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 3n8u_1_B DATA FIRST_RESID 31 DATA SEQUENCE TVDPANIDYT PENASSWHNY XRNVAALLKT DATNLYNAWN SSYKGGESYA DATA SEQUENCE SLFKAHSGSP YASALSCVEE IVDKCAEIAN EVGTAKIGDP YNLYKAGNTE DATA SEQUENCE EALYAVESWY SWHSRDDYTN NIYSIRNAYY GSLDGNINAN SLSTVIAGAN DATA SEQUENCE SSLDTKIKNA IQKAAKAIQD IPQPFRNHIP SNETVAAXDA CAELESILKN DATA SEQUENCE DLKSYIANNS NNINTDAVLN PVVTQYVDAV VVPTYKSLKE KNDALYNAVI DATA SEQUENCE VLADNPSNSA FETACDAWIT AREPWEKSEA FLFGPVDEXG LDPNXDSWPL DATA SEQUENCE DQNAIVQILN SQSWSDLEWS EGDDEAAVES AQNVRGFHTL EFLLYKNGEP DATA SEQUENCE RKVQ 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 31 T HA 0.000 nan 4.350 nan 0.000 0.228 31 T C 0.000 174.707 174.700 0.011 0.000 1.109 31 T CA 0.000 62.100 62.100 0.000 0.000 1.349 31 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 32 V N 3.218 123.135 119.914 0.005 0.000 2.521 32 V HA 0.242 4.362 4.120 -0.001 0.000 0.286 32 V C 0.274 176.394 176.094 0.043 0.000 1.034 32 V CA 0.077 62.397 62.300 0.034 0.000 1.045 32 V CB 1.008 32.851 31.823 0.033 0.000 0.974 32 V HN 0.827 nan 8.190 nan 0.000 0.480 33 D N 7.265 127.718 120.400 0.087 0.000 2.412 33 D HA 0.328 4.968 4.640 -0.001 0.000 0.224 33 D C -1.631 174.780 176.300 0.185 0.000 1.093 33 D CA -2.135 51.938 54.000 0.120 0.000 0.850 33 D CB 2.145 43.018 40.800 0.122 0.000 1.046 33 D HN 0.201 nan 8.370 nan 0.000 0.507 34 P HA -0.139 nan 4.420 nan 0.000 0.217 34 P C 0.969 178.403 177.300 0.223 0.000 1.148 34 P CA 1.106 64.399 63.100 0.321 0.000 0.828 34 P CB 0.220 32.240 31.700 0.534 0.000 0.783 35 A N -0.741 122.230 122.820 0.253 0.000 2.178 35 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 35 A C 1.653 179.303 177.584 0.111 0.000 1.157 35 A CA 1.440 53.586 52.037 0.182 0.000 0.689 35 A CB -0.879 18.233 19.000 0.188 0.000 0.787 35 A HN 0.174 nan 8.150 nan 0.000 0.465 36 N N -0.460 118.309 118.700 0.114 0.000 2.187 36 N HA 0.173 4.912 4.740 -0.001 0.000 0.212 36 N C -0.514 175.051 175.510 0.092 0.000 1.152 36 N CA 0.050 53.152 53.050 0.087 0.000 0.872 36 N CB 0.699 39.238 38.487 0.086 0.000 1.025 36 N HN 0.242 nan 8.380 nan 0.000 0.514 37 I N 1.583 122.217 120.570 0.107 0.000 2.307 37 I HA 0.315 4.484 4.170 -0.001 0.000 0.289 37 I C -0.162 176.027 176.117 0.120 0.000 1.021 37 I CA -0.331 61.064 61.300 0.158 0.000 1.224 37 I CB 0.729 38.872 38.000 0.238 0.000 1.376 37 I HN -0.212 nan 8.210 nan 0.000 0.470 38 D N 4.712 125.174 120.400 0.102 0.000 2.527 38 D HA 0.174 4.814 4.640 -0.001 0.000 0.233 38 D C -0.863 175.255 176.300 -0.304 0.000 1.063 38 D CA -0.379 53.573 54.000 -0.079 0.000 0.880 38 D CB 2.805 43.546 40.800 -0.099 0.000 1.457 38 D HN 0.341 nan 8.370 nan 0.000 0.475 39 Y N 1.872 121.658 120.300 -0.858 0.000 2.480 39 Y HA 0.270 4.820 4.550 -0.001 0.000 0.341 39 Y C 0.033 175.618 175.900 -0.526 0.000 1.031 39 Y CA 0.005 57.394 58.100 -1.185 0.000 1.295 39 Y CB 0.217 37.857 38.460 -1.367 0.000 1.162 39 Y HN 0.218 nan 8.280 nan 0.000 0.523 40 T N 3.493 117.587 114.554 -0.767 0.000 2.916 40 T HA 0.429 4.779 4.350 -0.001 0.000 0.292 40 T C -2.317 172.042 174.700 -0.568 0.000 1.064 40 T CA -2.391 59.399 62.100 -0.516 0.000 1.011 40 T CB 2.028 70.744 68.868 -0.254 0.000 1.152 40 T HN 0.272 nan 8.240 nan 0.000 0.510 41 P HA -0.043 nan 4.420 nan 0.000 0.218 41 P C 1.026 178.209 177.300 -0.194 0.000 1.148 41 P CA 1.017 63.963 63.100 -0.256 0.000 0.822 41 P CB 0.073 31.687 31.700 -0.142 0.000 0.784 42 E N -0.333 119.773 120.200 -0.155 0.000 2.150 42 E HA -0.140 4.210 4.350 -0.001 0.000 0.193 42 E C 1.276 177.839 176.600 -0.062 0.000 0.985 42 E CA 1.260 57.608 56.400 -0.086 0.000 0.814 42 E CB -0.755 28.910 29.700 -0.057 0.000 0.752 42 E HN 0.457 nan 8.360 nan 0.000 0.466 43 N N -0.857 117.786 118.700 -0.095 0.000 2.187 43 N HA 0.229 4.969 4.740 -0.001 0.000 0.212 43 N C 1.130 176.640 175.510 -0.000 0.000 1.152 43 N CA 0.580 53.647 53.050 0.029 0.000 0.872 43 N CB 0.040 38.635 38.487 0.180 0.000 1.025 43 N HN 0.068 nan 8.380 nan 0.000 0.514 44 A N 0.888 123.546 122.820 -0.269 0.000 1.892 44 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 44 A C 2.325 179.645 177.584 -0.442 0.000 1.188 44 A CA 2.066 53.821 52.037 -0.469 0.000 0.631 44 A CB -1.124 17.569 19.000 -0.512 0.000 0.822 44 A HN 0.350 nan 8.150 nan 0.000 0.447 45 S N -0.216 115.394 115.700 -0.150 0.000 2.370 45 S HA -0.138 4.331 4.470 -0.001 0.000 0.226 45 S C 2.340 177.048 174.600 0.179 0.000 1.033 45 S CA 1.543 59.763 58.200 0.033 0.000 1.011 45 S CB -0.336 62.918 63.200 0.090 0.000 0.852 45 S HN 0.649 nan 8.310 nan 0.000 0.457 46 S N 0.096 115.947 115.700 0.252 0.000 2.355 46 S HA -0.073 4.397 4.470 -0.001 0.000 0.222 46 S C 1.387 176.288 174.600 0.502 0.000 1.031 46 S CA 0.706 59.179 58.200 0.455 0.000 0.993 46 S CB -0.336 63.087 63.200 0.372 0.000 0.859 46 S HN 0.649 nan 8.310 nan 0.000 0.453 47 W N 2.238 123.669 121.300 0.217 0.000 2.358 47 W HA -0.148 4.512 4.660 0.000 0.000 0.303 47 W C 2.026 178.699 176.519 0.256 0.000 1.208 47 W CA 1.636 59.142 57.345 0.267 0.000 1.274 47 W CB -0.788 28.878 29.460 0.343 0.000 1.138 47 W HN 0.586 nan 8.180 nan 0.000 0.515 48 H N -0.738 118.583 119.070 0.418 0.000 2.321 48 H HA -0.148 4.407 4.556 -0.001 0.000 0.300 48 H C 2.039 177.367 175.328 -0.001 0.000 1.087 48 H CA 1.408 57.560 56.048 0.174 0.000 1.319 48 H CB -0.262 29.574 29.762 0.124 0.000 1.379 48 H HN 0.044 nan 8.280 nan 0.000 0.501 49 N N 0.231 118.957 118.700 0.043 0.000 2.244 49 N HA -0.140 4.599 4.740 -0.001 0.000 0.183 49 N C 0.701 175.767 175.510 -0.740 0.000 1.016 49 N CA 0.479 53.291 53.050 -0.396 0.000 0.866 49 N CB -0.195 38.007 38.487 -0.476 0.000 0.980 49 N HN 0.194 nan 8.380 nan 0.000 0.430 53 N N 1.042 119.683 118.700 -0.099 0.000 2.120 53 N HA -0.098 4.642 4.740 -0.001 0.000 0.188 53 N C 1.665 177.192 175.510 0.029 0.000 1.024 53 N CA 1.792 54.798 53.050 -0.074 0.000 0.852 53 N CB 0.019 38.384 38.487 -0.202 0.000 1.003 53 N HN 0.072 nan 8.380 nan 0.000 0.424 54 V N 1.683 121.653 119.914 0.092 0.000 2.358 54 V HA -0.166 3.954 4.120 -0.001 0.000 0.246 54 V C 2.412 178.537 176.094 0.052 0.000 1.047 54 V CA 1.768 64.130 62.300 0.105 0.000 1.035 54 V CB -0.791 31.129 31.823 0.163 0.000 0.658 54 V HN 0.282 nan 8.190 nan 0.000 0.452 55 A N -0.248 122.630 122.820 0.096 0.000 1.930 55 A HA -0.043 4.277 4.320 -0.001 0.000 0.217 55 A C 2.392 180.075 177.584 0.166 0.000 1.175 55 A CA 1.830 53.953 52.037 0.144 0.000 0.627 55 A CB -0.634 18.486 19.000 0.200 0.000 0.815 55 A HN 0.552 nan 8.150 nan 0.000 0.443 56 A N -0.211 122.709 122.820 0.167 0.000 1.898 56 A HA -0.011 4.309 4.320 -0.001 0.000 0.216 56 A C 2.132 179.638 177.584 -0.130 0.000 1.181 56 A CA 1.458 53.435 52.037 -0.099 0.000 0.620 56 A CB -0.547 18.417 19.000 -0.061 0.000 0.819 56 A HN 0.459 nan 8.150 nan 0.000 0.442 57 L N -0.796 120.380 121.223 -0.078 0.000 2.093 57 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 57 L C 2.466 179.253 176.870 -0.138 0.000 1.085 57 L CA 0.706 55.485 54.840 -0.101 0.000 0.755 57 L CB -0.409 41.611 42.059 -0.066 0.000 0.904 57 L HN 0.346 nan 8.230 nan 0.000 0.435 58 L N -0.156 120.968 121.223 -0.165 0.000 2.131 58 L HA -0.233 4.107 4.340 -0.001 0.000 0.210 58 L C 2.682 179.430 176.870 -0.204 0.000 1.092 58 L CA 1.273 55.945 54.840 -0.281 0.000 0.759 58 L CB -0.357 41.453 42.059 -0.414 0.000 0.903 58 L HN 0.253 nan 8.230 nan 0.000 0.435 59 K N -0.533 119.777 120.400 -0.149 0.000 2.025 59 K HA -0.151 4.169 4.320 -0.001 0.000 0.207 59 K C 2.035 178.563 176.600 -0.121 0.000 1.049 59 K CA 1.775 57.983 56.287 -0.132 0.000 0.933 59 K CB -0.038 32.340 32.500 -0.203 0.000 0.714 59 K HN 0.127 nan 8.250 nan 0.000 0.438 60 T N 1.607 116.078 114.554 -0.138 0.000 2.674 60 T HA -0.136 4.214 4.350 -0.001 0.000 0.265 60 T C 1.215 175.861 174.700 -0.090 0.000 1.039 60 T CA 1.710 63.742 62.100 -0.115 0.000 1.150 60 T CB -0.386 68.403 68.868 -0.131 0.000 0.864 60 T HN 0.313 nan 8.240 nan 0.000 0.427 61 D N 1.243 121.579 120.400 -0.106 0.000 2.104 61 D HA -0.037 4.602 4.640 -0.001 0.000 0.194 61 D C 2.348 178.612 176.300 -0.059 0.000 0.994 61 D CA 1.353 55.298 54.000 -0.090 0.000 0.830 61 D CB -0.497 40.230 40.800 -0.122 0.000 0.959 61 D HN 0.406 nan 8.370 nan 0.000 0.452 62 A N 0.256 123.040 122.820 -0.059 0.000 1.930 62 A HA -0.134 4.186 4.320 -0.001 0.000 0.217 62 A C 2.360 179.978 177.584 0.057 0.000 1.175 62 A CA 1.929 53.970 52.037 0.007 0.000 0.627 62 A CB -0.766 18.246 19.000 0.021 0.000 0.815 62 A HN 0.208 nan 8.150 nan 0.000 0.443 63 T N 0.795 115.372 114.554 0.037 0.000 2.737 63 T HA -0.123 4.227 4.350 -0.001 0.000 0.265 63 T C 1.833 176.591 174.700 0.097 0.000 1.038 63 T CA 1.480 63.633 62.100 0.089 0.000 1.144 63 T CB -0.387 68.500 68.868 0.032 0.000 0.866 63 T HN 0.486 nan 8.240 nan 0.000 0.434 64 N N 1.235 119.954 118.700 0.031 0.000 2.166 64 N HA -0.027 4.712 4.740 -0.001 0.000 0.186 64 N C 1.726 177.257 175.510 0.036 0.000 1.019 64 N CA 0.579 53.640 53.050 0.018 0.000 0.856 64 N CB -0.580 37.897 38.487 -0.017 0.000 0.993 64 N HN 0.206 nan 8.380 nan 0.000 0.426 65 L N 0.199 121.436 121.223 0.023 0.000 1.994 65 L HA -0.132 4.208 4.340 -0.001 0.000 0.208 65 L C 2.179 179.089 176.870 0.066 0.000 1.071 65 L CA 1.587 56.411 54.840 -0.027 0.000 0.745 65 L CB -1.179 40.773 42.059 -0.177 0.000 0.892 65 L HN 0.158 nan 8.230 nan 0.000 0.431 66 Y N 0.517 120.825 120.300 0.013 0.000 2.181 66 Y HA -0.235 4.315 4.550 -0.000 0.000 0.288 66 Y C 2.351 178.357 175.900 0.175 0.000 1.146 66 Y CA 2.046 60.225 58.100 0.132 0.000 1.164 66 Y CB -0.497 38.034 38.460 0.119 0.000 0.982 66 Y HN 0.356 nan 8.280 nan 0.000 0.515 67 N N 0.551 119.222 118.700 -0.049 0.000 2.244 67 N HA -0.134 4.606 4.740 -0.001 0.000 0.183 67 N C 1.991 177.484 175.510 -0.029 0.000 1.016 67 N CA 1.366 54.347 53.050 -0.115 0.000 0.866 67 N CB -0.739 37.742 38.487 -0.009 0.000 0.980 67 N HN 0.530 nan 8.380 nan 0.000 0.430 68 A N -0.285 122.566 122.820 0.052 0.000 1.902 68 A HA -0.116 4.203 4.320 -0.001 0.000 0.217 68 A C 2.034 179.671 177.584 0.088 0.000 1.181 68 A CA 1.060 53.151 52.037 0.090 0.000 0.623 68 A CB -0.890 18.161 19.000 0.085 0.000 0.818 68 A HN 0.379 nan 8.150 nan 0.000 0.443 69 W N -0.767 120.535 121.300 0.004 0.000 2.481 69 W HA 0.043 4.703 4.660 -0.000 0.000 0.293 69 W C 2.226 178.735 176.519 -0.016 0.000 1.201 69 W CA 1.198 58.576 57.345 0.056 0.000 1.328 69 W CB -0.172 29.357 29.460 0.113 0.000 1.112 69 W HN 0.446 nan 8.180 nan 0.000 0.546 70 N N -1.744 116.977 118.700 0.035 0.000 2.395 70 N HA -0.049 4.691 4.740 -0.001 0.000 0.175 70 N C 1.484 176.949 175.510 -0.076 0.000 1.029 70 N CA 1.517 54.496 53.050 -0.118 0.000 0.897 70 N CB 0.094 38.239 38.487 -0.570 0.000 0.991 70 N HN -0.164 nan 8.380 nan 0.000 0.441 71 S N -1.951 113.708 115.700 -0.068 0.000 3.066 71 S HA 0.312 4.782 4.470 -0.001 0.000 0.235 71 S C -0.238 174.374 174.600 0.020 0.000 0.995 71 S CA -0.347 57.839 58.200 -0.024 0.000 0.835 71 S CB 0.329 63.505 63.200 -0.040 0.000 0.814 71 S HN 0.210 nan 8.310 nan 0.000 0.594 72 S N -0.028 115.695 115.700 0.038 0.000 2.562 72 S HA 0.553 5.022 4.470 -0.001 0.000 0.274 72 S C -2.026 172.646 174.600 0.120 0.000 1.160 72 S CA -0.599 57.642 58.200 0.069 0.000 0.933 72 S CB 1.145 64.366 63.200 0.035 0.000 1.100 72 S HN 0.388 nan 8.310 nan 0.000 0.468 73 Y N 4.463 124.766 120.300 0.006 0.000 2.341 73 Y HA 0.544 5.094 4.550 -0.001 0.000 0.338 73 Y C 0.385 176.298 175.900 0.022 0.000 0.965 73 Y CA -0.376 57.732 58.100 0.014 0.000 1.108 73 Y CB 0.976 39.474 38.460 0.063 0.000 1.180 73 Y HN 0.930 nan 8.280 nan 0.000 0.458 74 K N 4.870 125.015 120.400 -0.426 0.000 3.035 74 K HA -0.239 4.081 4.320 -0.001 0.000 0.262 74 K C 0.865 177.361 176.600 -0.174 0.000 1.024 74 K CA 0.978 57.029 56.287 -0.395 0.000 0.748 74 K CB -1.649 30.463 32.500 -0.647 0.000 1.247 74 K HN 1.363 nan 8.250 nan 0.000 0.482 75 G N -2.006 106.739 108.800 -0.092 0.000 2.168 75 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.263 75 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.263 75 G C 0.466 175.357 174.900 -0.014 0.000 0.977 75 G CA 0.701 45.775 45.100 -0.042 0.000 0.659 75 G HN 0.800 nan 8.290 nan 0.000 0.533 76 G N -0.848 107.954 108.800 0.004 0.000 3.135 76 G HA2 0.644 4.604 3.960 -0.001 0.000 0.159 76 G HA3 0.644 4.604 3.960 -0.001 0.000 0.159 76 G C -0.028 174.913 174.900 0.069 0.000 1.244 76 G CA -0.097 45.027 45.100 0.039 0.000 0.965 76 G HN 0.457 nan 8.290 nan 0.000 0.599 77 E N 0.259 120.509 120.200 0.083 0.000 2.409 77 E HA 0.320 4.670 4.350 -0.001 0.000 0.257 77 E C 0.597 177.260 176.600 0.104 0.000 1.150 77 E CA 0.046 56.488 56.400 0.070 0.000 0.942 77 E CB 0.656 30.382 29.700 0.042 0.000 0.979 77 E HN 0.493 nan 8.360 nan 0.000 0.447 78 S N 0.562 116.303 115.700 0.068 0.000 2.579 78 S HA -0.060 4.410 4.470 -0.001 0.000 0.275 78 S C 0.653 175.263 174.600 0.017 0.000 1.345 78 S CA -0.371 57.873 58.200 0.073 0.000 1.031 78 S CB 0.398 63.636 63.200 0.064 0.000 0.892 78 S HN 0.607 nan 8.310 nan 0.000 0.529 79 Y N 2.614 122.782 120.300 -0.220 0.000 2.293 79 Y HA 0.012 4.562 4.550 -0.000 0.000 0.291 79 Y C 2.468 178.153 175.900 -0.358 0.000 1.137 79 Y CA 1.593 59.350 58.100 -0.572 0.000 1.202 79 Y CB -0.841 36.870 38.460 -1.248 0.000 0.990 79 Y HN 0.912 nan 8.280 nan 0.000 0.537 80 A N -0.407 122.468 122.820 0.091 0.000 1.883 80 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 80 A C 2.470 180.144 177.584 0.150 0.000 1.186 80 A CA 2.327 54.557 52.037 0.321 0.000 0.624 80 A CB -1.344 17.874 19.000 0.363 0.000 0.822 80 A HN 0.557 nan 8.150 nan 0.000 0.444 81 S N 0.039 115.772 115.700 0.056 0.000 2.368 81 S HA -0.102 4.368 4.470 -0.001 0.000 0.225 81 S C 1.932 176.504 174.600 -0.046 0.000 1.030 81 S CA 1.476 59.685 58.200 0.014 0.000 0.999 81 S CB -0.800 62.405 63.200 0.009 0.000 0.844 81 S HN 0.433 nan 8.310 nan 0.000 0.459 82 L N -0.608 120.540 121.223 -0.126 0.000 2.046 82 L HA 0.012 4.351 4.340 -0.001 0.000 0.208 82 L C 2.567 179.343 176.870 -0.156 0.000 1.077 82 L CA 1.696 56.423 54.840 -0.187 0.000 0.747 82 L CB -0.581 41.281 42.059 -0.327 0.000 0.896 82 L HN 0.279 nan 8.230 nan 0.000 0.432 83 F N 0.809 120.543 119.950 -0.361 0.000 2.146 83 F HA -0.160 4.366 4.527 -0.000 0.000 0.298 83 F C 2.452 178.266 175.800 0.023 0.000 1.096 83 F CA 1.478 59.379 58.000 -0.166 0.000 1.275 83 F CB -0.075 38.873 39.000 -0.086 0.000 1.008 83 F HN -0.138 nan 8.300 nan 0.000 0.480 84 K N -0.382 120.085 120.400 0.112 0.000 2.148 84 K HA -0.042 4.278 4.320 -0.001 0.000 0.204 84 K C 2.114 178.595 176.600 -0.198 0.000 1.050 84 K CA 0.999 57.311 56.287 0.042 0.000 0.942 84 K CB -0.300 32.253 32.500 0.089 0.000 0.724 84 K HN 0.298 nan 8.250 nan 0.000 0.446 85 A N 1.344 124.004 122.820 -0.266 0.000 2.021 85 A HA -0.082 4.238 4.320 -0.001 0.000 0.216 85 A C 0.099 177.220 177.584 -0.770 0.000 1.163 85 A CA 0.829 52.599 52.037 -0.445 0.000 0.676 85 A CB -0.706 18.165 19.000 -0.217 0.000 0.818 85 A HN 0.629 nan 8.150 nan 0.000 0.453 86 H N 0.352 119.360 119.070 -0.103 0.000 2.394 86 H HA -0.100 4.455 4.556 -0.001 0.000 0.322 86 H C -0.137 175.166 175.328 -0.042 0.000 1.012 86 H CA 0.235 56.230 56.048 -0.089 0.000 1.084 86 H CB -2.723 26.944 29.762 -0.159 0.000 1.597 86 H HN 0.469 nan 8.280 nan 0.000 0.375 87 S N 0.380 116.077 115.700 -0.006 0.000 2.461 87 S HA 0.666 5.136 4.470 -0.001 0.000 0.322 87 S C 1.012 175.624 174.600 0.021 0.000 1.063 87 S CA -0.112 58.091 58.200 0.006 0.000 1.120 87 S CB 1.420 64.601 63.200 -0.032 0.000 0.968 87 S HN 1.863 nan 8.310 nan 0.000 0.467 88 G N 2.821 111.639 108.800 0.030 0.000 2.782 88 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.228 88 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.228 88 G C -0.223 174.679 174.900 0.005 0.000 1.372 88 G CA -0.582 44.527 45.100 0.015 0.000 0.862 88 G HN 1.196 nan 8.290 nan 0.000 0.547 89 S N 1.993 117.683 115.700 -0.016 0.000 2.549 89 S HA 0.399 4.869 4.470 -0.001 0.000 0.286 89 S C -0.414 174.148 174.600 -0.064 0.000 1.314 89 S CA 0.180 58.347 58.200 -0.055 0.000 1.062 89 S CB 1.419 64.596 63.200 -0.039 0.000 0.865 89 S HN 0.715 nan 8.310 nan 0.000 0.498 90 P HA 0.103 nan 4.420 nan 0.000 0.245 90 P C -0.824 176.089 177.300 -0.645 0.000 1.203 90 P CA 0.534 63.377 63.100 -0.429 0.000 0.792 90 P CB 0.157 31.526 31.700 -0.553 0.000 0.997 91 Y N -0.113 120.215 120.300 0.046 0.000 2.526 91 Y HA 0.575 5.124 4.550 -0.000 0.000 0.328 91 Y C 1.101 176.997 175.900 -0.008 0.000 0.995 91 Y CA -0.940 57.154 58.100 -0.009 0.000 1.304 91 Y CB 0.979 39.402 38.460 -0.062 0.000 1.096 91 Y HN -0.139 nan 8.280 nan 0.000 0.499 92 A N 1.640 124.505 122.820 0.075 0.000 2.308 92 A HA 0.415 4.735 4.320 -0.001 0.000 0.217 92 A C 0.565 178.184 177.584 0.059 0.000 1.216 92 A CA 0.617 52.691 52.037 0.062 0.000 0.864 92 A CB -0.057 18.955 19.000 0.021 0.000 0.902 92 A HN 0.539 nan 8.150 nan 0.000 0.499 93 S N -3.513 112.160 115.700 -0.046 0.000 2.588 93 S HA 0.619 5.088 4.470 -0.001 0.000 0.269 93 S C 0.692 174.855 174.600 -0.728 0.000 1.157 93 S CA -0.003 58.041 58.200 -0.260 0.000 0.824 93 S CB 1.066 64.175 63.200 -0.151 0.000 1.126 93 S HN 0.907 nan 8.310 nan 0.000 0.464 94 A N 0.539 122.746 122.820 -1.021 0.000 1.972 94 A HA 0.051 4.370 4.320 -0.001 0.000 0.219 94 A C 1.989 179.335 177.584 -0.397 0.000 1.169 94 A CA 1.690 53.242 52.037 -0.809 0.000 0.635 94 A CB -0.971 17.751 19.000 -0.463 0.000 0.810 94 A HN 1.148 nan 8.150 nan 0.000 0.446 95 L N 0.024 121.087 121.223 -0.267 0.000 2.046 95 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 95 L C 2.411 179.201 176.870 -0.133 0.000 1.077 95 L CA 2.630 57.375 54.840 -0.158 0.000 0.747 95 L CB -0.807 41.188 42.059 -0.107 0.000 0.896 95 L HN 0.266 nan 8.230 nan 0.000 0.432 96 S N -1.200 114.428 115.700 -0.121 0.000 2.370 96 S HA -0.218 4.252 4.470 -0.001 0.000 0.226 96 S C 2.054 176.644 174.600 -0.017 0.000 1.033 96 S CA 1.443 59.639 58.200 -0.007 0.000 1.011 96 S CB -0.818 62.423 63.200 0.069 0.000 0.852 96 S HN 0.666 nan 8.310 nan 0.000 0.457 97 C N 0.843 119.990 119.300 -0.255 0.000 2.436 97 C HA -0.007 4.453 4.460 -0.001 0.000 0.277 97 C C 2.654 177.495 174.990 -0.249 0.000 1.241 97 C CA 0.397 59.107 59.018 -0.513 0.000 1.721 97 C CB -1.318 25.894 27.740 -0.881 0.000 2.043 97 C HN 0.413 nan 8.230 nan 0.000 0.472 98 V N 0.905 120.690 119.914 -0.215 0.000 2.490 98 V HA -0.197 3.922 4.120 -0.001 0.000 0.250 98 V C 2.372 178.404 176.094 -0.103 0.000 1.061 98 V CA 1.808 64.013 62.300 -0.159 0.000 1.064 98 V CB -0.747 31.001 31.823 -0.126 0.000 0.670 98 V HN 0.614 nan 8.190 nan 0.000 0.461 99 E N -0.215 119.942 120.200 -0.071 0.000 2.150 99 E HA -0.255 4.094 4.350 -0.001 0.000 0.193 99 E C 2.209 178.789 176.600 -0.033 0.000 0.985 99 E CA 1.220 57.602 56.400 -0.030 0.000 0.814 99 E CB -0.001 29.697 29.700 -0.004 0.000 0.752 99 E HN 0.587 nan 8.360 nan 0.000 0.466 100 E N 1.228 121.392 120.200 -0.061 0.000 2.072 100 E HA -0.139 4.211 4.350 -0.001 0.000 0.191 100 E C 1.874 178.345 176.600 -0.215 0.000 0.985 100 E CA 0.857 57.172 56.400 -0.142 0.000 0.801 100 E CB -0.145 29.391 29.700 -0.272 0.000 0.750 100 E HN 0.195 nan 8.360 nan 0.000 0.452 101 I N -0.384 120.058 120.570 -0.212 0.000 2.127 101 I HA -0.287 3.882 4.170 -0.001 0.000 0.241 101 I C 2.207 178.306 176.117 -0.030 0.000 1.075 101 I CA 1.028 62.227 61.300 -0.168 0.000 1.334 101 I CB -0.272 37.492 38.000 -0.392 0.000 1.040 101 I HN 0.055 nan 8.210 nan 0.000 0.405 102 V N 0.495 120.392 119.914 -0.030 0.000 2.358 102 V HA -0.276 3.844 4.120 -0.001 0.000 0.246 102 V C 2.071 178.176 176.094 0.020 0.000 1.047 102 V CA 1.906 64.215 62.300 0.015 0.000 1.035 102 V CB -0.681 31.153 31.823 0.019 0.000 0.658 102 V HN 0.380 nan 8.190 nan 0.000 0.452 103 D N 0.117 120.523 120.400 0.010 0.000 2.123 103 D HA -0.149 4.491 4.640 -0.001 0.000 0.196 103 D C 2.243 178.570 176.300 0.047 0.000 0.992 103 D CA 1.110 55.125 54.000 0.025 0.000 0.833 103 D CB -0.196 40.620 40.800 0.027 0.000 0.954 103 D HN 0.280 nan 8.370 nan 0.000 0.455 104 K N 0.043 120.482 120.400 0.065 0.000 2.288 104 K HA 0.010 4.330 4.320 -0.001 0.000 0.201 104 K C 2.242 178.908 176.600 0.111 0.000 1.048 104 K CA 0.128 56.491 56.287 0.126 0.000 0.956 104 K CB -0.528 32.114 32.500 0.238 0.000 0.746 104 K HN 0.244 nan 8.250 nan 0.000 0.461 105 C N 0.670 120.027 119.300 0.095 0.000 2.476 105 C HA -0.003 4.456 4.460 -0.001 0.000 0.278 105 C C 2.864 177.865 174.990 0.018 0.000 1.274 105 C CA 0.862 59.919 59.018 0.065 0.000 1.713 105 C CB -0.782 26.998 27.740 0.067 0.000 2.039 105 C HN 0.512 nan 8.230 nan 0.000 0.484 106 A N 0.459 123.287 122.820 0.014 0.000 1.908 106 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 106 A C 1.972 179.556 177.584 -0.001 0.000 1.181 106 A CA 1.840 53.875 52.037 -0.003 0.000 0.627 106 A CB -0.609 18.392 19.000 0.001 0.000 0.818 106 A HN 0.723 nan 8.150 nan 0.000 0.445 107 E N -1.038 119.173 120.200 0.019 0.000 2.077 107 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 107 E C 1.833 178.435 176.600 0.004 0.000 0.989 107 E CA 1.272 57.686 56.400 0.024 0.000 0.800 107 E CB -0.222 29.510 29.700 0.054 0.000 0.746 107 E HN 0.588 nan 8.360 nan 0.000 0.452 108 I N 0.719 121.285 120.570 -0.006 0.000 2.439 108 I HA -0.142 4.028 4.170 -0.001 0.000 0.251 108 I C 2.032 178.109 176.117 -0.067 0.000 1.139 108 I CA 0.921 62.196 61.300 -0.041 0.000 1.438 108 I CB -0.209 37.752 38.000 -0.065 0.000 1.085 108 I HN -0.006 nan 8.210 nan 0.000 0.427 109 A N 0.084 122.869 122.820 -0.060 0.000 1.930 109 A HA -0.256 4.064 4.320 -0.001 0.000 0.217 109 A C 2.182 179.721 177.584 -0.075 0.000 1.175 109 A CA 2.027 54.017 52.037 -0.078 0.000 0.627 109 A CB -1.077 17.881 19.000 -0.070 0.000 0.815 109 A HN 0.570 nan 8.150 nan 0.000 0.443 110 N N -0.307 118.362 118.700 -0.051 0.000 2.084 110 N HA -0.200 4.540 4.740 -0.001 0.000 0.190 110 N C 1.800 177.279 175.510 -0.052 0.000 1.030 110 N CA 1.886 54.910 53.050 -0.043 0.000 0.849 110 N CB -0.257 38.218 38.487 -0.019 0.000 1.012 110 N HN 0.617 nan 8.380 nan 0.000 0.423 111 E N -0.479 119.692 120.200 -0.049 0.000 2.051 111 E HA -0.142 4.208 4.350 -0.001 0.000 0.192 111 E C 1.818 178.344 176.600 -0.123 0.000 0.991 111 E CA 1.163 57.529 56.400 -0.057 0.000 0.799 111 E CB 0.017 29.699 29.700 -0.031 0.000 0.748 111 E HN 0.199 nan 8.360 nan 0.000 0.449 112 V N 0.565 120.379 119.914 -0.166 0.000 2.255 112 V HA -0.242 3.878 4.120 -0.001 0.000 0.247 112 V C 2.360 178.302 176.094 -0.254 0.000 1.051 112 V CA 2.098 64.231 62.300 -0.277 0.000 1.018 112 V CB -0.976 30.707 31.823 -0.234 0.000 0.641 112 V HN 0.511 nan 8.190 nan 0.000 0.445 113 G N -0.201 108.497 108.800 -0.169 0.000 2.404 113 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.214 113 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.214 113 G C 1.781 176.618 174.900 -0.105 0.000 1.189 113 G CA 1.541 46.554 45.100 -0.145 0.000 0.789 113 G HN 0.564 nan 8.290 nan 0.000 0.533 114 T N -2.207 112.305 114.554 -0.071 0.000 3.014 114 T HA 0.496 4.845 4.350 -0.001 0.000 0.263 114 T C 2.128 176.828 174.700 -0.000 0.000 1.078 114 T CA 1.574 63.658 62.100 -0.027 0.000 1.135 114 T CB 0.214 69.073 68.868 -0.014 0.000 0.895 114 T HN 0.334 nan 8.240 nan 0.000 0.480 115 A N 1.454 124.259 122.820 -0.024 0.000 2.016 115 A HA 0.406 4.725 4.320 -0.001 0.000 0.202 115 A C 2.246 179.829 177.584 -0.000 0.000 1.632 115 A CA 0.137 52.180 52.037 0.011 0.000 0.891 115 A CB -0.016 18.995 19.000 0.018 0.000 1.103 115 A HN 0.305 nan 8.150 nan 0.000 0.547 116 K N 0.078 120.397 120.400 -0.135 0.000 2.026 116 K HA -0.038 4.281 4.320 -0.001 0.000 0.208 116 K C 1.721 178.242 176.600 -0.132 0.000 1.048 116 K CA 1.786 57.902 56.287 -0.286 0.000 0.929 116 K CB -0.288 31.688 32.500 -0.873 0.000 0.713 116 K HN 0.511 nan 8.250 nan 0.000 0.439 117 I N -0.188 120.282 120.570 -0.167 0.000 2.556 117 I HA -0.051 4.119 4.170 -0.001 0.000 0.251 117 I C 2.523 178.755 176.117 0.193 0.000 1.105 117 I CA 0.763 62.057 61.300 -0.011 0.000 1.436 117 I CB -0.445 37.388 38.000 -0.278 0.000 1.139 117 I HN 0.203 nan 8.210 nan 0.000 0.438 118 G N 0.762 109.614 108.800 0.086 0.000 2.418 118 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.217 118 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.217 118 G C 1.216 176.239 174.900 0.204 0.000 1.158 118 G CA 0.835 46.021 45.100 0.144 0.000 0.771 118 G HN 0.242 nan 8.290 nan 0.000 0.545 119 D N 1.351 121.849 120.400 0.164 0.000 2.084 119 D HA -0.065 4.574 4.640 -0.001 0.000 0.194 119 D C 0.198 176.607 176.300 0.182 0.000 0.990 119 D CA 1.130 55.223 54.000 0.156 0.000 0.826 119 D CB -1.370 39.514 40.800 0.141 0.000 0.971 119 D HN 0.227 nan 8.370 nan 0.000 0.453 120 P HA -0.151 nan 4.420 nan 0.000 0.215 120 P C 1.473 178.897 177.300 0.207 0.000 1.153 120 P CA 0.989 64.206 63.100 0.195 0.000 0.853 120 P CB -0.166 31.654 31.700 0.201 0.000 0.788 121 Y N 1.196 121.603 120.300 0.178 0.000 2.097 121 Y HA -0.262 4.287 4.550 -0.001 0.000 0.282 121 Y C 1.907 177.884 175.900 0.128 0.000 1.152 121 Y CA 1.988 60.175 58.100 0.143 0.000 1.136 121 Y CB -1.261 37.280 38.460 0.135 0.000 0.975 121 Y HN -0.071 nan 8.280 nan 0.000 0.498 122 N N -0.088 118.708 118.700 0.161 0.000 2.166 122 N HA -0.208 4.532 4.740 -0.001 0.000 0.186 122 N C 1.785 177.295 175.510 0.000 0.000 1.019 122 N CA 1.457 54.545 53.050 0.063 0.000 0.856 122 N CB -0.307 38.252 38.487 0.120 0.000 0.993 122 N HN 0.323 nan 8.380 nan 0.000 0.426 123 L N -0.532 120.712 121.223 0.034 0.000 2.046 123 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 123 L C 2.156 179.003 176.870 -0.037 0.000 1.077 123 L CA 1.076 55.919 54.840 0.004 0.000 0.747 123 L CB -0.391 41.682 42.059 0.024 0.000 0.896 123 L HN 0.257 nan 8.230 nan 0.000 0.432 124 Y N 0.729 120.939 120.300 -0.150 0.000 2.163 124 Y HA -0.216 4.334 4.550 -0.001 0.000 0.288 124 Y C 2.574 178.344 175.900 -0.217 0.000 1.136 124 Y CA 1.500 59.486 58.100 -0.191 0.000 1.147 124 Y CB 0.078 38.406 38.460 -0.219 0.000 0.987 124 Y HN -0.058 nan 8.280 nan 0.000 0.509 125 K N -0.220 120.126 120.400 -0.090 0.000 2.211 125 K HA -0.020 4.300 4.320 -0.001 0.000 0.203 125 K C 1.996 178.542 176.600 -0.090 0.000 1.050 125 K CA 0.970 57.175 56.287 -0.137 0.000 0.945 125 K CB -0.433 31.895 32.500 -0.288 0.000 0.732 125 K HN 0.363 nan 8.250 nan 0.000 0.451 126 A N 0.022 122.792 122.820 -0.084 0.000 2.206 126 A HA 0.185 4.504 4.320 -0.001 0.000 0.211 126 A C 1.451 178.983 177.584 -0.087 0.000 1.158 126 A CA 1.258 53.257 52.037 -0.065 0.000 0.761 126 A CB -0.145 18.828 19.000 -0.044 0.000 0.801 126 A HN 0.385 nan 8.150 nan 0.000 0.473 127 G N -0.709 108.009 108.800 -0.137 0.000 2.195 127 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.224 127 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.224 127 G C -0.005 174.772 174.900 -0.204 0.000 0.990 127 G CA 0.113 45.109 45.100 -0.174 0.000 0.639 127 G HN 0.575 nan 8.290 nan 0.000 0.514 128 N N 1.821 120.415 118.700 -0.176 0.000 3.245 128 N HA 0.384 5.124 4.740 -0.001 0.000 0.296 128 N C 1.636 177.010 175.510 -0.227 0.000 1.254 128 N CA 0.558 53.514 53.050 -0.156 0.000 1.190 128 N CB 0.783 39.220 38.487 -0.083 0.000 1.460 128 N HN 0.472 nan 8.380 nan 0.000 0.538 129 T N -2.509 111.821 114.554 -0.373 0.000 2.867 129 T HA -0.207 4.143 4.350 -0.001 0.000 0.268 129 T C 1.565 176.068 174.700 -0.328 0.000 1.057 129 T CA 0.897 62.681 62.100 -0.527 0.000 1.136 129 T CB -0.066 68.334 68.868 -0.780 0.000 0.874 129 T HN 0.446 nan 8.240 nan 0.000 0.466 130 E N 1.172 121.218 120.200 -0.257 0.000 2.038 130 E HA -0.229 4.121 4.350 -0.001 0.000 0.195 130 E C 2.228 178.685 176.600 -0.238 0.000 1.000 130 E CA 1.559 57.805 56.400 -0.256 0.000 0.803 130 E CB -0.111 29.523 29.700 -0.109 0.000 0.750 130 E HN 0.581 nan 8.360 nan 0.000 0.448 131 E N 0.288 120.445 120.200 -0.072 0.000 2.110 131 E HA -0.142 4.207 4.350 -0.001 0.000 0.193 131 E C 1.800 178.396 176.600 -0.005 0.000 0.988 131 E CA 1.184 57.603 56.400 0.032 0.000 0.804 131 E CB -0.264 29.454 29.700 0.031 0.000 0.745 131 E HN 0.401 nan 8.360 nan 0.000 0.458 132 A N 0.552 123.335 122.820 -0.062 0.000 1.883 132 A HA -0.192 4.128 4.320 -0.001 0.000 0.217 132 A C 2.172 179.703 177.584 -0.089 0.000 1.186 132 A CA 1.382 53.409 52.037 -0.018 0.000 0.624 132 A CB -0.754 18.273 19.000 0.045 0.000 0.822 132 A HN 0.216 nan 8.150 nan 0.000 0.444 133 L N -2.224 118.846 121.223 -0.255 0.000 2.093 133 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 133 L C 2.403 178.910 176.870 -0.605 0.000 1.085 133 L CA 1.055 55.618 54.840 -0.462 0.000 0.755 133 L CB -0.569 41.130 42.059 -0.600 0.000 0.904 133 L HN 0.433 nan 8.230 nan 0.000 0.435 134 Y N -0.297 119.823 120.300 -0.300 0.000 2.457 134 Y HA 0.000 4.550 4.550 -0.001 0.000 0.292 134 Y C 2.486 178.511 175.900 0.208 0.000 1.125 134 Y CA 0.330 58.351 58.100 -0.132 0.000 1.254 134 Y CB -0.778 37.709 38.460 0.044 0.000 1.012 134 Y HN 0.085 nan 8.280 nan 0.000 0.555 135 A N -0.263 122.731 122.820 0.291 0.000 2.119 135 A HA 0.054 4.374 4.320 -0.001 0.000 0.217 135 A C 0.958 178.905 177.584 0.606 0.000 1.153 135 A CA 0.217 52.485 52.037 0.385 0.000 0.692 135 A CB -0.802 18.335 19.000 0.228 0.000 0.799 135 A HN 0.040 nan 8.150 nan 0.000 0.458 136 V N 2.047 122.234 119.914 0.454 0.000 2.425 136 V HA 0.013 4.133 4.120 -0.001 0.000 0.276 136 V C 0.583 176.847 176.094 0.283 0.000 1.017 136 V CA -0.201 62.341 62.300 0.403 0.000 1.062 136 V CB 0.035 31.967 31.823 0.181 0.000 0.997 136 V HN 0.591 nan 8.190 nan 0.000 0.476 137 E N 3.904 124.092 120.200 -0.020 0.000 2.376 137 E HA 0.123 4.473 4.350 -0.001 0.000 0.266 137 E C 0.634 176.948 176.600 -0.476 0.000 1.009 137 E CA 0.551 56.356 56.400 -0.992 0.000 0.902 137 E CB 0.304 29.673 29.700 -0.553 0.000 0.972 137 E HN 0.855 nan 8.360 nan 0.000 0.439 138 S N 2.793 118.041 115.700 -0.753 0.000 3.315 138 S HA -0.150 4.319 4.470 -0.001 0.000 0.283 138 S C 0.594 175.136 174.600 -0.098 0.000 1.279 138 S CA 0.849 58.942 58.200 -0.179 0.000 0.984 138 S CB -1.812 61.479 63.200 0.152 0.000 1.184 138 S HN 0.867 nan 8.310 nan 0.000 0.653 139 W N 0.978 122.131 121.300 -0.245 0.000 2.402 139 W HA -0.166 4.494 4.660 -0.000 0.000 0.286 139 W C 1.170 177.800 176.519 0.184 0.000 1.221 139 W CA 1.250 58.606 57.345 0.018 0.000 1.257 139 W CB -0.946 28.551 29.460 0.062 0.000 1.120 139 W HN 0.489 nan 8.180 nan 0.000 0.551 140 Y N 2.951 122.844 120.300 -0.679 0.000 2.193 140 Y HA -0.240 4.310 4.550 -0.000 0.000 0.285 140 Y C 2.942 178.564 175.900 -0.463 0.000 1.166 140 Y CA 2.129 59.763 58.100 -0.776 0.000 1.181 140 Y CB -1.468 36.611 38.460 -0.635 0.000 0.976 140 Y HN 0.081 nan 8.280 nan 0.000 0.520 141 S N -3.561 111.903 115.700 -0.393 0.000 2.554 141 S HA 0.054 4.524 4.470 -0.001 0.000 0.226 141 S C -0.260 174.301 174.600 -0.064 0.000 0.980 141 S CA -0.288 57.463 58.200 -0.750 0.000 0.939 141 S CB -0.603 61.672 63.200 -1.543 0.000 0.832 141 S HN 0.455 nan 8.310 nan 0.000 0.486 142 W N 1.686 122.962 121.300 -0.040 0.000 5.538 142 W HA -0.221 4.439 4.660 -0.000 0.000 0.377 142 W C 0.604 177.165 176.519 0.070 0.000 1.406 142 W CA 0.689 58.072 57.345 0.064 0.000 0.940 142 W CB -2.924 26.587 29.460 0.085 0.000 2.536 142 W HN 0.824 nan 8.180 nan 0.000 1.504 143 H N -0.668 118.471 119.070 0.115 0.000 2.652 143 H HA 0.197 4.753 4.556 -0.000 0.000 0.274 143 H C 2.043 177.316 175.328 -0.092 0.000 1.021 143 H CA 1.213 57.290 56.048 0.049 0.000 1.187 143 H CB 0.214 30.048 29.762 0.120 0.000 1.505 143 H HN -0.008 nan 8.280 nan 0.000 0.530 144 S N 0.217 115.761 115.700 -0.261 0.000 2.370 144 S HA -0.250 4.220 4.470 -0.001 0.000 0.226 144 S C 2.093 176.071 174.600 -1.036 0.000 1.033 144 S CA 1.173 58.939 58.200 -0.724 0.000 1.011 144 S CB -0.175 62.813 63.200 -0.352 0.000 0.852 144 S HN 0.485 nan 8.310 nan 0.000 0.457 145 R N 1.300 121.497 120.500 -0.505 0.000 2.083 145 R HA -0.059 4.281 4.340 -0.001 0.000 0.237 145 R C 2.112 178.178 176.300 -0.389 0.000 1.137 145 R CA 1.830 57.692 56.100 -0.397 0.000 0.951 145 R CB -0.497 29.689 30.300 -0.191 0.000 0.851 145 R HN 0.469 nan 8.270 nan 0.000 0.434 146 D N 0.193 120.371 120.400 -0.370 0.000 2.144 146 D HA -0.152 4.487 4.640 -0.001 0.000 0.200 146 D C 1.510 177.575 176.300 -0.393 0.000 0.978 146 D CA 0.995 54.819 54.000 -0.292 0.000 0.833 146 D CB -0.372 40.359 40.800 -0.115 0.000 0.961 146 D HN 0.171 nan 8.370 nan 0.000 0.470 147 D N -0.023 119.942 120.400 -0.724 0.000 2.078 147 D HA -0.192 4.448 4.640 -0.001 0.000 0.193 147 D C 1.863 178.086 176.300 -0.128 0.000 0.990 147 D CA 1.033 54.763 54.000 -0.450 0.000 0.827 147 D CB -0.144 40.379 40.800 -0.461 0.000 0.975 147 D HN 0.156 nan 8.370 nan 0.000 0.451 148 Y N 0.988 121.144 120.300 -0.239 0.000 2.293 148 Y HA -0.038 4.512 4.550 -0.000 0.000 0.291 148 Y C 2.785 178.525 175.900 -0.266 0.000 1.137 148 Y CA 0.985 58.952 58.100 -0.221 0.000 1.202 148 Y CB -1.355 36.967 38.460 -0.229 0.000 0.990 148 Y HN 0.018 nan 8.280 nan 0.000 0.537 149 T N 0.271 114.714 114.554 -0.186 0.000 2.746 149 T HA -0.154 4.195 4.350 -0.001 0.000 0.267 149 T C 1.769 176.199 174.700 -0.450 0.000 1.039 149 T CA 1.436 63.316 62.100 -0.365 0.000 1.142 149 T CB -0.284 68.372 68.868 -0.354 0.000 0.866 149 T HN 0.295 nan 8.240 nan 0.000 0.444 150 N N 1.550 120.127 118.700 -0.204 0.000 2.223 150 N HA -0.041 4.699 4.740 -0.001 0.000 0.185 150 N C 1.693 177.137 175.510 -0.111 0.000 1.016 150 N CA 0.948 53.962 53.050 -0.061 0.000 0.863 150 N CB -0.538 37.933 38.487 -0.027 0.000 0.983 150 N HN 0.574 nan 8.380 nan 0.000 0.429 151 N N 0.330 118.943 118.700 -0.145 0.000 2.120 151 N HA -0.066 4.674 4.740 -0.001 0.000 0.188 151 N C 1.355 176.772 175.510 -0.155 0.000 1.024 151 N CA 0.601 53.556 53.050 -0.159 0.000 0.852 151 N CB 0.055 38.468 38.487 -0.124 0.000 1.003 151 N HN 0.120 nan 8.380 nan 0.000 0.424 152 I N 0.406 120.854 120.570 -0.203 0.000 2.315 152 I HA -0.205 3.965 4.170 -0.001 0.000 0.248 152 I C 1.538 177.572 176.117 -0.137 0.000 1.117 152 I CA 1.232 62.406 61.300 -0.209 0.000 1.404 152 I CB -1.288 36.536 38.000 -0.292 0.000 1.071 152 I HN 0.177 nan 8.210 nan 0.000 0.419 153 Y N 0.770 121.003 120.300 -0.111 0.000 2.421 153 Y HA -0.107 4.443 4.550 -0.001 0.000 0.292 153 Y C 2.977 178.811 175.900 -0.110 0.000 1.136 153 Y CA 0.800 58.828 58.100 -0.119 0.000 1.255 153 Y CB -1.104 37.292 38.460 -0.106 0.000 0.991 153 Y HN 0.108 nan 8.280 nan 0.000 0.552 154 S N -0.022 115.689 115.700 0.019 0.000 2.368 154 S HA -0.156 4.314 4.470 -0.001 0.000 0.225 154 S C 2.056 176.692 174.600 0.060 0.000 1.030 154 S CA 1.298 59.486 58.200 -0.020 0.000 0.999 154 S CB -0.435 62.655 63.200 -0.183 0.000 0.844 154 S HN 0.424 nan 8.310 nan 0.000 0.459 155 I N 1.143 121.727 120.570 0.024 0.000 2.179 155 I HA -0.168 4.002 4.170 -0.001 0.000 0.242 155 I C 2.811 178.961 176.117 0.055 0.000 1.088 155 I CA 1.358 62.687 61.300 0.049 0.000 1.357 155 I CB -0.442 37.548 38.000 -0.016 0.000 1.051 155 I HN 0.305 nan 8.210 nan 0.000 0.409 156 R N 1.265 121.750 120.500 -0.025 0.000 2.083 156 R HA -0.215 4.125 4.340 -0.001 0.000 0.237 156 R C 2.103 178.300 176.300 -0.173 0.000 1.137 156 R CA 2.128 58.102 56.100 -0.211 0.000 0.951 156 R CB -0.260 29.887 30.300 -0.256 0.000 0.851 156 R HN 0.350 nan 8.270 nan 0.000 0.434 157 N N 0.615 119.296 118.700 -0.032 0.000 2.084 157 N HA -0.151 4.589 4.740 -0.001 0.000 0.190 157 N C 1.638 177.236 175.510 0.146 0.000 1.030 157 N CA 1.684 54.759 53.050 0.041 0.000 0.849 157 N CB -0.539 37.974 38.487 0.044 0.000 1.012 157 N HN 0.347 nan 8.380 nan 0.000 0.423 158 A N -0.067 122.893 122.820 0.233 0.000 1.902 158 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 158 A C 2.177 179.974 177.584 0.355 0.000 1.181 158 A CA 1.223 53.495 52.037 0.392 0.000 0.623 158 A CB -0.953 18.330 19.000 0.473 0.000 0.818 158 A HN 0.409 nan 8.150 nan 0.000 0.443 159 Y N -1.505 118.900 120.300 0.174 0.000 2.263 159 Y HA -0.116 4.434 4.550 -0.001 0.000 0.292 159 Y C 1.865 177.958 175.900 0.322 0.000 1.130 159 Y CA 1.320 59.539 58.100 0.198 0.000 1.179 159 Y CB -0.165 38.397 38.460 0.171 0.000 0.998 159 Y HN 0.378 nan 8.280 nan 0.000 0.532 160 Y N -0.093 120.240 120.300 0.055 0.000 2.523 160 Y HA 0.243 4.792 4.550 -0.001 0.000 0.279 160 Y C 2.041 177.924 175.900 -0.030 0.000 1.139 160 Y CA 0.062 58.143 58.100 -0.032 0.000 1.296 160 Y CB -0.612 37.864 38.460 0.026 0.000 1.045 160 Y HN 0.173 nan 8.280 nan 0.000 0.538 161 G N 1.152 110.056 108.800 0.175 0.000 2.273 161 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.280 161 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.280 161 G C 0.162 175.104 174.900 0.070 0.000 1.047 161 G CA 0.642 45.809 45.100 0.112 0.000 0.869 161 G HN 0.586 nan 8.290 nan 0.000 0.502 162 S N -2.292 113.457 115.700 0.082 0.000 2.672 162 S HA 0.741 5.210 4.470 -0.001 0.000 0.271 162 S C 0.371 174.983 174.600 0.019 0.000 1.171 162 S CA -0.449 57.777 58.200 0.043 0.000 0.817 162 S CB 1.320 64.561 63.200 0.069 0.000 1.150 162 S HN 0.505 nan 8.310 nan 0.000 0.478 163 L N 0.407 121.625 121.223 -0.008 0.000 2.781 163 L HA 0.319 4.659 4.340 -0.001 0.000 0.245 163 L C 0.834 177.677 176.870 -0.046 0.000 1.118 163 L CA 0.233 55.052 54.840 -0.035 0.000 0.918 163 L CB -0.046 41.984 42.059 -0.049 0.000 1.246 163 L HN 0.841 nan 8.230 nan 0.000 0.526 164 D N -0.389 119.999 120.400 -0.020 0.000 2.349 164 D HA 0.094 4.734 4.640 -0.001 0.000 0.214 164 D C 1.458 177.748 176.300 -0.015 0.000 1.063 164 D CA 0.644 54.627 54.000 -0.028 0.000 0.847 164 D CB 0.440 41.231 40.800 -0.016 0.000 0.933 164 D HN 0.159 nan 8.370 nan 0.000 0.513 165 G N 0.185 109.003 108.800 0.029 0.000 2.159 165 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.256 165 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.256 165 G C -0.200 174.855 174.900 0.258 0.000 0.977 165 G CA -0.173 44.995 45.100 0.114 0.000 0.652 165 G HN 0.387 nan 8.290 nan 0.000 0.531 166 N N 0.307 119.102 118.700 0.158 0.000 2.438 166 N HA 0.493 5.233 4.740 -0.001 0.000 0.282 166 N C 0.469 175.973 175.510 -0.010 0.000 1.037 166 N CA -0.427 52.653 53.050 0.050 0.000 0.942 166 N CB 1.133 39.624 38.487 0.008 0.000 1.136 166 N HN 0.267 nan 8.380 nan 0.000 0.481 167 I N 1.806 122.229 120.570 -0.246 0.000 2.581 167 I HA -0.053 4.116 4.170 -0.001 0.000 0.285 167 I C 1.305 177.322 176.117 -0.167 0.000 1.129 167 I CA 0.148 61.219 61.300 -0.382 0.000 1.397 167 I CB -0.016 37.656 38.000 -0.546 0.000 1.399 167 I HN 0.319 nan 8.210 nan 0.000 0.537 168 N N 4.682 123.325 118.700 -0.095 0.000 2.503 168 N HA 0.144 4.884 4.740 -0.001 0.000 0.267 168 N C 0.919 176.386 175.510 -0.073 0.000 1.214 168 N CA 0.099 53.115 53.050 -0.056 0.000 0.959 168 N CB 1.504 39.982 38.487 -0.015 0.000 1.142 168 N HN 0.731 nan 8.380 nan 0.000 0.455 169 A N 2.887 125.675 122.820 -0.052 0.000 2.019 169 A HA -0.091 4.229 4.320 -0.001 0.000 0.219 169 A C 0.679 178.237 177.584 -0.042 0.000 1.164 169 A CA 1.089 53.096 52.037 -0.049 0.000 0.644 169 A CB -0.103 18.877 19.000 -0.034 0.000 0.805 169 A HN 0.719 nan 8.150 nan 0.000 0.449 170 N N 0.872 119.555 118.700 -0.029 0.000 3.228 170 N HA 0.203 4.943 4.740 -0.001 0.000 0.289 170 N C -0.734 174.766 175.510 -0.017 0.000 1.419 170 N CA 0.472 53.513 53.050 -0.017 0.000 1.088 170 N CB 0.739 39.228 38.487 0.003 0.000 1.357 170 N HN 0.506 nan 8.380 nan 0.000 0.504 171 S N -0.942 114.726 115.700 -0.053 0.000 2.632 171 S HA 0.404 4.873 4.470 -0.001 0.000 0.289 171 S C 0.867 175.387 174.600 -0.132 0.000 1.115 171 S CA -0.709 57.446 58.200 -0.076 0.000 0.889 171 S CB 1.754 64.888 63.200 -0.110 0.000 1.116 171 S HN 0.054 nan 8.310 nan 0.000 0.486 172 L N 1.968 123.088 121.223 -0.171 0.000 2.046 172 L HA 0.023 4.363 4.340 -0.001 0.000 0.208 172 L C 2.769 179.396 176.870 -0.405 0.000 1.077 172 L CA 2.293 57.013 54.840 -0.199 0.000 0.747 172 L CB -0.972 41.031 42.059 -0.094 0.000 0.896 172 L HN 0.977 nan 8.230 nan 0.000 0.432 173 S N -1.655 113.545 115.700 -0.833 0.000 2.365 173 S HA -0.239 4.230 4.470 -0.001 0.000 0.225 173 S C 1.959 176.373 174.600 -0.311 0.000 1.039 173 S CA 2.133 59.842 58.200 -0.819 0.000 1.033 173 S CB -0.378 62.375 63.200 -0.745 0.000 0.887 173 S HN 0.616 nan 8.310 nan 0.000 0.447 174 T N 1.426 115.835 114.554 -0.241 0.000 2.788 174 T HA -0.031 4.319 4.350 -0.001 0.000 0.268 174 T C 1.826 176.474 174.700 -0.086 0.000 1.044 174 T CA 1.344 63.361 62.100 -0.139 0.000 1.139 174 T CB -0.399 68.399 68.868 -0.117 0.000 0.867 174 T HN 0.266 nan 8.240 nan 0.000 0.454 175 V N 1.855 121.721 119.914 -0.079 0.000 2.295 175 V HA -0.125 3.995 4.120 -0.001 0.000 0.246 175 V C 2.466 178.566 176.094 0.010 0.000 1.049 175 V CA 1.212 63.497 62.300 -0.024 0.000 1.024 175 V CB -0.511 31.304 31.823 -0.013 0.000 0.648 175 V HN 0.435 nan 8.190 nan 0.000 0.447 176 I N 0.675 121.247 120.570 0.004 0.000 2.252 176 I HA -0.178 3.991 4.170 -0.001 0.000 0.245 176 I C 2.745 178.853 176.117 -0.016 0.000 1.102 176 I CA 1.813 63.127 61.300 0.024 0.000 1.385 176 I CB -1.754 36.288 38.000 0.070 0.000 1.064 176 I HN 0.304 nan 8.210 nan 0.000 0.414 177 A N 1.202 124.005 122.820 -0.028 0.000 1.940 177 A HA -0.142 4.177 4.320 -0.001 0.000 0.219 177 A C 2.471 180.042 177.584 -0.021 0.000 1.176 177 A CA 2.014 54.032 52.037 -0.033 0.000 0.631 177 A CB -1.327 17.643 19.000 -0.051 0.000 0.814 177 A HN 0.449 nan 8.150 nan 0.000 0.446 178 G N -1.527 107.266 108.800 -0.011 0.000 2.484 178 G HA2 0.179 4.139 3.960 -0.001 0.000 0.218 178 G HA3 0.179 4.139 3.960 -0.001 0.000 0.218 178 G C 1.425 176.342 174.900 0.027 0.000 1.130 178 G CA 1.233 46.335 45.100 0.003 0.000 0.784 178 G HN 0.781 nan 8.290 nan 0.000 0.543 179 A N -0.294 122.558 122.820 0.054 0.000 1.963 179 A HA 0.292 4.612 4.320 -0.001 0.000 0.207 179 A C 1.020 178.664 177.584 0.099 0.000 1.243 179 A CA 0.639 52.750 52.037 0.123 0.000 0.728 179 A CB 0.260 19.416 19.000 0.261 0.000 0.895 179 A HN 0.270 nan 8.150 nan 0.000 0.467 180 N N -0.443 118.239 118.700 -0.029 0.000 2.751 180 N HA 0.074 4.813 4.740 -0.001 0.000 0.238 180 N C 0.537 175.972 175.510 -0.125 0.000 1.351 180 N CA 0.629 53.601 53.050 -0.130 0.000 0.751 180 N CB 0.900 39.123 38.487 -0.440 0.000 1.342 180 N HN 0.150 nan 8.380 nan 0.000 0.540 181 S N 0.390 116.055 115.700 -0.059 0.000 2.400 181 S HA -0.167 4.303 4.470 -0.001 0.000 0.232 181 S C 1.842 176.414 174.600 -0.045 0.000 1.025 181 S CA 1.620 59.794 58.200 -0.043 0.000 0.993 181 S CB -0.155 63.029 63.200 -0.026 0.000 0.808 181 S HN 0.383 nan 8.310 nan 0.000 0.478 182 S N 1.229 116.896 115.700 -0.055 0.000 2.368 182 S HA -0.041 4.429 4.470 -0.001 0.000 0.225 182 S C 1.792 176.353 174.600 -0.065 0.000 1.030 182 S CA 1.162 59.333 58.200 -0.049 0.000 0.999 182 S CB -0.648 62.526 63.200 -0.044 0.000 0.844 182 S HN 0.510 nan 8.310 nan 0.000 0.459 183 L N 2.027 123.179 121.223 -0.118 0.000 2.056 183 L HA 0.014 4.354 4.340 -0.001 0.000 0.207 183 L C 1.994 178.821 176.870 -0.072 0.000 1.078 183 L CA 2.617 57.374 54.840 -0.138 0.000 0.749 183 L CB -1.158 40.725 42.059 -0.293 0.000 0.901 183 L HN 0.363 nan 8.230 nan 0.000 0.433 184 D N -1.448 118.930 120.400 -0.036 0.000 2.117 184 D HA -0.202 4.438 4.640 -0.001 0.000 0.197 184 D C 1.881 178.232 176.300 0.084 0.000 0.987 184 D CA 1.848 55.901 54.000 0.088 0.000 0.829 184 D CB -0.058 40.786 40.800 0.073 0.000 0.961 184 D HN 0.387 nan 8.370 nan 0.000 0.460 185 T N -0.165 114.406 114.554 0.028 0.000 2.746 185 T HA -0.129 4.220 4.350 -0.001 0.000 0.267 185 T C 1.869 176.578 174.700 0.016 0.000 1.039 185 T CA 1.311 63.427 62.100 0.027 0.000 1.142 185 T CB -0.179 68.692 68.868 0.005 0.000 0.866 185 T HN 0.206 nan 8.240 nan 0.000 0.444 186 K N 0.426 120.819 120.400 -0.012 0.000 2.057 186 K HA 0.006 4.325 4.320 -0.001 0.000 0.207 186 K C 2.194 178.766 176.600 -0.047 0.000 1.049 186 K CA 1.148 57.417 56.287 -0.029 0.000 0.931 186 K CB -0.302 32.172 32.500 -0.043 0.000 0.714 186 K HN 0.342 nan 8.250 nan 0.000 0.440 187 I N 1.268 121.795 120.570 -0.071 0.000 2.202 187 I HA -0.291 3.879 4.170 -0.001 0.000 0.242 187 I C 2.140 178.186 176.117 -0.118 0.000 1.091 187 I CA 1.351 62.546 61.300 -0.174 0.000 1.368 187 I CB -0.196 37.579 38.000 -0.375 0.000 1.058 187 I HN 0.099 nan 8.210 nan 0.000 0.410 188 K N 0.619 121.044 120.400 0.041 0.000 2.063 188 K HA -0.166 4.153 4.320 -0.001 0.000 0.208 188 K C 1.906 178.557 176.600 0.085 0.000 1.048 188 K CA 1.494 57.882 56.287 0.168 0.000 0.928 188 K CB -0.333 32.329 32.500 0.271 0.000 0.713 188 K HN 0.284 nan 8.250 nan 0.000 0.442 189 N N 1.027 119.752 118.700 0.042 0.000 2.120 189 N HA -0.129 4.611 4.740 -0.001 0.000 0.188 189 N C 1.703 177.207 175.510 -0.011 0.000 1.024 189 N CA 1.376 54.436 53.050 0.018 0.000 0.852 189 N CB -0.363 38.128 38.487 0.006 0.000 1.003 189 N HN 0.198 nan 8.380 nan 0.000 0.424 190 A N 0.862 123.660 122.820 -0.037 0.000 1.930 190 A HA -0.024 4.296 4.320 -0.001 0.000 0.217 190 A C 2.303 179.846 177.584 -0.068 0.000 1.175 190 A CA 0.758 52.760 52.037 -0.059 0.000 0.627 190 A CB -0.555 18.398 19.000 -0.079 0.000 0.815 190 A HN 0.204 nan 8.150 nan 0.000 0.443 191 I N -0.922 119.608 120.570 -0.067 0.000 2.163 191 I HA -0.270 3.899 4.170 -0.001 0.000 0.240 191 I C 2.757 178.846 176.117 -0.046 0.000 1.081 191 I CA 1.776 63.034 61.300 -0.070 0.000 1.353 191 I CB -0.298 37.660 38.000 -0.071 0.000 1.054 191 I HN 0.374 nan 8.210 nan 0.000 0.407 192 Q N 1.603 121.402 119.800 -0.002 0.000 2.084 192 Q HA -0.255 4.084 4.340 -0.001 0.000 0.202 192 Q C 2.106 178.095 176.000 -0.018 0.000 0.978 192 Q CA 1.858 57.673 55.803 0.020 0.000 0.844 192 Q CB -0.289 28.480 28.738 0.051 0.000 0.898 192 Q HN 0.300 nan 8.270 nan 0.000 0.426 193 K N -0.906 119.475 120.400 -0.032 0.000 2.057 193 K HA -0.136 4.184 4.320 -0.001 0.000 0.207 193 K C 1.850 178.406 176.600 -0.073 0.000 1.049 193 K CA 1.268 57.527 56.287 -0.047 0.000 0.931 193 K CB -0.283 32.189 32.500 -0.045 0.000 0.714 193 K HN 0.267 nan 8.250 nan 0.000 0.440 194 A N 1.024 123.790 122.820 -0.091 0.000 1.873 194 A HA -0.060 4.260 4.320 -0.001 0.000 0.215 194 A C 2.329 179.821 177.584 -0.154 0.000 1.186 194 A CA 1.750 53.715 52.037 -0.120 0.000 0.616 194 A CB -0.775 18.150 19.000 -0.125 0.000 0.823 194 A HN 0.468 nan 8.150 nan 0.000 0.442 195 A N -0.332 122.381 122.820 -0.178 0.000 1.902 195 A HA -0.180 4.140 4.320 -0.001 0.000 0.217 195 A C 2.167 179.646 177.584 -0.176 0.000 1.181 195 A CA 1.994 53.868 52.037 -0.271 0.000 0.623 195 A CB -0.468 18.315 19.000 -0.362 0.000 0.818 195 A HN 0.516 nan 8.150 nan 0.000 0.443 196 K N -0.459 119.883 120.400 -0.096 0.000 2.057 196 K HA -0.072 4.248 4.320 -0.001 0.000 0.207 196 K C 2.187 178.737 176.600 -0.083 0.000 1.049 196 K CA 1.100 57.349 56.287 -0.064 0.000 0.931 196 K CB -0.294 32.187 32.500 -0.033 0.000 0.714 196 K HN 0.386 nan 8.250 nan 0.000 0.440 197 A N 1.306 124.068 122.820 -0.097 0.000 1.902 197 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 197 A C 2.034 179.542 177.584 -0.128 0.000 1.181 197 A CA 1.357 53.331 52.037 -0.104 0.000 0.623 197 A CB -0.502 18.433 19.000 -0.108 0.000 0.818 197 A HN 0.311 nan 8.150 nan 0.000 0.443 198 I N -0.759 119.721 120.570 -0.151 0.000 2.202 198 I HA -0.247 3.923 4.170 -0.001 0.000 0.242 198 I C 2.592 178.616 176.117 -0.156 0.000 1.091 198 I CA 1.095 62.291 61.300 -0.174 0.000 1.368 198 I CB -0.396 37.495 38.000 -0.181 0.000 1.058 198 I HN 0.295 nan 8.210 nan 0.000 0.410 199 Q N 0.472 120.192 119.800 -0.133 0.000 2.226 199 Q HA -0.202 4.137 4.340 -0.001 0.000 0.204 199 Q C 1.510 177.458 176.000 -0.087 0.000 0.975 199 Q CA 1.305 57.048 55.803 -0.100 0.000 0.866 199 Q CB -0.361 28.336 28.738 -0.068 0.000 0.915 199 Q HN 0.512 nan 8.270 nan 0.000 0.440 200 D N 0.092 120.438 120.400 -0.089 0.000 2.317 200 D HA 0.030 4.670 4.640 -0.001 0.000 0.211 200 D C 0.469 176.709 176.300 -0.100 0.000 0.966 200 D CA 0.155 54.105 54.000 -0.083 0.000 0.876 200 D CB 0.139 40.896 40.800 -0.072 0.000 0.927 200 D HN 0.247 nan 8.370 nan 0.000 0.519 201 I N 2.463 122.968 120.570 -0.109 0.000 2.683 201 I HA 0.000 4.170 4.170 -0.001 0.000 0.286 201 I C -2.028 173.996 176.117 -0.155 0.000 1.175 201 I CA -1.500 59.739 61.300 -0.101 0.000 1.429 201 I CB 0.369 38.327 38.000 -0.070 0.000 1.371 201 I HN -0.282 nan 8.210 nan 0.000 0.569 202 P HA -0.030 nan 4.420 nan 0.000 0.265 202 P C -0.801 176.260 177.300 -0.398 0.000 1.193 202 P CA -0.249 62.557 63.100 -0.490 0.000 0.765 202 P CB 0.434 31.532 31.700 -1.004 0.000 0.823 203 Q N 5.487 125.160 119.800 -0.211 0.000 2.296 203 Q HA 0.275 4.615 4.340 -0.001 0.000 0.262 203 Q C -2.234 173.698 176.000 -0.114 0.000 0.981 203 Q CA -1.571 54.174 55.803 -0.098 0.000 0.905 203 Q CB -0.007 28.725 28.738 -0.010 0.000 1.186 203 Q HN 0.299 nan 8.270 nan 0.000 0.399 204 P HA 0.082 nan 4.420 nan 0.000 0.287 204 P C -0.262 176.994 177.300 -0.073 0.000 1.270 204 P CA -0.560 62.355 63.100 -0.309 0.000 0.844 204 P CB 0.669 31.780 31.700 -0.981 0.000 1.068 205 F N 2.963 122.826 119.950 -0.145 0.000 2.161 205 F HA -0.151 4.375 4.527 -0.001 0.000 0.300 205 F C 2.259 178.008 175.800 -0.084 0.000 1.089 205 F CA 1.512 59.467 58.000 -0.075 0.000 1.282 205 F CB -0.402 38.552 39.000 -0.077 0.000 1.010 205 F HN 0.270 nan 8.300 nan 0.000 0.485 206 R N 0.373 120.620 120.500 -0.421 0.000 2.139 206 R HA -0.196 4.144 4.340 -0.001 0.000 0.243 206 R C 1.071 177.090 176.300 -0.467 0.000 1.145 206 R CA 1.692 57.492 56.100 -0.500 0.000 0.976 206 R CB -0.454 29.699 30.300 -0.245 0.000 0.866 206 R HN 0.324 nan 8.270 nan 0.000 0.449 207 N N -0.468 117.964 118.700 -0.447 0.000 2.280 207 N HA -0.005 4.735 4.740 -0.001 0.000 0.192 207 N C -0.435 174.615 175.510 -0.767 0.000 1.109 207 N CA 0.529 53.258 53.050 -0.534 0.000 0.855 207 N CB 0.480 38.625 38.487 -0.569 0.000 0.974 207 N HN 0.333 nan 8.380 nan 0.000 0.482 208 H N -1.062 117.844 119.070 -0.273 0.000 2.767 208 H HA 0.356 4.911 4.556 -0.001 0.000 0.235 208 H C 1.264 176.494 175.328 -0.165 0.000 1.256 208 H CA -0.252 55.688 56.048 -0.179 0.000 0.957 208 H CB 0.349 30.064 29.762 -0.078 0.000 2.117 208 H HN -0.013 nan 8.280 nan 0.000 0.602 209 I N 1.783 122.143 120.570 -0.351 0.000 2.127 209 I HA -0.148 4.021 4.170 -0.001 0.000 0.241 209 I C -0.447 175.606 176.117 -0.106 0.000 1.075 209 I CA 1.196 62.302 61.300 -0.323 0.000 1.334 209 I CB -0.674 36.984 38.000 -0.570 0.000 1.040 209 I HN 0.249 nan 8.210 nan 0.000 0.405 210 P HA 0.018 nan 4.420 nan 0.000 0.249 210 P C 0.388 177.750 177.300 0.105 0.000 1.229 210 P CA 0.348 63.374 63.100 -0.122 0.000 0.788 210 P CB -0.343 31.162 31.700 -0.324 0.000 1.072 211 S N 0.216 115.961 115.700 0.075 0.000 2.560 211 S HA 0.024 4.494 4.470 -0.001 0.000 0.276 211 S C 1.320 175.968 174.600 0.080 0.000 1.350 211 S CA -0.143 58.106 58.200 0.081 0.000 1.024 211 S CB 0.216 63.474 63.200 0.096 0.000 0.864 211 S HN -0.057 nan 8.310 nan 0.000 0.536 212 N N 1.759 120.485 118.700 0.043 0.000 2.223 212 N HA -0.084 4.656 4.740 -0.001 0.000 0.185 212 N C 1.514 177.011 175.510 -0.022 0.000 1.016 212 N CA 1.492 54.550 53.050 0.013 0.000 0.863 212 N CB -0.597 37.894 38.487 0.006 0.000 0.983 212 N HN 0.762 nan 8.380 nan 0.000 0.429 213 E N -0.293 119.895 120.200 -0.020 0.000 2.110 213 E HA -0.066 4.284 4.350 -0.001 0.000 0.193 213 E C 1.870 178.428 176.600 -0.071 0.000 0.988 213 E CA 1.212 57.583 56.400 -0.049 0.000 0.804 213 E CB -0.354 29.314 29.700 -0.053 0.000 0.745 213 E HN 0.276 nan 8.360 nan 0.000 0.458 214 T N 0.232 114.766 114.554 -0.034 0.000 2.684 214 T HA -0.149 4.201 4.350 -0.001 0.000 0.267 214 T C 2.004 176.573 174.700 -0.218 0.000 1.036 214 T CA 1.389 63.443 62.100 -0.076 0.000 1.148 214 T CB -0.353 68.589 68.868 0.123 0.000 0.863 214 T HN -0.019 nan 8.240 nan 0.000 0.436 215 V N 1.866 121.630 119.914 -0.250 0.000 2.287 215 V HA -0.205 3.915 4.120 -0.001 0.000 0.248 215 V C 2.904 178.880 176.094 -0.195 0.000 1.053 215 V CA 1.767 63.883 62.300 -0.308 0.000 1.027 215 V CB -1.287 30.409 31.823 -0.211 0.000 0.646 215 V HN 0.544 nan 8.190 nan 0.000 0.447 216 A N -0.087 122.652 122.820 -0.135 0.000 1.933 216 A HA 0.123 4.443 4.320 -0.001 0.000 0.218 216 A C 1.689 179.198 177.584 -0.125 0.000 1.175 216 A CA 1.311 53.282 52.037 -0.109 0.000 0.628 216 A CB -0.594 18.356 19.000 -0.084 0.000 0.814 216 A HN 0.627 nan 8.150 nan 0.000 0.444 220 A N 0.699 123.461 122.820 -0.097 0.000 1.930 220 A HA -0.110 4.210 4.320 -0.001 0.000 0.217 220 A C 2.271 179.798 177.584 -0.095 0.000 1.175 220 A CA 1.797 53.780 52.037 -0.090 0.000 0.627 220 A CB -0.880 18.063 19.000 -0.094 0.000 0.815 220 A HN 0.420 nan 8.150 nan 0.000 0.443 221 C N -1.085 118.150 119.300 -0.108 0.000 2.446 221 C HA 0.096 4.556 4.460 -0.001 0.000 0.277 221 C C 3.301 178.238 174.990 -0.087 0.000 1.275 221 C CA 0.730 59.684 59.018 -0.106 0.000 1.727 221 C CB -1.251 26.415 27.740 -0.123 0.000 2.010 221 C HN 0.702 nan 8.230 nan 0.000 0.486 222 A N 0.572 123.344 122.820 -0.080 0.000 1.930 222 A HA -0.177 4.143 4.320 -0.001 0.000 0.217 222 A C 1.968 179.518 177.584 -0.056 0.000 1.175 222 A CA 1.574 53.574 52.037 -0.063 0.000 0.627 222 A CB -0.510 18.455 19.000 -0.058 0.000 0.815 222 A HN 0.701 nan 8.150 nan 0.000 0.443 223 E N -0.715 119.449 120.200 -0.060 0.000 2.110 223 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 223 E C 1.907 178.471 176.600 -0.061 0.000 0.988 223 E CA 1.139 57.506 56.400 -0.055 0.000 0.804 223 E CB -0.226 29.441 29.700 -0.055 0.000 0.745 223 E HN 0.495 nan 8.360 nan 0.000 0.458 224 L N 1.623 122.803 121.223 -0.072 0.000 2.017 224 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 224 L C 2.227 179.054 176.870 -0.072 0.000 1.073 224 L CA 1.873 56.664 54.840 -0.081 0.000 0.745 224 L CB -0.411 41.593 42.059 -0.091 0.000 0.894 224 L HN 0.082 nan 8.230 nan 0.000 0.432 225 E N -1.131 119.032 120.200 -0.062 0.000 2.058 225 E HA -0.269 4.080 4.350 -0.001 0.000 0.194 225 E C 2.223 178.800 176.600 -0.038 0.000 0.997 225 E CA 1.559 57.931 56.400 -0.047 0.000 0.801 225 E CB -0.158 29.518 29.700 -0.040 0.000 0.746 225 E HN 0.575 nan 8.360 nan 0.000 0.450 226 S N 0.293 115.970 115.700 -0.038 0.000 2.368 226 S HA -0.130 4.339 4.470 -0.001 0.000 0.225 226 S C 2.083 176.664 174.600 -0.031 0.000 1.030 226 S CA 1.015 59.197 58.200 -0.029 0.000 0.999 226 S CB -0.285 62.898 63.200 -0.028 0.000 0.844 226 S HN 0.432 nan 8.310 nan 0.000 0.459 227 I N 0.619 121.161 120.570 -0.046 0.000 2.493 227 I HA -0.101 4.069 4.170 -0.001 0.000 0.254 227 I C 1.750 177.832 176.117 -0.058 0.000 1.160 227 I CA 0.867 62.135 61.300 -0.054 0.000 1.445 227 I CB 0.021 37.977 38.000 -0.074 0.000 1.086 227 I HN 0.354 nan 8.210 nan 0.000 0.433 228 L N 0.241 121.429 121.223 -0.060 0.000 2.084 228 L HA -0.152 4.188 4.340 -0.001 0.000 0.202 228 L C 2.509 179.370 176.870 -0.015 0.000 1.074 228 L CA 1.204 56.015 54.840 -0.049 0.000 0.757 228 L CB -0.631 41.396 42.059 -0.053 0.000 0.918 228 L HN 0.089 nan 8.230 nan 0.000 0.444 229 K N 0.290 120.683 120.400 -0.012 0.000 2.097 229 K HA -0.135 4.185 4.320 -0.001 0.000 0.205 229 K C 1.478 178.083 176.600 0.007 0.000 1.050 229 K CA 1.791 58.079 56.287 0.001 0.000 0.938 229 K CB 0.095 32.595 32.500 -0.001 0.000 0.718 229 K HN 0.368 nan 8.250 nan 0.000 0.442 230 N N -0.295 118.408 118.700 0.004 0.000 2.433 230 N HA -0.011 4.729 4.740 -0.001 0.000 0.213 230 N C 1.198 176.723 175.510 0.025 0.000 1.032 230 N CA 0.850 53.907 53.050 0.012 0.000 1.047 230 N CB -0.062 38.429 38.487 0.005 0.000 1.293 230 N HN 0.052 nan 8.380 nan 0.000 0.524 231 D N 0.811 121.222 120.400 0.018 0.000 2.092 231 D HA -0.142 4.498 4.640 -0.001 0.000 0.193 231 D C 1.807 178.150 176.300 0.072 0.000 0.994 231 D CA 0.779 54.801 54.000 0.036 0.000 0.828 231 D CB -0.250 40.551 40.800 0.002 0.000 0.963 231 D HN 0.058 nan 8.370 nan 0.000 0.450 232 L N 0.811 122.060 121.223 0.042 0.000 2.005 232 L HA -0.093 4.246 4.340 -0.001 0.000 0.207 232 L C 1.935 178.870 176.870 0.110 0.000 1.072 232 L CA 1.828 56.714 54.840 0.077 0.000 0.744 232 L CB -0.509 41.567 42.059 0.029 0.000 0.895 232 L HN -0.122 nan 8.230 nan 0.000 0.433 233 K N -1.041 119.398 120.400 0.064 0.000 2.032 233 K HA -0.150 4.169 4.320 -0.001 0.000 0.209 233 K C 2.008 178.639 176.600 0.053 0.000 1.048 233 K CA 1.764 58.081 56.287 0.050 0.000 0.927 233 K CB -0.115 32.402 32.500 0.028 0.000 0.712 233 K HN 0.399 nan 8.250 nan 0.000 0.441 234 S N -0.188 115.547 115.700 0.058 0.000 2.402 234 S HA -0.145 4.325 4.470 -0.001 0.000 0.229 234 S C 1.577 176.206 174.600 0.049 0.000 1.021 234 S CA 0.986 59.211 58.200 0.043 0.000 0.974 234 S CB -0.407 62.818 63.200 0.042 0.000 0.800 234 S HN 0.392 nan 8.310 nan 0.000 0.484 235 Y N 2.118 122.420 120.300 0.003 0.000 2.145 235 Y HA -0.070 4.479 4.550 -0.000 0.000 0.286 235 Y C 1.904 177.807 175.900 0.005 0.000 1.145 235 Y CA 1.189 59.293 58.100 0.006 0.000 1.148 235 Y CB -0.355 38.114 38.460 0.014 0.000 0.981 235 Y HN 0.160 nan 8.280 nan 0.000 0.507 236 I N -0.191 120.440 120.570 0.102 0.000 2.286 236 I HA -0.306 3.864 4.170 -0.001 0.000 0.248 236 I C 2.542 178.623 176.117 -0.060 0.000 1.115 236 I CA 1.214 62.529 61.300 0.025 0.000 1.392 236 I CB -0.646 37.393 38.000 0.066 0.000 1.065 236 I HN 0.296 nan 8.210 nan 0.000 0.418 237 A N 0.266 123.059 122.820 -0.046 0.000 2.067 237 A HA -0.143 4.177 4.320 -0.001 0.000 0.219 237 A C 1.281 178.815 177.584 -0.084 0.000 1.158 237 A CA 0.728 52.733 52.037 -0.054 0.000 0.661 237 A CB -0.629 18.353 19.000 -0.030 0.000 0.801 237 A HN 0.422 nan 8.150 nan 0.000 0.452 238 N N 1.239 119.858 118.700 -0.135 0.000 2.416 238 N HA 0.007 4.746 4.740 -0.001 0.000 0.265 238 N C 0.345 175.762 175.510 -0.155 0.000 1.195 238 N CA -0.062 52.897 53.050 -0.152 0.000 0.943 238 N CB 0.057 38.416 38.487 -0.213 0.000 1.115 238 N HN 0.209 nan 8.380 nan 0.000 0.481 239 N N 1.497 120.135 118.700 -0.103 0.000 2.192 239 N HA -0.199 4.541 4.740 -0.001 0.000 0.188 239 N C 1.476 176.930 175.510 -0.093 0.000 1.013 239 N CA 1.439 54.438 53.050 -0.086 0.000 0.863 239 N CB -0.297 38.154 38.487 -0.059 0.000 0.990 239 N HN 0.719 nan 8.380 nan 0.000 0.430 240 S N 0.444 116.084 115.700 -0.101 0.000 2.442 240 S HA -0.020 4.449 4.470 -0.001 0.000 0.236 240 S C 1.347 175.880 174.600 -0.112 0.000 1.007 240 S CA 0.664 58.811 58.200 -0.089 0.000 0.965 240 S CB -0.162 62.992 63.200 -0.075 0.000 0.773 240 S HN 0.210 nan 8.310 nan 0.000 0.504 241 N N 2.326 120.911 118.700 -0.192 0.000 2.467 241 N HA 0.063 4.803 4.740 -0.001 0.000 0.184 241 N C -0.151 175.298 175.510 -0.102 0.000 1.106 241 N CA 0.652 53.573 53.050 -0.216 0.000 0.892 241 N CB -0.725 37.414 38.487 -0.581 0.000 0.969 241 N HN 0.672 nan 8.380 nan 0.000 0.454 242 N N 0.075 118.724 118.700 -0.084 0.000 2.741 242 N HA -0.181 4.558 4.740 -0.001 0.000 0.250 242 N C 0.158 175.650 175.510 -0.031 0.000 1.115 242 N CA 0.645 53.668 53.050 -0.046 0.000 0.724 242 N CB -1.446 37.025 38.487 -0.027 0.000 1.090 242 N HN 0.485 nan 8.380 nan 0.000 0.558 243 I N -3.816 116.731 120.570 -0.039 0.000 3.947 243 I HA 0.270 4.440 4.170 -0.001 0.000 0.327 243 I C 0.748 176.849 176.117 -0.026 0.000 1.519 243 I CA -0.483 60.810 61.300 -0.012 0.000 1.122 243 I CB 0.249 38.273 38.000 0.039 0.000 1.146 243 I HN 0.055 nan 8.210 nan 0.000 0.442 244 N N 0.791 119.463 118.700 -0.046 0.000 2.204 244 N HA 0.048 4.788 4.740 -0.001 0.000 0.219 244 N C 0.503 175.977 175.510 -0.061 0.000 1.151 244 N CA 0.231 53.248 53.050 -0.055 0.000 0.867 244 N CB -0.387 38.063 38.487 -0.062 0.000 1.043 244 N HN 0.418 nan 8.380 nan 0.000 0.516 245 T N -2.982 111.543 114.554 -0.049 0.000 2.828 245 T HA 0.205 4.554 4.350 -0.001 0.000 0.290 245 T C 0.526 175.195 174.700 -0.051 0.000 1.019 245 T CA -0.367 61.706 62.100 -0.045 0.000 1.031 245 T CB 1.126 69.976 68.868 -0.030 0.000 1.001 245 T HN -0.196 nan 8.240 nan 0.000 0.531 246 D N 0.992 121.366 120.400 -0.042 0.000 2.144 246 D HA -0.028 4.612 4.640 -0.001 0.000 0.199 246 D C 2.329 178.628 176.300 -0.001 0.000 0.984 246 D CA 1.573 55.558 54.000 -0.025 0.000 0.834 246 D CB -0.734 40.082 40.800 0.027 0.000 0.955 246 D HN 0.753 nan 8.370 nan 0.000 0.465 247 A N 0.318 123.136 122.820 -0.003 0.000 1.908 247 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 247 A C 2.473 180.055 177.584 -0.003 0.000 1.181 247 A CA 1.364 53.401 52.037 0.001 0.000 0.627 247 A CB -0.605 18.393 19.000 -0.002 0.000 0.818 247 A HN 0.171 nan 8.150 nan 0.000 0.445 248 V N -0.423 119.483 119.914 -0.012 0.000 2.346 248 V HA -0.113 4.007 4.120 -0.001 0.000 0.244 248 V C 2.395 178.479 176.094 -0.017 0.000 1.037 248 V CA 1.652 63.945 62.300 -0.013 0.000 1.029 248 V CB -0.532 31.283 31.823 -0.013 0.000 0.663 248 V HN 0.538 nan 8.190 nan 0.000 0.454 249 L N -0.126 121.079 121.223 -0.031 0.000 2.375 249 L HA 0.031 4.371 4.340 -0.001 0.000 0.215 249 L C 2.303 179.156 176.870 -0.029 0.000 1.108 249 L CA 0.431 55.243 54.840 -0.046 0.000 0.830 249 L CB -0.607 41.400 42.059 -0.088 0.000 0.959 249 L HN 0.322 nan 8.230 nan 0.000 0.457 250 N N 0.752 119.454 118.700 0.004 0.000 2.061 250 N HA -0.149 4.591 4.740 -0.001 0.000 0.193 250 N C -0.793 174.749 175.510 0.052 0.000 1.030 250 N CA 1.568 54.657 53.050 0.064 0.000 0.856 250 N CB -1.385 37.156 38.487 0.091 0.000 1.023 250 N HN 0.219 nan 8.380 nan 0.000 0.424 251 P HA -0.018 nan 4.420 nan 0.000 0.221 251 P C 1.589 178.913 177.300 0.039 0.000 1.150 251 P CA 0.543 63.663 63.100 0.032 0.000 0.800 251 P CB 0.145 31.855 31.700 0.016 0.000 0.787 252 V N -0.400 119.529 119.914 0.026 0.000 2.307 252 V HA -0.184 3.936 4.120 -0.001 0.000 0.245 252 V C 2.472 178.612 176.094 0.077 0.000 1.045 252 V CA 1.709 64.026 62.300 0.028 0.000 1.024 252 V CB -1.186 30.630 31.823 -0.012 0.000 0.651 252 V HN -0.039 nan 8.190 nan 0.000 0.449 253 V N -0.146 119.807 119.914 0.064 0.000 2.343 253 V HA -0.271 3.849 4.120 -0.001 0.000 0.247 253 V C 2.573 178.808 176.094 0.235 0.000 1.051 253 V CA 2.606 64.988 62.300 0.136 0.000 1.036 253 V CB -1.089 30.758 31.823 0.040 0.000 0.654 253 V HN 0.599 nan 8.190 nan 0.000 0.451 254 T N -0.517 114.129 114.554 0.153 0.000 2.708 254 T HA -0.287 4.063 4.350 -0.001 0.000 0.266 254 T C 1.969 176.748 174.700 0.130 0.000 1.037 254 T CA 2.046 64.229 62.100 0.139 0.000 1.146 254 T CB -0.254 68.666 68.868 0.087 0.000 0.865 254 T HN 0.468 nan 8.240 nan 0.000 0.435 255 Q N 0.079 119.945 119.800 0.110 0.000 2.119 255 Q HA -0.110 4.229 4.340 -0.001 0.000 0.201 255 Q C 1.922 177.982 176.000 0.099 0.000 0.972 255 Q CA 1.490 57.341 55.803 0.081 0.000 0.847 255 Q CB -0.629 28.145 28.738 0.060 0.000 0.903 255 Q HN 0.714 nan 8.270 nan 0.000 0.433 256 Y N -0.493 119.813 120.300 0.010 0.000 2.128 256 Y HA -0.215 4.334 4.550 -0.000 0.000 0.284 256 Y C 1.860 177.703 175.900 -0.095 0.000 1.154 256 Y CA 1.989 60.072 58.100 -0.028 0.000 1.149 256 Y CB -0.359 38.124 38.460 0.037 0.000 0.976 256 Y HN 0.014 nan 8.280 nan 0.000 0.505 257 V N 0.647 120.628 119.914 0.111 0.000 2.270 257 V HA -0.271 3.849 4.120 -0.001 0.000 0.245 257 V C 1.904 177.943 176.094 -0.092 0.000 1.043 257 V CA 2.312 64.610 62.300 -0.002 0.000 1.014 257 V CB -0.612 31.408 31.823 0.329 0.000 0.645 257 V HN 0.415 nan 8.190 nan 0.000 0.447 258 D N 0.049 120.448 120.400 -0.001 0.000 2.194 258 D HA 0.018 4.658 4.640 -0.001 0.000 0.204 258 D C 1.933 178.202 176.300 -0.051 0.000 0.964 258 D CA 1.480 55.478 54.000 -0.004 0.000 0.846 258 D CB 0.019 40.840 40.800 0.036 0.000 0.962 258 D HN 0.470 nan 8.370 nan 0.000 0.490 259 A N -0.167 122.605 122.820 -0.080 0.000 2.085 259 A HA 0.187 4.507 4.320 -0.001 0.000 0.208 259 A C 2.093 179.582 177.584 -0.158 0.000 1.191 259 A CA 0.204 52.190 52.037 -0.085 0.000 0.799 259 A CB 0.365 19.340 19.000 -0.040 0.000 0.877 259 A HN 0.089 nan 8.150 nan 0.000 0.473 260 V N -1.189 118.549 119.914 -0.294 0.000 2.784 260 V HA -0.029 4.091 4.120 -0.001 0.000 0.231 260 V C 2.374 178.066 176.094 -0.670 0.000 1.128 260 V CA 1.188 63.233 62.300 -0.425 0.000 1.178 260 V CB -0.662 30.877 31.823 -0.475 0.000 0.943 260 V HN 0.203 nan 8.190 nan 0.000 0.500 261 V N 0.564 119.810 119.914 -1.112 0.000 2.220 261 V HA -0.230 3.889 4.120 -0.001 0.000 0.246 261 V C 2.455 177.992 176.094 -0.928 0.000 1.049 261 V CA 2.339 63.744 62.300 -1.491 0.000 1.003 261 V CB -0.665 30.058 31.823 -1.833 0.000 0.634 261 V HN 0.374 nan 8.190 nan 0.000 0.444 262 V N 0.462 120.060 119.914 -0.527 0.000 2.287 262 V HA -0.155 3.965 4.120 -0.001 0.000 0.248 262 V C 0.059 176.147 176.094 -0.009 0.000 1.053 262 V CA 2.539 64.768 62.300 -0.119 0.000 1.027 262 V CB -2.030 29.831 31.823 0.063 0.000 0.646 262 V HN 0.520 nan 8.190 nan 0.000 0.447 263 P HA -0.071 nan 4.420 nan 0.000 0.219 263 P C 1.782 179.030 177.300 -0.086 0.000 1.150 263 P CA 1.403 64.465 63.100 -0.063 0.000 0.814 263 P CB -0.170 31.484 31.700 -0.077 0.000 0.787 264 T N -1.328 113.131 114.554 -0.158 0.000 2.708 264 T HA -0.163 4.187 4.350 -0.001 0.000 0.266 264 T C 1.393 176.084 174.700 -0.014 0.000 1.037 264 T CA 1.363 63.392 62.100 -0.118 0.000 1.146 264 T CB -0.967 67.825 68.868 -0.127 0.000 0.865 264 T HN 0.028 nan 8.240 nan 0.000 0.435 265 Y N 1.442 121.749 120.300 0.012 0.000 2.352 265 Y HA 0.075 4.625 4.550 -0.001 0.000 0.292 265 Y C 2.357 178.242 175.900 -0.024 0.000 1.136 265 Y CA 0.074 58.218 58.100 0.073 0.000 1.227 265 Y CB -0.466 38.069 38.460 0.126 0.000 0.991 265 Y HN 0.162 nan 8.280 nan 0.000 0.545 266 K N -0.478 119.898 120.400 -0.040 0.000 2.057 266 K HA -0.149 4.171 4.320 -0.001 0.000 0.206 266 K C 2.602 179.059 176.600 -0.239 0.000 1.050 266 K CA 1.257 57.250 56.287 -0.490 0.000 0.935 266 K CB -0.200 32.049 32.500 -0.418 0.000 0.715 266 K HN 0.144 nan 8.250 nan 0.000 0.439 267 S N 0.598 116.240 115.700 -0.096 0.000 2.382 267 S HA -0.134 4.335 4.470 -0.001 0.000 0.228 267 S C 1.905 176.506 174.600 0.002 0.000 1.027 267 S CA 1.058 59.230 58.200 -0.047 0.000 0.991 267 S CB -0.285 62.896 63.200 -0.030 0.000 0.823 267 S HN 0.353 nan 8.310 nan 0.000 0.469 268 L N 2.204 123.468 121.223 0.068 0.000 2.046 268 L HA 0.013 4.353 4.340 -0.001 0.000 0.208 268 L C 2.355 179.282 176.870 0.095 0.000 1.077 268 L CA 2.122 57.051 54.840 0.148 0.000 0.747 268 L CB -0.841 41.394 42.059 0.292 0.000 0.896 268 L HN 0.262 nan 8.230 nan 0.000 0.432 269 K N -0.446 119.973 120.400 0.032 0.000 2.057 269 K HA -0.216 4.103 4.320 -0.001 0.000 0.207 269 K C 1.942 178.525 176.600 -0.028 0.000 1.049 269 K CA 1.974 58.255 56.287 -0.011 0.000 0.931 269 K CB -0.094 32.355 32.500 -0.086 0.000 0.714 269 K HN 0.531 nan 8.250 nan 0.000 0.440 270 E N 0.161 120.329 120.200 -0.054 0.000 2.072 270 E HA -0.138 4.211 4.350 -0.001 0.000 0.190 270 E C 1.967 178.568 176.600 0.001 0.000 0.982 270 E CA 1.133 57.511 56.400 -0.037 0.000 0.803 270 E CB 0.146 29.812 29.700 -0.056 0.000 0.755 270 E HN 0.238 nan 8.360 nan 0.000 0.453 271 K N 0.413 120.824 120.400 0.018 0.000 2.228 271 K HA -0.019 4.301 4.320 -0.001 0.000 0.202 271 K C 1.703 178.345 176.600 0.070 0.000 1.051 271 K CA 0.594 56.905 56.287 0.040 0.000 0.960 271 K CB 0.127 32.648 32.500 0.036 0.000 0.743 271 K HN -0.045 nan 8.250 nan 0.000 0.458 272 N N 1.142 119.887 118.700 0.075 0.000 2.270 272 N HA -0.111 4.629 4.740 -0.001 0.000 0.181 272 N C 1.010 176.560 175.510 0.067 0.000 1.016 272 N CA 1.070 54.162 53.050 0.071 0.000 0.870 272 N CB -0.085 38.414 38.487 0.020 0.000 0.979 272 N HN 0.111 nan 8.380 nan 0.000 0.431 273 D N 0.347 120.774 120.400 0.045 0.000 2.117 273 D HA -0.043 4.597 4.640 -0.001 0.000 0.197 273 D C 1.723 178.084 176.300 0.102 0.000 0.987 273 D CA 1.112 55.146 54.000 0.057 0.000 0.829 273 D CB -0.280 40.532 40.800 0.020 0.000 0.961 273 D HN 0.237 nan 8.370 nan 0.000 0.460 274 A N 0.474 123.335 122.820 0.069 0.000 1.969 274 A HA -0.094 4.226 4.320 -0.001 0.000 0.218 274 A C 2.100 179.723 177.584 0.065 0.000 1.169 274 A CA 0.779 52.850 52.037 0.057 0.000 0.635 274 A CB -0.560 18.461 19.000 0.036 0.000 0.810 274 A HN 0.242 nan 8.150 nan 0.000 0.445 275 L N -1.473 119.804 121.223 0.091 0.000 2.046 275 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 275 L C 2.259 179.181 176.870 0.087 0.000 1.077 275 L CA 2.357 57.259 54.840 0.104 0.000 0.747 275 L CB -1.022 41.128 42.059 0.151 0.000 0.896 275 L HN 0.516 nan 8.230 nan 0.000 0.432 276 Y N 0.553 120.853 120.300 -0.001 0.000 2.165 276 Y HA -0.280 4.270 4.550 -0.000 0.000 0.286 276 Y C 2.355 178.234 175.900 -0.033 0.000 1.155 276 Y CA 2.139 60.225 58.100 -0.023 0.000 1.164 276 Y CB -0.327 38.113 38.460 -0.033 0.000 0.978 276 Y HN 0.372 nan 8.280 nan 0.000 0.513 277 N N 0.507 119.209 118.700 0.003 0.000 2.120 277 N HA -0.170 4.569 4.740 -0.001 0.000 0.188 277 N C 2.018 177.446 175.510 -0.137 0.000 1.024 277 N CA 1.571 54.577 53.050 -0.074 0.000 0.852 277 N CB -0.921 37.575 38.487 0.014 0.000 1.003 277 N HN 0.512 nan 8.380 nan 0.000 0.424 278 A N 0.707 123.472 122.820 -0.092 0.000 1.933 278 A HA -0.065 4.255 4.320 -0.001 0.000 0.218 278 A C 2.495 179.972 177.584 -0.178 0.000 1.175 278 A CA 1.151 53.124 52.037 -0.107 0.000 0.628 278 A CB -0.702 18.266 19.000 -0.053 0.000 0.814 278 A HN 0.113 nan 8.150 nan 0.000 0.444 279 V N 0.513 120.305 119.914 -0.203 0.000 2.358 279 V HA -0.227 3.892 4.120 -0.001 0.000 0.246 279 V C 2.431 178.325 176.094 -0.333 0.000 1.047 279 V CA 1.668 63.814 62.300 -0.256 0.000 1.035 279 V CB -0.580 31.112 31.823 -0.218 0.000 0.658 279 V HN 0.513 nan 8.190 nan 0.000 0.452 280 I N -0.005 120.324 120.570 -0.402 0.000 2.179 280 I HA -0.175 3.994 4.170 -0.001 0.000 0.242 280 I C 2.488 178.444 176.117 -0.269 0.000 1.088 280 I CA 1.523 62.606 61.300 -0.362 0.000 1.357 280 I CB -1.177 36.592 38.000 -0.386 0.000 1.051 280 I HN 0.174 nan 8.210 nan 0.000 0.409 281 V N 0.899 120.675 119.914 -0.230 0.000 2.407 281 V HA -0.247 3.873 4.120 -0.001 0.000 0.248 281 V C 2.516 178.464 176.094 -0.243 0.000 1.055 281 V CA 1.421 63.606 62.300 -0.192 0.000 1.049 281 V CB -0.723 31.012 31.823 -0.148 0.000 0.662 281 V HN 0.336 nan 8.190 nan 0.000 0.455 282 L N 0.947 121.981 121.223 -0.315 0.000 2.072 282 L HA 0.026 4.365 4.340 -0.001 0.000 0.205 282 L C 2.421 178.965 176.870 -0.542 0.000 1.079 282 L CA 2.287 56.867 54.840 -0.435 0.000 0.752 282 L CB -0.974 40.756 42.059 -0.550 0.000 0.906 282 L HN 0.184 nan 8.230 nan 0.000 0.436 283 A N -0.723 121.769 122.820 -0.546 0.000 1.902 283 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 283 A C 1.972 179.244 177.584 -0.519 0.000 1.181 283 A CA 1.841 53.421 52.037 -0.762 0.000 0.623 283 A CB -0.750 18.019 19.000 -0.384 0.000 0.818 283 A HN 0.537 nan 8.150 nan 0.000 0.443 284 D N -0.018 120.206 120.400 -0.295 0.000 2.123 284 D HA -0.027 4.613 4.640 -0.001 0.000 0.200 284 D C 0.123 176.342 176.300 -0.134 0.000 0.976 284 D CA 0.875 54.775 54.000 -0.166 0.000 0.831 284 D CB -0.129 40.596 40.800 -0.125 0.000 0.974 284 D HN 0.359 nan 8.370 nan 0.000 0.469 285 N N 1.219 119.823 118.700 -0.160 0.000 2.790 285 N HA 0.173 4.913 4.740 -0.001 0.000 0.256 285 N C -2.699 172.736 175.510 -0.124 0.000 1.409 285 N CA -0.801 52.185 53.050 -0.106 0.000 0.799 285 N CB 2.474 40.913 38.487 -0.080 0.000 1.170 285 N HN 0.057 nan 8.380 nan 0.000 0.507 286 P HA 0.112 nan 4.420 nan 0.000 0.271 286 P C -0.229 177.074 177.300 0.005 0.000 1.216 286 P CA 0.231 63.281 63.100 -0.084 0.000 0.771 286 P CB 1.075 32.841 31.700 0.110 0.000 0.864 287 S N 1.263 116.964 115.700 0.002 0.000 2.611 287 S HA 0.270 4.740 4.470 -0.001 0.000 0.268 287 S C 0.657 175.327 174.600 0.116 0.000 1.156 287 S CA -0.766 57.467 58.200 0.055 0.000 0.817 287 S CB 0.481 63.684 63.200 0.006 0.000 1.122 287 S HN 0.189 nan 8.310 nan 0.000 0.466 288 N N 1.499 120.248 118.700 0.081 0.000 2.166 288 N HA -0.021 4.719 4.740 -0.001 0.000 0.186 288 N C 2.188 177.727 175.510 0.048 0.000 1.019 288 N CA 2.102 55.188 53.050 0.060 0.000 0.856 288 N CB -1.151 37.332 38.487 -0.006 0.000 0.993 288 N HN 0.880 nan 8.380 nan 0.000 0.426 289 S N 0.461 116.169 115.700 0.013 0.000 2.383 289 S HA 0.111 4.581 4.470 -0.001 0.000 0.227 289 S C 2.078 176.660 174.600 -0.031 0.000 1.026 289 S CA 1.492 59.686 58.200 -0.010 0.000 0.981 289 S CB -0.397 62.792 63.200 -0.018 0.000 0.818 289 S HN 0.344 nan 8.310 nan 0.000 0.472 290 A N 0.023 122.807 122.820 -0.061 0.000 1.969 290 A HA 0.215 4.535 4.320 -0.001 0.000 0.218 290 A C 1.933 179.398 177.584 -0.198 0.000 1.169 290 A CA 1.196 53.145 52.037 -0.148 0.000 0.635 290 A CB -0.623 18.246 19.000 -0.218 0.000 0.810 290 A HN 0.466 nan 8.150 nan 0.000 0.445 291 F N 0.361 120.202 119.950 -0.181 0.000 2.113 291 F HA -0.106 4.420 4.527 -0.001 0.000 0.297 291 F C 2.556 178.223 175.800 -0.222 0.000 1.103 291 F CA 1.705 59.565 58.000 -0.233 0.000 1.248 291 F CB -0.180 38.651 39.000 -0.282 0.000 0.999 291 F HN 0.218 nan 8.300 nan 0.000 0.475 292 E N -0.312 119.899 120.200 0.019 0.000 2.085 292 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 292 E C 2.199 178.779 176.600 -0.032 0.000 0.994 292 E CA 2.008 58.388 56.400 -0.034 0.000 0.801 292 E CB -0.627 29.060 29.700 -0.021 0.000 0.743 292 E HN 0.346 nan 8.360 nan 0.000 0.453 293 T N 1.040 115.571 114.554 -0.037 0.000 2.746 293 T HA -0.116 4.234 4.350 -0.001 0.000 0.267 293 T C 1.953 176.636 174.700 -0.028 0.000 1.039 293 T CA 1.441 63.522 62.100 -0.033 0.000 1.142 293 T CB -0.194 68.644 68.868 -0.050 0.000 0.866 293 T HN 0.266 nan 8.240 nan 0.000 0.444 294 A N 0.478 123.259 122.820 -0.065 0.000 1.930 294 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 294 A C 2.689 180.292 177.584 0.030 0.000 1.175 294 A CA 1.384 53.394 52.037 -0.045 0.000 0.627 294 A CB -1.267 17.651 19.000 -0.135 0.000 0.815 294 A HN 0.630 nan 8.150 nan 0.000 0.443 295 C N -0.260 119.012 119.300 -0.047 0.000 2.429 295 C HA -0.093 4.367 4.460 -0.001 0.000 0.277 295 C C 2.330 177.437 174.990 0.193 0.000 1.262 295 C CA 1.055 60.044 59.018 -0.048 0.000 1.733 295 C CB -1.095 26.416 27.740 -0.381 0.000 2.010 295 C HN 0.599 nan 8.230 nan 0.000 0.483 296 D N 0.942 121.408 120.400 0.109 0.000 2.144 296 D HA -0.065 4.575 4.640 -0.001 0.000 0.200 296 D C 2.266 178.636 176.300 0.115 0.000 0.978 296 D CA 1.591 55.659 54.000 0.113 0.000 0.833 296 D CB -0.463 40.373 40.800 0.061 0.000 0.961 296 D HN 0.516 nan 8.370 nan 0.000 0.470 297 A N 0.040 122.927 122.820 0.111 0.000 1.969 297 A HA -0.135 4.185 4.320 -0.001 0.000 0.218 297 A C 2.095 179.773 177.584 0.156 0.000 1.169 297 A CA 0.945 53.044 52.037 0.104 0.000 0.635 297 A CB -1.002 18.046 19.000 0.080 0.000 0.810 297 A HN 0.362 nan 8.150 nan 0.000 0.445 298 W N 0.738 122.074 121.300 0.061 0.000 2.379 298 W HA -0.147 4.512 4.660 -0.001 0.000 0.307 298 W C 1.703 178.219 176.519 -0.004 0.000 1.200 298 W CA 1.678 59.081 57.345 0.096 0.000 1.297 298 W CB -0.063 29.499 29.460 0.169 0.000 1.140 298 W HN 0.221 nan 8.180 nan 0.000 0.507 299 I N 0.348 121.010 120.570 0.154 0.000 2.226 299 I HA -0.285 3.885 4.170 -0.001 0.000 0.245 299 I C 2.164 178.175 176.117 -0.177 0.000 1.100 299 I CA 1.958 63.181 61.300 -0.129 0.000 1.374 299 I CB -1.801 36.223 38.000 0.039 0.000 1.057 299 I HN -0.006 nan 8.210 nan 0.000 0.413 300 T N 1.380 115.898 114.554 -0.060 0.000 2.708 300 T HA -0.132 4.218 4.350 -0.001 0.000 0.266 300 T C 2.028 176.678 174.700 -0.083 0.000 1.037 300 T CA 1.693 63.766 62.100 -0.045 0.000 1.146 300 T CB -0.288 68.581 68.868 0.002 0.000 0.865 300 T HN 0.465 nan 8.240 nan 0.000 0.435 301 A N 1.569 124.330 122.820 -0.099 0.000 1.969 301 A HA -0.064 4.256 4.320 -0.001 0.000 0.218 301 A C 2.374 179.804 177.584 -0.256 0.000 1.169 301 A CA 0.957 52.959 52.037 -0.059 0.000 0.635 301 A CB -0.322 18.740 19.000 0.104 0.000 0.810 301 A HN 0.164 nan 8.150 nan 0.000 0.445 302 R N -0.012 120.116 120.500 -0.620 0.000 2.096 302 R HA -0.121 4.219 4.340 -0.001 0.000 0.235 302 R C 2.070 178.186 176.300 -0.308 0.000 1.127 302 R CA 1.260 56.881 56.100 -0.798 0.000 0.968 302 R CB -0.759 28.933 30.300 -1.014 0.000 0.861 302 R HN 0.781 nan 8.270 nan 0.000 0.440 303 E N 0.714 120.805 120.200 -0.181 0.000 2.048 303 E HA -0.176 4.174 4.350 -0.001 0.000 0.202 303 E C -0.884 175.675 176.600 -0.067 0.000 1.021 303 E CA 1.872 58.226 56.400 -0.075 0.000 0.825 303 E CB -0.788 28.887 29.700 -0.040 0.000 0.756 303 E HN 0.193 nan 8.360 nan 0.000 0.454 304 P HA -0.157 nan 4.420 nan 0.000 0.219 304 P C 1.719 179.009 177.300 -0.016 0.000 1.150 304 P CA 1.096 64.185 63.100 -0.018 0.000 0.814 304 P CB -0.750 30.968 31.700 0.030 0.000 0.787 305 W N 2.190 123.430 121.300 -0.099 0.000 2.354 305 W HA -0.143 4.517 4.660 -0.001 0.000 0.315 305 W C 1.567 178.007 176.519 -0.133 0.000 1.206 305 W CA 1.489 58.791 57.345 -0.071 0.000 1.290 305 W CB -0.480 28.921 29.460 -0.098 0.000 1.152 305 W HN 0.001 nan 8.180 nan 0.000 0.489 306 E N 0.360 120.353 120.200 -0.345 0.000 2.110 306 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 306 E C 1.920 178.294 176.600 -0.377 0.000 0.988 306 E CA 1.268 57.453 56.400 -0.358 0.000 0.804 306 E CB -0.282 29.341 29.700 -0.129 0.000 0.745 306 E HN 0.226 nan 8.360 nan 0.000 0.458 307 K N 0.487 120.711 120.400 -0.293 0.000 2.525 307 K HA 0.014 4.333 4.320 -0.001 0.000 0.192 307 K C 1.618 177.936 176.600 -0.471 0.000 1.029 307 K CA 0.689 56.825 56.287 -0.253 0.000 1.029 307 K CB 0.254 32.685 32.500 -0.115 0.000 0.814 307 K HN 0.047 nan 8.250 nan 0.000 0.503 308 S N -0.721 114.504 115.700 -0.791 0.000 2.539 308 S HA 0.090 4.560 4.470 -0.001 0.000 0.221 308 S C 1.121 174.869 174.600 -1.420 0.000 0.987 308 S CA -0.313 56.994 58.200 -1.488 0.000 0.929 308 S CB 0.267 62.878 63.200 -0.981 0.000 0.832 308 S HN 0.186 nan 8.310 nan 0.000 0.492 309 E N 1.310 120.956 120.200 -0.924 0.000 2.472 309 E HA 0.096 4.446 4.350 -0.001 0.000 0.200 309 E C 1.688 178.069 176.600 -0.365 0.000 1.046 309 E CA 0.678 56.703 56.400 -0.625 0.000 0.871 309 E CB -0.125 29.294 29.700 -0.468 0.000 0.806 309 E HN 0.761 nan 8.360 nan 0.000 0.533 310 A N 0.833 123.438 122.820 -0.359 0.000 2.251 310 A HA 0.015 4.334 4.320 -0.001 0.000 0.209 310 A C 0.649 178.349 177.584 0.193 0.000 1.187 310 A CA -0.001 52.012 52.037 -0.042 0.000 0.823 310 A CB -0.315 18.722 19.000 0.062 0.000 0.846 310 A HN 0.279 nan 8.150 nan 0.000 0.486 311 F N -2.026 117.970 119.950 0.078 0.000 2.679 311 F HA 0.510 5.037 4.527 -0.001 0.000 0.354 311 F C -0.382 175.527 175.800 0.182 0.000 1.423 311 F CA -1.011 57.140 58.000 0.252 0.000 1.141 311 F CB -0.479 38.604 39.000 0.139 0.000 1.168 311 F HN -0.166 nan 8.300 nan 0.000 0.530 312 L N 3.644 125.024 121.223 0.261 0.000 2.437 312 L HA 0.296 4.636 4.340 -0.001 0.000 0.243 312 L C -0.717 176.383 176.870 0.384 0.000 1.346 312 L CA -0.178 54.797 54.840 0.226 0.000 1.233 312 L CB -0.900 41.247 42.059 0.147 0.000 1.436 312 L HN 0.526 nan 8.230 nan 0.000 0.416 313 F N -1.827 118.288 119.950 0.275 0.000 2.685 313 F HA 0.896 5.423 4.527 -0.000 0.000 0.315 313 F C 0.677 176.613 175.800 0.227 0.000 1.126 313 F CA -0.309 57.845 58.000 0.256 0.000 0.950 313 F CB 0.647 39.815 39.000 0.280 0.000 1.360 313 F HN 0.207 nan 8.300 nan 0.000 0.469 314 G N 1.133 110.062 108.800 0.215 0.000 2.550 314 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.277 314 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.277 314 G C -1.999 172.723 174.900 -0.296 0.000 1.190 314 G CA 0.032 44.964 45.100 -0.280 0.000 0.971 314 G HN 0.674 nan 8.290 nan 0.000 0.559 315 P HA -0.076 nan 4.420 nan 0.000 0.216 315 P C 2.149 179.456 177.300 0.012 0.000 1.154 315 P CA 2.146 65.132 63.100 -0.189 0.000 0.865 315 P CB -0.217 31.328 31.700 -0.260 0.000 0.789 316 V N -0.113 119.845 119.914 0.073 0.000 2.469 316 V HA -0.249 3.870 4.120 -0.001 0.000 0.251 316 V C 2.041 178.240 176.094 0.174 0.000 1.064 316 V CA 2.589 64.976 62.300 0.145 0.000 1.066 316 V CB -0.856 31.108 31.823 0.235 0.000 0.667 316 V HN 0.084 nan 8.190 nan 0.000 0.461 317 D N -0.796 119.699 120.400 0.158 0.000 2.202 317 D HA -0.022 4.618 4.640 -0.001 0.000 0.214 317 D C 1.299 177.687 176.300 0.147 0.000 0.967 317 D CA 0.674 54.778 54.000 0.173 0.000 0.871 317 D CB -0.053 40.870 40.800 0.204 0.000 1.020 317 D HN 0.666 nan 8.370 nan 0.000 0.474 321 L N -0.027 121.301 121.223 0.175 0.000 2.240 321 L HA 0.069 4.409 4.340 -0.001 0.000 0.211 321 L C 2.468 179.390 176.870 0.086 0.000 1.106 321 L CA 1.253 56.162 54.840 0.115 0.000 0.793 321 L CB -0.056 42.047 42.059 0.074 0.000 0.927 321 L HN 0.235 nan 8.230 nan 0.000 0.446 322 D N 0.958 121.480 120.400 0.204 0.000 2.077 322 D HA -0.142 4.498 4.640 -0.001 0.000 0.193 322 D C -0.490 175.914 176.300 0.173 0.000 0.989 322 D CA 1.451 55.633 54.000 0.305 0.000 0.831 322 D CB -1.025 40.019 40.800 0.407 0.000 0.979 322 D HN 0.111 nan 8.370 nan 0.000 0.449 323 P HA -0.076 nan 4.420 nan 0.000 0.220 323 P C 0.366 177.740 177.300 0.124 0.000 1.148 323 P CA 0.552 63.739 63.100 0.144 0.000 0.803 323 P CB -0.104 31.658 31.700 0.104 0.000 0.782 327 S N 1.042 116.953 115.700 0.351 0.000 2.549 327 S HA 0.342 4.812 4.470 -0.001 0.000 0.286 327 S C -0.741 174.164 174.600 0.508 0.000 1.314 327 S CA -0.023 58.382 58.200 0.341 0.000 1.062 327 S CB 0.497 63.830 63.200 0.221 0.000 0.865 327 S HN 0.358 nan 8.310 nan 0.000 0.498 328 W N 5.229 126.631 121.300 0.170 0.000 3.624 328 W HA 0.299 4.959 4.660 -0.001 0.000 0.312 328 W C -2.722 173.842 176.519 0.076 0.000 1.203 328 W CA -1.597 55.796 57.345 0.080 0.000 1.225 328 W CB 1.103 30.543 29.460 -0.034 0.000 1.321 328 W HN 0.523 nan 8.180 nan 0.000 0.506 329 P HA 0.366 nan 4.420 nan 0.000 0.274 329 P C -0.550 176.433 177.300 -0.527 0.000 1.256 329 P CA -0.193 62.113 63.100 -1.323 0.000 0.795 329 P CB 1.581 32.687 31.700 -0.990 0.000 1.038 330 L N -0.284 120.671 121.223 -0.447 0.000 2.431 330 L HA 0.287 4.627 4.340 -0.001 0.000 0.260 330 L C 0.783 177.558 176.870 -0.158 0.000 1.098 330 L CA -0.630 54.127 54.840 -0.138 0.000 0.800 330 L CB 0.307 42.358 42.059 -0.013 0.000 1.210 330 L HN 0.364 nan 8.230 nan 0.000 0.465 331 D N 0.363 120.702 120.400 -0.101 0.000 2.522 331 D HA 0.088 4.728 4.640 -0.001 0.000 0.218 331 D C 0.795 177.009 176.300 -0.144 0.000 1.149 331 D CA 0.034 53.973 54.000 -0.101 0.000 0.981 331 D CB 0.814 41.582 40.800 -0.054 0.000 1.041 331 D HN 0.459 nan 8.370 nan 0.000 0.518 332 Q N 1.297 120.978 119.800 -0.199 0.000 2.135 332 Q HA -0.172 4.168 4.340 -0.001 0.000 0.204 332 Q C 1.302 177.188 176.000 -0.189 0.000 0.981 332 Q CA 1.127 56.746 55.803 -0.306 0.000 0.856 332 Q CB 0.130 28.718 28.738 -0.251 0.000 0.902 332 Q HN 0.392 nan 8.270 nan 0.000 0.425 333 N N 0.721 119.359 118.700 -0.104 0.000 2.120 333 N HA -0.139 4.601 4.740 -0.001 0.000 0.188 333 N C 1.616 177.103 175.510 -0.039 0.000 1.024 333 N CA 1.494 54.512 53.050 -0.053 0.000 0.852 333 N CB -0.408 38.056 38.487 -0.039 0.000 1.003 333 N HN 0.265 nan 8.380 nan 0.000 0.424 334 A N 0.922 123.716 122.820 -0.042 0.000 1.968 334 A HA 0.018 4.338 4.320 -0.001 0.000 0.217 334 A C 2.323 179.920 177.584 0.023 0.000 1.169 334 A CA 0.600 52.629 52.037 -0.013 0.000 0.638 334 A CB -0.565 18.430 19.000 -0.008 0.000 0.812 334 A HN 0.188 nan 8.150 nan 0.000 0.446 335 I N -0.352 120.217 120.570 -0.003 0.000 2.163 335 I HA -0.249 3.921 4.170 -0.001 0.000 0.243 335 I C 2.336 178.524 176.117 0.118 0.000 1.085 335 I CA 1.377 62.719 61.300 0.070 0.000 1.347 335 I CB -0.349 37.491 38.000 -0.267 0.000 1.044 335 I HN 0.157 nan 8.210 nan 0.000 0.408 336 V N 0.204 120.132 119.914 0.023 0.000 2.407 336 V HA -0.304 3.816 4.120 -0.001 0.000 0.248 336 V C 2.390 178.526 176.094 0.071 0.000 1.055 336 V CA 1.783 64.127 62.300 0.073 0.000 1.049 336 V CB -0.754 31.112 31.823 0.072 0.000 0.662 336 V HN 0.476 nan 8.190 nan 0.000 0.455 337 Q N -0.578 119.243 119.800 0.035 0.000 2.124 337 Q HA -0.157 4.183 4.340 -0.001 0.000 0.202 337 Q C 2.223 178.209 176.000 -0.023 0.000 0.977 337 Q CA 1.721 57.526 55.803 0.004 0.000 0.850 337 Q CB -0.207 28.523 28.738 -0.013 0.000 0.901 337 Q HN 0.604 nan 8.270 nan 0.000 0.429 338 I N 0.163 120.731 120.570 -0.003 0.000 2.353 338 I HA -0.249 3.921 4.170 -0.001 0.000 0.248 338 I C 2.047 178.107 176.117 -0.096 0.000 1.119 338 I CA 0.727 61.958 61.300 -0.116 0.000 1.417 338 I CB -0.121 37.783 38.000 -0.161 0.000 1.078 338 I HN 0.181 nan 8.210 nan 0.000 0.421 339 L N 0.679 122.004 121.223 0.170 0.000 2.042 339 L HA -0.262 4.077 4.340 -0.001 0.000 0.210 339 L C 2.299 179.227 176.870 0.096 0.000 1.076 339 L CA 1.421 56.408 54.840 0.245 0.000 0.749 339 L CB -0.647 41.566 42.059 0.256 0.000 0.893 339 L HN 0.366 nan 8.230 nan 0.000 0.432 340 N N -0.657 118.065 118.700 0.038 0.000 2.171 340 N HA -0.128 4.611 4.740 -0.001 0.000 0.184 340 N C 2.058 177.522 175.510 -0.076 0.000 1.021 340 N CA 1.679 54.730 53.050 0.001 0.000 0.854 340 N CB -0.245 38.248 38.487 0.009 0.000 0.994 340 N HN 0.368 nan 8.380 nan 0.000 0.426 341 S N -0.008 115.601 115.700 -0.152 0.000 2.446 341 S HA -0.006 4.464 4.470 -0.001 0.000 0.225 341 S C 0.677 175.050 174.600 -0.378 0.000 1.016 341 S CA 0.170 58.240 58.200 -0.217 0.000 0.943 341 S CB -0.036 63.039 63.200 -0.208 0.000 0.786 341 S HN 0.287 nan 8.310 nan 0.000 0.508 342 Q N 0.865 120.287 119.800 -0.631 0.000 2.494 342 Q HA -0.141 4.199 4.340 -0.001 0.000 0.266 342 Q C -0.488 174.577 176.000 -1.559 0.000 1.053 342 Q CA 0.673 55.682 55.803 -1.323 0.000 1.029 342 Q CB -2.521 25.862 28.738 -0.592 0.000 1.423 342 Q HN 0.855 nan 8.270 nan 0.000 0.516 343 S N -1.579 113.533 115.700 -0.980 0.000 3.869 343 S HA 0.222 4.692 4.470 -0.001 0.000 0.241 343 S C 0.539 174.846 174.600 -0.489 0.000 1.363 343 S CA -0.776 57.062 58.200 -0.604 0.000 0.894 343 S CB -0.550 62.455 63.200 -0.325 0.000 1.519 343 S HN 0.411 nan 8.310 nan 0.000 0.470 344 W N 1.666 122.891 121.300 -0.126 0.000 2.421 344 W HA -0.137 4.522 4.660 -0.001 0.000 0.270 344 W C 2.511 178.966 176.519 -0.108 0.000 1.233 344 W CA 0.490 57.745 57.345 -0.150 0.000 1.226 344 W CB -0.533 28.864 29.460 -0.106 0.000 1.121 344 W HN 0.774 nan 8.180 nan 0.000 0.579 345 S N -0.021 115.718 115.700 0.064 0.000 2.474 345 S HA -0.187 4.283 4.470 -0.001 0.000 0.235 345 S C 1.153 175.767 174.600 0.024 0.000 0.997 345 S CA 1.444 59.666 58.200 0.037 0.000 0.949 345 S CB -0.473 62.733 63.200 0.011 0.000 0.766 345 S HN 0.150 nan 8.310 nan 0.000 0.517 346 D N 2.119 122.515 120.400 -0.007 0.000 2.263 346 D HA 0.012 4.652 4.640 -0.001 0.000 0.208 346 D C 1.626 177.955 176.300 0.048 0.000 0.971 346 D CA 0.749 54.751 54.000 0.002 0.000 0.867 346 D CB -0.355 40.419 40.800 -0.044 0.000 0.929 346 D HN 0.464 nan 8.370 nan 0.000 0.492 347 L N 0.055 121.312 121.223 0.056 0.000 2.418 347 L HA 0.103 4.443 4.340 -0.001 0.000 0.218 347 L C 0.614 177.548 176.870 0.106 0.000 1.125 347 L CA 0.579 55.474 54.840 0.092 0.000 0.835 347 L CB -0.167 41.944 42.059 0.087 0.000 0.953 347 L HN -0.084 nan 8.230 nan 0.000 0.454 348 E N 0.435 120.681 120.200 0.076 0.000 2.212 348 E HA 0.281 4.631 4.350 -0.001 0.000 0.270 348 E C -1.192 175.480 176.600 0.120 0.000 0.956 348 E CA -0.679 55.734 56.400 0.022 0.000 0.825 348 E CB 1.639 31.310 29.700 -0.049 0.000 1.167 348 E HN 0.107 nan 8.360 nan 0.000 0.400 349 W N 0.332 121.635 121.300 0.005 0.000 2.962 349 W HA 0.688 5.347 4.660 -0.000 0.000 0.341 349 W C -1.128 175.392 176.519 0.001 0.000 1.155 349 W CA -0.953 56.394 57.345 0.004 0.000 1.165 349 W CB 0.745 30.209 29.460 0.007 0.000 1.435 349 W HN 0.272 nan 8.180 nan 0.000 0.546 350 S N 0.046 115.909 115.700 0.272 0.000 2.677 350 S HA 0.568 5.038 4.470 -0.001 0.000 0.304 350 S C -0.085 174.701 174.600 0.309 0.000 1.108 350 S CA -0.517 57.751 58.200 0.114 0.000 0.944 350 S CB 1.355 64.586 63.200 0.052 0.000 1.127 350 S HN 0.629 nan 8.310 nan 0.000 0.511 351 E N -0.275 120.034 120.200 0.181 0.000 2.415 351 E HA 0.435 4.785 4.350 -0.001 0.000 0.263 351 E C 1.188 177.874 176.600 0.142 0.000 0.995 351 E CA 0.022 56.545 56.400 0.205 0.000 0.915 351 E CB -0.743 29.024 29.700 0.112 0.000 0.951 351 E HN 1.578 nan 8.360 nan 0.000 0.449 352 G N 2.374 111.252 108.800 0.131 0.000 2.195 352 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.224 352 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.224 352 G C 0.135 175.078 174.900 0.072 0.000 0.990 352 G CA 0.073 45.221 45.100 0.079 0.000 0.639 352 G HN 0.715 nan 8.290 nan 0.000 0.514 353 D N 2.300 122.765 120.400 0.108 0.000 2.382 353 D HA 0.449 5.089 4.640 -0.001 0.000 0.245 353 D C 0.721 177.029 176.300 0.013 0.000 1.120 353 D CA 0.309 54.356 54.000 0.078 0.000 0.890 353 D CB 0.845 41.731 40.800 0.143 0.000 1.201 353 D HN 0.527 nan 8.370 nan 0.000 0.433 354 D N 0.227 120.625 120.400 -0.003 0.000 2.361 354 D HA -0.027 4.613 4.640 -0.001 0.000 0.239 354 D C 0.793 177.050 176.300 -0.072 0.000 1.200 354 D CA -0.208 53.774 54.000 -0.029 0.000 0.915 354 D CB 0.584 41.373 40.800 -0.018 0.000 1.170 354 D HN 0.324 nan 8.370 nan 0.000 0.444 355 E N 0.218 120.370 120.200 -0.079 0.000 2.147 355 E HA -0.291 4.059 4.350 -0.001 0.000 0.199 355 E C 1.956 178.493 176.600 -0.104 0.000 1.005 355 E CA 1.782 58.117 56.400 -0.108 0.000 0.810 355 E CB -0.209 29.447 29.700 -0.074 0.000 0.736 355 E HN 0.626 nan 8.360 nan 0.000 0.460 356 A N 1.226 124.007 122.820 -0.066 0.000 1.898 356 A HA -0.087 4.233 4.320 -0.001 0.000 0.216 356 A C 2.371 179.924 177.584 -0.050 0.000 1.181 356 A CA 1.663 53.670 52.037 -0.050 0.000 0.620 356 A CB -0.575 18.407 19.000 -0.031 0.000 0.819 356 A HN 0.306 nan 8.150 nan 0.000 0.442 357 A N -0.626 122.168 122.820 -0.042 0.000 1.930 357 A HA 0.066 4.386 4.320 -0.001 0.000 0.217 357 A C 2.218 179.780 177.584 -0.036 0.000 1.175 357 A CA 1.650 53.680 52.037 -0.012 0.000 0.627 357 A CB -0.820 18.192 19.000 0.021 0.000 0.815 357 A HN 0.355 nan 8.150 nan 0.000 0.443 358 V N 0.043 119.857 119.914 -0.166 0.000 2.261 358 V HA -0.262 3.858 4.120 -0.001 0.000 0.246 358 V C 2.531 178.448 176.094 -0.295 0.000 1.047 358 V CA 2.243 64.272 62.300 -0.452 0.000 1.015 358 V CB -0.732 30.579 31.823 -0.854 0.000 0.642 358 V HN 0.738 nan 8.190 nan 0.000 0.446 359 E N 0.241 120.328 120.200 -0.189 0.000 2.085 359 E HA -0.212 4.138 4.350 -0.001 0.000 0.194 359 E C 2.343 178.922 176.600 -0.035 0.000 0.994 359 E CA 1.675 58.016 56.400 -0.098 0.000 0.801 359 E CB -0.068 29.588 29.700 -0.073 0.000 0.743 359 E HN 0.608 nan 8.360 nan 0.000 0.453 360 S N 0.407 116.093 115.700 -0.024 0.000 2.368 360 S HA -0.161 4.309 4.470 -0.001 0.000 0.225 360 S C 2.013 176.640 174.600 0.045 0.000 1.030 360 S CA 1.054 59.258 58.200 0.007 0.000 0.999 360 S CB -0.199 63.004 63.200 0.005 0.000 0.844 360 S HN 0.463 nan 8.310 nan 0.000 0.459 361 A N 1.348 124.216 122.820 0.079 0.000 1.898 361 A HA -0.128 4.192 4.320 -0.001 0.000 0.216 361 A C 2.088 179.774 177.584 0.168 0.000 1.181 361 A CA 1.229 53.359 52.037 0.155 0.000 0.620 361 A CB -0.587 18.587 19.000 0.289 0.000 0.819 361 A HN 0.534 nan 8.150 nan 0.000 0.442 362 Q N -0.285 119.599 119.800 0.140 0.000 2.167 362 Q HA -0.114 4.226 4.340 -0.001 0.000 0.202 362 Q C 1.153 177.227 176.000 0.124 0.000 0.970 362 Q CA 1.213 57.100 55.803 0.141 0.000 0.855 362 Q CB -0.163 28.631 28.738 0.094 0.000 0.911 362 Q HN 0.551 nan 8.270 nan 0.000 0.438 363 N N 0.053 118.805 118.700 0.086 0.000 2.521 363 N HA -0.062 4.678 4.740 -0.001 0.000 0.188 363 N C 0.977 176.534 175.510 0.078 0.000 1.146 363 N CA 0.699 53.789 53.050 0.068 0.000 0.893 363 N CB 0.669 39.166 38.487 0.017 0.000 0.975 363 N HN 0.224 nan 8.380 nan 0.000 0.451 364 V N -2.517 117.467 119.914 0.117 0.000 3.253 364 V HA 0.402 4.521 4.120 -0.001 0.000 0.320 364 V C 0.537 176.776 176.094 0.241 0.000 1.442 364 V CA -0.469 61.927 62.300 0.160 0.000 1.097 364 V CB -0.325 31.594 31.823 0.161 0.000 1.008 364 V HN 0.106 nan 8.190 nan 0.000 0.463 365 R N -0.523 120.095 120.500 0.198 0.000 3.176 365 R HA 0.904 5.244 4.340 -0.001 0.000 0.247 365 R C 0.510 176.905 176.300 0.157 0.000 1.382 365 R CA -0.170 56.045 56.100 0.193 0.000 1.040 365 R CB 0.538 30.931 30.300 0.155 0.000 1.426 365 R HN 1.085 nan 8.270 nan 0.000 0.485 366 G N -0.656 108.191 108.800 0.079 0.000 2.782 366 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.228 366 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.228 366 G C -0.041 174.909 174.900 0.083 0.000 1.372 366 G CA 0.096 45.194 45.100 -0.003 0.000 0.862 366 G HN 0.440 nan 8.290 nan 0.000 0.547 367 F N -0.095 119.882 119.950 0.046 0.000 2.120 367 F HA -0.075 4.451 4.527 -0.001 0.000 0.300 367 F C 2.760 178.769 175.800 0.349 0.000 1.095 367 F CA 2.436 60.528 58.000 0.153 0.000 1.249 367 F CB -0.331 38.559 39.000 -0.182 0.000 0.995 367 F HN 0.554 nan 8.300 nan 0.000 0.480 368 H N -1.470 117.973 119.070 0.621 0.000 2.462 368 H HA -0.019 4.537 4.556 -0.001 0.000 0.292 368 H C 2.214 177.824 175.328 0.470 0.000 1.049 368 H CA 1.649 58.038 56.048 0.568 0.000 1.334 368 H CB -0.733 29.401 29.762 0.621 0.000 1.404 368 H HN 0.211 nan 8.280 nan 0.000 0.544 369 T N 1.647 116.443 114.554 0.403 0.000 2.777 369 T HA -0.096 4.254 4.350 -0.001 0.000 0.266 369 T C 2.167 176.934 174.700 0.112 0.000 1.040 369 T CA 0.599 62.811 62.100 0.186 0.000 1.141 369 T CB -0.307 68.614 68.868 0.089 0.000 0.868 369 T HN 0.074 nan 8.240 nan 0.000 0.444 370 L N 1.494 122.818 121.223 0.169 0.000 2.131 370 L HA 0.024 4.363 4.340 -0.001 0.000 0.210 370 L C 2.378 179.251 176.870 0.005 0.000 1.092 370 L CA 1.724 56.635 54.840 0.119 0.000 0.759 370 L CB -0.643 41.571 42.059 0.259 0.000 0.903 370 L HN 0.273 nan 8.230 nan 0.000 0.435 371 E N -1.162 119.010 120.200 -0.046 0.000 2.051 371 E HA -0.307 4.043 4.350 -0.001 0.000 0.192 371 E C 2.212 178.799 176.600 -0.021 0.000 0.991 371 E CA 1.509 57.702 56.400 -0.345 0.000 0.799 371 E CB -0.374 29.132 29.700 -0.323 0.000 0.748 371 E HN 0.504 nan 8.360 nan 0.000 0.449 372 F N 1.191 121.065 119.950 -0.127 0.000 2.126 372 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 372 F C 1.933 177.577 175.800 -0.259 0.000 1.096 372 F CA 1.399 59.116 58.000 -0.472 0.000 1.255 372 F CB -0.051 38.673 39.000 -0.459 0.000 0.997 372 F HN 0.009 nan 8.300 nan 0.000 0.479 373 L N -0.510 120.676 121.223 -0.061 0.000 2.313 373 L HA -0.123 4.217 4.340 -0.001 0.000 0.214 373 L C 2.002 179.057 176.870 0.309 0.000 1.119 373 L CA 0.593 55.425 54.840 -0.014 0.000 0.809 373 L CB -0.357 41.551 42.059 -0.251 0.000 0.933 373 L HN 0.239 nan 8.230 nan 0.000 0.449 374 L N -2.372 118.890 121.223 0.065 0.000 2.408 374 L HA 0.110 4.449 4.340 -0.001 0.000 0.215 374 L C -0.016 176.664 176.870 -0.317 0.000 1.081 374 L CA 0.067 54.885 54.840 -0.037 0.000 0.840 374 L CB 0.268 42.187 42.059 -0.235 0.000 1.002 374 L HN 0.068 nan 8.230 nan 0.000 0.468 375 Y N -0.901 119.253 120.300 -0.244 0.000 2.562 375 Y HA 0.514 5.063 4.550 -0.000 0.000 0.343 375 Y C -0.163 175.525 175.900 -0.353 0.000 1.025 375 Y CA -0.963 56.960 58.100 -0.295 0.000 1.082 375 Y CB 1.794 40.076 38.460 -0.296 0.000 1.264 375 Y HN -0.273 nan 8.280 nan 0.000 0.478 376 K N 1.624 121.952 120.400 -0.120 0.000 2.581 376 K HA 0.227 4.547 4.320 -0.001 0.000 0.249 376 K C -0.859 175.684 176.600 -0.095 0.000 0.966 376 K CA -0.572 55.618 56.287 -0.161 0.000 0.811 376 K CB 0.977 33.369 32.500 -0.180 0.000 1.223 376 K HN 0.771 nan 8.250 nan 0.000 0.438 377 N N 2.544 121.258 118.700 0.024 0.000 2.721 377 N HA -0.234 4.506 4.740 -0.001 0.000 0.249 377 N C 0.395 175.788 175.510 -0.195 0.000 1.072 377 N CA 1.972 55.130 53.050 0.179 0.000 0.710 377 N CB -1.015 37.585 38.487 0.189 0.000 0.993 377 N HN 1.061 nan 8.380 nan 0.000 0.547 378 G N -2.359 106.210 108.800 -0.385 0.000 2.194 378 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.236 378 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.236 378 G C -0.339 174.185 174.900 -0.627 0.000 0.987 378 G CA 0.436 44.895 45.100 -1.069 0.000 0.635 378 G HN 0.477 nan 8.290 nan 0.000 0.520 379 E N 0.436 120.448 120.200 -0.314 0.000 2.277 379 E HA 0.511 4.861 4.350 -0.001 0.000 0.266 379 E C -2.756 173.821 176.600 -0.039 0.000 0.901 379 E CA -2.034 54.275 56.400 -0.152 0.000 0.782 379 E CB 1.915 31.481 29.700 -0.224 0.000 1.228 379 E HN 0.042 nan 8.360 nan 0.000 0.424 380 P HA 0.060 nan 4.420 nan 0.000 0.266 380 P C -0.125 176.950 177.300 -0.375 0.000 1.195 380 P CA 0.183 63.070 63.100 -0.354 0.000 0.768 380 P CB 0.530 32.063 31.700 -0.278 0.000 0.838 381 R N 2.252 122.413 120.500 -0.565 0.000 2.694 381 R HA 0.232 4.572 4.340 -0.001 0.000 0.268 381 R C 0.429 176.179 176.300 -0.916 0.000 1.061 381 R CA 0.144 55.776 56.100 -0.781 0.000 1.133 381 R CB 0.382 30.043 30.300 -1.064 0.000 1.020 381 R HN 0.460 nan 8.270 nan 0.000 0.475 382 K N 0.550 120.559 120.400 -0.651 0.000 2.281 382 K HA 0.353 4.672 4.320 -0.001 0.000 0.242 382 K C -0.867 175.543 176.600 -0.316 0.000 0.971 382 K CA -0.839 55.199 56.287 -0.415 0.000 0.834 382 K CB 2.209 34.574 32.500 -0.224 0.000 1.181 382 K HN 0.170 nan 8.250 nan 0.000 0.435 383 V N 3.103 122.962 119.914 -0.092 0.000 2.498 383 V HA 0.065 4.184 4.120 -0.001 0.000 0.279 383 V C 0.367 176.462 176.094 0.002 0.000 1.048 383 V CA -0.371 61.980 62.300 0.084 0.000 0.967 383 V CB 1.078 33.012 31.823 0.185 0.000 0.988 383 V HN 0.701 nan 8.190 nan 0.000 0.473 384 Q N 0.000 119.788 119.800 -0.019 0.000 2.315 384 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 384 Q CA 0.000 55.772 55.803 -0.052 0.000 1.022 384 Q CB 0.000 28.687 28.738 -0.085 0.000 1.108 384 Q HN 0.000 nan 8.270 nan 0.000 0.481