 7 R CA -0.746 54.806 56.100 -0.914 0.000 0.889 7 R CB 0.816 30.330 30.300 -1.310 0.000 1.243 7 R HN -0.273 nan 8.270 nan 0.000 0.464 8 D N 0.518 120.581 120.400 -0.561 0.000 2.265 8 D HA -0.160 4.479 4.640 -0.000 0.000 0.208 8 D C 0.555 176.758 176.300 -0.161 0.000 0.977 8 D CA 1.768 55.600 54.000 -0.280 0.000 0.871 8 D CB -0.007 40.734 40.800 -0.098 0.000 0.925 8 D HN 0.649 nan 8.370 nan 0.000 0.485 9 D N -0.553 119.715 120.400 -0.220 0.000 2.349 9 D HA -0.050 4.590 4.640 -0.000 0.000 0.214 9 D C 0.871 177.121 176.300 -0.084 0.000 1.063 9 D CA 0.047 53.975 54.000 -0.121 0.000 0.847 9 D CB -0.140 40.590 40.800 -0.117 0.000 0.933 9 D HN -0.022 nan 8.370 nan 0.000 0.513 10 D N 0.681 121.017 120.400 -0.106 0.000 2.182 10 D HA -0.049 4.591 4.640 -0.000 0.000 0.201 10 D C 0.843 177.197 176.300 0.090 0.000 0.986 10 D CA 0.608 54.611 54.000 0.005 0.000 0.847 10 D CB 0.279 41.096 40.800 0.030 0.000 0.942 10 D HN 0.319 nan 8.370 nan 0.000 0.467 11 L N 0.825 122.107 121.223 0.100 0.000 2.375 11 L HA 0.159 4.499 4.340 -0.000 0.000 0.271 11 L C 0.918 177.773 176.870 -0.024 0.000 1.107 11 L CA -0.510 54.325 54.840 -0.008 0.000 0.806 11 L CB 1.360 43.355 42.059 -0.107 0.000 1.146 11 L HN -0.077 nan 8.230 nan 0.000 0.447 12 S N 1.239 116.919 115.700 -0.034 0.000 2.654 12 S HA 0.421 4.891 4.470 -0.000 0.000 0.283 12 S C -2.032 172.544 174.600 -0.040 0.000 1.180 12 S CA -1.358 56.833 58.200 -0.015 0.000 1.021 12 S CB 1.686 64.898 63.200 0.021 0.000 1.018 12 S HN 0.351 nan 8.310 nan 0.000 0.532 13 P HA -0.172 nan 4.420 nan 0.000 0.216 13 P C 1.598 178.874 177.300 -0.039 0.000 1.157 13 P CA 2.361 65.439 63.100 -0.037 0.000 0.880 13 P CB -0.255 31.430 31.700 -0.025 0.000 0.791 14 A N -0.366 122.444 122.820 -0.017 0.000 1.902 14 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 14 A C 2.124 179.702 177.584 -0.011 0.000 1.181 14 A CA 1.845 53.882 52.037 0.000 0.000 0.623 14 A CB -1.201 17.817 19.000 0.029 0.000 0.818 14 A HN 0.220 nan 8.150 nan 0.000 0.443 15 E N -1.012 119.167 120.200 -0.035 0.000 2.158 15 E HA -0.159 4.190 4.350 -0.000 0.000 0.191 15 E C 2.177 178.556 176.600 -0.370 0.000 0.982 15 E CA 0.862 57.184 56.400 -0.130 0.000 0.823 15 E CB -0.087 29.524 29.700 -0.149 0.000 0.766 15 E HN 0.760 nan 8.360 nan 0.000 0.468 16 Q N 0.327 119.972 119.800 -0.257 0.000 2.230 16 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 16 Q C 2.031 177.916 176.000 -0.192 0.000 0.963 16 Q CA 0.959 56.608 55.803 -0.256 0.000 0.866 16 Q CB 0.038 28.689 28.738 -0.145 0.000 0.931 16 Q HN 0.232 nan 8.270 nan 0.000 0.452 17 A N 0.871 123.617 122.820 -0.125 0.000 1.930 17 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 17 A C 1.745 179.287 177.584 -0.070 0.000 1.175 17 A CA 1.412 53.403 52.037 -0.076 0.000 0.627 17 A CB -0.372 18.605 19.000 -0.039 0.000 0.815 17 A HN 0.463 nan 8.150 nan 0.000 0.443 18 E N -0.297 119.860 120.200 -0.072 0.000 2.031 18 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 18 E C 2.009 178.575 176.600 -0.057 0.000 0.994 18 E CA 1.463 57.863 56.400 0.000 0.000 0.800 18 E CB -0.322 29.477 29.700 0.165 0.000 0.752 18 E HN 0.380 nan 8.360 nan 0.000 0.447 19 V N 1.625 121.378 119.914 -0.268 0.000 2.332 19 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 19 V C 2.322 178.339 176.094 -0.128 0.000 1.055 19 V CA 1.561 63.709 62.300 -0.254 0.000 1.038 19 V CB -0.505 31.039 31.823 -0.465 0.000 0.651 19 V HN 0.268 nan 8.190 nan 0.000 0.450 20 L N -0.541 120.610 121.223 -0.120 0.000 2.056 20 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 20 L C 2.631 179.477 176.870 -0.039 0.000 1.078 20 L CA 1.671 56.469 54.840 -0.071 0.000 0.749 20 L CB -0.604 41.415 42.059 -0.066 0.000 0.901 20 L HN 0.379 nan 8.230 nan 0.000 0.433 21 E N 0.397 120.579 120.200 -0.030 0.000 2.077 21 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 21 E C 2.194 178.792 176.600 -0.003 0.000 0.989 21 E CA 1.135 57.528 56.400 -0.012 0.000 0.800 21 E CB 0.007 29.707 29.700 -0.000 0.000 0.746 21 E HN 0.220 nan 8.360 nan 0.000 0.452 22 L N 0.878 122.107 121.223 0.010 0.000 2.079 22 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 22 L C 2.169 179.045 176.870 0.011 0.000 1.081 22 L CA 2.088 56.944 54.840 0.025 0.000 0.752 22 L CB -0.758 41.339 42.059 0.063 0.000 0.896 22 L HN 0.095 nan 8.230 nan 0.000 0.433 23 A N -0.866 121.953 122.820 -0.002 0.000 1.969 23 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 23 A C 2.414 179.988 177.584 -0.017 0.000 1.169 23 A CA 1.498 53.539 52.037 0.007 0.000 0.635 23 A CB -0.898 18.104 19.000 0.004 0.000 0.810 23 A HN 0.533 nan 8.150 nan 0.000 0.445 24 A N -0.150 122.651 122.820 -0.031 0.000 1.929 24 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 24 A C 1.863 179.408 177.584 -0.065 0.000 1.176 24 A CA 1.412 53.415 52.037 -0.057 0.000 0.628 24 A CB -0.410 18.567 19.000 -0.038 0.000 0.816 24 A HN 0.609 nan 8.150 nan 0.000 0.444 25 E N -0.111 120.067 120.200 -0.036 0.000 2.110 25 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 25 E C 1.780 178.358 176.600 -0.035 0.000 0.988 25 E CA 1.071 57.454 56.400 -0.027 0.000 0.804 25 E CB -0.233 29.463 29.700 -0.005 0.000 0.745 25 E HN 0.607 nan 8.360 nan 0.000 0.458 26 L N 0.702 121.907 121.223 -0.031 0.000 2.240 26 L HA -0.088 4.252 4.340 -0.000 0.000 0.211 26 L C 2.510 179.329 176.870 -0.086 0.000 1.106 26 L CA 0.733 55.564 54.840 -0.014 0.000 0.793 26 L CB -0.156 41.927 42.059 0.040 0.000 0.927 26 L HN 0.036 nan 8.230 nan 0.000 0.446 27 K N 1.124 121.375 120.400 -0.248 0.000 2.057 27 K HA -0.228 4.092 4.320 -0.000 0.000 0.206 27 K C 2.221 178.654 176.600 -0.279 0.000 1.050 27 K CA 1.429 57.363 56.287 -0.587 0.000 0.935 27 K CB 0.104 32.210 32.500 -0.657 0.000 0.715 27 K HN 0.139 nan 8.250 nan 0.000 0.439 28 K N -0.066 120.241 120.400 -0.155 0.000 2.062 28 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 28 K C -0.309 176.262 176.600 -0.049 0.000 1.051 28 K CA 1.523 57.760 56.287 -0.084 0.000 0.941 28 K CB 0.283 32.747 32.500 -0.059 0.000 0.719 28 K HN 0.026 nan 8.250 nan 0.000 0.440 29 D N 1.550 121.927 120.400 -0.037 0.000 2.412 29 D HA 0.124 4.764 4.640 -0.000 0.000 0.276 29 D C -2.112 174.191 176.300 0.006 0.000 1.196 29 D CA -1.555 52.439 54.000 -0.010 0.000 0.905 29 D CB 1.768 42.566 40.800 -0.004 0.000 1.081 29 D HN 0.151 nan 8.370 nan 0.000 0.502 30 P HA -0.099 nan 4.420 nan 0.000 0.225 30 P C 1.153 178.483 177.300 0.050 0.000 1.148 30 P CA 0.738 63.870 63.100 0.054 0.000 0.779 30 P CB 0.364 32.111 31.700 0.078 0.000 0.780 31 V N -3.605 116.331 119.914 0.036 0.000 3.070 31 V HA 0.256 4.376 4.120 -0.000 0.000 0.345 31 V C 1.795 177.905 176.094 0.027 0.000 1.403 31 V CA 0.483 62.803 62.300 0.034 0.000 1.155 31 V CB -0.589 31.253 31.823 0.032 0.000 1.140 31 V HN 0.058 nan 8.190 nan 0.000 0.505 32 S N 0.013 115.727 115.700 0.023 0.000 2.470 32 S HA 0.218 4.688 4.470 -0.000 0.000 0.225 32 S C 0.995 175.606 174.600 0.019 0.000 1.006 32 S CA -0.048 58.162 58.200 0.018 0.000 0.934 32 S CB -0.092 63.115 63.200 0.013 0.000 0.778 32 S HN 0.556 nan 8.310 nan 0.000 0.517 33 R N 1.647 122.162 120.500 0.024 0.000 2.294 33 R HA 0.472 4.812 4.340 -0.000 0.000 0.319 33 R C -0.319 175.997 176.300 0.028 0.000 0.984 33 R CA -0.269 55.846 56.100 0.025 0.000 0.861 33 R CB 0.642 30.959 30.300 0.030 0.000 1.104 33 R HN 0.219 nan 8.270 nan 0.000 0.451 34 R N 2.959 123.473 120.500 0.023 0.000 2.795 34 R HA 0.194 4.534 4.340 -0.000 0.000 0.320 34 R C -1.835 174.478 176.300 0.022 0.000 1.223 34 R CA -1.348 54.767 56.100 0.025 0.000 1.305 34 R CB 1.217 31.530 30.300 0.023 0.000 1.318 34 R HN 0.409 nan 8.270 nan 0.000 0.636 35 P HA -0.046 nan 4.420 nan 0.000 0.225 35 P C 0.899 178.211 177.300 0.021 0.000 1.156 35 P CA 0.703 63.813 63.100 0.017 0.000 0.787 35 P CB 0.398 32.106 31.700 0.014 0.000 0.802 36 L N -0.905 120.337 121.223 0.031 0.000 2.629 36 L HA 0.194 4.534 4.340 -0.000 0.000 0.230 36 L C 1.071 177.964 176.870 0.037 0.000 1.151 36 L CA -0.363 54.499 54.840 0.037 0.000 0.924 36 L CB -0.642 41.446 42.059 0.049 0.000 1.137 36 L HN -0.064 nan 8.230 nan 0.000 0.457 37 Q N 0.533 120.350 119.800 0.030 0.000 2.286 37 Q HA 0.261 4.601 4.340 -0.000 0.000 0.290 37 Q C 0.784 176.798 176.000 0.024 0.000 1.049 37 Q CA 1.428 57.247 55.803 0.027 0.000 0.923 37 Q CB 0.797 29.548 28.738 0.020 0.000 1.183 37 Q HN 0.333 nan 8.270 nan 0.000 0.383 38 G N 3.469 112.283 108.800 0.024 0.000 4.432 38 G HA2 0.014 3.974 3.960 -0.000 0.000 0.158 38 G HA3 0.014 3.974 3.960 -0.000 0.000 0.158 38 G C -2.087 172.821 174.900 0.013 0.000 1.637 38 G CA -0.041 45.070 45.100 0.017 0.000 0.900 38 G HN 0.708 nan 8.290 nan 0.000 0.292 39 P HA 0.581 nan 4.420 nan 0.000 0.278 39 P C -0.712 176.612 177.300 0.041 0.000 1.238 39 P CA -0.257 62.867 63.100 0.041 0.000 0.794 39 P CB 1.188 32.927 31.700 0.066 0.000 0.955 40 R N 0.753 121.283 120.500 0.051 0.000 2.532 40 R HA 0.558 4.898 4.340 -0.000 0.000 0.272 40 R C 0.668 177.013 176.300 0.075 0.000 1.032 40 R CA -0.557 55.574 56.100 0.051 0.000 1.089 40 R CB 0.412 30.737 30.300 0.042 0.000 1.098 40 R HN 0.660 nan 8.270 nan 0.000 0.526 41 G N 0.060 108.904 108.800 0.074 0.000 2.420 41 G HA2 0.446 4.406 3.960 -0.000 0.000 0.284 41 G HA3 0.446 4.406 3.960 -0.000 0.000 0.284 41 G C -0.739 174.200 174.900 0.065 0.000 1.177 41 G CA -0.424 44.730 45.100 0.089 0.000 0.841 41 G HN 0.246 nan 8.290 nan 0.000 0.527 42 V N 0.945 120.889 119.914 0.051 0.000 2.588 42 V HA 0.650 4.770 4.120 -0.000 0.000 0.304 42 V C 0.441 176.526 176.094 -0.015 0.000 1.042 42 V CA -1.015 61.295 62.300 0.016 0.000 0.877 42 V CB 1.561 33.394 31.823 0.017 0.000 0.996 42 V HN 1.110 nan 8.190 nan 0.000 0.425 43 A N 4.224 127.019 122.820 -0.042 0.000 2.409 43 A HA 0.668 4.988 4.320 -0.000 0.000 0.267 43 A C -0.382 177.112 177.584 -0.150 0.000 1.127 43 A CA -0.210 51.778 52.037 -0.082 0.000 0.795 43 A CB 0.404 19.346 19.000 -0.098 0.000 1.061 43 A HN 0.804 nan 8.150 nan 0.000 0.502 44 V N 4.813 124.635 119.914 -0.154 0.000 2.350 44 V HA 0.404 4.524 4.120 -0.000 0.000 0.285 44 V C -0.393 175.523 176.094 -0.297 0.000 1.014 44 V CA -0.023 62.118 62.300 -0.264 0.000 0.831 44 V CB 0.745 32.464 31.823 -0.174 0.000 1.000 44 V HN 0.726 nan 8.190 nan 0.000 0.433 45 I N 5.239 125.555 120.570 -0.423 0.000 2.447 45 I HA 0.492 4.662 4.170 -0.000 0.000 0.287 45 I C -1.146 174.810 176.117 -0.268 0.000 1.023 45 I CA -0.226 60.925 61.300 -0.248 0.000 1.083 45 I CB 1.881 39.750 38.000 -0.218 0.000 1.245 45 I HN 0.401 nan 8.210 nan 0.000 0.434 46 F N 4.590 124.599 119.950 0.099 0.000 2.325 46 F HA 0.307 4.834 4.527 -0.000 0.000 0.369 46 F C 1.074 176.899 175.800 0.041 0.000 1.095 46 F CA -0.611 57.427 58.000 0.063 0.000 1.082 46 F CB 0.805 39.826 39.000 0.035 0.000 1.289 46 F HN 0.430 nan 8.300 nan 0.000 0.462 47 D N 0.923 121.378 120.400 0.092 0.000 2.144 47 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 47 D C 0.897 177.213 176.300 0.026 0.000 0.978 47 D CA 1.501 55.477 54.000 -0.040 0.000 0.833 47 D CB 0.201 40.714 40.800 -0.477 0.000 0.961 47 D HN 0.182 nan 8.370 nan 0.000 0.470 48 K N 0.376 120.792 120.400 0.027 0.000 2.316 48 K HA 0.287 4.607 4.320 -0.000 0.000 0.251 48 K C -0.970 175.726 176.600 0.161 0.000 0.934 48 K CA -0.599 55.784 56.287 0.160 0.000 0.802 48 K CB 1.251 33.901 32.500 0.251 0.000 1.171 48 K HN -0.188 nan 8.250 nan 0.000 0.426 49 N N 0.905 119.653 118.700 0.079 0.000 2.525 49 N HA 0.196 4.936 4.740 -0.000 0.000 0.271 49 N C -1.212 174.240 175.510 -0.096 0.000 1.194 49 N CA -0.176 52.823 53.050 -0.085 0.000 0.964 49 N CB 0.986 39.396 38.487 -0.128 0.000 1.126 49 N HN 0.437 nan 8.380 nan 0.000 0.452 50 S N 0.643 116.151 115.700 -0.320 0.000 2.775 50 S HA 0.173 4.643 4.470 -0.000 0.000 0.277 50 S C 0.590 175.083 174.600 -0.179 0.000 1.156 50 S CA -0.719 57.417 58.200 -0.106 0.000 1.081 50 S CB 1.170 64.457 63.200 0.146 0.000 1.054 50 S HN 0.515 nan 8.310 nan 0.000 0.482 51 T N 4.726 119.252 114.554 -0.046 0.000 2.708 51 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 51 T C 2.038 176.884 174.700 0.245 0.000 1.037 51 T CA 1.842 63.979 62.100 0.062 0.000 1.146 51 T CB -0.206 68.736 68.868 0.124 0.000 0.865 51 T HN 0.818 nan 8.240 nan 0.000 0.435 52 R N 0.725 121.354 120.500 0.214 0.000 2.148 52 R HA -0.001 4.339 4.340 -0.000 0.000 0.223 52 R C 2.063 178.533 176.300 0.283 0.000 1.088 52 R CA 1.479 57.723 56.100 0.241 0.000 0.985 52 R CB -0.923 29.462 30.300 0.142 0.000 0.880 52 R HN 0.186 nan 8.270 nan 0.000 0.451 53 T N 0.881 115.621 114.554 0.310 0.000 2.904 53 T HA -0.063 4.287 4.350 -0.000 0.000 0.267 53 T C 1.740 176.756 174.700 0.527 0.000 1.059 53 T CA 1.279 63.649 62.100 0.450 0.000 1.137 53 T CB -0.160 69.056 68.868 0.581 0.000 0.879 53 T HN 0.344 nan 8.240 nan 0.000 0.467 54 R N -0.099 120.634 120.500 0.388 0.000 2.062 54 R HA -0.040 4.299 4.340 -0.000 0.000 0.231 54 R C 2.046 178.447 176.300 0.168 0.000 1.136 54 R CA 1.274 57.551 56.100 0.295 0.000 0.948 54 R CB -0.409 29.855 30.300 -0.060 0.000 0.845 54 R HN 0.309 nan 8.270 nan 0.000 0.430 55 F N 0.974 120.992 119.950 0.113 0.000 2.025 55 F HA -0.329 4.198 4.527 -0.000 0.000 0.297 55 F C 2.964 178.803 175.800 0.065 0.000 1.132 55 F CA 2.247 60.289 58.000 0.069 0.000 1.191 55 F CB -0.773 38.247 39.000 0.035 0.000 0.963 55 F HN 0.202 nan 8.300 nan 0.000 0.481 56 S N -0.088 115.767 115.700 0.258 0.000 2.353 56 S HA -0.263 4.207 4.470 -0.000 0.000 0.222 56 S C 2.018 176.625 174.600 0.013 0.000 1.035 56 S CA 1.449 59.686 58.200 0.062 0.000 1.025 56 S CB -1.411 61.758 63.200 -0.052 0.000 0.902 56 S HN 0.201 nan 8.310 nan 0.000 0.440 57 F N 2.240 122.262 119.950 0.121 0.000 2.075 57 F HA 0.035 4.562 4.527 -0.000 0.000 0.297 57 F C 2.876 178.705 175.800 0.048 0.000 1.113 57 F CA 1.615 59.666 58.000 0.086 0.000 1.218 57 F CB -0.765 38.294 39.000 0.098 0.000 0.984 57 F HN 0.315 nan 8.300 nan 0.000 0.472 58 E N 0.255 120.598 120.200 0.237 0.000 2.085 58 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 58 E C 2.332 178.962 176.600 0.051 0.000 0.994 58 E CA 1.318 57.773 56.400 0.092 0.000 0.801 58 E CB -0.273 29.433 29.700 0.010 0.000 0.743 58 E HN 0.385 nan 8.360 nan 0.000 0.453 59 L N -0.202 121.057 121.223 0.061 0.000 2.005 59 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 59 L C 2.649 179.548 176.870 0.049 0.000 1.072 59 L CA 1.178 56.049 54.840 0.051 0.000 0.744 59 L CB -0.746 41.357 42.059 0.073 0.000 0.895 59 L HN 0.313 nan 8.230 nan 0.000 0.433 60 G N 0.322 109.146 108.800 0.041 0.000 2.503 60 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.221 60 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.221 60 G C 1.532 176.473 174.900 0.068 0.000 1.131 60 G CA 1.054 46.175 45.100 0.035 0.000 0.756 60 G HN 0.314 nan 8.290 nan 0.000 0.572 61 I N 1.274 121.901 120.570 0.095 0.000 2.202 61 I HA -0.134 4.036 4.170 -0.000 0.000 0.242 61 I C 3.278 179.430 176.117 0.058 0.000 1.091 61 I CA 1.028 62.381 61.300 0.088 0.000 1.368 61 I CB -0.232 37.820 38.000 0.087 0.000 1.058 61 I HN 0.231 nan 8.210 nan 0.000 0.410 62 A N 0.043 122.888 122.820 0.041 0.000 1.978 62 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 62 A C 2.186 179.800 177.584 0.051 0.000 1.170 62 A CA 1.553 53.616 52.037 0.043 0.000 0.636 62 A CB -0.577 18.442 19.000 0.031 0.000 0.810 62 A HN 0.526 nan 8.150 nan 0.000 0.448 63 Q N -0.806 119.024 119.800 0.051 0.000 2.451 63 Q HA 0.211 4.551 4.340 -0.000 0.000 0.206 63 Q C 1.187 177.217 176.000 0.050 0.000 0.947 63 Q CA 0.260 56.093 55.803 0.050 0.000 0.937 63 Q CB -0.021 28.749 28.738 0.053 0.000 1.025 63 Q HN 0.638 nan 8.270 nan 0.000 0.511 64 L N -1.162 120.093 121.223 0.054 0.000 2.592 64 L HA 0.210 4.550 4.340 -0.000 0.000 0.227 64 L C 1.098 177.997 176.870 0.048 0.000 1.127 64 L CA 0.417 55.288 54.840 0.051 0.000 0.884 64 L CB 0.311 42.404 42.059 0.058 0.000 1.065 64 L HN 0.407 nan 8.230 nan 0.000 0.457 65 G N -0.539 108.292 108.800 0.051 0.000 2.195 65 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.224 65 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.224 65 G C 0.559 175.496 174.900 0.061 0.000 0.990 65 G CA -0.214 44.916 45.100 0.049 0.000 0.639 65 G HN 0.478 nan 8.290 nan 0.000 0.514 66 G N -0.993 107.848 108.800 0.069 0.000 2.531 66 G HA2 0.599 4.559 3.960 -0.000 0.000 0.281 66 G HA3 0.599 4.559 3.960 -0.000 0.000 0.281 66 G C -0.561 174.418 174.900 0.131 0.000 1.382 66 G CA 0.082 45.236 45.100 0.089 0.000 1.045 66 G HN 1.061 nan 8.290 nan 0.000 0.533 67 H N -1.556 117.530 119.070 0.026 0.000 2.877 67 H HA 0.596 5.152 4.556 -0.000 0.000 0.347 67 H C -0.345 174.995 175.328 0.020 0.000 1.042 67 H CA -0.306 55.755 56.048 0.021 0.000 1.276 67 H CB 1.400 31.167 29.762 0.008 0.000 1.681 67 H HN 0.641 nan 8.280 nan 0.000 0.521 68 A N 4.492 127.065 122.820 -0.412 0.000 2.320 68 A HA 0.481 4.801 4.320 -0.000 0.000 0.287 68 A C -0.615 176.810 177.584 -0.265 0.000 1.181 68 A CA -0.621 51.277 52.037 -0.232 0.000 0.831 68 A CB 0.417 19.336 19.000 -0.135 0.000 1.102 68 A HN 0.507 nan 8.150 nan 0.000 0.513 69 V N 4.535 124.420 119.914 -0.048 0.000 2.334 69 V HA 0.194 4.314 4.120 -0.000 0.000 0.267 69 V C 0.024 176.113 176.094 -0.009 0.000 1.040 69 V CA -0.356 61.949 62.300 0.009 0.000 0.866 69 V CB 0.865 32.712 31.823 0.040 0.000 1.019 69 V HN 0.579 nan 8.190 nan 0.000 0.468 70 V N 6.579 126.501 119.914 0.013 0.000 2.406 70 V HA 0.395 4.515 4.120 -0.000 0.000 0.272 70 V C 0.144 176.290 176.094 0.087 0.000 1.043 70 V CA -0.412 61.932 62.300 0.074 0.000 0.915 70 V CB 1.518 33.407 31.823 0.109 0.000 0.988 70 V HN 0.718 nan 8.190 nan 0.000 0.466 71 V N 1.591 121.567 119.914 0.103 0.000 2.459 71 V HA 0.678 4.798 4.120 -0.000 0.000 0.295 71 V C -0.290 175.927 176.094 0.204 0.000 1.029 71 V CA -0.601 61.763 62.300 0.107 0.000 0.874 71 V CB 1.767 33.618 31.823 0.046 0.000 0.985 71 V HN 0.669 nan 8.190 nan 0.000 0.438 72 D N 3.085 123.578 120.400 0.156 0.000 2.433 72 D HA 0.305 4.945 4.640 -0.000 0.000 0.255 72 D C 1.359 177.748 176.300 0.147 0.000 1.226 72 D CA 0.518 54.610 54.000 0.154 0.000 1.015 72 D CB 1.637 42.480 40.800 0.071 0.000 1.091 72 D HN 0.909 nan 8.370 nan 0.000 0.527 73 S N -1.222 114.558 115.700 0.134 0.000 2.650 73 S HA 0.089 4.559 4.470 -0.000 0.000 0.219 73 S C 1.455 176.108 174.600 0.088 0.000 0.960 73 S CA 0.019 58.291 58.200 0.121 0.000 0.925 73 S CB -0.168 63.110 63.200 0.129 0.000 0.775 73 S HN 0.467 nan 8.310 nan 0.000 0.525 74 G N 0.535 109.378 108.800 0.071 0.000 3.181 74 G HA2 0.394 4.354 3.960 -0.000 0.000 0.219 74 G HA3 0.394 4.354 3.960 -0.000 0.000 0.219 74 G C 0.029 174.960 174.900 0.051 0.000 1.182 74 G CA -0.348 44.783 45.100 0.053 0.000 0.791 74 G HN 0.498 nan 8.290 nan 0.000 0.537 75 S N -0.874 114.862 115.700 0.061 0.000 2.638 75 S HA 0.471 4.941 4.470 -0.000 0.000 0.302 75 S C -0.108 174.528 174.600 0.060 0.000 1.096 75 S CA -0.557 57.674 58.200 0.052 0.000 0.953 75 S CB 1.481 64.709 63.200 0.046 0.000 1.107 75 S HN 0.041 nan 8.310 nan 0.000 0.503 76 T N 2.678 117.262 114.554 0.050 0.000 2.778 76 T HA 0.004 4.354 4.350 -0.000 0.000 0.282 76 T C 0.395 175.135 174.700 0.066 0.000 0.983 76 T CA 0.487 62.619 62.100 0.054 0.000 1.193 76 T CB -0.165 68.728 68.868 0.041 0.000 0.938 76 T HN 0.501 nan 8.240 nan 0.000 0.523 77 Q N 2.221 122.075 119.800 0.089 0.000 2.333 77 Q HA -0.014 4.326 4.340 -0.000 0.000 0.299 77 Q C 1.043 177.107 176.000 0.107 0.000 1.067 77 Q CA -0.567 55.307 55.803 0.119 0.000 0.943 77 Q CB 0.341 29.169 28.738 0.149 0.000 1.233 77 Q HN 0.512 nan 8.270 nan 0.000 0.401 78 L N 3.930 125.234 121.223 0.135 0.000 2.083 78 L HA -0.025 4.315 4.340 -0.000 0.000 0.209 78 L C 1.753 178.667 176.870 0.073 0.000 1.083 78 L CA 2.468 57.355 54.840 0.080 0.000 0.752 78 L CB -0.693 41.408 42.059 0.069 0.000 0.899 78 L HN 0.861 nan 8.230 nan 0.000 0.433 79 G N -2.272 106.603 108.800 0.126 0.000 3.141 79 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.218 79 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.218 79 G C 1.634 176.577 174.900 0.073 0.000 1.170 79 G CA -0.188 44.972 45.100 0.100 0.000 0.769 79 G HN 0.248 nan 8.290 nan 0.000 0.546 80 R N -0.195 120.346 120.500 0.068 0.000 2.075 80 R HA 0.057 4.397 4.340 -0.000 0.000 0.220 80 R C 1.481 177.804 176.300 0.039 0.000 1.118 80 R CA 0.848 56.981 56.100 0.056 0.000 0.986 80 R CB -0.010 30.326 30.300 0.061 0.000 0.884 80 R HN 0.102 nan 8.270 nan 0.000 0.439 81 D N 0.750 121.170 120.400 0.033 0.000 2.333 81 D HA -0.022 4.618 4.640 -0.000 0.000 0.208 81 D C -0.227 176.082 176.300 0.016 0.000 0.984 81 D CA 0.577 54.591 54.000 0.023 0.000 0.873 81 D CB 0.585 41.397 40.800 0.021 0.000 0.935 81 D HN 0.368 nan 8.370 nan 0.000 0.521 82 E N -1.709 118.499 120.200 0.014 0.000 2.401 82 E HA 0.254 4.604 4.350 -0.000 0.000 0.280 82 E C -0.567 176.036 176.600 0.006 0.000 1.039 82 E CA -0.944 55.460 56.400 0.006 0.000 0.814 82 E CB 0.679 30.377 29.700 -0.004 0.000 1.275 82 E HN -0.082 nan 8.360 nan 0.000 0.448 83 T N -0.562 113.994 114.554 0.003 0.000 2.906 83 T HA 0.077 4.427 4.350 -0.000 0.000 0.320 83 T C 1.289 175.985 174.700 -0.006 0.000 1.088 83 T CA -0.342 61.762 62.100 0.007 0.000 1.120 83 T CB 0.317 69.188 68.868 0.004 0.000 1.000 83 T HN 0.553 nan 8.240 nan 0.000 0.550 84 L N 1.067 122.295 121.223 0.008 0.000 2.201 84 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 84 L C 3.058 179.899 176.870 -0.048 0.000 1.105 84 L CA 1.116 55.947 54.840 -0.016 0.000 0.775 84 L CB -0.560 41.536 42.059 0.062 0.000 0.913 84 L HN 0.701 nan 8.230 nan 0.000 0.440 85 Q N 0.000 119.786 119.800 -0.024 0.000 2.020 85 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 85 Q C 1.887 177.859 176.000 -0.046 0.000 0.982 85 Q CA 1.697 57.482 55.803 -0.030 0.000 0.838 85 Q CB -0.236 28.493 28.738 -0.015 0.000 0.899 85 Q HN 0.338 nan 8.270 nan 0.000 0.423 86 D N -0.698 119.678 120.400 -0.041 0.000 2.092 86 D HA -0.135 4.505 4.640 -0.000 0.000 0.193 86 D C 1.847 178.108 176.300 -0.066 0.000 0.994 86 D CA 1.681 55.653 54.000 -0.046 0.000 0.828 86 D CB -0.465 40.316 40.800 -0.032 0.000 0.963 86 D HN 0.198 nan 8.370 nan 0.000 0.450 87 T N 0.447 114.954 114.554 -0.078 0.000 2.684 87 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 87 T C 1.932 176.553 174.700 -0.132 0.000 1.036 87 T CA 1.663 63.700 62.100 -0.106 0.000 1.148 87 T CB -0.404 68.380 68.868 -0.141 0.000 0.863 87 T HN 0.213 nan 8.240 nan 0.000 0.436 88 A N 1.778 124.514 122.820 -0.140 0.000 1.892 88 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 88 A C 2.274 179.796 177.584 -0.103 0.000 1.188 88 A CA 1.663 53.621 52.037 -0.131 0.000 0.631 88 A CB -0.433 18.504 19.000 -0.105 0.000 0.822 88 A HN 0.413 nan 8.150 nan 0.000 0.447 89 K N -0.592 119.754 120.400 -0.090 0.000 2.148 89 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 89 K C 1.972 178.492 176.600 -0.133 0.000 1.050 89 K CA 1.256 57.489 56.287 -0.090 0.000 0.942 89 K CB -0.347 32.110 32.500 -0.072 0.000 0.724 89 K HN 0.365 nan 8.250 nan 0.000 0.446 90 V N 2.100 121.925 119.914 -0.148 0.000 2.255 90 V HA -0.217 3.903 4.120 -0.000 0.000 0.243 90 V C 2.349 178.260 176.094 -0.305 0.000 1.038 90 V CA 1.395 63.554 62.300 -0.234 0.000 1.008 90 V CB -0.425 31.307 31.823 -0.152 0.000 0.645 90 V HN 0.261 nan 8.190 nan 0.000 0.449 91 L N 0.093 121.228 121.223 -0.147 0.000 2.103 91 L HA -0.269 4.071 4.340 -0.000 0.000 0.215 91 L C 2.556 179.376 176.870 -0.084 0.000 1.080 91 L CA 1.827 56.631 54.840 -0.061 0.000 0.764 91 L CB -0.780 41.235 42.059 -0.074 0.000 0.890 91 L HN 0.338 nan 8.230 nan 0.000 0.435 92 S N -0.858 114.774 115.700 -0.115 0.000 2.419 92 S HA -0.109 4.361 4.470 -0.000 0.000 0.233 92 S C 1.973 176.510 174.600 -0.105 0.000 1.016 92 S CA 0.914 59.063 58.200 -0.085 0.000 0.974 92 S CB -0.117 63.039 63.200 -0.073 0.000 0.786 92 S HN 0.348 nan 8.310 nan 0.000 0.492 93 R N -0.234 120.138 120.500 -0.215 0.000 2.161 93 R HA 0.143 4.483 4.340 -0.000 0.000 0.213 93 R C 1.314 177.533 176.300 -0.135 0.000 1.055 93 R CA 0.846 56.806 56.100 -0.234 0.000 0.996 93 R CB -0.574 29.493 30.300 -0.389 0.000 0.901 93 R HN 0.479 nan 8.270 nan 0.000 0.456 94 Y N -0.303 119.983 120.300 -0.023 0.000 2.476 94 Y HA 0.116 4.666 4.550 -0.000 0.000 0.283 94 Y C 1.238 177.130 175.900 -0.013 0.000 1.109 94 Y CA -0.636 57.453 58.100 -0.018 0.000 1.246 94 Y CB 0.084 38.531 38.460 -0.022 0.000 1.068 94 Y HN -0.238 nan 8.280 nan 0.000 0.552 95 V N -3.454 116.537 119.914 0.129 0.000 3.074 95 V HA 0.529 4.649 4.120 -0.000 0.000 0.314 95 V C -0.282 175.835 176.094 0.039 0.000 1.117 95 V CA -0.872 61.474 62.300 0.077 0.000 1.014 95 V CB 2.327 34.185 31.823 0.058 0.000 1.057 95 V HN -0.172 nan 8.190 nan 0.000 0.438 96 D N 1.174 121.594 120.400 0.033 0.000 2.349 96 D HA 0.626 5.266 4.640 -0.000 0.000 0.214 96 D C 0.457 176.769 176.300 0.019 0.000 1.063 96 D CA 1.331 55.343 54.000 0.021 0.000 0.847 96 D CB 1.148 41.961 40.800 0.021 0.000 0.933 96 D HN 1.092 nan 8.370 nan 0.000 0.513 97 A N 0.002 122.834 122.820 0.020 0.000 2.608 97 A HA 0.653 4.973 4.320 -0.000 0.000 0.292 97 A C -1.660 175.920 177.584 -0.006 0.000 1.066 97 A CA -0.627 51.423 52.037 0.021 0.000 0.676 97 A CB 1.020 20.042 19.000 0.036 0.000 1.277 97 A HN 0.011 nan 8.150 nan 0.000 0.413 98 I N 1.383 121.947 120.570 -0.010 0.000 2.439 98 I HA 0.429 4.599 4.170 -0.000 0.000 0.285 98 I C -1.029 175.042 176.117 -0.076 0.000 1.021 98 I CA -0.836 60.427 61.300 -0.062 0.000 1.091 98 I CB 1.952 39.909 38.000 -0.071 0.000 1.242 98 I HN 0.326 nan 8.210 nan 0.000 0.439 99 V N 6.015 125.821 119.914 -0.180 0.000 2.357 99 V HA 0.382 4.502 4.120 -0.000 0.000 0.284 99 V C -1.137 174.815 176.094 -0.236 0.000 1.018 99 V CA -0.405 61.710 62.300 -0.308 0.000 0.841 99 V CB 1.715 33.134 31.823 -0.674 0.000 0.991 99 V HN 0.595 nan 8.190 nan 0.000 0.437 100 W N 6.424 127.514 121.300 -0.351 0.000 2.781 100 W HA 0.553 5.213 4.660 -0.000 0.000 0.333 100 W C -0.513 175.826 176.519 -0.299 0.000 1.047 100 W CA -1.276 55.875 57.345 -0.324 0.000 1.236 100 W CB 1.497 30.832 29.460 -0.208 0.000 1.394 100 W HN 0.350 nan 8.180 nan 0.000 0.466 101 R N 4.278 124.659 120.500 -0.199 0.000 2.229 101 R HA 0.554 4.894 4.340 -0.000 0.000 0.328 101 R C -0.653 175.308 176.300 -0.565 0.000 1.009 101 R CA 0.390 56.324 56.100 -0.276 0.000 0.864 101 R CB 1.447 31.718 30.300 -0.049 0.000 1.085 101 R HN 0.674 nan 8.270 nan 0.000 0.453 102 T N 2.048 116.148 114.554 -0.756 0.000 2.645 102 T HA 0.472 4.822 4.350 -0.000 0.000 0.300 102 T C -0.066 174.185 174.700 -0.748 0.000 1.210 102 T CA -0.422 61.022 62.100 -1.094 0.000 1.034 102 T CB 0.507 68.297 68.868 -1.798 0.000 1.537 102 T HN 0.238 nan 8.240 nan 0.000 0.492 103 F N 0.992 120.743 119.950 -0.331 0.000 2.384 103 F HA 0.553 5.080 4.527 -0.000 0.000 0.244 103 F C 1.947 177.636 175.800 -0.185 0.000 1.105 103 F CA 0.307 58.189 58.000 -0.196 0.000 1.005 103 F CB -0.957 37.968 39.000 -0.125 0.000 1.097 103 F HN 0.649 nan 8.300 nan 0.000 0.619 104 G N -0.065 108.779 108.800 0.073 0.000 2.442 104 G HA2 0.213 4.173 3.960 -0.000 0.000 0.249 104 G HA3 0.213 4.173 3.960 -0.000 0.000 0.249 104 G C 0.389 175.255 174.900 -0.056 0.000 1.263 104 G CA -0.211 44.889 45.100 -0.000 0.000 0.846 104 G HN 0.218 nan 8.290 nan 0.000 0.555 105 Q N 0.391 120.176 119.800 -0.026 0.000 2.197 105 Q HA -0.160 4.180 4.340 -0.000 0.000 0.207 105 Q C 2.611 178.606 176.000 -0.007 0.000 0.984 105 Q CA 1.979 57.784 55.803 0.004 0.000 0.869 105 Q CB -0.008 28.782 28.738 0.086 0.000 0.906 105 Q HN 0.845 nan 8.270 nan 0.000 0.426 106 E N -0.184 120.015 120.200 -0.001 0.000 2.204 106 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 106 E C 1.655 178.272 176.600 0.027 0.000 0.990 106 E CA 1.136 57.544 56.400 0.014 0.000 0.821 106 E CB -0.329 29.382 29.700 0.019 0.000 0.750 106 E HN 0.389 nan 8.360 nan 0.000 0.477 107 R N 0.352 120.853 120.500 0.001 0.000 2.075 107 R HA 0.070 4.410 4.340 -0.000 0.000 0.232 107 R C 2.764 179.159 176.300 0.158 0.000 1.126 107 R CA 1.167 57.301 56.100 0.057 0.000 0.963 107 R CB -0.337 29.902 30.300 -0.100 0.000 0.858 107 R HN 0.170 nan 8.270 nan 0.000 0.435 108 L N 0.652 121.873 121.223 -0.003 0.000 2.046 108 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 108 L C 1.759 178.679 176.870 0.083 0.000 1.077 108 L CA 1.221 56.116 54.840 0.092 0.000 0.747 108 L CB -0.355 41.689 42.059 -0.024 0.000 0.896 108 L HN 0.198 nan 8.230 nan 0.000 0.432 109 D N -0.075 120.342 120.400 0.028 0.000 2.178 109 D HA -0.133 4.507 4.640 -0.000 0.000 0.202 109 D C 2.187 178.492 176.300 0.008 0.000 0.974 109 D CA 1.368 55.363 54.000 -0.007 0.000 0.841 109 D CB 0.089 40.886 40.800 -0.005 0.000 0.953 109 D HN 0.331 nan 8.370 nan 0.000 0.478 110 A N 1.084 123.936 122.820 0.054 0.000 1.877 110 A HA -0.190 4.129 4.320 -0.000 0.000 0.216 110 A C 2.206 179.813 177.584 0.038 0.000 1.186 110 A CA 1.721 53.790 52.037 0.053 0.000 0.620 110 A CB -0.549 18.500 19.000 0.083 0.000 0.822 110 A HN 0.175 nan 8.150 nan 0.000 0.443 111 M N 0.014 119.662 119.600 0.080 0.000 2.117 111 M HA -0.012 4.468 4.480 -0.000 0.000 0.262 111 M C 1.871 178.144 176.300 -0.044 0.000 1.065 111 M CA 1.953 57.259 55.300 0.010 0.000 1.114 111 M CB -0.260 32.373 32.600 0.056 0.000 1.361 111 M HN 0.324 nan 8.290 nan 0.000 0.408 112 A N -1.084 121.678 122.820 -0.097 0.000 2.251 112 A HA 0.108 4.428 4.320 -0.000 0.000 0.209 112 A C 2.028 179.487 177.584 -0.208 0.000 1.187 112 A CA 0.840 52.688 52.037 -0.316 0.000 0.823 112 A CB -0.935 17.688 19.000 -0.628 0.000 0.846 112 A HN 0.663 nan 8.150 nan 0.000 0.486 113 S N -0.422 115.230 115.700 -0.080 0.000 2.461 113 S HA -0.027 4.443 4.470 -0.000 0.000 0.228 113 S C 1.257 175.858 174.600 0.002 0.000 1.005 113 S CA 1.238 59.422 58.200 -0.026 0.000 0.942 113 S CB -0.400 62.793 63.200 -0.011 0.000 0.776 113 S HN 1.077 nan 8.310 nan 0.000 0.514 114 V N -2.946 116.966 119.914 -0.002 0.000 3.398 114 V HA 0.695 4.815 4.120 -0.000 0.000 0.298 114 V C 0.618 176.720 176.094 0.013 0.000 1.496 114 V CA -0.344 61.959 62.300 0.006 0.000 1.044 114 V CB -0.551 31.266 31.823 -0.010 0.000 0.880 114 V HN 0.517 nan 8.190 nan 0.000 0.443 115 A N 1.711 124.550 122.820 0.031 0.000 2.462 115 A HA 0.493 4.813 4.320 -0.000 0.000 0.243 115 A C 1.228 178.855 177.584 0.071 0.000 1.076 115 A CA 0.765 52.831 52.037 0.048 0.000 0.773 115 A CB 0.258 19.311 19.000 0.089 0.000 1.010 115 A HN 0.872 nan 8.150 nan 0.000 0.493 116 T N -0.955 113.616 114.554 0.028 0.000 3.163 116 T HA 0.380 4.730 4.350 -0.000 0.000 0.252 116 T C 0.287 174.992 174.700 0.008 0.000 1.056 116 T CA 0.437 62.546 62.100 0.014 0.000 0.947 116 T CB -1.334 67.528 68.868 -0.010 0.000 1.016 116 T HN 1.465 nan 8.240 nan 0.000 0.554 117 V N -3.219 116.714 119.914 0.031 0.000 3.078 117 V HA 0.755 4.875 4.120 -0.000 0.000 0.311 117 V C -3.313 172.815 176.094 0.056 0.000 1.138 117 V CA -3.379 58.931 62.300 0.017 0.000 1.007 117 V CB 1.819 33.650 31.823 0.013 0.000 1.045 117 V HN -0.195 nan 8.190 nan 0.000 0.432 118 P HA 0.261 nan 4.420 nan 0.000 0.266 118 P C -0.690 176.744 177.300 0.224 0.000 1.195 118 P CA 0.142 63.260 63.100 0.030 0.000 0.768 118 P CB 0.688 32.398 31.700 0.017 0.000 0.838 119 V N 4.947 125.156 119.914 0.492 0.000 2.459 119 V HA 0.393 4.513 4.120 -0.000 0.000 0.295 119 V C 0.232 176.485 176.094 0.264 0.000 1.029 119 V CA -0.364 62.108 62.300 0.287 0.000 0.874 119 V CB 1.466 33.389 31.823 0.168 0.000 0.985 119 V HN 0.336 nan 8.190 nan 0.000 0.438 120 I N 3.825 124.499 120.570 0.174 0.000 2.436 120 I HA 0.372 4.542 4.170 -0.000 0.000 0.289 120 I C 0.071 176.267 176.117 0.132 0.000 1.010 120 I CA -0.406 61.014 61.300 0.201 0.000 1.098 120 I CB 1.834 39.932 38.000 0.164 0.000 1.266 120 I HN 0.487 nan 8.210 nan 0.000 0.434 121 N N 4.670 123.458 118.700 0.148 0.000 2.406 121 N HA 0.190 4.930 4.740 -0.000 0.000 0.265 121 N C 0.827 176.421 175.510 0.140 0.000 1.203 121 N CA 0.279 53.377 53.050 0.079 0.000 0.945 121 N CB 1.285 39.792 38.487 0.033 0.000 1.165 121 N HN 0.772 nan 8.380 nan 0.000 0.485 122 A N 3.564 126.410 122.820 0.044 0.000 1.969 122 A HA 0.128 4.448 4.320 -0.000 0.000 0.218 122 A C 0.496 178.194 177.584 0.190 0.000 1.169 122 A CA 0.985 53.103 52.037 0.135 0.000 0.635 122 A CB -0.181 18.776 19.000 -0.073 0.000 0.810 122 A HN 0.726 nan 8.150 nan 0.000 0.445 123 L N -1.985 119.232 121.223 -0.010 0.000 3.355 123 L HA 0.461 4.801 4.340 -0.000 0.000 0.251 123 L C -0.768 175.993 176.870 -0.182 0.000 0.980 123 L CA 0.498 55.193 54.840 -0.241 0.000 1.051 123 L CB 0.665 42.496 42.059 -0.379 0.000 1.710 123 L HN 0.463 nan 8.230 nan 0.000 0.469 124 S N 1.419 117.028 115.700 -0.151 0.000 2.720 124 S HA 0.635 5.105 4.470 -0.000 0.000 0.287 124 S C -0.016 174.539 174.600 -0.075 0.000 1.168 124 S CA -0.197 57.928 58.200 -0.125 0.000 0.832 124 S CB 1.536 64.673 63.200 -0.106 0.000 1.166 124 S HN 0.641 nan 8.310 nan 0.000 0.493 125 D N 0.740 121.120 120.400 -0.033 0.000 2.263 125 D HA 0.019 4.659 4.640 -0.000 0.000 0.208 125 D C 1.342 177.582 176.300 -0.099 0.000 0.971 125 D CA 1.338 55.325 54.000 -0.022 0.000 0.867 125 D CB 0.096 40.908 40.800 0.021 0.000 0.929 125 D HN 0.705 nan 8.370 nan 0.000 0.492 126 E N -1.473 118.613 120.200 -0.190 0.000 2.391 126 E HA 0.128 4.478 4.350 -0.000 0.000 0.206 126 E C -0.028 176.097 176.600 -0.791 0.000 0.851 126 E CA 0.193 56.318 56.400 -0.458 0.000 1.059 126 E CB 0.745 30.071 29.700 -0.623 0.000 1.065 126 E HN 0.147 nan 8.360 nan 0.000 0.512 127 F N -0.250 119.729 119.950 0.048 0.000 2.613 127 F HA 0.406 4.933 4.527 -0.000 0.000 0.314 127 F C 0.042 175.877 175.800 0.059 0.000 1.075 127 F CA -1.095 56.932 58.000 0.045 0.000 0.945 127 F CB 1.449 40.437 39.000 -0.020 0.000 1.310 127 F HN -0.104 nan 8.300 nan 0.000 0.467 128 H N 2.822 121.995 119.070 0.172 0.000 2.439 128 H HA 0.353 4.909 4.556 -0.000 0.000 0.230 128 H C -2.277 173.122 175.328 0.118 0.000 1.420 128 H CA -3.034 53.084 56.048 0.116 0.000 1.305 128 H CB 0.731 30.534 29.762 0.067 0.000 1.667 128 H HN 0.167 nan 8.280 nan 0.000 0.515 129 P HA -0.069 nan 4.420 nan 0.000 0.226 129 P C 1.159 178.653 177.300 0.322 0.000 1.153 129 P CA 0.608 63.817 63.100 0.181 0.000 0.777 129 P CB 0.211 31.819 31.700 -0.154 0.000 0.794 130 C N -0.977 118.539 119.300 0.361 0.000 2.485 130 C HA 0.013 4.473 4.460 -0.000 0.000 0.277 130 C C 2.874 177.879 174.990 0.024 0.000 1.376 130 C CA 0.612 59.785 59.018 0.257 0.000 1.759 130 C CB -1.567 26.369 27.740 0.327 0.000 1.970 130 C HN 0.214 nan 8.230 nan 0.000 0.509 131 Q N 1.251 120.941 119.800 -0.185 0.000 2.119 131 Q HA -0.082 4.258 4.340 -0.000 0.000 0.201 131 Q C 1.995 177.898 176.000 -0.161 0.000 0.972 131 Q CA 1.819 57.407 55.803 -0.358 0.000 0.847 131 Q CB -0.386 27.808 28.738 -0.906 0.000 0.903 131 Q HN 0.432 nan 8.270 nan 0.000 0.433 132 V N 0.399 120.263 119.914 -0.084 0.000 2.548 132 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 132 V C 2.226 178.317 176.094 -0.006 0.000 1.055 132 V CA 1.242 63.524 62.300 -0.030 0.000 1.065 132 V CB -0.459 31.363 31.823 -0.001 0.000 0.681 132 V HN 0.371 nan 8.190 nan 0.000 0.462 133 L N 0.099 121.334 121.223 0.020 0.000 2.017 133 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 133 L C 2.734 179.590 176.870 -0.024 0.000 1.073 133 L CA 1.736 56.575 54.840 -0.002 0.000 0.745 133 L CB -0.755 41.297 42.059 -0.013 0.000 0.894 133 L HN 0.376 nan 8.230 nan 0.000 0.432 134 A N -0.303 122.496 122.820 -0.034 0.000 1.933 134 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 134 A C 1.865 179.435 177.584 -0.023 0.000 1.175 134 A CA 1.984 54.002 52.037 -0.032 0.000 0.628 134 A CB -0.491 18.477 19.000 -0.052 0.000 0.814 134 A HN 0.360 nan 8.150 nan 0.000 0.444 135 D N 0.085 120.465 120.400 -0.032 0.000 2.117 135 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 135 D C 1.863 178.155 176.300 -0.012 0.000 0.987 135 D CA 1.063 55.050 54.000 -0.023 0.000 0.829 135 D CB -0.330 40.453 40.800 -0.027 0.000 0.961 135 D HN 0.461 nan 8.370 nan 0.000 0.460 136 L N 0.357 121.572 121.223 -0.014 0.000 2.217 136 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 136 L C 2.515 179.378 176.870 -0.012 0.000 1.107 136 L CA 0.767 55.599 54.840 -0.014 0.000 0.783 136 L CB -0.327 41.720 42.059 -0.019 0.000 0.919 136 L HN 0.037 nan 8.230 nan 0.000 0.442 137 Q N 0.020 119.814 119.800 -0.011 0.000 2.079 137 Q HA -0.215 4.125 4.340 -0.000 0.000 0.200 137 Q C 2.246 178.248 176.000 0.003 0.000 0.974 137 Q CA 2.198 57.998 55.803 -0.004 0.000 0.840 137 Q CB 0.000 28.742 28.738 0.007 0.000 0.898 137 Q HN 0.522 nan 8.270 nan 0.000 0.430 138 T N -1.413 113.146 114.554 0.007 0.000 2.942 138 T HA -0.022 4.328 4.350 -0.000 0.000 0.265 138 T C 1.826 176.530 174.700 0.006 0.000 1.062 138 T CA 0.822 62.929 62.100 0.011 0.000 1.139 138 T CB -0.289 68.586 68.868 0.012 0.000 0.883 138 T HN 0.321 nan 8.240 nan 0.000 0.468 139 I N 2.043 122.615 120.570 0.003 0.000 2.163 139 I HA -0.093 4.077 4.170 -0.000 0.000 0.243 139 I C 3.175 179.293 176.117 0.002 0.000 1.085 139 I CA 1.387 62.689 61.300 0.004 0.000 1.347 139 I CB -0.551 37.452 38.000 0.005 0.000 1.044 139 I HN 0.373 nan 8.210 nan 0.000 0.408 140 A N 0.860 123.679 122.820 -0.002 0.000 2.019 140 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 140 A C 2.144 179.726 177.584 -0.003 0.000 1.164 140 A CA 1.746 53.781 52.037 -0.004 0.000 0.644 140 A CB -0.679 18.314 19.000 -0.010 0.000 0.805 140 A HN 0.676 nan 8.150 nan 0.000 0.449 141 E N -1.141 119.059 120.200 -0.000 0.000 2.442 141 E HA -0.012 4.338 4.350 -0.000 0.000 0.195 141 E C 1.636 178.239 176.600 0.004 0.000 1.030 141 E CA 0.032 56.432 56.400 -0.000 0.000 0.869 141 E CB -0.039 29.660 29.700 -0.001 0.000 0.857 141 E HN 0.471 nan 8.360 nan 0.000 0.505 142 R N 1.040 121.543 120.500 0.006 0.000 2.146 142 R HA 0.142 4.482 4.340 -0.000 0.000 0.206 142 R C 1.387 177.692 176.300 0.008 0.000 1.049 142 R CA 0.655 56.759 56.100 0.008 0.000 1.029 142 R CB 0.209 30.514 30.300 0.009 0.000 0.949 142 R HN 0.131 nan 8.270 nan 0.000 0.471 143 K N 0.189 120.593 120.400 0.007 0.000 2.469 143 K HA 0.278 4.598 4.320 -0.000 0.000 0.204 143 K C 0.736 177.340 176.600 0.006 0.000 1.047 143 K CA 0.445 56.737 56.287 0.009 0.000 1.072 143 K CB 1.656 34.163 32.500 0.012 0.000 0.863 143 K HN 0.201 nan 8.250 nan 0.000 0.530 144 G N 2.606 111.407 108.800 0.003 0.000 2.550 144 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.277 144 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.277 144 G C 0.055 174.954 174.900 -0.001 0.000 1.190 144 G CA -0.156 44.944 45.100 0.001 0.000 0.971 144 G HN 0.525 nan 8.290 nan 0.000 0.559 145 A N -0.685 122.134 122.820 -0.001 0.000 2.603 145 A HA 0.394 4.714 4.320 -0.000 0.000 0.235 145 A C 1.482 179.062 177.584 -0.005 0.000 1.035 145 A CA 1.090 53.125 52.037 -0.004 0.000 0.755 145 A CB 0.235 19.234 19.000 -0.001 0.000 0.954 145 A HN 1.459 nan 8.150 nan 0.000 0.511 146 L N 1.960 123.175 121.223 -0.013 0.000 2.162 146 L HA 0.089 4.429 4.340 -0.000 0.000 0.205 146 L C 1.842 178.695 176.870 -0.029 0.000 1.086 146 L CA 1.219 56.048 54.840 -0.019 0.000 0.778 146 L CB -0.701 41.343 42.059 -0.025 0.000 0.928 146 L HN 0.816 nan 8.230 nan 0.000 0.446 147 R N -0.229 120.252 120.500 -0.032 0.000 2.446 147 R HA 0.287 4.627 4.340 -0.000 0.000 0.314 147 R C 0.859 177.137 176.300 -0.037 0.000 1.003 147 R CA 1.043 57.114 56.100 -0.048 0.000 1.018 147 R CB -0.163 30.116 30.300 -0.035 0.000 0.945 147 R HN 0.433 nan 8.270 nan 0.000 0.419 148 G N 3.685 112.440 108.800 -0.076 0.000 2.238 148 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 148 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 148 G C 0.157 175.106 174.900 0.082 0.000 0.996 148 G CA -0.096 45.004 45.100 -0.000 0.000 0.632 148 G HN 0.510 nan 8.290 nan 0.000 0.503 149 L N 1.078 122.324 121.223 0.038 0.000 2.473 149 L HA 0.484 4.824 4.340 -0.000 0.000 0.268 149 L C 0.998 177.941 176.870 0.122 0.000 1.215 149 L CA -0.310 54.573 54.840 0.071 0.000 0.823 149 L CB 0.247 42.329 42.059 0.038 0.000 1.099 149 L HN 0.137 nan 8.230 nan 0.000 0.483 150 R N 2.672 123.246 120.500 0.123 0.000 2.295 150 R HA 0.588 4.928 4.340 -0.000 0.000 0.324 150 R C -0.979 175.380 176.300 0.098 0.000 0.968 150 R CA -0.651 55.530 56.100 0.136 0.000 0.837 150 R CB 1.551 31.914 30.300 0.105 0.000 1.133 150 R HN 0.483 nan 8.270 nan 0.000 0.450 151 L N 1.545 122.822 121.223 0.091 0.000 2.362 151 L HA 0.470 4.809 4.340 -0.000 0.000 0.275 151 L C -0.955 175.953 176.870 0.062 0.000 0.998 151 L CA -0.306 54.581 54.840 0.078 0.000 0.820 151 L CB 2.065 44.161 42.059 0.062 0.000 1.270 151 L HN 0.583 nan 8.230 nan 0.000 0.415 152 S N 3.464 119.204 115.700 0.066 0.000 2.482 152 S HA 0.480 4.949 4.470 -0.000 0.000 0.303 152 S C -1.427 173.135 174.600 -0.063 0.000 1.091 152 S CA -0.366 57.788 58.200 -0.076 0.000 1.057 152 S CB 1.448 64.544 63.200 -0.173 0.000 1.031 152 S HN 0.536 nan 8.310 nan 0.000 0.485 153 Y N 2.529 122.635 120.300 -0.323 0.000 2.377 153 Y HA 0.716 5.265 4.550 -0.000 0.000 0.339 153 Y C -1.758 173.903 175.900 -0.398 0.000 1.011 153 Y CA -1.294 56.693 58.100 -0.189 0.000 1.093 153 Y CB 0.645 39.044 38.460 -0.101 0.000 1.201 153 Y HN 0.566 nan 8.280 nan 0.000 0.455 154 F N 4.000 123.527 119.950 -0.705 0.000 2.532 154 F HA 0.782 5.309 4.527 -0.000 0.000 0.321 154 F C 0.683 176.053 175.800 -0.716 0.000 1.089 154 F CA 0.034 57.762 58.000 -0.454 0.000 0.926 154 F CB 2.013 40.967 39.000 -0.077 0.000 1.168 154 F HN 0.832 nan 8.300 nan 0.000 0.459 155 G N 1.637 110.287 108.800 -0.249 0.000 2.301 155 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.194 155 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.194 155 G C -1.442 173.349 174.900 -0.182 0.000 1.266 155 G CA -0.892 44.117 45.100 -0.152 0.000 1.210 155 G HN 0.668 nan 8.290 nan 0.000 0.524 156 D N 1.815 122.135 120.400 -0.134 0.000 2.349 156 D HA 0.439 5.079 4.640 -0.000 0.000 0.266 156 D C 1.566 177.965 176.300 0.164 0.000 1.293 156 D CA 0.991 54.968 54.000 -0.037 0.000 0.926 156 D CB 0.472 41.178 40.800 -0.158 0.000 1.090 156 D HN 0.939 nan 8.370 nan 0.000 0.502 157 G N 2.711 111.611 108.800 0.166 0.000 2.848 157 G HA2 0.086 4.046 3.960 -0.000 0.000 0.208 157 G HA3 0.086 4.046 3.960 -0.000 0.000 0.208 157 G C 0.972 175.896 174.900 0.040 0.000 1.152 157 G CA 0.422 45.615 45.100 0.154 0.000 0.789 157 G HN 0.550 nan 8.290 nan 0.000 0.531 158 A N 0.494 123.341 122.820 0.044 0.000 2.390 158 A HA 0.265 4.585 4.320 -0.000 0.000 0.232 158 A C 1.055 178.476 177.584 -0.272 0.000 1.233 158 A CA -0.239 51.766 52.037 -0.053 0.000 0.907 158 A CB -0.107 18.955 19.000 0.103 0.000 0.967 158 A HN 0.425 nan 8.150 nan 0.000 0.512 159 N N 0.306 118.843 118.700 -0.271 0.000 2.458 159 N HA 0.027 4.767 4.740 -0.000 0.000 0.271 159 N C 0.487 175.728 175.510 -0.448 0.000 1.210 159 N CA 0.095 52.986 53.050 -0.265 0.000 0.978 159 N CB 0.129 38.556 38.487 -0.099 0.000 1.206 159 N HN 0.104 nan 8.380 nan 0.000 0.536 160 N N 0.605 119.157 118.700 -0.247 0.000 2.137 160 N HA -0.223 4.517 4.740 -0.000 0.000 0.190 160 N C 1.245 176.691 175.510 -0.107 0.000 1.017 160 N CA 1.649 54.607 53.050 -0.154 0.000 0.859 160 N CB -0.478 37.980 38.487 -0.049 0.000 1.002 160 N HN 0.445 nan 8.380 nan 0.000 0.428 161 M N 0.540 120.053 119.600 -0.145 0.000 2.117 161 M HA 0.076 4.556 4.480 -0.000 0.000 0.262 161 M C 2.237 178.268 176.300 -0.448 0.000 1.065 161 M CA 1.513 56.681 55.300 -0.220 0.000 1.114 161 M CB -1.434 31.039 32.600 -0.212 0.000 1.361 161 M HN 0.413 nan 8.290 nan 0.000 0.408 162 A N -0.610 121.819 122.820 -0.651 0.000 1.873 162 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 162 A C 1.915 179.368 177.584 -0.218 0.000 1.186 162 A CA 1.536 53.181 52.037 -0.653 0.000 0.616 162 A CB -0.996 17.707 19.000 -0.495 0.000 0.823 162 A HN 0.466 nan 8.150 nan 0.000 0.442 163 H N 0.253 119.243 119.070 -0.132 0.000 2.289 163 H HA -0.120 4.436 4.556 -0.000 0.000 0.294 163 H C 2.572 177.946 175.328 0.077 0.000 1.095 163 H CA 1.755 57.798 56.048 -0.008 0.000 1.256 163 H CB -0.862 28.863 29.762 -0.061 0.000 1.359 163 H HN 0.441 nan 8.280 nan 0.000 0.487 164 S N 0.107 115.930 115.700 0.204 0.000 2.368 164 S HA -0.049 4.421 4.470 -0.000 0.000 0.224 164 S C 2.516 177.133 174.600 0.029 0.000 1.029 164 S CA 0.673 58.958 58.200 0.141 0.000 0.988 164 S CB -0.232 63.052 63.200 0.140 0.000 0.838 164 S HN 0.181 nan 8.310 nan 0.000 0.462 165 L N 1.045 122.238 121.223 -0.051 0.000 2.046 165 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 165 L C 2.227 179.082 176.870 -0.025 0.000 1.077 165 L CA 0.898 55.701 54.840 -0.062 0.000 0.747 165 L CB -0.509 41.473 42.059 -0.129 0.000 0.896 165 L HN 0.281 nan 8.230 nan 0.000 0.432 166 L N -0.704 120.511 121.223 -0.015 0.000 1.956 166 L HA -0.301 4.039 4.340 -0.000 0.000 0.216 166 L C 2.509 179.392 176.870 0.021 0.000 1.073 166 L CA 1.631 56.483 54.840 0.019 0.000 0.762 166 L CB -0.502 41.588 42.059 0.052 0.000 0.889 166 L HN 0.248 nan 8.230 nan 0.000 0.433 167 L N -0.981 120.264 121.223 0.037 0.000 2.027 167 L HA -0.139 4.201 4.340 -0.000 0.000 0.206 167 L C 2.619 179.481 176.870 -0.013 0.000 1.074 167 L CA 1.454 56.297 54.840 0.006 0.000 0.745 167 L CB -1.054 40.996 42.059 -0.014 0.000 0.898 167 L HN 0.360 nan 8.230 nan 0.000 0.433 168 G N -0.612 108.186 108.800 -0.005 0.000 2.402 168 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 168 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 168 G C 1.566 176.458 174.900 -0.014 0.000 1.162 168 G CA 0.683 45.780 45.100 -0.005 0.000 0.777 168 G HN 0.482 nan 8.290 nan 0.000 0.539 169 G N 0.812 109.604 108.800 -0.013 0.000 2.459 169 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 169 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 169 G C 1.998 176.876 174.900 -0.037 0.000 1.183 169 G CA 2.417 47.505 45.100 -0.020 0.000 0.776 169 G HN 0.835 nan 8.290 nan 0.000 0.552 170 V N -1.345 118.551 119.914 -0.031 0.000 2.427 170 V HA -0.104 4.016 4.120 -0.000 0.000 0.248 170 V C 2.630 178.696 176.094 -0.045 0.000 1.051 170 V CA 2.549 64.823 62.300 -0.043 0.000 1.048 170 V CB -1.401 30.409 31.823 -0.022 0.000 0.666 170 V HN 0.271 nan 8.190 nan 0.000 0.456 171 T N 1.808 116.341 114.554 -0.035 0.000 2.624 171 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 171 T C 1.929 176.603 174.700 -0.043 0.000 1.041 171 T CA 2.606 64.684 62.100 -0.036 0.000 1.159 171 T CB -0.706 68.143 68.868 -0.032 0.000 0.863 171 T HN 0.832 nan 8.240 nan 0.000 0.434 172 A N 0.063 122.856 122.820 -0.045 0.000 2.235 172 A HA 0.479 4.799 4.320 -0.000 0.000 0.208 172 A C 1.915 179.460 177.584 -0.064 0.000 1.172 172 A CA 1.020 53.027 52.037 -0.050 0.000 0.786 172 A CB -0.774 18.200 19.000 -0.043 0.000 0.804 172 A HN 0.907 nan 8.150 nan 0.000 0.479 173 G N -1.040 107.710 108.800 -0.083 0.000 2.141 173 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.242 173 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.242 173 G C 0.081 174.854 174.900 -0.211 0.000 0.982 173 G CA 0.184 45.207 45.100 -0.129 0.000 0.662 173 G HN 0.459 nan 8.290 nan 0.000 0.527 174 I N 0.696 121.170 120.570 -0.160 0.000 2.472 174 I HA 0.287 4.457 4.170 -0.000 0.000 0.290 174 I C 0.706 176.706 176.117 -0.195 0.000 1.016 174 I CA -0.886 60.319 61.300 -0.159 0.000 1.348 174 I CB 0.654 38.621 38.000 -0.054 0.000 1.417 174 I HN 0.109 nan 8.210 nan 0.000 0.521 175 H N 4.324 123.400 119.070 0.011 0.000 2.934 175 H HA 0.261 4.817 4.556 -0.000 0.000 0.273 175 H C -0.558 174.777 175.328 0.012 0.000 1.121 175 H CA -0.366 55.689 56.048 0.012 0.000 1.451 175 H CB 0.442 30.213 29.762 0.014 0.000 1.469 175 H HN 0.216 nan 8.280 nan 0.000 0.476 176 V N 4.209 124.186 119.914 0.104 0.000 2.439 176 V HA 0.252 4.372 4.120 -0.000 0.000 0.282 176 V C 0.436 176.560 176.094 0.051 0.000 1.039 176 V CA -0.425 61.910 62.300 0.059 0.000 0.913 176 V CB 1.684 33.525 31.823 0.031 0.000 0.983 176 V HN 0.774 nan 8.190 nan 0.000 0.460 177 T N 4.025 118.592 114.554 0.023 0.000 2.847 177 T HA 0.423 4.773 4.350 -0.000 0.000 0.291 177 T C -0.478 174.195 174.700 -0.045 0.000 0.998 177 T CA -0.330 61.763 62.100 -0.011 0.000 0.967 177 T CB 1.523 70.371 68.868 -0.034 0.000 0.954 177 T HN 0.324 nan 8.240 nan 0.000 0.441 178 V N 3.271 123.180 119.914 -0.008 0.000 2.364 178 V HA 0.623 4.743 4.120 -0.000 0.000 0.272 178 V C 0.419 176.485 176.094 -0.047 0.000 1.036 178 V CA -0.740 61.573 62.300 0.022 0.000 0.880 178 V CB 0.946 32.819 31.823 0.084 0.000 0.991 178 V HN 1.038 nan 8.190 nan 0.000 0.460 179 A N 5.022 127.742 122.820 -0.167 0.000 2.294 179 A HA 0.855 5.175 4.320 -0.000 0.000 0.316 179 A C 0.185 177.640 177.584 -0.216 0.000 1.359 179 A CA -0.064 51.930 52.037 -0.071 0.000 0.956 179 A CB 0.422 19.379 19.000 -0.071 0.000 1.155 179 A HN 1.197 nan 8.150 nan 0.000 0.544 180 A N 4.428 127.088 122.820 -0.268 0.000 2.498 180 A HA 0.960 5.280 4.320 -0.000 0.000 0.298 180 A C -3.015 174.267 177.584 -0.505 0.000 1.075 180 A CA -1.793 49.937 52.037 -0.512 0.000 0.714 180 A CB 1.430 20.358 19.000 -0.120 0.000 1.299 180 A HN 0.555 nan 8.150 nan 0.000 0.407 181 P HA 0.129 nan 4.420 nan 0.000 0.276 181 P C 0.513 177.842 177.300 0.047 0.000 1.261 181 P CA -0.141 62.879 63.100 -0.133 0.000 0.800 181 P CB 0.850 32.403 31.700 -0.245 0.000 1.066 182 E N 1.016 121.256 120.200 0.066 0.000 2.114 182 E HA -0.168 4.182 4.350 -0.000 0.000 0.199 182 E C 1.527 178.125 176.600 -0.004 0.000 1.008 182 E CA 1.929 58.352 56.400 0.037 0.000 0.810 182 E CB -0.694 29.018 29.700 0.019 0.000 0.739 182 E HN 0.694 nan 8.360 nan 0.000 0.456 183 G N -1.044 107.735 108.800 -0.035 0.000 3.518 183 G HA2 0.153 4.113 3.960 -0.000 0.000 0.273 183 G HA3 0.153 4.113 3.960 -0.000 0.000 0.273 183 G C -0.105 174.426 174.900 -0.614 0.000 1.199 183 G CA -0.344 44.564 45.100 -0.320 0.000 0.899 183 G HN 0.038 nan 8.290 nan 0.000 0.533 184 F N 0.657 120.582 119.950 -0.041 0.000 2.541 184 F HA 0.429 4.956 4.527 -0.000 0.000 0.368 184 F C 0.090 175.887 175.800 -0.004 0.000 1.530 184 F CA -0.703 57.295 58.000 -0.003 0.000 1.102 184 F CB 0.560 39.585 39.000 0.041 0.000 1.382 184 F HN -0.145 nan 8.300 nan 0.000 0.541 185 L N 1.107 122.382 121.223 0.087 0.000 2.352 185 L HA 0.619 4.959 4.340 -0.000 0.000 0.269 185 L C -2.169 174.756 176.870 0.092 0.000 1.034 185 L CA -2.218 52.668 54.840 0.075 0.000 0.806 185 L CB 0.943 43.027 42.059 0.041 0.000 1.244 185 L HN -0.056 nan 8.230 nan 0.000 0.447 186 P HA -0.045 nan 4.420 nan 0.000 0.267 186 P C -0.756 176.640 177.300 0.160 0.000 1.200 186 P CA -0.271 62.967 63.100 0.229 0.000 0.772 186 P CB 0.300 32.126 31.700 0.208 0.000 0.855 187 D N 3.444 123.949 120.400 0.175 0.000 2.662 187 D HA -0.093 4.547 4.640 -0.000 0.000 0.233 187 D C -1.394 174.883 176.300 -0.038 0.000 1.129 187 D CA -0.770 53.211 54.000 -0.033 0.000 0.851 187 D CB 0.377 41.034 40.800 -0.237 0.000 1.152 187 D HN 0.154 nan 8.370 nan 0.000 0.507 188 P HA -0.135 nan 4.420 nan 0.000 0.220 188 P C 1.344 178.633 177.300 -0.019 0.000 1.148 188 P CA 1.221 64.314 63.100 -0.012 0.000 0.803 188 P CB 0.125 31.819 31.700 -0.010 0.000 0.782 189 S N -1.440 114.239 115.700 -0.034 0.000 2.377 189 S HA -0.087 4.383 4.470 -0.000 0.000 0.223 189 S C 1.988 176.573 174.600 -0.024 0.000 1.030 189 S CA 1.057 59.242 58.200 -0.026 0.000 0.970 189 S CB -1.687 61.499 63.200 -0.022 0.000 0.830 189 S HN -0.053 nan 8.310 nan 0.000 0.473 190 V N 2.787 122.668 119.914 -0.055 0.000 2.287 190 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 190 V C 2.911 179.003 176.094 -0.003 0.000 1.053 190 V CA 2.322 64.600 62.300 -0.035 0.000 1.027 190 V CB -0.979 30.730 31.823 -0.189 0.000 0.646 190 V HN 0.512 nan 8.190 nan 0.000 0.447 191 R N 0.198 120.696 120.500 -0.003 0.000 2.103 191 R HA -0.218 4.122 4.340 -0.000 0.000 0.242 191 R C 2.247 178.555 176.300 0.014 0.000 1.142 191 R CA 1.922 58.034 56.100 0.021 0.000 0.960 191 R CB -0.450 29.865 30.300 0.025 0.000 0.858 191 R HN 0.515 nan 8.270 nan 0.000 0.439 192 A N 0.292 123.115 122.820 0.005 0.000 1.929 192 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 192 A C 2.304 179.890 177.584 0.003 0.000 1.176 192 A CA 1.310 53.349 52.037 0.004 0.000 0.628 192 A CB -0.614 18.387 19.000 0.000 0.000 0.816 192 A HN 0.522 nan 8.150 nan 0.000 0.444 193 A N -0.117 122.703 122.820 -0.001 0.000 1.972 193 A HA 0.182 4.502 4.320 -0.000 0.000 0.219 193 A C 2.406 179.987 177.584 -0.004 0.000 1.169 193 A CA 1.916 53.950 52.037 -0.006 0.000 0.635 193 A CB -0.772 18.220 19.000 -0.014 0.000 0.810 193 A HN 0.953 nan 8.150 nan 0.000 0.446 194 A N -0.279 122.544 122.820 0.005 0.000 1.929 194 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 194 A C 1.881 179.472 177.584 0.011 0.000 1.176 194 A CA 1.503 53.546 52.037 0.009 0.000 0.628 194 A CB -0.414 18.600 19.000 0.023 0.000 0.816 194 A HN 0.583 nan 8.150 nan 0.000 0.444 195 E N -0.628 119.581 120.200 0.014 0.000 2.110 195 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 195 E C 2.253 178.860 176.600 0.011 0.000 0.988 195 E CA 1.069 57.479 56.400 0.016 0.000 0.804 195 E CB -0.090 29.620 29.700 0.017 0.000 0.745 195 E HN 0.495 nan 8.360 nan 0.000 0.458 196 R N 0.059 120.563 120.500 0.006 0.000 2.115 196 R HA -0.051 4.289 4.340 -0.000 0.000 0.226 196 R C 2.237 178.537 176.300 -0.000 0.000 1.100 196 R CA 0.930 57.031 56.100 0.003 0.000 0.980 196 R CB 0.064 30.363 30.300 -0.000 0.000 0.875 196 R HN -0.106 nan 8.270 nan 0.000 0.445 197 R N 0.419 120.916 120.500 -0.004 0.000 2.093 197 R HA 0.089 4.429 4.340 -0.000 0.000 0.224 197 R C 1.737 178.032 176.300 -0.007 0.000 1.101 197 R CA 1.598 57.693 56.100 -0.009 0.000 0.979 197 R CB -0.537 29.753 30.300 -0.016 0.000 0.877 197 R HN 0.180 nan 8.270 nan 0.000 0.441 198 A N 0.370 123.189 122.820 -0.002 0.000 2.070 198 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 198 A C 1.939 179.526 177.584 0.006 0.000 1.159 198 A CA 1.372 53.409 52.037 -0.000 0.000 0.656 198 A CB -0.421 18.588 19.000 0.016 0.000 0.800 198 A HN 0.535 nan 8.150 nan 0.000 0.453 199 Q N -0.417 119.389 119.800 0.009 0.000 2.167 199 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 199 Q C 1.035 177.039 176.000 0.006 0.000 0.970 199 Q CA 1.351 57.161 55.803 0.011 0.000 0.855 199 Q CB -0.111 28.634 28.738 0.011 0.000 0.911 199 Q HN 0.608 nan 8.270 nan 0.000 0.438 200 D N -0.537 119.863 120.400 0.000 0.000 2.224 200 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 200 D C 1.742 178.038 176.300 -0.007 0.000 0.965 200 D CA 1.660 55.659 54.000 -0.002 0.000 0.852 200 D CB -0.015 40.783 40.800 -0.003 0.000 0.947 200 D HN 0.371 nan 8.370 nan 0.000 0.494 201 T N -4.461 110.084 114.554 -0.015 0.000 2.985 201 T HA 0.405 4.755 4.350 -0.000 0.000 0.254 201 T C 1.618 176.297 174.700 -0.035 0.000 1.021 201 T CA 0.489 62.572 62.100 -0.028 0.000 0.957 201 T CB 0.972 69.814 68.868 -0.044 0.000 1.047 201 T HN 0.163 nan 8.240 nan 0.000 0.511 202 G N 1.249 110.039 108.800 -0.017 0.000 2.157 202 G HA2 0.040 4.000 3.960 -0.000 0.000 0.239 202 G HA3 0.040 4.000 3.960 -0.000 0.000 0.239 202 G C 0.334 175.230 174.900 -0.007 0.000 0.982 202 G CA -0.080 45.024 45.100 0.006 0.000 0.650 202 G HN 1.076 nan 8.290 nan 0.000 0.527 203 A N -0.368 122.411 122.820 -0.067 0.000 2.249 203 A HA 0.967 5.287 4.320 -0.000 0.000 0.281 203 A C 0.799 178.451 177.584 0.114 0.000 1.127 203 A CA 0.832 52.784 52.037 -0.142 0.000 0.833 203 A CB 0.918 19.836 19.000 -0.137 0.000 1.140 203 A HN 2.114 nan 8.150 nan 0.000 0.502 204 S N -2.157 113.684 115.700 0.235 0.000 2.596 204 S HA 0.648 5.118 4.470 -0.000 0.000 0.270 204 S C -1.364 173.314 174.600 0.129 0.000 1.155 204 S CA -0.609 57.709 58.200 0.198 0.000 0.827 204 S CB 1.244 64.576 63.200 0.220 0.000 1.130 204 S HN 1.049 nan 8.310 nan 0.000 0.467 205 V N 1.770 121.732 119.914 0.079 0.000 2.487 205 V HA 0.713 4.833 4.120 -0.000 0.000 0.298 205 V C -0.548 175.573 176.094 0.045 0.000 1.028 205 V CA -0.299 62.035 62.300 0.057 0.000 0.860 205 V CB 1.765 33.613 31.823 0.042 0.000 0.991 205 V HN 1.086 nan 8.190 nan 0.000 0.427 206 T N 3.960 118.538 114.554 0.040 0.000 2.861 206 T HA 0.700 5.050 4.350 -0.000 0.000 0.287 206 T C -0.663 174.053 174.700 0.027 0.000 1.003 206 T CA -0.529 61.589 62.100 0.030 0.000 0.977 206 T CB 1.943 70.825 68.868 0.023 0.000 0.996 206 T HN 0.334 nan 8.240 nan 0.000 0.448 207 V N 2.265 122.196 119.914 0.029 0.000 2.604 207 V HA 0.887 5.007 4.120 -0.000 0.000 0.305 207 V C 0.091 176.209 176.094 0.040 0.000 1.043 207 V CA -0.537 61.782 62.300 0.033 0.000 0.888 207 V CB 1.882 33.727 31.823 0.036 0.000 0.995 207 V HN 1.044 nan 8.190 nan 0.000 0.429 208 T N 2.319 116.905 114.554 0.053 0.000 2.769 208 T HA 0.652 5.002 4.350 -0.000 0.000 0.306 208 T C -0.030 174.759 174.700 0.149 0.000 1.400 208 T CA 0.438 62.589 62.100 0.084 0.000 1.007 208 T CB 1.977 70.894 68.868 0.082 0.000 1.392 208 T HN 0.881 nan 8.240 nan 0.000 0.500 209 A N 1.215 124.148 122.820 0.188 0.000 2.503 209 A HA 0.380 4.700 4.320 -0.000 0.000 0.263 209 A C 0.291 178.057 177.584 0.304 0.000 1.258 209 A CA -0.027 52.215 52.037 0.340 0.000 0.936 209 A CB -0.012 19.137 19.000 0.249 0.000 1.070 209 A HN 0.621 nan 8.150 nan 0.000 0.522 210 D N 0.775 121.301 120.400 0.211 0.000 2.499 210 D HA 0.562 5.202 4.640 -0.000 0.000 0.225 210 D C 1.304 177.710 176.300 0.177 0.000 1.124 210 D CA 0.479 54.559 54.000 0.134 0.000 0.938 210 D CB 0.917 41.776 40.800 0.099 0.000 1.014 210 D HN 0.182 nan 8.370 nan 0.000 0.517 211 A N 3.328 126.213 122.820 0.108 0.000 1.873 211 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 211 A C 1.667 179.382 177.584 0.218 0.000 1.193 211 A CA 1.625 53.784 52.037 0.204 0.000 0.629 211 A CB -0.708 18.219 19.000 -0.122 0.000 0.826 211 A HN 0.650 nan 8.150 nan 0.000 0.447 212 H N -0.475 118.618 119.070 0.038 0.000 2.352 212 H HA 0.017 4.573 4.556 -0.000 0.000 0.299 212 H C 2.419 177.789 175.328 0.070 0.000 1.097 212 H CA 1.820 57.890 56.048 0.036 0.000 1.311 212 H CB -0.288 29.470 29.762 -0.006 0.000 1.377 212 H HN 0.532 nan 8.280 nan 0.000 0.504 213 A N 0.451 123.384 122.820 0.189 0.000 1.929 213 A HA 0.026 4.346 4.320 -0.000 0.000 0.216 213 A C 2.490 180.148 177.584 0.123 0.000 1.176 213 A CA 1.299 53.412 52.037 0.127 0.000 0.628 213 A CB -0.865 18.191 19.000 0.093 0.000 0.816 213 A HN 0.456 nan 8.150 nan 0.000 0.444 214 A N -0.222 122.690 122.820 0.155 0.000 1.969 214 A HA 0.250 4.570 4.320 -0.000 0.000 0.218 214 A C 2.350 180.076 177.584 0.236 0.000 1.169 214 A CA 1.721 53.833 52.037 0.124 0.000 0.635 214 A CB -0.721 18.288 19.000 0.015 0.000 0.810 214 A HN 0.980 nan 8.150 nan 0.000 0.445 215 A N -0.462 122.568 122.820 0.350 0.000 2.119 215 A HA 0.519 4.839 4.320 -0.000 0.000 0.216 215 A C 1.410 179.082 177.584 0.146 0.000 1.152 215 A CA 0.778 53.003 52.037 0.314 0.000 0.708 215 A CB -0.715 18.354 19.000 0.116 0.000 0.805 215 A HN 0.960 nan 8.150 nan 0.000 0.460 216 A N -0.842 122.046 122.820 0.114 0.000 2.454 216 A HA 0.470 4.790 4.320 -0.000 0.000 0.260 216 A C 1.565 179.188 177.584 0.065 0.000 1.106 216 A CA 0.385 52.466 52.037 0.074 0.000 0.780 216 A CB -0.679 18.363 19.000 0.069 0.000 1.044 216 A HN 1.881 nan 8.150 nan 0.000 0.498 217 G N 1.116 109.947 108.800 0.051 0.000 2.168 217 G HA2 0.075 4.035 3.960 -0.000 0.000 0.263 217 G HA3 0.075 4.035 3.960 -0.000 0.000 0.263 217 G C 0.667 175.600 174.900 0.054 0.000 0.977 217 G CA 0.614 45.740 45.100 0.044 0.000 0.659 217 G HN 2.176 nan 8.290 nan 0.000 0.533 218 A N -0.214 122.651 122.820 0.074 0.000 2.498 218 A HA 0.511 4.831 4.320 -0.000 0.000 0.239 218 A C 1.190 178.818 177.584 0.074 0.000 1.068 218 A CA 0.896 52.986 52.037 0.089 0.000 0.766 218 A CB 0.331 19.413 19.000 0.138 0.000 1.003 218 A HN 0.229 nan 8.150 nan 0.000 0.497 219 D N 0.208 120.652 120.400 0.074 0.000 2.262 219 D HA 0.129 4.769 4.640 -0.000 0.000 0.212 219 D C -0.144 176.191 176.300 0.059 0.000 0.964 219 D CA 1.248 55.284 54.000 0.059 0.000 0.875 219 D CB 0.472 41.306 40.800 0.056 0.000 0.996 219 D HN 0.249 nan 8.370 nan 0.000 0.497 220 V N 1.895 121.856 119.914 0.078 0.000 2.577 220 V HA 0.292 4.412 4.120 -0.000 0.000 0.303 220 V C -0.871 175.302 176.094 0.132 0.000 1.042 220 V CA -0.760 61.589 62.300 0.081 0.000 0.872 220 V CB 2.541 34.404 31.823 0.066 0.000 0.998 220 V HN -0.109 nan 8.190 nan 0.000 0.423 221 L N 5.743 127.048 121.223 0.136 0.000 2.305 221 L HA 0.750 5.090 4.340 -0.000 0.000 0.284 221 L C -0.275 176.705 176.870 0.183 0.000 1.013 221 L CA -0.045 54.931 54.840 0.227 0.000 0.819 221 L CB 1.887 44.023 42.059 0.127 0.000 1.227 221 L HN 0.509 nan 8.230 nan 0.000 0.417 222 V N 1.663 121.743 119.914 0.276 0.000 2.823 222 V HA 0.874 4.994 4.120 -0.000 0.000 0.312 222 V C -0.114 176.092 176.094 0.187 0.000 1.072 222 V CA -0.563 61.862 62.300 0.209 0.000 0.937 222 V CB 2.004 33.978 31.823 0.251 0.000 1.013 222 V HN 0.743 nan 8.190 nan 0.000 0.430 223 T N 1.187 115.749 114.554 0.014 0.000 2.792 223 T HA 0.544 4.894 4.350 -0.000 0.000 0.303 223 T C -2.204 172.275 174.700 -0.369 0.000 1.310 223 T CA -0.296 61.694 62.100 -0.183 0.000 1.007 223 T CB 2.091 70.889 68.868 -0.116 0.000 1.335 223 T HN 0.953 nan 8.240 nan 0.000 0.504 224 D N 0.055 120.259 120.400 -0.327 0.000 2.581 224 D HA 0.429 5.069 4.640 -0.000 0.000 0.232 224 D C -0.506 175.594 176.300 -0.334 0.000 1.143 224 D CA -0.071 53.690 54.000 -0.399 0.000 0.881 224 D CB 2.437 43.230 40.800 -0.011 0.000 1.500 224 D HN 0.454 nan 8.370 nan 0.000 0.458 225 T N 1.833 116.211 114.554 -0.293 0.000 2.933 225 T HA 0.069 4.419 4.350 -0.000 0.000 0.306 225 T C 0.107 174.651 174.700 -0.260 0.000 1.045 225 T CA -0.017 61.871 62.100 -0.353 0.000 1.143 225 T CB -0.021 68.614 68.868 -0.388 0.000 1.003 225 T HN 0.142 nan 8.240 nan 0.000 0.540 240 K N 2.125 122.485 120.400 -0.067 0.000 2.097 240 K HA 0.053 4.373 4.320 -0.000 0.000 0.206 240 K C -0.050 176.436 176.600 -0.191 0.000 1.049 240 K CA 2.235 58.468 56.287 -0.089 0.000 0.933 240 K CB -0.722 31.750 32.500 -0.046 0.000 0.717 240 K HN 0.645 nan 8.250 nan 0.000 0.442 241 P HA -0.144 nan 4.420 nan 0.000 0.222 241 P C 0.622 177.674 177.300 -0.413 0.000 1.147 241 P CA 1.101 63.974 63.100 -0.379 0.000 0.790 241 P CB -0.006 31.385 31.700 -0.514 0.000 0.780 242 F N 0.425 120.101 119.950 -0.456 0.000 2.512 242 F HA 0.112 4.639 4.527 -0.000 0.000 0.296 242 F C 2.512 177.941 175.800 -0.617 0.000 1.110 242 F CA 0.377 57.889 58.000 -0.813 0.000 1.446 242 F CB -0.695 37.178 39.000 -1.877 0.000 1.092 242 F HN -0.202 nan 8.300 nan 0.000 0.554 243 R N 0.293 120.628 120.500 -0.275 0.000 2.105 243 R HA -0.126 4.214 4.340 -0.000 0.000 0.239 243 R C -0.590 175.740 176.300 0.049 0.000 1.135 243 R CA 1.342 57.422 56.100 -0.034 0.000 0.967 243 R CB -2.090 28.231 30.300 0.034 0.000 0.861 243 R HN 0.276 nan 8.270 nan 0.000 0.442 244 P HA -0.074 nan 4.420 nan 0.000 0.234 244 P C 0.347 177.473 177.300 -0.289 0.000 1.167 244 P CA 0.990 63.979 63.100 -0.184 0.000 0.763 244 P CB -0.065 31.434 31.700 -0.335 0.000 0.835 245 F N -1.077 118.907 119.950 0.057 0.000 2.727 245 F HA 0.167 4.694 4.527 -0.000 0.000 0.302 245 F C 1.381 177.245 175.800 0.107 0.000 1.097 245 F CA -0.337 57.738 58.000 0.126 0.000 1.330 245 F CB -0.428 38.669 39.000 0.161 0.000 1.084 245 F HN -0.112 nan 8.300 nan 0.000 0.578 246 Q N 1.505 121.454 119.800 0.248 0.000 2.315 246 Q HA 0.029 4.369 4.340 -0.000 0.000 0.289 246 Q C -0.567 175.405 176.000 -0.047 0.000 1.044 246 Q CA -0.256 55.675 55.803 0.214 0.000 0.920 246 Q CB 0.637 29.500 28.738 0.209 0.000 1.214 246 Q HN 0.134 nan 8.270 nan 0.000 0.392 247 L N 5.691 126.863 121.223 -0.084 0.000 2.385 247 L HA 0.158 4.498 4.340 -0.000 0.000 0.285 247 L C -0.494 176.301 176.870 -0.125 0.000 1.125 247 L CA 0.394 55.120 54.840 -0.191 0.000 0.890 247 L CB -0.372 41.588 42.059 -0.165 0.000 1.251 247 L HN 0.641 nan 8.230 nan 0.000 0.445 248 N N -0.675 117.943 118.700 -0.138 0.000 2.545 248 N HA 0.380 5.119 4.740 -0.000 0.000 0.289 248 N C 0.666 176.116 175.510 -0.100 0.000 1.279 248 N CA -0.644 52.350 53.050 -0.093 0.000 0.824 248 N CB 0.688 39.137 38.487 -0.063 0.000 1.395 248 N HN 0.086 nan 8.380 nan 0.000 0.526 249 S N -0.518 115.141 115.700 -0.069 0.000 2.400 249 S HA -0.155 4.315 4.470 -0.000 0.000 0.232 249 S C 1.589 176.149 174.600 -0.067 0.000 1.025 249 S CA 0.963 59.127 58.200 -0.060 0.000 0.993 249 S CB -0.377 62.799 63.200 -0.039 0.000 0.808 249 S HN 0.578 nan 8.310 nan 0.000 0.478 250 R N 0.238 120.695 120.500 -0.072 0.000 2.090 250 R HA 0.099 4.439 4.340 -0.000 0.000 0.228 250 R C 2.219 178.441 176.300 -0.130 0.000 1.110 250 R CA 0.707 56.762 56.100 -0.075 0.000 0.973 250 R CB -0.276 29.992 30.300 -0.053 0.000 0.869 250 R HN 0.310 nan 8.270 nan 0.000 0.440 251 L N 0.516 121.629 121.223 -0.183 0.000 2.156 251 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 251 L C 1.899 178.652 176.870 -0.195 0.000 1.095 251 L CA 1.180 55.862 54.840 -0.263 0.000 0.770 251 L CB -0.238 41.612 42.059 -0.349 0.000 0.914 251 L HN 0.167 nan 8.230 nan 0.000 0.439 252 L N -0.506 120.630 121.223 -0.146 0.000 2.201 252 L HA 0.008 4.348 4.340 -0.000 0.000 0.212 252 L C 2.418 179.252 176.870 -0.061 0.000 1.105 252 L CA 1.733 56.514 54.840 -0.097 0.000 0.775 252 L CB -0.800 41.212 42.059 -0.079 0.000 0.913 252 L HN 0.238 nan 8.230 nan 0.000 0.440 253 A N -0.607 122.178 122.820 -0.059 0.000 1.972 253 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 253 A C 2.174 179.745 177.584 -0.022 0.000 1.169 253 A CA 1.704 53.721 52.037 -0.034 0.000 0.635 253 A CB -0.759 18.224 19.000 -0.029 0.000 0.810 253 A HN 0.497 nan 8.150 nan 0.000 0.446 254 L N -0.838 120.365 121.223 -0.034 0.000 2.291 254 L HA 0.023 4.363 4.340 -0.000 0.000 0.214 254 L C 1.853 178.728 176.870 0.009 0.000 1.120 254 L CA 0.182 55.015 54.840 -0.010 0.000 0.799 254 L CB -0.803 41.240 42.059 -0.025 0.000 0.925 254 L HN 0.434 nan 8.230 nan 0.000 0.446 255 A N -0.014 122.809 122.820 0.005 0.000 2.325 255 A HA -0.013 4.307 4.320 -0.000 0.000 0.260 255 A C 0.255 177.852 177.584 0.022 0.000 1.133 255 A CA -0.319 51.733 52.037 0.025 0.000 0.801 255 A CB 0.037 19.051 19.000 0.024 0.000 1.092 255 A HN 0.212 nan 8.150 nan 0.000 0.504 256 D N -0.676 119.741 120.400 0.029 0.000 2.400 256 D HA 0.050 4.690 4.640 -0.000 0.000 0.238 256 D C 1.542 177.852 176.300 0.017 0.000 1.157 256 D CA 0.728 54.742 54.000 0.024 0.000 0.889 256 D CB 0.884 41.701 40.800 0.029 0.000 1.199 256 D HN 0.501 nan 8.370 nan 0.000 0.436 257 S N 1.755 117.463 115.700 0.013 0.000 2.402 257 S HA -0.157 4.313 4.470 -0.000 0.000 0.229 257 S C 1.065 175.671 174.600 0.009 0.000 1.021 257 S CA 0.672 58.878 58.200 0.009 0.000 0.974 257 S CB 0.136 63.341 63.200 0.008 0.000 0.800 257 S HN 0.497 nan 8.310 nan 0.000 0.484 258 D N 2.400 122.808 120.400 0.013 0.000 2.336 258 D HA 0.373 5.013 4.640 -0.000 0.000 0.229 258 D C 0.756 177.065 176.300 0.014 0.000 1.061 258 D CA 0.355 54.362 54.000 0.013 0.000 0.875 258 D CB -0.048 40.761 40.800 0.015 0.000 0.904 258 D HN 0.577 nan 8.370 nan 0.000 0.525 259 A N 0.982 123.812 122.820 0.016 0.000 2.466 259 A HA 0.366 4.686 4.320 -0.000 0.000 0.238 259 A C 0.536 178.128 177.584 0.013 0.000 1.074 259 A CA -0.092 51.957 52.037 0.020 0.000 0.774 259 A CB 0.101 19.115 19.000 0.024 0.000 1.015 259 A HN 0.324 nan 8.150 nan 0.000 0.498 260 I N -1.272 119.308 120.570 0.017 0.000 2.846 260 I HA 0.781 4.951 4.170 -0.000 0.000 0.307 260 I C -0.908 175.213 176.117 0.006 0.000 1.053 260 I CA -1.113 60.191 61.300 0.006 0.000 1.050 260 I CB 2.210 40.213 38.000 0.004 0.000 1.239 260 I HN 0.255 nan 8.210 nan 0.000 0.439 261 V N 5.244 125.148 119.914 -0.016 0.000 2.448 261 V HA 0.514 4.634 4.120 -0.000 0.000 0.295 261 V C -0.011 176.061 176.094 -0.036 0.000 1.025 261 V CA -0.406 61.882 62.300 -0.020 0.000 0.859 261 V CB 1.414 33.211 31.823 -0.044 0.000 0.988 261 V HN 0.549 nan 8.190 nan 0.000 0.431 262 L N 4.435 125.657 121.223 -0.002 0.000 2.319 262 L HA 0.752 5.092 4.340 -0.000 0.000 0.267 262 L C -0.653 176.241 176.870 0.040 0.000 1.011 262 L CA -0.713 54.123 54.840 -0.006 0.000 0.818 262 L CB 2.016 44.079 42.059 0.007 0.000 1.316 262 L HN 0.621 nan 8.230 nan 0.000 0.432 263 H N 0.255 119.266 119.070 -0.097 0.000 3.129 263 H HA 0.131 4.687 4.556 -0.000 0.000 0.342 263 H C -0.037 175.233 175.328 -0.096 0.000 1.092 263 H CA -0.931 55.062 56.048 -0.091 0.000 1.310 263 H CB 2.072 31.742 29.762 -0.153 0.000 1.932 263 H HN 0.869 nan 8.280 nan 0.000 0.507 264 C N 3.708 123.082 119.300 0.123 0.000 2.468 264 C HA 0.429 4.889 4.460 -0.000 0.000 0.277 264 C C 0.881 175.970 174.990 0.164 0.000 1.400 264 C CA 0.061 59.132 59.018 0.088 0.000 1.770 264 C CB -1.340 26.407 27.740 0.012 0.000 1.905 264 C HN 0.699 nan 8.230 nan 0.000 0.519 265 L N -1.407 120.035 121.223 0.364 0.000 0.584 265 L HA -0.044 4.295 4.340 -0.000 0.000 0.356 265 L C -2.468 174.458 176.870 0.094 0.000 1.004 265 L CA -0.225 54.694 54.840 0.131 0.000 1.223 265 L CB -1.301 40.770 42.059 0.019 0.000 0.013 265 L HN 0.101 nan 8.230 nan 0.000 0.091 266 P HA 0.441 nan 4.420 nan 0.000 0.276 266 P C -0.828 176.357 177.300 -0.192 0.000 1.252 266 P CA -0.373 62.691 63.100 -0.060 0.000 0.802 266 P CB 1.027 32.714 31.700 -0.021 0.000 1.035 267 A N 1.168 123.794 122.820 -0.323 0.000 2.304 267 A HA 0.340 4.660 4.320 -0.000 0.000 0.301 267 A C -0.434 177.075 177.584 -0.126 0.000 1.132 267 A CA -0.477 51.297 52.037 -0.438 0.000 0.819 267 A CB -0.161 18.534 19.000 -0.510 0.000 1.094 267 A HN 0.667 nan 8.150 nan 0.000 0.492 268 H N 1.866 120.826 119.070 -0.184 0.000 2.632 268 H HA 0.223 4.779 4.556 -0.000 0.000 0.258 268 H C -0.372 174.844 175.328 -0.186 0.000 1.278 268 H CA -0.682 55.267 56.048 -0.165 0.000 1.352 268 H CB 0.581 30.234 29.762 -0.182 0.000 1.418 268 H HN 0.650 nan 8.280 nan 0.000 0.513 269 R N 1.128 121.612 120.500 -0.027 0.000 2.484 269 R HA 0.121 4.461 4.340 -0.000 0.000 0.293 269 R C 0.982 177.249 176.300 -0.054 0.000 1.023 269 R CA 1.048 57.112 56.100 -0.061 0.000 1.037 269 R CB 0.438 30.713 30.300 -0.042 0.000 0.951 269 R HN 1.006 nan 8.270 nan 0.000 0.418 270 G N 2.122 110.884 108.800 -0.064 0.000 2.218 270 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 270 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 270 G C 0.113 174.989 174.900 -0.040 0.000 0.994 270 G CA 0.236 45.315 45.100 -0.036 0.000 0.637 270 G HN 0.590 nan 8.290 nan 0.000 0.505 271 D N 0.530 120.837 120.400 -0.155 0.000 2.525 271 D HA 0.157 4.797 4.640 -0.000 0.000 0.261 271 D C 2.313 178.290 176.300 -0.538 0.000 1.379 271 D CA 0.664 54.442 54.000 -0.370 0.000 1.074 271 D CB -0.545 39.866 40.800 -0.648 0.000 0.939 271 D HN 0.345 nan 8.370 nan 0.000 0.272 272 E N 0.838 120.453 120.200 -0.975 0.000 2.274 272 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 272 E C 0.767 177.273 176.600 -0.158 0.000 0.996 272 E CA 0.525 56.549 56.400 -0.626 0.000 0.840 272 E CB 0.556 29.737 29.700 -0.864 0.000 0.772 272 E HN 0.379 nan 8.360 nan 0.000 0.491 273 I N 0.442 120.920 120.570 -0.153 0.000 3.102 273 I HA 0.236 4.406 4.170 -0.000 0.000 0.310 273 I C -1.132 174.937 176.117 -0.080 0.000 1.246 273 I CA -0.620 60.631 61.300 -0.082 0.000 0.979 273 I CB 2.363 40.336 38.000 -0.045 0.000 1.267 273 I HN 0.017 nan 8.210 nan 0.000 0.451 274 T N -0.060 114.457 114.554 -0.063 0.000 2.932 274 T HA 0.387 4.737 4.350 -0.000 0.000 0.289 274 T C 0.304 174.977 174.700 -0.045 0.000 1.039 274 T CA -0.657 61.414 62.100 -0.047 0.000 1.024 274 T CB 1.671 70.518 68.868 -0.035 0.000 1.090 274 T HN 0.526 nan 8.240 nan 0.000 0.496 275 D N 1.244 121.626 120.400 -0.030 0.000 2.116 275 D HA -0.112 4.528 4.640 -0.000 0.000 0.193 275 D C 2.306 178.599 176.300 -0.013 0.000 0.998 275 D CA 1.883 55.873 54.000 -0.017 0.000 0.836 275 D CB -0.628 40.168 40.800 -0.007 0.000 0.951 275 D HN 0.782 nan 8.370 nan 0.000 0.449 276 A N 0.359 123.169 122.820 -0.016 0.000 2.019 276 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 276 A C 2.505 180.076 177.584 -0.023 0.000 1.164 276 A CA 1.029 53.057 52.037 -0.014 0.000 0.644 276 A CB -0.424 18.566 19.000 -0.016 0.000 0.805 276 A HN 0.161 nan 8.150 nan 0.000 0.449 277 V N -0.805 119.087 119.914 -0.038 0.000 2.379 277 V HA -0.162 3.958 4.120 -0.000 0.000 0.243 277 V C 2.486 178.543 176.094 -0.061 0.000 1.035 277 V CA 1.914 64.184 62.300 -0.051 0.000 1.035 277 V CB -0.467 31.317 31.823 -0.065 0.000 0.673 277 V HN 0.660 nan 8.190 nan 0.000 0.457 278 M N -0.341 119.215 119.600 -0.073 0.000 2.394 278 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 278 M C 0.937 177.196 176.300 -0.067 0.000 1.073 278 M CA 1.412 56.641 55.300 -0.118 0.000 1.111 278 M CB -0.055 32.455 32.600 -0.150 0.000 1.401 278 M HN 0.328 nan 8.290 nan 0.000 0.448 279 D N -0.097 120.308 120.400 0.007 0.000 2.398 279 D HA 0.182 4.822 4.640 -0.000 0.000 0.210 279 D C 0.818 177.150 176.300 0.052 0.000 1.094 279 D CA 0.172 54.219 54.000 0.079 0.000 0.839 279 D CB 0.176 41.028 40.800 0.086 0.000 0.963 279 D HN 0.333 nan 8.370 nan 0.000 0.506 280 G N 1.673 110.481 108.800 0.013 0.000 2.588 280 G HA2 0.264 4.224 3.960 -0.000 0.000 0.281 280 G HA3 0.264 4.224 3.960 -0.000 0.000 0.281 280 G C -1.396 173.510 174.900 0.010 0.000 1.236 280 G CA -0.752 44.353 45.100 0.008 0.000 0.969 280 G HN -0.111 nan 8.290 nan 0.000 0.504 281 P HA 0.045 nan 4.420 nan 0.000 0.225 281 P C 1.405 178.707 177.300 0.004 0.000 1.156 281 P CA 1.141 64.248 63.100 0.013 0.000 0.787 281 P CB 0.310 32.016 31.700 0.011 0.000 0.802 282 A N -0.329 122.487 122.820 -0.008 0.000 2.169 282 A HA 0.064 4.384 4.320 -0.000 0.000 0.212 282 A C 1.474 179.041 177.584 -0.029 0.000 1.153 282 A CA 0.217 52.246 52.037 -0.014 0.000 0.756 282 A CB -0.877 18.114 19.000 -0.016 0.000 0.813 282 A HN 0.220 nan 8.150 nan 0.000 0.471 283 S N -0.101 115.572 115.700 -0.045 0.000 2.510 283 S HA 0.440 4.909 4.470 -0.000 0.000 0.279 283 S C 0.742 175.280 174.600 -0.103 0.000 1.284 283 S CA 0.189 58.330 58.200 -0.097 0.000 1.059 283 S CB 0.818 63.939 63.200 -0.133 0.000 0.901 283 S HN 0.724 nan 8.310 nan 0.000 0.491 284 A N 4.681 127.423 122.820 -0.129 0.000 2.538 284 A HA 0.321 4.641 4.320 -0.000 0.000 0.269 284 A C 1.437 178.920 177.584 -0.169 0.000 1.231 284 A CA -0.209 51.769 52.037 -0.097 0.000 0.948 284 A CB -0.025 18.948 19.000 -0.045 0.000 1.110 284 A HN 0.696 nan 8.150 nan 0.000 0.529 285 V N -1.274 118.417 119.914 -0.371 0.000 2.469 285 V HA -0.307 3.813 4.120 -0.000 0.000 0.251 285 V C 2.060 177.908 176.094 -0.410 0.000 1.064 285 V CA 2.208 64.202 62.300 -0.510 0.000 1.066 285 V CB -1.022 30.268 31.823 -0.890 0.000 0.667 285 V HN 0.871 nan 8.190 nan 0.000 0.461 286 W N -0.228 121.064 121.300 -0.014 0.000 2.480 286 W HA 0.001 4.661 4.660 -0.000 0.000 0.299 286 W C 2.263 178.776 176.519 -0.011 0.000 1.187 286 W CA 0.277 57.610 57.345 -0.021 0.000 1.347 286 W CB -0.504 28.941 29.460 -0.025 0.000 1.121 286 W HN 0.171 nan 8.180 nan 0.000 0.533 287 D N 0.543 121.057 120.400 0.191 0.000 2.190 287 D HA -0.238 4.402 4.640 -0.000 0.000 0.200 287 D C 1.753 178.097 176.300 0.072 0.000 0.992 287 D CA 1.659 55.727 54.000 0.114 0.000 0.854 287 D CB -0.453 40.395 40.800 0.079 0.000 0.936 287 D HN 0.310 nan 8.370 nan 0.000 0.462 288 E N 0.012 120.229 120.200 0.028 0.000 2.072 288 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 288 E C 1.974 178.578 176.600 0.007 0.000 0.985 288 E CA 0.915 57.315 56.400 -0.001 0.000 0.801 288 E CB 0.028 29.703 29.700 -0.042 0.000 0.750 288 E HN 0.203 nan 8.360 nan 0.000 0.452 289 A N 1.371 124.211 122.820 0.034 0.000 1.873 289 A HA -0.235 4.085 4.320 -0.000 0.000 0.215 289 A C 2.070 179.660 177.584 0.010 0.000 1.186 289 A CA 1.663 53.724 52.037 0.040 0.000 0.616 289 A CB -0.673 18.386 19.000 0.098 0.000 0.823 289 A HN 0.451 nan 8.150 nan 0.000 0.442 290 E N 0.126 120.347 120.200 0.035 0.000 2.086 290 E HA -0.273 4.077 4.350 -0.000 0.000 0.200 290 E C 1.268 177.798 176.600 -0.116 0.000 1.012 290 E CA 1.649 58.043 56.400 -0.010 0.000 0.812 290 E CB -0.205 29.545 29.700 0.082 0.000 0.743 290 E HN 0.541 nan 8.360 nan 0.000 0.453 291 N N 0.469 119.170 118.700 0.001 0.000 2.573 291 N HA -0.076 4.664 4.740 -0.000 0.000 0.187 291 N C 1.329 176.787 175.510 -0.086 0.000 1.107 291 N CA 0.314 53.382 53.050 0.031 0.000 0.918 291 N CB -0.121 38.423 38.487 0.096 0.000 0.966 291 N HN 0.150 nan 8.380 nan 0.000 0.448 292 R N 0.390 120.820 120.500 -0.118 0.000 2.105 292 R HA -0.085 4.255 4.340 -0.000 0.000 0.239 292 R C 1.885 178.045 176.300 -0.234 0.000 1.135 292 R CA 0.525 56.538 56.100 -0.145 0.000 0.967 292 R CB -0.823 29.416 30.300 -0.101 0.000 0.861 292 R HN 0.271 nan 8.270 nan 0.000 0.442 293 L N 0.581 121.622 121.223 -0.304 0.000 1.988 293 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 293 L C 2.362 179.066 176.870 -0.276 0.000 1.071 293 L CA 1.840 56.475 54.840 -0.342 0.000 0.744 293 L CB -0.696 41.101 42.059 -0.437 0.000 0.893 293 L HN 0.180 nan 8.230 nan 0.000 0.433 294 H N -0.174 118.864 119.070 -0.054 0.000 2.352 294 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 294 H C 2.131 177.422 175.328 -0.062 0.000 1.097 294 H CA 1.449 57.471 56.048 -0.044 0.000 1.311 294 H CB -0.898 28.848 29.762 -0.027 0.000 1.377 294 H HN 0.526 nan 8.280 nan 0.000 0.504 295 A N 1.225 124.053 122.820 0.014 0.000 1.898 295 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 295 A C 2.431 179.961 177.584 -0.091 0.000 1.181 295 A CA 1.565 53.577 52.037 -0.041 0.000 0.620 295 A CB -0.481 18.487 19.000 -0.054 0.000 0.819 295 A HN 0.427 nan 8.150 nan 0.000 0.442 296 Q N -0.519 119.183 119.800 -0.163 0.000 2.123 296 Q HA -0.100 4.240 4.340 -0.000 0.000 0.199 296 Q C 2.101 178.049 176.000 -0.086 0.000 0.966 296 Q CA 1.285 56.955 55.803 -0.222 0.000 0.845 296 Q CB -0.136 28.185 28.738 -0.695 0.000 0.907 296 Q HN 0.571 nan 8.270 nan 0.000 0.439 297 K N 0.437 120.798 120.400 -0.065 0.000 2.020 297 K HA -0.187 4.133 4.320 -0.000 0.000 0.212 297 K C 2.062 178.686 176.600 0.040 0.000 1.050 297 K CA 1.414 57.711 56.287 0.016 0.000 0.929 297 K CB -0.207 32.315 32.500 0.037 0.000 0.714 297 K HN 0.171 nan 8.250 nan 0.000 0.443 298 A N 1.033 123.868 122.820 0.025 0.000 2.015 298 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 298 A C 2.003 179.614 177.584 0.045 0.000 1.163 298 A CA 0.927 52.986 52.037 0.038 0.000 0.646 298 A CB -0.343 18.665 19.000 0.014 0.000 0.806 298 A HN 0.286 nan 8.150 nan 0.000 0.448 299 L N -0.683 120.531 121.223 -0.015 0.000 2.005 299 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 299 L C 2.116 179.034 176.870 0.080 0.000 1.072 299 L CA 1.524 56.332 54.840 -0.053 0.000 0.744 299 L CB -0.494 41.465 42.059 -0.168 0.000 0.895 299 L HN 0.223 nan 8.230 nan 0.000 0.433 300 L N -0.599 120.688 121.223 0.105 0.000 1.971 300 L HA -0.240 4.100 4.340 -0.000 0.000 0.215 300 L C 2.671 179.604 176.870 0.106 0.000 1.072 300 L CA 1.939 56.854 54.840 0.124 0.000 0.758 300 L CB -1.591 40.548 42.059 0.133 0.000 0.889 300 L HN 0.183 nan 8.230 nan 0.000 0.433 301 V N -1.549 118.424 119.914 0.098 0.000 2.250 301 V HA -0.364 3.756 4.120 -0.000 0.000 0.250 301 V C 2.212 178.360 176.094 0.091 0.000 1.060 301 V CA 2.183 64.531 62.300 0.080 0.000 1.030 301 V CB -0.941 30.929 31.823 0.078 0.000 0.643 301 V HN 0.619 nan 8.190 nan 0.000 0.445 302 W N 0.182 121.462 121.300 -0.035 0.000 2.321 302 W HA -0.202 4.458 4.660 -0.000 0.000 0.306 302 W C 2.259 178.754 176.519 -0.040 0.000 1.217 302 W CA 1.965 59.284 57.345 -0.044 0.000 1.257 302 W CB -0.217 29.202 29.460 -0.069 0.000 1.145 302 W HN 0.155 nan 8.180 nan 0.000 0.509 303 L N -0.528 120.818 121.223 0.206 0.000 2.044 303 L HA -0.193 4.147 4.340 -0.000 0.000 0.205 303 L C 2.466 179.304 176.870 -0.054 0.000 1.075 303 L CA 1.000 55.896 54.840 0.094 0.000 0.747 303 L CB -1.030 41.125 42.059 0.161 0.000 0.903 303 L HN -0.005 nan 8.230 nan 0.000 0.435 304 L N 0.084 121.294 121.223 -0.022 0.000 2.046 304 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 304 L C 2.628 179.443 176.870 -0.091 0.000 1.077 304 L CA 1.581 56.396 54.840 -0.041 0.000 0.747 304 L CB -0.576 41.479 42.059 -0.007 0.000 0.896 304 L HN 0.419 nan 8.230 nan 0.000 0.432 305 E N 0.508 120.630 120.200 -0.130 0.000 2.478 305 E HA -0.173 4.177 4.350 -0.000 0.000 0.198 305 E C 1.401 177.860 176.600 -0.234 0.000 1.046 305 E CA 0.556 56.858 56.400 -0.164 0.000 0.870 305 E CB 0.099 29.708 29.700 -0.153 0.000 0.818 305 E HN 0.449 nan 8.360 nan 0.000 0.527 306 R N 0.416 120.740 120.500 -0.293 0.000 2.613 306 R HA 0.303 4.643 4.340 -0.000 0.000 0.361 306 R C -0.644 175.536 176.300 -0.201 0.000 1.072 306 R CA -0.145 55.767 56.100 -0.313 0.000 1.089 306 R CB 1.176 31.149 30.300 -0.544 0.000 1.343 306 R HN -0.035 nan 8.270 nan 0.000 0.571 307 S N 0.000 115.611 115.700 -0.148 0.000 2.498 307 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 307 S CA 0.000 58.133 58.200 -0.112 0.000 1.107 307 S CB 0.000 63.134 63.200 -0.109 0.000 0.593 307 S HN 0.000 nan 8.310 nan 0.000 0.517