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 2fyi_1_C DATA FIRST_RESID 80 DATA SEQUENCE LVPRGSHMTN DTSGVLTIAT THTQARYSLP EVIKAFRELF PEVRLELIQG DATA SEQUENCE TPQEIATLLQ NGEADIGIAS ERLSNDPQLV AFPWFRWHHS LLVPHDHPLT DATA SEQUENCE QISPLTLESI AKWPLITYRQ GITGRSRIDD AFARKGLLAD IVLSAQDSDV DATA SEQUENCE IKTYVALGLG IGLVAEQSSG EQEEENLIRL DTRHLFDANT VWLGLKRGQL DATA SEQUENCE QRNYVWRFLE LCNAGLSVED IKRQVMES 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 80 L HA 0.000 nan 4.340 nan 0.000 0.249 80 L C 0.000 176.879 176.870 0.015 0.000 1.165 80 L CA 0.000 54.849 54.840 0.014 0.000 0.813 80 L CB 0.000 42.068 42.059 0.014 0.000 0.961 81 V N 2.104 122.027 119.914 0.014 0.000 2.922 81 V HA 0.126 4.246 4.120 -0.000 0.000 0.242 81 V C -1.695 174.405 176.094 0.011 0.000 1.094 81 V CA 0.738 63.046 62.300 0.013 0.000 1.106 81 V CB 0.200 32.032 31.823 0.015 0.000 0.799 81 V HN 0.459 nan 8.190 nan 0.000 0.474 82 P HA 0.486 nan 4.420 nan 0.000 0.293 82 P C -0.475 176.882 177.300 0.095 0.000 1.304 82 P CA -0.389 62.725 63.100 0.023 0.000 0.767 82 P CB 0.908 32.553 31.700 -0.092 0.000 1.247 83 R N -1.421 119.210 120.500 0.219 0.000 3.236 83 R HA 0.599 4.939 4.340 -0.000 0.000 0.234 83 R C 1.409 177.727 176.300 0.030 0.000 1.541 83 R CA -0.294 55.875 56.100 0.116 0.000 1.038 83 R CB -0.985 29.350 30.300 0.058 0.000 1.587 83 R HN 0.552 nan 8.270 nan 0.000 0.515 84 G N 0.189 108.926 108.800 -0.105 0.000 4.103 84 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.250 84 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.250 84 G C -0.083 174.576 174.900 -0.401 0.000 0.856 84 G CA 1.345 46.322 45.100 -0.204 0.000 0.713 84 G HN 0.454 nan 8.290 nan 0.000 1.486 85 S N 0.344 115.759 115.700 -0.474 0.000 2.528 85 S HA 0.497 4.967 4.470 -0.000 0.000 0.303 85 S C 0.044 174.387 174.600 -0.429 0.000 1.123 85 S CA -0.738 57.229 58.200 -0.388 0.000 1.138 85 S CB -0.199 62.887 63.200 -0.190 0.000 0.984 85 S HN 0.512 nan 8.310 nan 0.000 0.474 86 H N 3.649 122.675 119.070 -0.074 0.000 2.645 86 H HA 0.401 4.957 4.556 -0.000 0.000 0.308 86 H C 0.577 175.854 175.328 -0.086 0.000 1.495 86 H CA -0.745 55.245 56.048 -0.096 0.000 1.518 86 H CB 0.834 30.507 29.762 -0.149 0.000 1.752 86 H HN 0.675 nan 8.280 nan 0.000 0.797 87 M N 0.228 119.860 119.600 0.052 0.000 2.241 87 M HA 0.040 4.519 4.480 -0.000 0.000 0.374 87 M C -0.219 176.070 176.300 -0.017 0.000 0.922 87 M CA 0.097 55.401 55.300 0.006 0.000 1.031 87 M CB 0.507 33.114 32.600 0.011 0.000 1.864 87 M HN 0.517 nan 8.290 nan 0.000 0.636 88 T N -3.025 111.475 114.554 -0.089 0.000 3.174 88 T HA 0.289 4.638 4.350 -0.000 0.000 0.269 88 T C 0.778 175.405 174.700 -0.122 0.000 1.017 88 T CA -0.355 61.657 62.100 -0.146 0.000 0.899 88 T CB -0.350 68.199 68.868 -0.532 0.000 1.077 88 T HN 0.225 nan 8.240 nan 0.000 0.552 89 N N 2.520 121.180 118.700 -0.066 0.000 2.205 89 N HA -0.076 4.664 4.740 -0.000 0.000 0.186 89 N C 0.965 176.476 175.510 0.001 0.000 1.015 89 N CA 1.132 54.160 53.050 -0.037 0.000 0.862 89 N CB -0.077 38.402 38.487 -0.014 0.000 0.986 89 N HN 0.508 nan 8.380 nan 0.000 0.429 90 D N -0.187 120.228 120.400 0.024 0.000 2.398 90 D HA 0.054 4.694 4.640 -0.000 0.000 0.210 90 D C -0.200 176.147 176.300 0.080 0.000 1.094 90 D CA 0.141 54.167 54.000 0.043 0.000 0.839 90 D CB 0.334 41.156 40.800 0.036 0.000 0.963 90 D HN 0.052 nan 8.370 nan 0.000 0.506 91 T N 0.716 115.345 114.554 0.124 0.000 2.908 91 T HA 0.154 4.503 4.350 -0.000 0.000 0.301 91 T C 0.347 175.149 174.700 0.171 0.000 1.019 91 T CA 0.433 62.660 62.100 0.212 0.000 1.152 91 T CB 1.281 70.401 68.868 0.419 0.000 0.966 91 T HN -0.131 nan 8.240 nan 0.000 0.540 92 S N 1.294 117.089 115.700 0.158 0.000 2.599 92 S HA 0.902 5.372 4.470 -0.000 0.000 0.287 92 S C -0.187 174.494 174.600 0.136 0.000 1.105 92 S CA 0.242 58.499 58.200 0.095 0.000 0.899 92 S CB 1.628 64.872 63.200 0.073 0.000 1.100 92 S HN 1.309 nan 8.310 nan 0.000 0.482 93 G N 0.106 108.932 108.800 0.044 0.000 2.369 93 G HA2 0.370 4.330 3.960 -0.000 0.000 0.293 93 G HA3 0.370 4.330 3.960 -0.000 0.000 0.293 93 G C -1.518 173.338 174.900 -0.074 0.000 1.301 93 G CA 0.023 45.179 45.100 0.094 0.000 0.913 93 G HN 1.710 nan 8.290 nan 0.000 0.540 94 V N -0.357 119.559 119.914 0.004 0.000 2.531 94 V HA 0.842 4.962 4.120 -0.000 0.000 0.301 94 V C -1.100 174.967 176.094 -0.044 0.000 1.034 94 V CA -0.846 61.401 62.300 -0.088 0.000 0.865 94 V CB 1.290 33.081 31.823 -0.054 0.000 0.995 94 V HN 1.671 nan 8.190 nan 0.000 0.424 95 L N 6.205 127.313 121.223 -0.191 0.000 2.305 95 L HA 0.816 5.156 4.340 -0.000 0.000 0.284 95 L C -0.067 176.665 176.870 -0.231 0.000 1.013 95 L CA 0.557 55.306 54.840 -0.152 0.000 0.819 95 L CB 1.833 43.688 42.059 -0.341 0.000 1.227 95 L HN 0.812 nan 8.230 nan 0.000 0.417 96 T N 6.651 121.087 114.554 -0.196 0.000 2.779 96 T HA 0.619 4.969 4.350 -0.000 0.000 0.280 96 T C -0.199 174.355 174.700 -0.243 0.000 0.987 96 T CA -0.054 61.929 62.100 -0.196 0.000 0.966 96 T CB 0.732 69.523 68.868 -0.128 0.000 0.933 96 T HN 0.454 nan 8.240 nan 0.000 0.442 97 I N 2.609 123.023 120.570 -0.260 0.000 2.433 97 I HA 0.647 4.817 4.170 -0.000 0.000 0.292 97 I C 0.073 176.099 176.117 -0.152 0.000 1.001 97 I CA -0.913 60.229 61.300 -0.263 0.000 1.119 97 I CB 1.632 39.409 38.000 -0.371 0.000 1.289 97 I HN 0.653 nan 8.210 nan 0.000 0.438 98 A N 4.365 127.120 122.820 -0.109 0.000 2.318 98 A HA 0.866 5.185 4.320 -0.000 0.000 0.324 98 A C -0.364 177.206 177.584 -0.025 0.000 1.170 98 A CA -0.368 51.634 52.037 -0.059 0.000 0.810 98 A CB 1.563 20.535 19.000 -0.047 0.000 1.198 98 A HN 0.646 nan 8.150 nan 0.000 0.484 99 T N 0.023 114.573 114.554 -0.007 0.000 2.769 99 T HA 0.660 5.010 4.350 -0.000 0.000 0.306 99 T C -0.116 174.602 174.700 0.030 0.000 1.400 99 T CA 0.252 62.367 62.100 0.026 0.000 1.007 99 T CB 1.325 70.213 68.868 0.034 0.000 1.392 99 T HN 1.301 nan 8.240 nan 0.000 0.500 100 T N -0.441 114.142 114.554 0.049 0.000 2.912 100 T HA 0.347 4.697 4.350 -0.000 0.000 0.280 100 T C 1.306 176.036 174.700 0.051 0.000 0.989 100 T CA -0.316 61.818 62.100 0.058 0.000 0.995 100 T CB 0.957 69.863 68.868 0.063 0.000 1.077 100 T HN 0.745 nan 8.240 nan 0.000 0.531 101 H N 1.150 120.208 119.070 -0.019 0.000 2.357 101 H HA -0.147 4.408 4.556 -0.000 0.000 0.296 101 H C 1.665 176.928 175.328 -0.107 0.000 1.108 101 H CA 2.659 58.676 56.048 -0.051 0.000 1.273 101 H CB -0.742 29.017 29.762 -0.006 0.000 1.367 101 H HN 0.788 nan 8.280 nan 0.000 0.498 102 T N 2.092 116.735 114.554 0.148 0.000 2.652 102 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 102 T C 2.108 176.786 174.700 -0.037 0.000 1.039 102 T CA 1.890 64.057 62.100 0.113 0.000 1.153 102 T CB -0.137 68.729 68.868 -0.004 0.000 0.863 102 T HN 0.455 nan 8.240 nan 0.000 0.428 103 Q N 1.300 121.095 119.800 -0.009 0.000 2.083 103 Q HA 0.176 4.516 4.340 -0.000 0.000 0.198 103 Q C 2.697 178.684 176.000 -0.022 0.000 0.969 103 Q CA 1.371 57.209 55.803 0.058 0.000 0.838 103 Q CB -1.121 27.739 28.738 0.205 0.000 0.900 103 Q HN 0.566 nan 8.270 nan 0.000 0.436 104 A N 2.017 124.778 122.820 -0.098 0.000 1.948 104 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 104 A C 2.222 179.640 177.584 -0.276 0.000 1.177 104 A CA 1.682 53.629 52.037 -0.150 0.000 0.636 104 A CB -0.369 18.531 19.000 -0.167 0.000 0.815 104 A HN 0.276 nan 8.150 nan 0.000 0.449 105 R N -2.665 117.509 120.500 -0.543 0.000 2.112 105 R HA 0.064 4.404 4.340 -0.000 0.000 0.216 105 R C 1.268 177.234 176.300 -0.557 0.000 1.080 105 R CA 1.323 56.976 56.100 -0.745 0.000 0.996 105 R CB -0.124 29.358 30.300 -1.364 0.000 0.902 105 R HN 0.746 nan 8.270 nan 0.000 0.449 106 Y N -1.203 119.046 120.300 -0.085 0.000 2.445 106 Y HA 0.277 4.827 4.550 -0.001 0.000 0.247 106 Y C 1.713 177.556 175.900 -0.095 0.000 1.129 106 Y CA -0.235 57.814 58.100 -0.085 0.000 1.251 106 Y CB 0.991 39.390 38.460 -0.102 0.000 1.176 106 Y HN -0.082 nan 8.280 nan 0.000 0.522 107 S N -0.966 114.764 115.700 0.050 0.000 2.930 107 S HA 0.139 4.608 4.470 -0.000 0.000 0.253 107 S C 1.450 176.167 174.600 0.195 0.000 1.083 107 S CA -0.173 58.036 58.200 0.016 0.000 0.836 107 S CB 0.016 63.157 63.200 -0.098 0.000 0.814 107 S HN 0.181 nan 8.310 nan 0.000 0.467 108 L N 1.980 123.345 121.223 0.237 0.000 2.109 108 L HA 0.035 4.374 4.340 -0.000 0.000 0.207 108 L C -1.116 175.843 176.870 0.149 0.000 1.086 108 L CA 1.041 56.039 54.840 0.262 0.000 0.760 108 L CB -1.491 40.698 42.059 0.218 0.000 0.910 108 L HN 0.193 nan 8.230 nan 0.000 0.437 109 P HA -0.203 nan 4.420 nan 0.000 0.216 109 P C 1.351 178.693 177.300 0.069 0.000 1.157 109 P CA 1.262 64.395 63.100 0.054 0.000 0.880 109 P CB 0.042 31.752 31.700 0.017 0.000 0.791 110 E N -0.541 119.699 120.200 0.066 0.000 2.058 110 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 110 E C 2.092 178.736 176.600 0.074 0.000 0.997 110 E CA 1.037 57.472 56.400 0.059 0.000 0.801 110 E CB -1.120 28.606 29.700 0.042 0.000 0.746 110 E HN 0.070 nan 8.360 nan 0.000 0.450 111 V N 1.330 121.299 119.914 0.092 0.000 2.358 111 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 111 V C 2.443 178.597 176.094 0.100 0.000 1.047 111 V CA 1.274 63.598 62.300 0.041 0.000 1.035 111 V CB -0.415 31.376 31.823 -0.053 0.000 0.658 111 V HN 0.205 nan 8.190 nan 0.000 0.452 112 I N -0.402 120.258 120.570 0.150 0.000 2.179 112 I HA -0.277 3.892 4.170 -0.000 0.000 0.242 112 I C 2.624 178.862 176.117 0.202 0.000 1.088 112 I CA 1.676 63.097 61.300 0.202 0.000 1.357 112 I CB -0.448 37.635 38.000 0.139 0.000 1.051 112 I HN 0.274 nan 8.210 nan 0.000 0.409 113 K N 0.816 121.293 120.400 0.128 0.000 2.020 113 K HA -0.239 4.081 4.320 -0.000 0.000 0.212 113 K C 2.253 178.918 176.600 0.109 0.000 1.050 113 K CA 1.838 58.186 56.287 0.103 0.000 0.929 113 K CB -0.325 32.214 32.500 0.063 0.000 0.714 113 K HN 0.343 nan 8.250 nan 0.000 0.443 114 A N 0.991 123.872 122.820 0.101 0.000 1.877 114 A HA -0.200 4.119 4.320 -0.000 0.000 0.216 114 A C 2.012 179.662 177.584 0.109 0.000 1.186 114 A CA 1.397 53.475 52.037 0.068 0.000 0.620 114 A CB -0.789 18.237 19.000 0.043 0.000 0.822 114 A HN 0.397 nan 8.150 nan 0.000 0.443 115 F N 1.058 121.045 119.950 0.061 0.000 2.126 115 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 115 F C 2.427 178.329 175.800 0.171 0.000 1.096 115 F CA 2.034 60.133 58.000 0.165 0.000 1.255 115 F CB -0.099 39.038 39.000 0.228 0.000 0.997 115 F HN 0.135 nan 8.300 nan 0.000 0.479 116 R N 0.375 121.033 120.500 0.264 0.000 2.148 116 R HA -0.102 4.238 4.340 -0.000 0.000 0.227 116 R C 1.923 178.216 176.300 -0.011 0.000 1.103 116 R CA 1.468 57.642 56.100 0.124 0.000 0.983 116 R CB -0.659 29.734 30.300 0.155 0.000 0.874 116 R HN 0.489 nan 8.270 nan 0.000 0.451 117 E N 0.943 121.125 120.200 -0.030 0.000 2.072 117 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 117 E C 1.959 178.437 176.600 -0.204 0.000 0.982 117 E CA 0.693 57.044 56.400 -0.082 0.000 0.803 117 E CB -0.123 29.545 29.700 -0.054 0.000 0.755 117 E HN 0.085 nan 8.360 nan 0.000 0.453 118 L N -0.194 120.845 121.223 -0.307 0.000 2.093 118 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 118 L C 0.403 176.816 176.870 -0.760 0.000 1.085 118 L CA 1.432 55.917 54.840 -0.591 0.000 0.755 118 L CB 0.249 41.966 42.059 -0.569 0.000 0.904 118 L HN -0.047 nan 8.230 nan 0.000 0.435 119 F N 0.107 119.774 119.950 -0.471 0.000 2.531 119 F HA 0.367 4.894 4.527 -0.000 0.000 0.333 119 F C -1.530 174.101 175.800 -0.282 0.000 1.292 119 F CA -1.680 56.058 58.000 -0.437 0.000 1.184 119 F CB 0.420 38.968 39.000 -0.754 0.000 1.426 119 F HN -0.050 nan 8.300 nan 0.000 0.559 120 P HA -0.157 nan 4.420 nan 0.000 0.220 120 P C 0.892 178.195 177.300 0.006 0.000 1.148 120 P CA 1.335 64.423 63.100 -0.021 0.000 0.803 120 P CB 0.519 32.201 31.700 -0.029 0.000 0.782 121 E N -0.877 119.334 120.200 0.018 0.000 2.465 121 E HA 0.135 4.485 4.350 -0.000 0.000 0.195 121 E C -0.265 176.337 176.600 0.003 0.000 1.028 121 E CA -0.160 56.251 56.400 0.018 0.000 0.899 121 E CB 0.047 29.763 29.700 0.027 0.000 1.032 121 E HN -0.016 nan 8.360 nan 0.000 0.468 122 V N 1.585 121.489 119.914 -0.017 0.000 2.407 122 V HA 0.301 4.421 4.120 -0.000 0.000 0.278 122 V C 0.285 176.342 176.094 -0.061 0.000 1.037 122 V CA -0.779 61.447 62.300 -0.122 0.000 0.900 122 V CB 1.413 33.045 31.823 -0.318 0.000 0.983 122 V HN 0.077 nan 8.190 nan 0.000 0.459 123 R N 4.100 124.545 120.500 -0.092 0.000 2.389 123 R HA 0.427 4.767 4.340 -0.000 0.000 0.295 123 R C -0.943 175.303 176.300 -0.089 0.000 1.075 123 R CA -0.461 55.603 56.100 -0.059 0.000 1.005 123 R CB 0.603 30.870 30.300 -0.056 0.000 0.987 123 R HN 0.615 nan 8.270 nan 0.000 0.452 124 L N 4.019 125.208 121.223 -0.056 0.000 2.296 124 L HA 0.381 4.721 4.340 -0.000 0.000 0.286 124 L C -1.061 175.741 176.870 -0.112 0.000 1.023 124 L CA 0.021 54.789 54.840 -0.121 0.000 0.812 124 L CB 1.619 43.624 42.059 -0.089 0.000 1.223 124 L HN 0.708 nan 8.230 nan 0.000 0.421 125 E N 5.914 126.028 120.200 -0.143 0.000 2.238 125 E HA 0.608 4.958 4.350 -0.000 0.000 0.267 125 E C -1.411 175.110 176.600 -0.131 0.000 0.887 125 E CA -0.760 55.573 56.400 -0.111 0.000 0.769 125 E CB 2.238 31.883 29.700 -0.092 0.000 1.187 125 E HN 0.488 nan 8.360 nan 0.000 0.416 126 L N 2.631 123.794 121.223 -0.099 0.000 2.362 126 L HA 0.638 4.978 4.340 -0.000 0.000 0.271 126 L C -0.424 176.405 176.870 -0.069 0.000 1.002 126 L CA -1.140 53.642 54.840 -0.097 0.000 0.818 126 L CB 1.232 43.239 42.059 -0.086 0.000 1.298 126 L HN 0.435 nan 8.230 nan 0.000 0.420 127 I N 1.536 122.068 120.570 -0.064 0.000 2.433 127 I HA 0.387 4.557 4.170 -0.000 0.000 0.292 127 I C -0.441 175.657 176.117 -0.032 0.000 1.001 127 I CA -0.454 60.820 61.300 -0.043 0.000 1.119 127 I CB 2.098 40.074 38.000 -0.041 0.000 1.289 127 I HN 0.752 nan 8.210 nan 0.000 0.438 128 Q N 3.920 123.709 119.800 -0.018 0.000 2.245 128 Q HA 0.712 5.052 4.340 -0.000 0.000 0.256 128 Q C -0.673 175.333 176.000 0.008 0.000 0.942 128 Q CA -0.428 55.373 55.803 -0.003 0.000 0.896 128 Q CB 2.336 31.076 28.738 0.002 0.000 1.272 128 Q HN 0.991 nan 8.270 nan 0.000 0.442 129 G N 0.784 109.595 108.800 0.019 0.000 2.548 129 G HA2 0.312 4.272 3.960 -0.000 0.000 0.301 129 G HA3 0.312 4.272 3.960 -0.000 0.000 0.301 129 G C -0.942 173.977 174.900 0.031 0.000 1.349 129 G CA -0.274 44.839 45.100 0.021 0.000 0.792 129 G HN 0.658 nan 8.290 nan 0.000 0.481 130 T N -1.085 113.485 114.554 0.028 0.000 2.868 130 T HA 0.482 4.832 4.350 -0.000 0.000 0.292 130 T C -1.466 173.251 174.700 0.029 0.000 1.028 130 T CA -1.019 61.101 62.100 0.032 0.000 1.059 130 T CB 1.856 70.740 68.868 0.027 0.000 0.991 130 T HN 0.111 nan 8.240 nan 0.000 0.531 131 P HA -0.153 nan 4.420 nan 0.000 0.216 131 P C 1.686 178.995 177.300 0.016 0.000 1.150 131 P CA 1.352 64.472 63.100 0.033 0.000 0.843 131 P CB -0.008 31.717 31.700 0.041 0.000 0.787 132 Q N -0.219 119.589 119.800 0.012 0.000 2.050 132 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 132 Q C 2.138 178.138 176.000 -0.001 0.000 0.980 132 Q CA 1.366 57.171 55.803 0.002 0.000 0.840 132 Q CB -0.676 28.064 28.738 0.004 0.000 0.898 132 Q HN 0.419 nan 8.270 nan 0.000 0.424 133 E N 0.888 121.090 120.200 0.003 0.000 2.077 133 E HA -0.168 4.181 4.350 -0.000 0.000 0.193 133 E C 2.032 178.629 176.600 -0.005 0.000 0.989 133 E CA 0.976 57.376 56.400 -0.001 0.000 0.800 133 E CB -0.132 29.569 29.700 0.002 0.000 0.746 133 E HN 0.328 nan 8.360 nan 0.000 0.452 134 I N 1.026 121.596 120.570 0.000 0.000 2.208 134 I HA -0.310 3.859 4.170 -0.000 0.000 0.245 134 I C 2.512 178.623 176.117 -0.010 0.000 1.097 134 I CA 1.033 62.331 61.300 -0.003 0.000 1.363 134 I CB -0.338 37.669 38.000 0.013 0.000 1.051 134 I HN 0.117 nan 8.210 nan 0.000 0.413 135 A N 0.328 123.141 122.820 -0.011 0.000 1.902 135 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 135 A C 2.381 179.950 177.584 -0.024 0.000 1.181 135 A CA 2.366 54.390 52.037 -0.022 0.000 0.623 135 A CB -1.048 17.935 19.000 -0.028 0.000 0.818 135 A HN 0.383 nan 8.150 nan 0.000 0.443 136 T N 0.761 115.304 114.554 -0.019 0.000 2.652 136 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 136 T C 1.830 176.517 174.700 -0.022 0.000 1.039 136 T CA 1.579 63.667 62.100 -0.020 0.000 1.153 136 T CB -0.511 68.348 68.868 -0.015 0.000 0.863 136 T HN 0.370 nan 8.240 nan 0.000 0.428 137 L N 0.390 121.599 121.223 -0.023 0.000 2.043 137 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 137 L C 2.551 179.400 176.870 -0.035 0.000 1.075 137 L CA 1.282 56.105 54.840 -0.029 0.000 0.752 137 L CB -0.670 41.370 42.059 -0.032 0.000 0.891 137 L HN 0.264 nan 8.230 nan 0.000 0.432 138 L N -0.993 120.209 121.223 -0.034 0.000 2.056 138 L HA -0.224 4.116 4.340 -0.000 0.000 0.207 138 L C 2.712 179.561 176.870 -0.034 0.000 1.078 138 L CA 1.212 56.029 54.840 -0.038 0.000 0.749 138 L CB -0.424 41.615 42.059 -0.034 0.000 0.901 138 L HN 0.332 nan 8.230 nan 0.000 0.433 139 Q N 0.056 119.838 119.800 -0.030 0.000 2.084 139 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 139 Q C 1.655 177.640 176.000 -0.025 0.000 0.978 139 Q CA 1.889 57.676 55.803 -0.026 0.000 0.844 139 Q CB -0.250 28.473 28.738 -0.025 0.000 0.898 139 Q HN 0.629 nan 8.270 nan 0.000 0.426 140 N N -0.872 117.812 118.700 -0.026 0.000 2.494 140 N HA 0.034 4.774 4.740 -0.000 0.000 0.182 140 N C 0.800 176.293 175.510 -0.028 0.000 1.076 140 N CA 0.323 53.358 53.050 -0.024 0.000 0.908 140 N CB 0.413 38.886 38.487 -0.023 0.000 0.967 140 N HN 0.356 nan 8.380 nan 0.000 0.449 141 G N 1.199 109.978 108.800 -0.035 0.000 2.162 141 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.260 141 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.260 141 G C 0.833 175.706 174.900 -0.045 0.000 0.976 141 G CA 0.315 45.390 45.100 -0.043 0.000 0.655 141 G HN 0.337 nan 8.290 nan 0.000 0.533 142 E N -0.133 120.042 120.200 -0.041 0.000 2.268 142 E HA 0.231 4.581 4.350 -0.000 0.000 0.195 142 E C 1.375 177.942 176.600 -0.055 0.000 0.995 142 E CA 1.273 57.647 56.400 -0.042 0.000 0.836 142 E CB 0.078 29.756 29.700 -0.036 0.000 0.763 142 E HN 1.134 nan 8.360 nan 0.000 0.491 143 A N 0.684 123.466 122.820 -0.064 0.000 2.435 143 A HA 0.360 4.680 4.320 -0.000 0.000 0.304 143 A C -0.142 177.382 177.584 -0.101 0.000 1.064 143 A CA -0.722 51.264 52.037 -0.086 0.000 0.727 143 A CB 1.486 20.437 19.000 -0.082 0.000 1.284 143 A HN -0.233 nan 8.150 nan 0.000 0.415 144 D N 0.441 120.760 120.400 -0.135 0.000 2.162 144 D HA 0.140 4.780 4.640 -0.000 0.000 0.205 144 D C 0.197 176.392 176.300 -0.174 0.000 0.964 144 D CA 1.649 55.550 54.000 -0.164 0.000 0.847 144 D CB 0.183 40.869 40.800 -0.190 0.000 0.988 144 D HN 0.541 nan 8.370 nan 0.000 0.480 145 I N -0.095 120.361 120.570 -0.190 0.000 2.545 145 I HA 0.463 4.633 4.170 -0.000 0.000 0.292 145 I C 0.166 176.221 176.117 -0.103 0.000 1.040 145 I CA -0.903 60.307 61.300 -0.150 0.000 1.068 145 I CB 2.639 40.505 38.000 -0.224 0.000 1.251 145 I HN -0.198 nan 8.210 nan 0.000 0.424 146 G N 6.115 114.898 108.800 -0.029 0.000 2.415 146 G HA2 0.816 4.776 3.960 -0.000 0.000 0.327 146 G HA3 0.816 4.776 3.960 -0.000 0.000 0.327 146 G C -1.022 173.919 174.900 0.068 0.000 1.182 146 G CA -0.401 44.701 45.100 0.005 0.000 0.924 146 G HN 0.464 nan 8.290 nan 0.000 0.470 147 I N 1.475 122.097 120.570 0.088 0.000 2.468 147 I HA 0.676 4.846 4.170 -0.000 0.000 0.285 147 I C 0.078 176.299 176.117 0.173 0.000 1.039 147 I CA -0.468 60.936 61.300 0.173 0.000 1.074 147 I CB 1.976 40.102 38.000 0.210 0.000 1.228 147 I HN 0.723 nan 8.210 nan 0.000 0.436 148 A N 3.584 126.530 122.820 0.211 0.000 2.566 148 A HA 0.626 4.945 4.320 -0.000 0.000 0.290 148 A C -0.143 177.590 177.584 0.248 0.000 1.071 148 A CA -0.402 51.743 52.037 0.180 0.000 0.658 148 A CB 1.509 20.589 19.000 0.133 0.000 1.285 148 A HN 0.441 nan 8.150 nan 0.000 0.427 149 S N -0.048 115.785 115.700 0.221 0.000 2.503 149 S HA 0.151 4.621 4.470 -0.000 0.000 0.217 149 S C 0.248 175.038 174.600 0.317 0.000 0.999 149 S CA 0.424 58.797 58.200 0.289 0.000 0.914 149 S CB -0.006 63.375 63.200 0.300 0.000 0.782 149 S HN 0.578 nan 8.310 nan 0.000 0.520 150 E N 1.015 121.336 120.200 0.202 0.000 2.227 150 E HA 0.323 4.673 4.350 -0.000 0.000 0.268 150 E C -0.100 176.525 176.600 0.041 0.000 0.907 150 E CA -0.633 55.836 56.400 0.116 0.000 0.786 150 E CB 1.226 30.974 29.700 0.079 0.000 1.191 150 E HN 0.340 nan 8.360 nan 0.000 0.411 151 R N 0.856 121.336 120.500 -0.033 0.000 3.610 151 R HA -0.215 4.125 4.340 -0.000 0.000 0.274 151 R C -0.503 175.719 176.300 -0.130 0.000 1.123 151 R CA 1.095 57.142 56.100 -0.088 0.000 0.747 151 R CB -2.392 27.881 30.300 -0.045 0.000 1.149 151 R HN 0.515 nan 8.270 nan 0.000 0.471 152 L N -0.455 120.640 121.223 -0.212 0.000 2.537 152 L HA 0.114 4.454 4.340 -0.000 0.000 0.224 152 L C 2.158 178.791 176.870 -0.395 0.000 1.065 152 L CA 0.657 55.368 54.840 -0.215 0.000 0.860 152 L CB 0.271 42.276 42.059 -0.091 0.000 1.086 152 L HN 0.474 nan 8.230 nan 0.000 0.482 153 S N -1.345 113.930 115.700 -0.708 0.000 2.562 153 S HA 0.055 4.525 4.470 -0.000 0.000 0.221 153 S C 1.195 175.484 174.600 -0.519 0.000 0.975 153 S CA 0.221 57.871 58.200 -0.917 0.000 0.918 153 S CB -0.150 61.982 63.200 -1.780 0.000 0.772 153 S HN 0.340 nan 8.310 nan 0.000 0.531 154 N N 1.661 120.144 118.700 -0.360 0.000 2.204 154 N HA 0.176 4.916 4.740 -0.000 0.000 0.219 154 N C -1.026 174.387 175.510 -0.161 0.000 1.151 154 N CA 0.080 52.996 53.050 -0.224 0.000 0.867 154 N CB 0.455 38.839 38.487 -0.172 0.000 1.043 154 N HN 0.437 nan 8.380 nan 0.000 0.516 155 D N 1.249 121.549 120.400 -0.166 0.000 2.280 155 D HA 0.206 4.846 4.640 -0.000 0.000 0.236 155 D C -1.450 174.787 176.300 -0.105 0.000 1.082 155 D CA -2.033 51.898 54.000 -0.115 0.000 0.834 155 D CB 2.124 42.864 40.800 -0.100 0.000 1.100 155 D HN -0.035 nan 8.370 nan 0.000 0.486 156 P HA -0.158 nan 4.420 nan 0.000 0.219 156 P C 0.934 178.201 177.300 -0.056 0.000 1.146 156 P CA 1.022 64.083 63.100 -0.064 0.000 0.808 156 P CB 0.499 32.170 31.700 -0.048 0.000 0.779 157 Q N -1.174 118.594 119.800 -0.054 0.000 2.424 157 Q HA 0.160 4.500 4.340 -0.000 0.000 0.204 157 Q C 0.832 176.806 176.000 -0.044 0.000 0.933 157 Q CA 0.136 55.915 55.803 -0.041 0.000 0.929 157 Q CB 0.147 28.864 28.738 -0.035 0.000 1.037 157 Q HN 0.315 nan 8.270 nan 0.000 0.511 158 L N -0.393 120.789 121.223 -0.068 0.000 2.304 158 L HA 0.576 4.916 4.340 -0.000 0.000 0.268 158 L C -0.430 176.376 176.870 -0.108 0.000 1.010 158 L CA -1.081 53.714 54.840 -0.075 0.000 0.813 158 L CB 1.735 43.739 42.059 -0.090 0.000 1.315 158 L HN -0.302 nan 8.230 nan 0.000 0.445 159 V N 0.484 120.327 119.914 -0.119 0.000 2.577 159 V HA 0.742 4.862 4.120 -0.000 0.000 0.303 159 V C -0.370 175.464 176.094 -0.434 0.000 1.042 159 V CA -0.463 61.692 62.300 -0.242 0.000 0.872 159 V CB 1.704 33.463 31.823 -0.106 0.000 0.998 159 V HN 0.862 nan 8.190 nan 0.000 0.423 160 A N 4.709 127.149 122.820 -0.633 0.000 2.365 160 A HA 0.988 5.308 4.320 -0.000 0.000 0.318 160 A C -1.324 175.908 177.584 -0.587 0.000 1.091 160 A CA -0.394 51.351 52.037 -0.487 0.000 0.763 160 A CB 1.139 19.969 19.000 -0.283 0.000 1.248 160 A HN 0.622 nan 8.150 nan 0.000 0.442 161 F N 1.674 121.893 119.950 0.447 0.000 2.532 161 F HA 0.557 5.084 4.527 -0.000 0.000 0.321 161 F C -2.237 173.782 175.800 0.366 0.000 1.089 161 F CA -2.573 55.675 58.000 0.412 0.000 0.926 161 F CB 2.172 41.318 39.000 0.242 0.000 1.168 161 F HN 0.291 nan 8.300 nan 0.000 0.459 162 P HA -0.060 nan 4.420 nan 0.000 0.271 162 P C -0.351 177.047 177.300 0.163 0.000 1.226 162 P CA 0.048 63.053 63.100 -0.158 0.000 0.765 162 P CB 1.162 32.706 31.700 -0.260 0.000 0.835 163 W N 6.912 128.163 121.300 -0.082 0.000 2.674 163 W HA 0.167 4.827 4.660 -0.001 0.000 0.298 163 W C -0.005 176.634 176.519 0.200 0.000 1.115 163 W CA 0.858 58.264 57.345 0.101 0.000 1.532 163 W CB -0.449 29.116 29.460 0.175 0.000 1.142 163 W HN 0.366 nan 8.180 nan 0.000 0.528 164 F N -1.043 118.879 119.950 -0.046 0.000 2.711 164 F HA 0.661 5.188 4.527 -0.000 0.000 0.313 164 F C -0.579 175.153 175.800 -0.115 0.000 1.141 164 F CA -1.761 56.148 58.000 -0.150 0.000 0.941 164 F CB 0.560 39.365 39.000 -0.324 0.000 1.349 164 F HN -0.364 nan 8.300 nan 0.000 0.464 165 R N 1.479 121.997 120.500 0.029 0.000 2.598 165 R HA 0.582 4.922 4.340 -0.000 0.000 0.279 165 R C -1.377 175.014 176.300 0.152 0.000 0.984 165 R CA -0.684 55.352 56.100 -0.106 0.000 0.999 165 R CB 1.760 31.974 30.300 -0.143 0.000 1.114 165 R HN 0.870 nan 8.270 nan 0.000 0.493 166 W N 0.196 121.358 121.300 -0.230 0.000 3.074 166 W HA 0.403 5.063 4.660 -0.000 0.000 0.332 166 W C -1.642 174.698 176.519 -0.298 0.000 1.253 166 W CA -0.783 56.487 57.345 -0.125 0.000 1.180 166 W CB 0.540 29.958 29.460 -0.069 0.000 1.445 166 W HN 0.530 nan 8.180 nan 0.000 0.573 167 H N -0.379 118.837 119.070 0.243 0.000 2.731 167 H HA 0.413 4.969 4.556 -0.000 0.000 0.368 167 H C -0.632 174.830 175.328 0.223 0.000 1.168 167 H CA -0.575 55.521 56.048 0.080 0.000 1.181 167 H CB 1.678 31.511 29.762 0.119 0.000 1.743 167 H HN 0.309 nan 8.280 nan 0.000 0.547 168 H N -0.315 118.908 119.070 0.256 0.000 2.615 168 H HA 0.383 4.938 4.556 -0.000 0.000 0.363 168 H C 0.032 175.441 175.328 0.134 0.000 1.148 168 H CA 0.226 56.370 56.048 0.161 0.000 1.401 168 H CB 0.940 30.585 29.762 -0.195 0.000 1.461 168 H HN 0.436 nan 8.280 nan 0.000 0.588 169 S N 1.399 117.235 115.700 0.226 0.000 2.632 169 S HA 0.483 4.953 4.470 -0.000 0.000 0.289 169 S C -1.513 173.152 174.600 0.109 0.000 1.115 169 S CA -0.921 57.376 58.200 0.161 0.000 0.889 169 S CB 0.999 64.272 63.200 0.121 0.000 1.116 169 S HN 0.417 nan 8.310 nan 0.000 0.486 170 L N 3.156 124.437 121.223 0.096 0.000 2.272 170 L HA 0.702 5.041 4.340 -0.000 0.000 0.289 170 L C -1.108 175.765 176.870 0.004 0.000 1.032 170 L CA -0.571 54.301 54.840 0.055 0.000 0.810 170 L CB 1.166 43.267 42.059 0.070 0.000 1.205 170 L HN 0.725 nan 8.230 nan 0.000 0.422 171 L N 6.359 127.567 121.223 -0.025 0.000 2.287 171 L HA 0.765 5.105 4.340 -0.000 0.000 0.287 171 L C -1.094 175.726 176.870 -0.084 0.000 1.022 171 L CA -0.078 54.737 54.840 -0.041 0.000 0.814 171 L CB 1.556 43.596 42.059 -0.031 0.000 1.217 171 L HN 0.444 nan 8.230 nan 0.000 0.420 172 V N 6.325 126.187 119.914 -0.086 0.000 2.971 172 V HA 0.549 4.669 4.120 -0.000 0.000 0.309 172 V C -2.356 173.713 176.094 -0.042 0.000 1.130 172 V CA -1.703 60.509 62.300 -0.145 0.000 0.964 172 V CB 2.861 34.540 31.823 -0.240 0.000 1.029 172 V HN 0.679 nan 8.190 nan 0.000 0.427 173 P HA 0.086 nan 4.420 nan 0.000 0.265 173 P C 0.541 177.960 177.300 0.199 0.000 1.193 173 P CA 0.197 63.356 63.100 0.099 0.000 0.765 173 P CB 0.255 32.041 31.700 0.142 0.000 0.823 174 H N 1.670 120.744 119.070 0.006 0.000 2.501 174 H HA -0.179 4.376 4.556 -0.000 0.000 0.296 174 H C -0.125 175.212 175.328 0.014 0.000 1.115 174 H CA 1.809 57.860 56.048 0.005 0.000 1.242 174 H CB -0.812 28.951 29.762 0.002 0.000 1.363 174 H HN 0.327 nan 8.280 nan 0.000 0.537 175 D N -0.456 120.007 120.400 0.104 0.000 2.696 175 D HA 0.105 4.745 4.640 -0.000 0.000 0.269 175 D C -0.429 175.867 176.300 -0.007 0.000 1.319 175 D CA -0.277 53.641 54.000 -0.137 0.000 0.826 175 D CB -0.144 40.489 40.800 -0.278 0.000 1.086 175 D HN 0.564 nan 8.370 nan 0.000 0.481 176 H N -0.276 118.757 119.070 -0.063 0.000 2.629 176 H HA 0.168 4.724 4.556 -0.000 0.000 0.357 176 H C -1.429 173.811 175.328 -0.146 0.000 1.121 176 H CA -1.437 54.537 56.048 -0.123 0.000 1.406 176 H CB 1.405 31.053 29.762 -0.190 0.000 1.456 176 H HN -0.157 nan 8.280 nan 0.000 0.579 177 P HA -0.211 nan 4.420 nan 0.000 0.217 177 P C 1.276 178.590 177.300 0.024 0.000 1.148 177 P CA 1.287 64.295 63.100 -0.153 0.000 0.834 177 P CB 0.164 31.781 31.700 -0.138 0.000 0.783 178 L N -1.211 120.127 121.223 0.192 0.000 2.465 178 L HA -0.062 4.278 4.340 -0.000 0.000 0.224 178 L C 1.925 178.810 176.870 0.025 0.000 1.145 178 L CA 1.552 56.419 54.840 0.046 0.000 0.834 178 L CB -1.064 40.897 42.059 -0.163 0.000 0.944 178 L HN 0.157 nan 8.230 nan 0.000 0.451 179 T N -4.897 109.676 114.554 0.032 0.000 3.148 179 T HA -0.028 4.322 4.350 -0.000 0.000 0.253 179 T C 1.538 176.243 174.700 0.009 0.000 1.134 179 T CA 0.248 62.355 62.100 0.010 0.000 1.051 179 T CB 0.193 69.062 68.868 0.001 0.000 0.959 179 T HN 0.194 nan 8.240 nan 0.000 0.525 180 Q N -0.035 119.776 119.800 0.019 0.000 2.316 180 Q HA 0.358 4.698 4.340 -0.000 0.000 0.235 180 Q C 0.406 176.426 176.000 0.033 0.000 0.863 180 Q CA -0.059 55.754 55.803 0.018 0.000 0.939 180 Q CB 0.630 29.376 28.738 0.013 0.000 1.108 180 Q HN 0.473 nan 8.270 nan 0.000 0.522 181 I N 1.438 122.039 120.570 0.051 0.000 2.517 181 I HA 0.025 4.195 4.170 -0.000 0.000 0.285 181 I C 0.354 176.501 176.117 0.049 0.000 1.106 181 I CA 0.478 61.817 61.300 0.065 0.000 1.402 181 I CB 0.788 38.848 38.000 0.100 0.000 1.399 181 I HN -0.123 nan 8.210 nan 0.000 0.535 182 S N 7.200 122.924 115.700 0.040 0.000 2.526 182 S HA 0.376 4.846 4.470 -0.000 0.000 0.220 182 S C -2.208 172.402 174.600 0.017 0.000 1.159 182 S CA -0.556 57.659 58.200 0.025 0.000 1.196 182 S CB 0.204 63.411 63.200 0.011 0.000 1.225 182 S HN 0.547 nan 8.310 nan 0.000 0.432 183 P HA 0.537 nan 4.420 nan 0.000 0.308 183 P C -1.194 176.152 177.300 0.076 0.000 1.457 183 P CA -0.713 62.405 63.100 0.030 0.000 1.041 183 P CB 1.265 32.981 31.700 0.028 0.000 1.101 184 L N 2.166 123.458 121.223 0.114 0.000 2.361 184 L HA 0.441 4.781 4.340 -0.000 0.000 0.278 184 L C 0.460 177.425 176.870 0.158 0.000 1.113 184 L CA 0.905 55.834 54.840 0.148 0.000 0.849 184 L CB 0.484 42.647 42.059 0.174 0.000 1.155 184 L HN 0.590 nan 8.230 nan 0.000 0.452 185 T N 3.383 117.995 114.554 0.096 0.000 2.926 185 T HA 0.409 4.759 4.350 -0.000 0.000 0.289 185 T C 1.248 175.964 174.700 0.027 0.000 1.054 185 T CA -0.632 61.490 62.100 0.037 0.000 1.015 185 T CB 0.869 69.765 68.868 0.047 0.000 1.167 185 T HN 0.562 nan 8.240 nan 0.000 0.526 186 L N 0.982 122.181 121.223 -0.040 0.000 2.056 186 L HA 0.049 4.389 4.340 -0.000 0.000 0.207 186 L C 2.787 179.800 176.870 0.239 0.000 1.078 186 L CA 1.351 56.216 54.840 0.042 0.000 0.749 186 L CB -0.350 41.636 42.059 -0.122 0.000 0.901 186 L HN 0.789 nan 8.230 nan 0.000 0.433 187 E N 0.072 120.359 120.200 0.146 0.000 2.085 187 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 187 E C 2.280 178.972 176.600 0.154 0.000 0.994 187 E CA 1.737 58.219 56.400 0.136 0.000 0.801 187 E CB 0.080 29.829 29.700 0.082 0.000 0.743 187 E HN 0.534 nan 8.360 nan 0.000 0.453 188 S N 0.069 115.873 115.700 0.174 0.000 2.406 188 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 188 S C 2.013 176.837 174.600 0.373 0.000 1.020 188 S CA 0.538 58.880 58.200 0.237 0.000 0.965 188 S CB -0.334 62.998 63.200 0.220 0.000 0.798 188 S HN 0.252 nan 8.310 nan 0.000 0.488 189 I N 1.921 122.702 120.570 0.351 0.000 2.439 189 I HA -0.001 4.169 4.170 -0.000 0.000 0.251 189 I C 2.775 179.146 176.117 0.423 0.000 1.139 189 I CA 0.930 62.492 61.300 0.436 0.000 1.438 189 I CB -0.463 37.784 38.000 0.412 0.000 1.085 189 I HN 0.428 nan 8.210 nan 0.000 0.427 190 A N 0.649 123.636 122.820 0.278 0.000 2.239 190 A HA -0.097 4.223 4.320 -0.000 0.000 0.209 190 A C 1.996 179.558 177.584 -0.037 0.000 1.171 190 A CA 0.857 52.889 52.037 -0.009 0.000 0.768 190 A CB -0.392 18.543 19.000 -0.109 0.000 0.790 190 A HN 0.356 nan 8.150 nan 0.000 0.478 191 K N -1.683 118.717 120.400 -0.000 0.000 2.400 191 K HA 0.041 4.361 4.320 -0.000 0.000 0.194 191 K C -0.601 175.760 176.600 -0.399 0.000 1.033 191 K CA 0.101 56.238 56.287 -0.250 0.000 1.021 191 K CB 0.179 32.444 32.500 -0.392 0.000 0.808 191 K HN 0.616 nan 8.250 nan 0.000 0.505 192 W N 2.026 123.346 121.300 0.033 0.000 2.578 192 W HA 0.275 4.934 4.660 -0.001 0.000 0.346 192 W C -2.310 174.220 176.519 0.019 0.000 1.075 192 W CA -2.797 54.582 57.345 0.056 0.000 1.233 192 W CB 0.345 29.869 29.460 0.107 0.000 1.358 192 W HN -0.248 nan 8.180 nan 0.000 0.574 193 P HA -0.041 nan 4.420 nan 0.000 0.260 193 P C -0.425 176.956 177.300 0.135 0.000 1.207 193 P CA 0.289 63.476 63.100 0.145 0.000 0.780 193 P CB 0.288 32.072 31.700 0.140 0.000 0.789 194 L N 5.424 126.692 121.223 0.075 0.000 2.350 194 L HA 0.396 4.735 4.340 -0.000 0.000 0.275 194 L C 0.612 177.492 176.870 0.017 0.000 1.099 194 L CA -0.351 54.520 54.840 0.053 0.000 0.808 194 L CB 0.534 42.614 42.059 0.036 0.000 1.149 194 L HN 0.335 nan 8.230 nan 0.000 0.442 195 I N 2.793 123.361 120.570 -0.004 0.000 2.439 195 I HA 0.399 4.569 4.170 -0.000 0.000 0.283 195 I C 0.097 176.152 176.117 -0.103 0.000 1.023 195 I CA 0.058 61.334 61.300 -0.041 0.000 1.100 195 I CB 1.961 39.953 38.000 -0.013 0.000 1.238 195 I HN 0.561 nan 8.210 nan 0.000 0.445 196 T N 3.654 118.124 114.554 -0.139 0.000 2.645 196 T HA 0.475 4.824 4.350 -0.000 0.000 0.300 196 T C -1.199 173.347 174.700 -0.256 0.000 1.210 196 T CA -0.447 61.497 62.100 -0.259 0.000 1.034 196 T CB 0.685 69.471 68.868 -0.137 0.000 1.537 196 T HN 0.211 nan 8.240 nan 0.000 0.492 197 Y N 1.744 122.074 120.300 0.049 0.000 2.379 197 Y HA 0.453 5.003 4.550 -0.000 0.000 0.337 197 Y C 1.674 177.598 175.900 0.041 0.000 1.238 197 Y CA -0.626 57.508 58.100 0.057 0.000 1.405 197 Y CB 0.455 38.984 38.460 0.114 0.000 1.310 197 Y HN 0.264 nan 8.280 nan 0.000 0.569 198 R N 1.248 121.866 120.500 0.196 0.000 2.827 198 R HA -0.010 4.329 4.340 -0.000 0.000 0.269 198 R C -0.288 176.086 176.300 0.124 0.000 1.048 198 R CA -0.339 55.831 56.100 0.118 0.000 1.173 198 R CB 0.237 30.592 30.300 0.091 0.000 1.070 198 R HN 0.722 nan 8.270 nan 0.000 0.498 199 Q N -0.450 119.400 119.800 0.083 0.000 2.315 199 Q HA 0.081 4.421 4.340 -0.000 0.000 0.289 199 Q C 0.943 176.984 176.000 0.070 0.000 1.044 199 Q CA 1.496 57.343 55.803 0.074 0.000 0.920 199 Q CB 0.618 29.387 28.738 0.052 0.000 1.214 199 Q HN 0.889 nan 8.270 nan 0.000 0.392 200 G N 2.353 111.194 108.800 0.069 0.000 2.176 200 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.253 200 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.253 200 G C -0.090 174.851 174.900 0.069 0.000 0.979 200 G CA -0.201 44.934 45.100 0.059 0.000 0.641 200 G HN 0.468 nan 8.290 nan 0.000 0.530 201 I N 1.311 121.934 120.570 0.089 0.000 2.433 201 I HA 0.409 4.579 4.170 -0.000 0.000 0.292 201 I C 1.269 177.404 176.117 0.030 0.000 1.001 201 I CA 0.325 61.667 61.300 0.069 0.000 1.119 201 I CB 0.672 38.734 38.000 0.102 0.000 1.289 201 I HN 0.261 nan 8.210 nan 0.000 0.438 202 T N 3.849 118.393 114.554 -0.017 0.000 3.897 202 T HA -0.203 4.146 4.350 -0.000 0.000 0.353 202 T C 1.086 175.922 174.700 0.226 0.000 0.758 202 T CA 1.155 63.217 62.100 -0.063 0.000 1.883 202 T CB -1.495 66.871 68.868 -0.837 0.000 1.849 202 T HN 1.491 nan 8.240 nan 0.000 0.791 203 G N 0.183 109.110 108.800 0.211 0.000 2.157 203 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.248 203 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.248 203 G C 0.779 175.810 174.900 0.219 0.000 0.979 203 G CA 0.916 46.137 45.100 0.201 0.000 0.650 203 G HN 0.768 nan 8.290 nan 0.000 0.529 204 R N 2.121 122.741 120.500 0.200 0.000 2.159 204 R HA -0.238 4.102 4.340 -0.000 0.000 0.249 204 R C 2.931 179.267 176.300 0.060 0.000 1.136 204 R CA 3.464 59.638 56.100 0.123 0.000 0.951 204 R CB -1.008 29.378 30.300 0.143 0.000 0.876 204 R HN 1.064 nan 8.270 nan 0.000 0.440 205 S N -0.629 115.111 115.700 0.066 0.000 2.419 205 S HA -0.151 4.319 4.470 -0.000 0.000 0.235 205 S C 1.995 176.621 174.600 0.043 0.000 1.019 205 S CA 1.156 59.388 58.200 0.052 0.000 0.982 205 S CB -0.321 62.904 63.200 0.042 0.000 0.789 205 S HN 0.248 nan 8.310 nan 0.000 0.490 206 R N 1.219 121.737 120.500 0.030 0.000 2.092 206 R HA 0.274 4.614 4.340 -0.000 0.000 0.231 206 R C 2.074 178.407 176.300 0.056 0.000 1.119 206 R CA 1.327 57.445 56.100 0.031 0.000 0.970 206 R CB -1.091 29.219 30.300 0.017 0.000 0.864 206 R HN 0.600 nan 8.270 nan 0.000 0.440 207 I N 0.424 120.966 120.570 -0.046 0.000 2.110 207 I HA -0.277 3.892 4.170 -0.000 0.000 0.236 207 I C 1.620 177.851 176.117 0.190 0.000 1.068 207 I CA 1.520 62.824 61.300 0.007 0.000 1.333 207 I CB -0.416 37.487 38.000 -0.161 0.000 1.054 207 I HN 0.086 nan 8.210 nan 0.000 0.402 208 D N 1.118 121.629 120.400 0.186 0.000 2.192 208 D HA -0.248 4.391 4.640 -0.000 0.000 0.189 208 D C 1.738 178.142 176.300 0.173 0.000 1.007 208 D CA 1.832 55.957 54.000 0.208 0.000 0.859 208 D CB -0.540 40.333 40.800 0.122 0.000 0.936 208 D HN 0.354 nan 8.370 nan 0.000 0.447 209 D N -0.132 120.330 120.400 0.103 0.000 2.183 209 D HA -0.009 4.631 4.640 -0.000 0.000 0.203 209 D C 2.002 178.324 176.300 0.037 0.000 0.969 209 D CA 1.089 55.129 54.000 0.066 0.000 0.842 209 D CB -0.357 40.468 40.800 0.042 0.000 0.957 209 D HN 0.187 nan 8.370 nan 0.000 0.484 210 A N 0.414 123.236 122.820 0.002 0.000 1.851 210 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 210 A C 2.109 179.609 177.584 -0.141 0.000 1.195 210 A CA 1.140 53.092 52.037 -0.143 0.000 0.622 210 A CB -1.225 17.603 19.000 -0.286 0.000 0.831 210 A HN 0.215 nan 8.150 nan 0.000 0.444 211 F N 0.174 120.143 119.950 0.032 0.000 2.161 211 F HA -0.159 4.368 4.527 -0.001 0.000 0.300 211 F C 2.795 178.601 175.800 0.009 0.000 1.089 211 F CA 0.813 58.824 58.000 0.019 0.000 1.282 211 F CB -0.193 38.836 39.000 0.048 0.000 1.010 211 F HN 0.286 nan 8.300 nan 0.000 0.485 212 A N 0.415 123.348 122.820 0.188 0.000 1.972 212 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 212 A C 2.180 179.805 177.584 0.069 0.000 1.169 212 A CA 1.376 53.480 52.037 0.111 0.000 0.635 212 A CB -0.596 18.453 19.000 0.083 0.000 0.810 212 A HN 0.330 nan 8.150 nan 0.000 0.446 213 R N -0.387 120.139 120.500 0.044 0.000 2.148 213 R HA -0.037 4.302 4.340 -0.000 0.000 0.227 213 R C 1.066 177.380 176.300 0.023 0.000 1.103 213 R CA 1.099 57.210 56.100 0.017 0.000 0.983 213 R CB -0.108 30.184 30.300 -0.012 0.000 0.874 213 R HN 0.254 nan 8.270 nan 0.000 0.451 214 K N -0.282 120.145 120.400 0.045 0.000 2.444 214 K HA 0.104 4.424 4.320 -0.000 0.000 0.193 214 K C 0.921 177.558 176.600 0.062 0.000 1.024 214 K CA 0.716 57.036 56.287 0.055 0.000 1.077 214 K CB 0.817 33.367 32.500 0.082 0.000 0.833 214 K HN 0.414 nan 8.250 nan 0.000 0.517 215 G N 1.374 110.211 108.800 0.061 0.000 2.143 215 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.249 215 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.249 215 G C -0.027 174.901 174.900 0.047 0.000 0.981 215 G CA 0.035 45.163 45.100 0.046 0.000 0.665 215 G HN 0.237 nan 8.290 nan 0.000 0.528 216 L N -0.268 121.002 121.223 0.078 0.000 2.330 216 L HA 0.773 5.113 4.340 -0.000 0.000 0.271 216 L C 0.601 177.476 176.870 0.008 0.000 1.013 216 L CA -1.229 53.632 54.840 0.034 0.000 0.816 216 L CB 1.757 43.839 42.059 0.039 0.000 1.287 216 L HN 0.027 nan 8.230 nan 0.000 0.435 217 L N 1.352 122.530 121.223 -0.075 0.000 2.331 217 L HA 0.678 5.018 4.340 -0.000 0.000 0.275 217 L C 0.151 176.850 176.870 -0.284 0.000 1.022 217 L CA -0.605 54.169 54.840 -0.109 0.000 0.812 217 L CB 1.786 43.804 42.059 -0.069 0.000 1.257 217 L HN 0.660 nan 8.230 nan 0.000 0.435 218 A N 0.660 123.278 122.820 -0.336 0.000 2.316 218 A HA 0.227 4.547 4.320 -0.000 0.000 0.284 218 A C -0.449 177.014 177.584 -0.202 0.000 1.115 218 A CA -0.389 51.379 52.037 -0.448 0.000 0.812 218 A CB 0.427 19.200 19.000 -0.379 0.000 1.064 218 A HN 0.697 nan 8.150 nan 0.000 0.489 219 D N 2.201 122.502 120.400 -0.165 0.000 2.435 219 D HA 0.175 4.815 4.640 -0.000 0.000 0.230 219 D C -0.310 175.963 176.300 -0.044 0.000 1.215 219 D CA -0.047 53.904 54.000 -0.081 0.000 0.947 219 D CB -0.161 40.605 40.800 -0.056 0.000 1.048 219 D HN 0.253 nan 8.370 nan 0.000 0.512 220 I N 5.486 126.032 120.570 -0.039 0.000 2.291 220 I HA -0.012 4.157 4.170 -0.000 0.000 0.292 220 I C 1.576 177.678 176.117 -0.024 0.000 1.064 220 I CA -0.273 61.013 61.300 -0.024 0.000 1.269 220 I CB 1.054 39.042 38.000 -0.019 0.000 1.418 220 I HN 0.244 nan 8.210 nan 0.000 0.485 221 V N 4.921 124.823 119.914 -0.019 0.000 3.307 221 V HA 0.292 4.411 4.120 -0.000 0.000 0.253 221 V C 0.511 176.570 176.094 -0.058 0.000 1.149 221 V CA 0.339 62.623 62.300 -0.026 0.000 1.112 221 V CB 0.256 32.076 31.823 -0.005 0.000 0.777 221 V HN 0.566 nan 8.190 nan 0.000 0.464 222 L N 0.272 121.454 121.223 -0.068 0.000 2.470 222 L HA 0.649 4.989 4.340 -0.000 0.000 0.268 222 L C -0.690 176.129 176.870 -0.085 0.000 0.964 222 L CA -0.142 54.632 54.840 -0.111 0.000 0.839 222 L CB 2.238 44.185 42.059 -0.187 0.000 1.276 222 L HN -0.006 nan 8.230 nan 0.000 0.403 223 S N 3.918 119.576 115.700 -0.071 0.000 2.466 223 S HA 0.656 5.126 4.470 -0.000 0.000 0.313 223 S C 0.161 174.740 174.600 -0.035 0.000 1.078 223 S CA -0.378 57.801 58.200 -0.036 0.000 1.115 223 S CB 0.854 64.046 63.200 -0.014 0.000 1.006 223 S HN 0.695 nan 8.310 nan 0.000 0.487 224 A N 2.907 125.701 122.820 -0.043 0.000 2.286 224 A HA 0.426 4.745 4.320 -0.000 0.000 0.286 224 A C 0.797 178.427 177.584 0.077 0.000 1.097 224 A CA -0.374 51.648 52.037 -0.025 0.000 0.821 224 A CB 0.451 19.397 19.000 -0.090 0.000 1.076 224 A HN 0.738 nan 8.150 nan 0.000 0.490 225 Q N -0.679 119.159 119.800 0.063 0.000 2.392 225 Q HA 0.142 4.481 4.340 -0.000 0.000 0.203 225 Q C -0.983 175.078 176.000 0.102 0.000 0.917 225 Q CA 0.955 56.816 55.803 0.097 0.000 0.939 225 Q CB 0.274 29.040 28.738 0.046 0.000 1.063 225 Q HN 0.947 nan 8.270 nan 0.000 0.516 226 D N -4.434 115.998 120.400 0.053 0.000 2.648 226 D HA 0.137 4.777 4.640 -0.000 0.000 0.244 226 D C -0.251 176.022 176.300 -0.045 0.000 1.244 226 D CA -0.576 53.361 54.000 -0.105 0.000 0.772 226 D CB 0.581 40.930 40.800 -0.752 0.000 1.379 226 D HN -0.251 nan 8.370 nan 0.000 0.428 227 S N -0.250 115.489 115.700 0.065 0.000 2.423 227 S HA -0.114 4.355 4.470 -0.000 0.000 0.231 227 S C 1.022 175.669 174.600 0.077 0.000 1.014 227 S CA 0.898 59.174 58.200 0.128 0.000 0.965 227 S CB -0.337 63.041 63.200 0.296 0.000 0.785 227 S HN 0.515 nan 8.310 nan 0.000 0.495 228 D N 1.408 121.844 120.400 0.059 0.000 2.117 228 D HA -0.061 4.579 4.640 -0.000 0.000 0.197 228 D C 2.089 178.424 176.300 0.059 0.000 0.987 228 D CA 0.915 54.968 54.000 0.088 0.000 0.829 228 D CB -0.315 40.561 40.800 0.127 0.000 0.961 228 D HN 0.214 nan 8.370 nan 0.000 0.460 229 V N 1.732 121.667 119.914 0.036 0.000 2.332 229 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 229 V C 2.587 178.765 176.094 0.141 0.000 1.055 229 V CA 1.160 63.521 62.300 0.102 0.000 1.038 229 V CB -0.405 31.444 31.823 0.043 0.000 0.651 229 V HN 0.182 nan 8.190 nan 0.000 0.450 230 I N -0.237 120.352 120.570 0.032 0.000 2.127 230 I HA -0.299 3.871 4.170 -0.000 0.000 0.241 230 I C 2.593 178.736 176.117 0.044 0.000 1.075 230 I CA 1.834 63.138 61.300 0.006 0.000 1.334 230 I CB -0.550 37.380 38.000 -0.118 0.000 1.040 230 I HN 0.289 nan 8.210 nan 0.000 0.405 231 K N 0.233 120.649 120.400 0.028 0.000 2.113 231 K HA -0.170 4.149 4.320 -0.000 0.000 0.208 231 K C 2.074 178.671 176.600 -0.005 0.000 1.047 231 K CA 1.972 58.267 56.287 0.013 0.000 0.928 231 K CB -0.503 32.008 32.500 0.019 0.000 0.716 231 K HN 0.373 nan 8.250 nan 0.000 0.446 232 T N 0.526 115.078 114.554 -0.003 0.000 2.708 232 T HA -0.155 4.194 4.350 -0.000 0.000 0.266 232 T C 1.583 176.135 174.700 -0.248 0.000 1.037 232 T CA 1.442 63.460 62.100 -0.138 0.000 1.146 232 T CB -0.295 68.467 68.868 -0.176 0.000 0.865 232 T HN 0.233 nan 8.240 nan 0.000 0.435 233 Y N 0.427 120.717 120.300 -0.016 0.000 2.475 233 Y HA 0.128 4.678 4.550 -0.000 0.000 0.289 233 Y C 2.386 178.282 175.900 -0.007 0.000 1.121 233 Y CA -0.231 57.863 58.100 -0.010 0.000 1.257 233 Y CB -0.379 38.074 38.460 -0.012 0.000 1.026 233 Y HN 0.001 nan 8.280 nan 0.000 0.555 234 V N -0.316 119.644 119.914 0.077 0.000 2.307 234 V HA -0.305 3.815 4.120 -0.000 0.000 0.245 234 V C 2.500 178.595 176.094 0.003 0.000 1.045 234 V CA 1.776 64.095 62.300 0.033 0.000 1.024 234 V CB -1.236 30.589 31.823 0.004 0.000 0.651 234 V HN 0.427 nan 8.190 nan 0.000 0.449 235 A N -0.318 122.482 122.820 -0.032 0.000 1.933 235 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 235 A C 2.215 179.766 177.584 -0.055 0.000 1.175 235 A CA 2.094 54.100 52.037 -0.051 0.000 0.628 235 A CB -0.579 18.379 19.000 -0.072 0.000 0.814 235 A HN 0.487 nan 8.150 nan 0.000 0.444 236 L N -1.576 119.593 121.223 -0.090 0.000 2.083 236 L HA 0.089 4.429 4.340 -0.000 0.000 0.209 236 L C 1.607 178.474 176.870 -0.005 0.000 1.083 236 L CA 1.927 56.715 54.840 -0.086 0.000 0.752 236 L CB 0.044 41.989 42.059 -0.189 0.000 0.899 236 L HN 0.612 nan 8.230 nan 0.000 0.433 237 G N -2.250 106.571 108.800 0.036 0.000 2.234 237 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.153 237 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.153 237 G C 0.498 175.459 174.900 0.102 0.000 1.013 237 G CA 0.156 45.297 45.100 0.068 0.000 0.712 237 G HN 0.198 nan 8.290 nan 0.000 0.491 238 L N 0.712 122.007 121.223 0.120 0.000 2.270 238 L HA 0.608 4.947 4.340 -0.000 0.000 0.210 238 L C 1.396 178.343 176.870 0.129 0.000 1.104 238 L CA 2.600 57.522 54.840 0.137 0.000 0.804 238 L CB 0.092 42.265 42.059 0.191 0.000 0.937 238 L HN 1.056 nan 8.230 nan 0.000 0.450 239 G N -1.547 107.328 108.800 0.125 0.000 2.317 239 G HA2 0.231 4.191 3.960 -0.000 0.000 0.293 239 G HA3 0.231 4.191 3.960 -0.000 0.000 0.293 239 G C -1.313 173.626 174.900 0.066 0.000 1.287 239 G CA -0.279 44.900 45.100 0.132 0.000 0.850 239 G HN 0.229 nan 8.290 nan 0.000 0.515 240 I N -1.112 119.473 120.570 0.025 0.000 2.797 240 I HA 0.863 5.032 4.170 -0.000 0.000 0.310 240 I C 0.558 176.655 176.117 -0.033 0.000 0.990 240 I CA -0.765 60.485 61.300 -0.083 0.000 1.228 240 I CB 1.820 39.687 38.000 -0.222 0.000 1.406 240 I HN 0.822 nan 8.210 nan 0.000 0.534 241 G N 4.099 112.868 108.800 -0.052 0.000 2.448 241 G HA2 0.660 4.620 3.960 -0.000 0.000 0.324 241 G HA3 0.660 4.620 3.960 -0.000 0.000 0.324 241 G C -1.147 173.730 174.900 -0.037 0.000 1.203 241 G CA -0.865 44.207 45.100 -0.047 0.000 0.954 241 G HN 0.610 nan 8.290 nan 0.000 0.480 242 L N 2.351 123.540 121.223 -0.056 0.000 2.301 242 L HA 0.415 4.754 4.340 -0.000 0.000 0.278 242 L C 0.252 177.133 176.870 0.019 0.000 1.022 242 L CA -0.883 53.937 54.840 -0.033 0.000 0.854 242 L CB 1.241 43.224 42.059 -0.127 0.000 1.226 242 L HN 0.450 nan 8.230 nan 0.000 0.429 243 V N 0.317 120.290 119.914 0.098 0.000 3.093 243 V HA 0.834 4.954 4.120 -0.000 0.000 0.320 243 V C 0.548 176.845 176.094 0.338 0.000 1.093 243 V CA -0.922 61.493 62.300 0.192 0.000 1.016 243 V CB 1.594 33.449 31.823 0.053 0.000 1.096 243 V HN 0.652 nan 8.190 nan 0.000 0.452 244 A N 1.119 124.106 122.820 0.278 0.000 2.425 244 A HA 0.350 4.670 4.320 -0.000 0.000 0.249 244 A C 1.134 178.664 177.584 -0.090 0.000 1.084 244 A CA 0.312 52.302 52.037 -0.079 0.000 0.781 244 A CB -0.004 18.569 19.000 -0.712 0.000 1.019 244 A HN 1.172 nan 8.150 nan 0.000 0.490 245 E N 1.233 121.436 120.200 0.005 0.000 2.274 245 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 245 E C 0.763 177.298 176.600 -0.109 0.000 0.996 245 E CA 1.329 57.736 56.400 0.012 0.000 0.840 245 E CB -0.271 29.503 29.700 0.123 0.000 0.772 245 E HN 0.855 nan 8.360 nan 0.000 0.491 246 Q N 0.967 120.644 119.800 -0.205 0.000 2.431 246 Q HA 0.083 4.423 4.340 -0.000 0.000 0.210 246 Q C 1.010 176.694 176.000 -0.526 0.000 0.958 246 Q CA 0.757 56.400 55.803 -0.267 0.000 0.957 246 Q CB 0.317 28.918 28.738 -0.228 0.000 1.007 246 Q HN 0.191 nan 8.270 nan 0.000 0.511 247 S N -0.157 115.160 115.700 -0.639 0.000 2.556 247 S HA 0.022 4.492 4.470 -0.000 0.000 0.216 247 S C 0.602 174.922 174.600 -0.468 0.000 0.970 247 S CA -0.378 57.193 58.200 -1.049 0.000 0.912 247 S CB 0.305 63.077 63.200 -0.714 0.000 0.790 247 S HN 0.340 nan 8.310 nan 0.000 0.504 248 S N 2.607 118.154 115.700 -0.255 0.000 2.700 248 S HA 0.477 4.947 4.470 -0.000 0.000 0.321 248 S C 0.816 175.379 174.600 -0.063 0.000 1.161 248 S CA -0.717 57.414 58.200 -0.114 0.000 1.078 248 S CB -0.063 63.093 63.200 -0.072 0.000 1.302 248 S HN 0.399 nan 8.310 nan 0.000 0.540 249 G N 2.217 111.013 108.800 -0.007 0.000 2.732 249 G HA2 0.132 4.092 3.960 -0.000 0.000 0.244 249 G HA3 0.132 4.092 3.960 -0.000 0.000 0.244 249 G C 0.894 175.815 174.900 0.034 0.000 1.226 249 G CA -0.537 44.600 45.100 0.062 0.000 0.860 249 G HN 0.618 nan 8.290 nan 0.000 0.583 250 E N 0.390 120.615 120.200 0.041 0.000 2.054 250 E HA -0.224 4.126 4.350 -0.000 0.000 0.225 250 E C 1.517 178.128 176.600 0.018 0.000 1.048 250 E CA 1.649 58.063 56.400 0.024 0.000 0.899 250 E CB -0.490 29.225 29.700 0.025 0.000 0.801 250 E HN 0.773 nan 8.360 nan 0.000 0.495 251 Q N 1.769 121.582 119.800 0.022 0.000 2.257 251 Q HA 0.009 4.349 4.340 -0.000 0.000 0.273 251 Q C 0.609 176.621 176.000 0.020 0.000 1.153 251 Q CA 0.137 55.951 55.803 0.018 0.000 0.922 251 Q CB 0.168 28.918 28.738 0.020 0.000 1.242 251 Q HN 0.244 nan 8.270 nan 0.000 0.409 252 E N 3.247 123.454 120.200 0.011 0.000 2.047 252 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 252 E C -0.705 175.900 176.600 0.007 0.000 0.987 252 E CA 0.942 57.346 56.400 0.006 0.000 0.799 252 E CB -0.243 29.457 29.700 -0.001 0.000 0.752 252 E HN 0.795 nan 8.360 nan 0.000 0.449 253 E N 1.348 121.550 120.200 0.003 0.000 2.442 253 E HA -0.236 4.114 4.350 -0.000 0.000 0.177 253 E C -1.258 175.335 176.600 -0.011 0.000 1.505 253 E CA 0.940 57.339 56.400 -0.002 0.000 0.662 253 E CB -2.018 27.687 29.700 0.007 0.000 1.117 253 E HN 0.665 nan 8.360 nan 0.000 0.375 254 E N 0.678 120.867 120.200 -0.020 0.000 3.287 254 E HA 0.112 4.461 4.350 -0.000 0.000 0.355 254 E C -0.909 175.667 176.600 -0.039 0.000 1.027 254 E CA -0.899 55.483 56.400 -0.030 0.000 0.840 254 E CB 0.401 30.089 29.700 -0.020 0.000 1.273 254 E HN 0.248 nan 8.360 nan 0.000 0.458 255 N N 5.188 123.842 118.700 -0.076 0.000 3.209 255 N HA 0.189 4.929 4.740 -0.000 0.000 0.309 255 N C -0.837 174.612 175.510 -0.103 0.000 1.384 255 N CA -0.265 52.718 53.050 -0.111 0.000 1.173 255 N CB 0.181 38.538 38.487 -0.217 0.000 1.460 255 N HN 0.488 nan 8.380 nan 0.000 0.534 256 L N 0.474 121.678 121.223 -0.030 0.000 2.341 256 L HA 0.626 4.965 4.340 -0.000 0.000 0.267 256 L C -0.005 176.877 176.870 0.020 0.000 1.009 256 L CA -1.095 53.746 54.840 0.001 0.000 0.819 256 L CB 2.107 44.156 42.059 -0.017 0.000 1.323 256 L HN 0.009 nan 8.230 nan 0.000 0.425 257 I N 1.319 121.905 120.570 0.027 0.000 2.562 257 I HA 0.451 4.621 4.170 -0.000 0.000 0.301 257 I C -0.241 175.876 176.117 0.000 0.000 1.003 257 I CA -0.793 60.519 61.300 0.020 0.000 1.127 257 I CB 1.879 39.898 38.000 0.031 0.000 1.304 257 I HN 0.504 nan 8.210 nan 0.000 0.446 258 R N 5.455 125.957 120.500 0.003 0.000 2.428 258 R HA 0.687 5.027 4.340 -0.000 0.000 0.294 258 R C -1.242 175.067 176.300 0.016 0.000 1.000 258 R CA -0.756 55.348 56.100 0.006 0.000 0.960 258 R CB 1.243 31.547 30.300 0.007 0.000 1.076 258 R HN 0.464 nan 8.270 nan 0.000 0.475 259 L N 1.724 122.963 121.223 0.027 0.000 2.362 259 L HA 0.251 4.591 4.340 -0.000 0.000 0.275 259 L C -0.360 176.559 176.870 0.082 0.000 0.998 259 L CA -1.114 53.752 54.840 0.043 0.000 0.820 259 L CB 1.974 44.054 42.059 0.034 0.000 1.270 259 L HN 0.551 nan 8.230 nan 0.000 0.415 260 D N 1.490 121.940 120.400 0.085 0.000 2.401 260 D HA 0.084 4.724 4.640 -0.000 0.000 0.254 260 D C 0.646 177.068 176.300 0.203 0.000 1.192 260 D CA 0.104 54.171 54.000 0.111 0.000 0.885 260 D CB 1.017 41.853 40.800 0.061 0.000 1.147 260 D HN 0.618 nan 8.370 nan 0.000 0.478 261 T N 0.873 115.561 114.554 0.222 0.000 3.339 261 T HA 0.186 4.536 4.350 -0.000 0.000 0.292 261 T C 1.170 175.973 174.700 0.172 0.000 1.012 261 T CA -0.638 61.600 62.100 0.231 0.000 0.937 261 T CB -0.010 69.064 68.868 0.344 0.000 1.164 261 T HN 0.354 nan 8.240 nan 0.000 0.509 262 R N 1.282 121.850 120.500 0.115 0.000 2.189 262 R HA -0.065 4.275 4.340 -0.000 0.000 0.223 262 R C 1.944 178.199 176.300 -0.076 0.000 1.092 262 R CA 1.405 57.410 56.100 -0.157 0.000 0.989 262 R CB -0.653 29.362 30.300 -0.475 0.000 0.876 262 R HN 0.709 nan 8.270 nan 0.000 0.457 263 H N 0.002 119.008 119.070 -0.107 0.000 2.556 263 H HA 0.111 4.666 4.556 -0.000 0.000 0.268 263 H C 1.401 176.641 175.328 -0.146 0.000 0.996 263 H CA 0.444 56.431 56.048 -0.103 0.000 1.157 263 H CB -0.038 29.675 29.762 -0.083 0.000 1.355 263 H HN 0.212 nan 8.280 nan 0.000 0.597 264 L N -1.005 119.847 121.223 -0.618 0.000 2.624 264 L HA 0.262 4.602 4.340 -0.000 0.000 0.222 264 L C -0.121 176.270 176.870 -0.799 0.000 1.046 264 L CA 0.027 54.366 54.840 -0.835 0.000 0.872 264 L CB 0.327 41.667 42.059 -1.198 0.000 1.190 264 L HN -0.043 nan 8.230 nan 0.000 0.487 265 F N -0.240 119.633 119.950 -0.128 0.000 2.492 265 F HA 0.396 4.923 4.527 -0.001 0.000 0.327 265 F C 0.082 175.928 175.800 0.076 0.000 1.079 265 F CA -1.198 56.774 58.000 -0.047 0.000 0.967 265 F CB 0.825 39.826 39.000 0.001 0.000 1.169 265 F HN -0.219 nan 8.300 nan 0.000 0.472 266 D N 0.659 121.175 120.400 0.194 0.000 2.354 266 D HA 0.509 5.148 4.640 -0.000 0.000 0.247 266 D C -0.019 176.229 176.300 -0.087 0.000 1.138 266 D CA -0.117 53.942 54.000 0.098 0.000 0.958 266 D CB 1.150 41.961 40.800 0.018 0.000 1.144 266 D HN 0.642 nan 8.370 nan 0.000 0.458 267 A N 1.332 123.966 122.820 -0.309 0.000 2.296 267 A HA 0.393 4.713 4.320 -0.000 0.000 0.264 267 A C 0.185 177.363 177.584 -0.677 0.000 1.097 267 A CA -0.398 51.153 52.037 -0.810 0.000 0.811 267 A CB 0.330 18.873 19.000 -0.762 0.000 1.072 267 A HN 0.560 nan 8.150 nan 0.000 0.495 268 N N -0.835 117.249 118.700 -1.027 0.000 2.381 268 N HA 0.563 5.303 4.740 -0.000 0.000 0.294 268 N C -1.333 173.676 175.510 -0.835 0.000 1.216 268 N CA -0.307 52.114 53.050 -1.049 0.000 0.803 268 N CB 2.059 39.356 38.487 -1.983 0.000 1.372 268 N HN 0.541 nan 8.380 nan 0.000 0.500 269 T N 0.452 114.676 114.554 -0.550 0.000 2.841 269 T HA 0.294 4.644 4.350 -0.000 0.000 0.285 269 T C -0.083 174.307 174.700 -0.516 0.000 0.991 269 T CA -0.488 61.248 62.100 -0.607 0.000 0.966 269 T CB 1.566 69.939 68.868 -0.825 0.000 0.962 269 T HN 0.094 nan 8.240 nan 0.000 0.438 270 V N 3.749 123.370 119.914 -0.490 0.000 2.530 270 V HA 0.299 4.419 4.120 -0.000 0.000 0.282 270 V C -0.445 175.529 176.094 -0.200 0.000 1.048 270 V CA -0.522 61.624 62.300 -0.258 0.000 0.997 270 V CB 0.317 31.915 31.823 -0.375 0.000 0.987 270 V HN 0.796 nan 8.190 nan 0.000 0.477 271 W N 4.367 125.740 121.300 0.122 0.000 2.516 271 W HA 0.687 5.347 4.660 0.000 0.000 0.343 271 W C -0.407 176.224 176.519 0.186 0.000 1.094 271 W CA -0.640 56.786 57.345 0.135 0.000 1.250 271 W CB 1.186 30.679 29.460 0.054 0.000 1.308 271 W HN 0.341 nan 8.180 nan 0.000 0.588 272 L N 2.879 124.389 121.223 0.477 0.000 2.287 272 L HA 0.712 5.052 4.340 -0.000 0.000 0.287 272 L C 0.533 177.595 176.870 0.321 0.000 1.022 272 L CA -0.635 54.417 54.840 0.353 0.000 0.814 272 L CB 0.950 43.204 42.059 0.325 0.000 1.217 272 L HN 0.541 nan 8.230 nan 0.000 0.420 273 G N 4.186 113.105 108.800 0.198 0.000 2.470 273 G HA2 0.754 4.714 3.960 -0.000 0.000 0.320 273 G HA3 0.754 4.714 3.960 -0.000 0.000 0.320 273 G C -1.005 173.948 174.900 0.088 0.000 1.245 273 G CA -0.395 44.771 45.100 0.110 0.000 0.935 273 G HN 0.361 nan 8.290 nan 0.000 0.476 274 L N 0.640 121.919 121.223 0.093 0.000 2.333 274 L HA 0.550 4.890 4.340 -0.000 0.000 0.263 274 L C 0.128 177.015 176.870 0.029 0.000 1.014 274 L CA -1.215 53.666 54.840 0.067 0.000 0.820 274 L CB 2.634 44.791 42.059 0.164 0.000 1.352 274 L HN 0.509 nan 8.230 nan 0.000 0.421 275 K N 1.911 122.313 120.400 0.003 0.000 2.322 275 K HA 0.233 4.553 4.320 -0.000 0.000 0.283 275 K C -0.074 176.543 176.600 0.028 0.000 1.042 275 K CA -0.362 55.924 56.287 -0.002 0.000 0.958 275 K CB 0.853 33.341 32.500 -0.019 0.000 0.984 275 K HN 0.441 nan 8.250 nan 0.000 0.473 276 R N 2.713 123.225 120.500 0.020 0.000 2.643 276 R HA 0.098 4.437 4.340 -0.000 0.000 0.270 276 R C 0.274 176.604 176.300 0.049 0.000 1.061 276 R CA 1.294 57.419 56.100 0.041 0.000 1.107 276 R CB 0.191 30.500 30.300 0.015 0.000 0.999 276 R HN 0.972 nan 8.270 nan 0.000 0.460 277 G N 2.366 111.210 108.800 0.074 0.000 2.305 277 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.287 277 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.287 277 G C -0.430 174.511 174.900 0.068 0.000 1.036 277 G CA 0.876 46.017 45.100 0.067 0.000 0.887 277 G HN 0.579 nan 8.290 nan 0.000 0.505 278 Q N -0.445 119.409 119.800 0.091 0.000 2.290 278 Q HA 0.664 5.004 4.340 -0.000 0.000 0.269 278 Q C 0.220 176.278 176.000 0.098 0.000 1.016 278 Q CA -0.892 54.948 55.803 0.062 0.000 0.754 278 Q CB 0.933 29.683 28.738 0.020 0.000 1.247 278 Q HN 0.322 nan 8.270 nan 0.000 0.451 279 L N 2.658 123.940 121.223 0.098 0.000 2.473 279 L HA 0.329 4.669 4.340 -0.000 0.000 0.268 279 L C 0.356 177.245 176.870 0.033 0.000 1.215 279 L CA -0.189 54.745 54.840 0.157 0.000 0.823 279 L CB 0.460 42.587 42.059 0.114 0.000 1.099 279 L HN 0.597 nan 8.230 nan 0.000 0.483 280 Q N 1.183 121.005 119.800 0.037 0.000 2.416 280 Q HA 0.446 4.786 4.340 -0.000 0.000 0.281 280 Q C -0.973 174.868 176.000 -0.265 0.000 1.067 280 Q CA -1.027 54.572 55.803 -0.341 0.000 0.809 280 Q CB 2.356 30.455 28.738 -1.064 0.000 1.418 280 Q HN 0.419 nan 8.270 nan 0.000 0.411 281 R N 1.823 122.058 120.500 -0.441 0.000 2.734 281 R HA 0.022 4.362 4.340 -0.000 0.000 0.266 281 R C 1.436 177.448 176.300 -0.480 0.000 1.044 281 R CA 0.083 55.879 56.100 -0.506 0.000 1.128 281 R CB 0.305 30.056 30.300 -0.914 0.000 1.010 281 R HN 0.793 nan 8.270 nan 0.000 0.461 282 N N 2.635 121.207 118.700 -0.213 0.000 2.149 282 N HA -0.261 4.479 4.740 -0.000 0.000 0.188 282 N C 1.632 177.140 175.510 -0.004 0.000 1.019 282 N CA 2.094 55.187 53.050 0.071 0.000 0.857 282 N CB -0.698 37.880 38.487 0.153 0.000 0.997 282 N HN 0.786 nan 8.380 nan 0.000 0.426 283 Y N -0.124 120.128 120.300 -0.079 0.000 2.421 283 Y HA 0.121 4.671 4.550 -0.000 0.000 0.292 283 Y C 2.267 178.109 175.900 -0.097 0.000 1.136 283 Y CA 0.217 58.142 58.100 -0.292 0.000 1.255 283 Y CB -0.518 37.528 38.460 -0.690 0.000 0.991 283 Y HN -0.151 nan 8.280 nan 0.000 0.552 284 V N 0.305 120.076 119.914 -0.239 0.000 2.270 284 V HA -0.267 3.853 4.120 -0.000 0.000 0.245 284 V C 2.105 178.122 176.094 -0.128 0.000 1.043 284 V CA 1.920 64.063 62.300 -0.262 0.000 1.014 284 V CB -0.956 30.490 31.823 -0.629 0.000 0.645 284 V HN 0.613 nan 8.190 nan 0.000 0.447 285 W N -0.028 121.274 121.300 0.003 0.000 2.342 285 W HA -0.190 4.470 4.660 -0.001 0.000 0.297 285 W C 2.758 179.322 176.519 0.075 0.000 1.213 285 W CA 1.084 58.438 57.345 0.016 0.000 1.251 285 W CB -0.401 29.052 29.460 -0.011 0.000 1.136 285 W HN 0.063 nan 8.180 nan 0.000 0.526 286 R N 0.302 121.012 120.500 0.350 0.000 2.075 286 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 286 R C 2.001 178.498 176.300 0.328 0.000 1.126 286 R CA 1.596 57.902 56.100 0.344 0.000 0.963 286 R CB -1.216 29.363 30.300 0.465 0.000 0.858 286 R HN 0.259 nan 8.270 nan 0.000 0.435 287 F N 0.289 120.361 119.950 0.203 0.000 2.171 287 F HA -0.119 4.407 4.527 -0.000 0.000 0.300 287 F C 1.453 177.248 175.800 -0.008 0.000 1.090 287 F CA 1.373 59.445 58.000 0.120 0.000 1.293 287 F CB 0.006 38.948 39.000 -0.097 0.000 1.013 287 F HN -0.000 nan 8.300 nan 0.000 0.486 288 L N -0.091 121.240 121.223 0.180 0.000 2.141 288 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 288 L C 2.353 179.182 176.870 -0.069 0.000 1.094 288 L CA 1.659 56.517 54.840 0.031 0.000 0.763 288 L CB -0.773 41.340 42.059 0.089 0.000 0.908 288 L HN 0.236 nan 8.230 nan 0.000 0.437 289 E N 0.292 120.494 120.200 0.003 0.000 2.208 289 E HA -0.199 4.150 4.350 -0.000 0.000 0.193 289 E C 2.130 178.704 176.600 -0.044 0.000 0.988 289 E CA 0.472 56.871 56.400 -0.002 0.000 0.828 289 E CB 0.210 29.943 29.700 0.055 0.000 0.763 289 E HN 0.221 nan 8.360 nan 0.000 0.478 290 L N 0.165 121.326 121.223 -0.102 0.000 2.217 290 L HA -0.073 4.266 4.340 -0.000 0.000 0.211 290 L C 1.839 178.584 176.870 -0.209 0.000 1.107 290 L CA 0.925 55.681 54.840 -0.139 0.000 0.783 290 L CB -0.359 41.600 42.059 -0.166 0.000 0.919 290 L HN 0.347 nan 8.230 nan 0.000 0.442 291 C N -0.772 118.307 119.300 -0.368 0.000 3.244 291 C HA 0.057 4.517 4.460 -0.000 0.000 0.291 291 C C 1.264 176.250 174.990 -0.007 0.000 1.295 291 C CA 0.061 58.833 59.018 -0.410 0.000 1.739 291 C CB -0.740 26.345 27.740 -1.092 0.000 2.165 291 C HN 0.554 nan 8.230 nan 0.000 0.497 292 N N 0.535 119.206 118.700 -0.049 0.000 2.501 292 N HA 0.415 5.155 4.740 -0.000 0.000 0.245 292 N C -0.130 175.420 175.510 0.068 0.000 0.974 292 N CA -0.044 53.105 53.050 0.165 0.000 0.941 292 N CB 1.192 39.819 38.487 0.233 0.000 1.122 292 N HN 0.372 nan 8.380 nan 0.000 0.507 293 A N 2.411 125.275 122.820 0.073 0.000 2.276 293 A HA 0.249 4.569 4.320 -0.000 0.000 0.212 293 A C 1.560 179.170 177.584 0.044 0.000 1.230 293 A CA 0.447 52.509 52.037 0.041 0.000 0.844 293 A CB -0.541 18.481 19.000 0.036 0.000 0.860 293 A HN 0.703 nan 8.150 nan 0.000 0.486 294 G N -0.422 108.416 108.800 0.063 0.000 2.551 294 G HA2 0.220 4.180 3.960 -0.000 0.000 0.216 294 G HA3 0.220 4.180 3.960 -0.000 0.000 0.216 294 G C 0.588 175.514 174.900 0.043 0.000 1.137 294 G CA -0.051 45.084 45.100 0.059 0.000 0.798 294 G HN 0.431 nan 8.290 nan 0.000 0.536 295 L N 1.610 122.850 121.223 0.028 0.000 2.331 295 L HA 0.309 4.648 4.340 -0.000 0.000 0.278 295 L C 0.666 177.516 176.870 -0.033 0.000 1.106 295 L CA -0.427 54.406 54.840 -0.012 0.000 0.824 295 L CB 1.625 43.642 42.059 -0.071 0.000 1.142 295 L HN 0.002 nan 8.230 nan 0.000 0.443 296 S N 1.795 117.471 115.700 -0.040 0.000 2.505 296 S HA 0.114 4.584 4.470 -0.000 0.000 0.276 296 S C 1.172 175.710 174.600 -0.103 0.000 1.274 296 S CA -0.693 57.475 58.200 -0.054 0.000 1.053 296 S CB 1.132 64.306 63.200 -0.042 0.000 0.919 296 S HN 0.442 nan 8.310 nan 0.000 0.490 297 V N 5.652 125.507 119.914 -0.098 0.000 2.332 297 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 297 V C 2.298 178.246 176.094 -0.244 0.000 1.055 297 V CA 2.220 64.432 62.300 -0.147 0.000 1.038 297 V CB -0.716 31.053 31.823 -0.089 0.000 0.651 297 V HN 0.923 nan 8.190 nan 0.000 0.450 298 E N -0.425 119.663 120.200 -0.188 0.000 2.147 298 E HA -0.305 4.045 4.350 -0.000 0.000 0.199 298 E C 1.893 178.395 176.600 -0.163 0.000 1.005 298 E CA 1.775 58.063 56.400 -0.186 0.000 0.810 298 E CB -0.212 29.418 29.700 -0.117 0.000 0.736 298 E HN 0.625 nan 8.360 nan 0.000 0.460 299 D N 0.258 120.584 120.400 -0.123 0.000 2.097 299 D HA -0.091 4.548 4.640 -0.000 0.000 0.197 299 D C 1.899 178.150 176.300 -0.080 0.000 0.984 299 D CA 0.728 54.684 54.000 -0.073 0.000 0.826 299 D CB -0.089 40.687 40.800 -0.040 0.000 0.973 299 D HN 0.087 nan 8.370 nan 0.000 0.460 300 I N 0.742 121.190 120.570 -0.202 0.000 2.151 300 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 300 I C 2.197 178.252 176.117 -0.104 0.000 1.080 300 I CA 1.353 62.496 61.300 -0.262 0.000 1.339 300 I CB -0.186 37.554 38.000 -0.433 0.000 1.039 300 I HN -0.049 nan 8.210 nan 0.000 0.409 301 K N 0.173 120.367 120.400 -0.344 0.000 2.026 301 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 301 K C 2.348 178.864 176.600 -0.139 0.000 1.048 301 K CA 1.392 57.421 56.287 -0.431 0.000 0.929 301 K CB -0.241 31.855 32.500 -0.673 0.000 0.713 301 K HN 0.167 nan 8.250 nan 0.000 0.439 302 R N 1.060 121.498 120.500 -0.104 0.000 2.091 302 R HA -0.196 4.144 4.340 -0.000 0.000 0.238 302 R C 2.392 178.711 176.300 0.031 0.000 1.136 302 R CA 1.731 57.811 56.100 -0.034 0.000 0.959 302 R CB -0.040 30.243 30.300 -0.029 0.000 0.856 302 R HN 0.235 nan 8.270 nan 0.000 0.437 303 Q N -0.428 119.420 119.800 0.080 0.000 2.230 303 Q HA -0.084 4.255 4.340 -0.000 0.000 0.202 303 Q C 1.807 177.918 176.000 0.186 0.000 0.963 303 Q CA 1.048 56.946 55.803 0.158 0.000 0.866 303 Q CB 0.364 29.274 28.738 0.286 0.000 0.931 303 Q HN 0.203 nan 8.270 nan 0.000 0.452 304 V N 0.098 120.140 119.914 0.214 0.000 2.453 304 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 304 V C 2.087 178.267 176.094 0.143 0.000 1.048 304 V CA 1.097 63.538 62.300 0.235 0.000 1.049 304 V CB -0.258 31.790 31.823 0.375 0.000 0.672 304 V HN 0.426 nan 8.190 nan 0.000 0.457 305 M N -0.733 118.927 119.600 0.101 0.000 2.160 305 M HA 0.071 4.551 4.480 -0.000 0.000 0.264 305 M C 1.115 177.444 176.300 0.048 0.000 1.073 305 M CA 0.890 56.230 55.300 0.067 0.000 1.142 305 M CB -1.026 31.596 32.600 0.038 0.000 1.358 305 M HN 0.162 nan 8.290 nan 0.000 0.422 306 E N 2.208 122.434 120.200 0.042 0.000 2.443 306 E HA 0.155 4.505 4.350 -0.000 0.000 0.310 306 E C -0.362 176.255 176.600 0.028 0.000 1.202 306 E CA 0.078 56.496 56.400 0.030 0.000 1.301 306 E CB -0.724 28.991 29.700 0.026 0.000 1.104 306 E HN 0.182 nan 8.360 nan 0.000 0.487 307 S N 0.000 115.715 115.700 0.026 0.000 2.498 307 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 307 S CA 0.000 58.211 58.200 0.019 0.000 1.107 307 S CB 0.000 63.213 63.200 0.022 0.000 0.593 307 S HN 0.000 nan 8.310 nan 0.000 0.517