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 1qft_1_B DATA FIRST_RESID 2 DATA SEQUENCE QPDWADEAAN GAHQDAWKSL KADVENVYYM VKATYKNDPV WGNDFTcVGV DATA SEQUENCE MANDVNEDEK SIQAEFLFMN NADTNMQFAT EKVTAVKMYG YNRENAFRYE DATA SEQUENCE TEDGQVFTDV IAYSDDNcDV IYVPGTDGNE EGYELWTTDY DNIPANcLNK DATA SEQUENCE FNEYAVGRET RDVFTSAcLE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 175.601 176.000 -0.665 0.000 1.003 2 Q CA 0.000 55.452 55.803 -0.585 0.000 1.022 2 Q CB 0.000 28.275 28.738 -0.771 0.000 1.108 3 P HA 0.059 nan 4.420 nan 0.000 0.269 3 P C -0.234 176.469 177.300 -0.996 0.000 1.215 3 P CA -0.092 62.310 63.100 -1.164 0.000 0.780 3 P CB 0.512 30.930 31.700 -2.138 0.000 0.898 4 D N 0.472 120.454 120.400 -0.697 0.000 2.182 4 D HA -0.124 4.516 4.640 0.000 0.000 0.201 4 D C 1.508 177.652 176.300 -0.260 0.000 0.986 4 D CA 1.053 54.834 54.000 -0.365 0.000 0.847 4 D CB -0.267 40.434 40.800 -0.166 0.000 0.942 4 D HN 0.634 nan 8.370 nan 0.000 0.467 5 W N 0.347 121.540 121.300 -0.178 0.000 3.077 5 W HA 0.379 5.039 4.660 0.000 0.000 0.245 5 W C 0.318 176.858 176.519 0.034 0.000 1.316 5 W CA -0.061 57.231 57.345 -0.088 0.000 1.537 5 W CB -0.434 28.861 29.460 -0.275 0.000 1.131 5 W HN -0.143 nan 8.180 nan 0.000 0.695 6 A N 2.418 125.144 122.820 -0.157 0.000 3.063 6 A HA 0.111 4.431 4.320 0.000 0.000 0.263 6 A C -0.729 176.985 177.584 0.218 0.000 1.736 6 A CA 0.278 52.386 52.037 0.118 0.000 1.408 6 A CB -0.798 17.942 19.000 -0.433 0.000 1.108 6 A HN 0.148 nan 8.150 nan 0.000 0.621 7 D N 0.787 121.355 120.400 0.280 0.000 2.389 7 D HA 0.123 4.763 4.640 0.000 0.000 0.256 7 D C 0.777 177.099 176.300 0.037 0.000 1.239 7 D CA -0.339 53.718 54.000 0.095 0.000 0.925 7 D CB 0.780 41.630 40.800 0.084 0.000 1.145 7 D HN 0.534 nan 8.370 nan 0.000 0.542 8 E N 2.570 122.575 120.200 -0.326 0.000 2.077 8 E HA -0.202 4.148 4.350 0.000 0.000 0.193 8 E C 1.658 178.172 176.600 -0.143 0.000 0.989 8 E CA 1.276 57.385 56.400 -0.485 0.000 0.800 8 E CB 0.248 29.320 29.700 -1.047 0.000 0.746 8 E HN 0.514 nan 8.360 nan 0.000 0.452 9 A N 0.856 123.609 122.820 -0.112 0.000 1.940 9 A HA -0.123 4.197 4.320 0.000 0.000 0.219 9 A C 2.277 179.873 177.584 0.018 0.000 1.176 9 A CA 1.903 53.917 52.037 -0.038 0.000 0.631 9 A CB -0.562 18.418 19.000 -0.033 0.000 0.814 9 A HN 0.416 nan 8.150 nan 0.000 0.446 10 A N -0.712 122.137 122.820 0.048 0.000 1.911 10 A HA 0.013 4.333 4.320 0.000 0.000 0.212 10 A C 1.638 179.316 177.584 0.158 0.000 1.189 10 A CA 1.299 53.395 52.037 0.097 0.000 0.639 10 A CB -0.130 18.934 19.000 0.106 0.000 0.839 10 A HN 0.493 nan 8.150 nan 0.000 0.449 11 N N -0.595 118.224 118.700 0.199 0.000 2.171 11 N HA 0.071 4.812 4.740 0.000 0.000 0.212 11 N C 1.563 177.243 175.510 0.284 0.000 1.184 11 N CA 0.754 53.981 53.050 0.295 0.000 0.888 11 N CB 0.013 38.731 38.487 0.384 0.000 1.038 11 N HN 0.368 nan 8.380 nan 0.000 0.517 12 G N 1.313 110.238 108.800 0.208 0.000 2.475 12 G HA2 -0.276 3.685 3.960 0.000 0.000 0.220 12 G HA3 -0.276 3.685 3.960 0.000 0.000 0.220 12 G C 1.577 176.547 174.900 0.117 0.000 1.125 12 G CA 1.166 46.389 45.100 0.204 0.000 0.755 12 G HN 0.378 nan 8.290 nan 0.000 0.565 13 A N -0.268 122.569 122.820 0.029 0.000 2.024 13 A HA -0.087 4.233 4.320 0.000 0.000 0.220 13 A C 1.891 179.327 177.584 -0.247 0.000 1.164 13 A CA 1.361 53.328 52.037 -0.118 0.000 0.643 13 A CB -0.441 18.441 19.000 -0.197 0.000 0.806 13 A HN 0.486 nan 8.150 nan 0.000 0.451 14 H N -1.038 118.029 119.070 -0.004 0.000 2.505 14 H HA 0.261 4.817 4.556 0.000 0.000 0.289 14 H C 0.057 175.330 175.328 -0.091 0.000 1.052 14 H CA 0.335 56.289 56.048 -0.157 0.000 1.156 14 H CB 0.303 29.894 29.762 -0.285 0.000 1.507 14 H HN 0.686 nan 8.280 nan 0.000 0.548 15 Q N 0.380 120.242 119.800 0.102 0.000 2.088 15 Q HA 0.055 4.395 4.340 0.000 0.000 0.270 15 Q C -0.545 175.517 176.000 0.103 0.000 0.854 15 Q CA -0.179 55.692 55.803 0.114 0.000 1.104 15 Q CB 1.377 30.262 28.738 0.247 0.000 1.251 15 Q HN 0.071 nan 8.270 nan 0.000 0.436 16 D N 0.601 121.042 120.400 0.068 0.000 2.435 16 D HA 0.215 4.855 4.640 0.000 0.000 0.230 16 D C 0.802 177.164 176.300 0.102 0.000 1.215 16 D CA -0.038 54.017 54.000 0.091 0.000 0.947 16 D CB 1.043 41.877 40.800 0.056 0.000 1.048 16 D HN 0.342 nan 8.370 nan 0.000 0.512 17 A N 4.953 127.859 122.820 0.145 0.000 1.902 17 A HA -0.168 4.153 4.320 0.000 0.000 0.217 17 A C 2.096 179.902 177.584 0.370 0.000 1.181 17 A CA 0.720 52.904 52.037 0.245 0.000 0.623 17 A CB -0.918 18.224 19.000 0.237 0.000 0.818 17 A HN 0.819 nan 8.150 nan 0.000 0.443 18 W N 0.851 122.199 121.300 0.081 0.000 2.381 18 W HA -0.172 4.488 4.660 0.000 0.000 0.301 18 W C 2.098 178.617 176.519 0.001 0.000 1.205 18 W CA 1.734 59.093 57.345 0.022 0.000 1.285 18 W CB -0.069 29.394 29.460 0.005 0.000 1.133 18 W HN 0.399 nan 8.180 nan 0.000 0.521 19 K N 0.460 120.796 120.400 -0.107 0.000 2.057 19 K HA -0.236 4.085 4.320 0.000 0.000 0.207 19 K C 2.358 178.823 176.600 -0.225 0.000 1.049 19 K CA 1.953 58.097 56.287 -0.239 0.000 0.931 19 K CB -0.571 31.876 32.500 -0.089 0.000 0.714 19 K HN 0.014 nan 8.250 nan 0.000 0.440 20 S N 0.414 116.061 115.700 -0.089 0.000 2.368 20 S HA -0.129 4.341 4.470 0.000 0.000 0.224 20 S C 1.922 176.399 174.600 -0.205 0.000 1.029 20 S CA 1.023 59.172 58.200 -0.084 0.000 0.988 20 S CB -0.280 62.948 63.200 0.045 0.000 0.838 20 S HN 0.365 nan 8.310 nan 0.000 0.462 21 L N 2.683 123.797 121.223 -0.181 0.000 2.056 21 L HA -0.007 4.333 4.340 0.000 0.000 0.207 21 L C 2.333 178.894 176.870 -0.514 0.000 1.078 21 L CA 2.317 56.884 54.840 -0.455 0.000 0.749 21 L CB -0.806 41.001 42.059 -0.420 0.000 0.901 21 L HN 0.507 nan 8.230 nan 0.000 0.433 22 K N -0.916 119.041 120.400 -0.738 0.000 2.362 22 K HA -0.009 4.311 4.320 0.000 0.000 0.200 22 K C 1.740 178.097 176.600 -0.405 0.000 1.046 22 K CA 1.116 56.953 56.287 -0.751 0.000 0.952 22 K CB -0.551 31.242 32.500 -1.178 0.000 0.753 22 K HN 0.260 nan 8.250 nan 0.000 0.466 23 A N 1.958 124.586 122.820 -0.320 0.000 2.121 23 A HA -0.136 4.184 4.320 0.000 0.000 0.218 23 A C 1.117 178.680 177.584 -0.034 0.000 1.154 23 A CA 1.509 53.473 52.037 -0.120 0.000 0.679 23 A CB -0.329 18.663 19.000 -0.013 0.000 0.795 23 A HN 0.305 nan 8.150 nan 0.000 0.458 24 D N -0.475 119.814 120.400 -0.185 0.000 2.348 24 D HA -0.024 4.616 4.640 0.000 0.000 0.216 24 D C 1.807 178.047 176.300 -0.100 0.000 0.970 24 D CA 0.632 54.557 54.000 -0.126 0.000 0.889 24 D CB -0.029 40.609 40.800 -0.270 0.000 0.912 24 D HN 0.271 nan 8.370 nan 0.000 0.524 25 V N 0.797 120.641 119.914 -0.116 0.000 2.323 25 V HA -0.162 3.958 4.120 0.000 0.000 0.244 25 V C 2.171 178.230 176.094 -0.059 0.000 1.041 25 V CA 1.480 63.726 62.300 -0.090 0.000 1.025 25 V CB -0.227 31.536 31.823 -0.099 0.000 0.656 25 V HN 0.183 nan 8.190 nan 0.000 0.451 26 E N -0.125 120.047 120.200 -0.047 0.000 2.250 26 E HA 0.048 4.398 4.350 0.000 0.000 0.192 26 E C 0.141 176.723 176.600 -0.029 0.000 0.986 26 E CA 0.349 56.729 56.400 -0.034 0.000 0.849 26 E CB 0.166 29.846 29.700 -0.033 0.000 0.797 26 E HN 0.631 nan 8.360 nan 0.000 0.482 27 N N -0.643 118.050 118.700 -0.012 0.000 2.284 27 N HA 0.229 4.969 4.740 0.000 0.000 0.289 27 N C -1.389 174.097 175.510 -0.039 0.000 1.179 27 N CA -0.526 52.498 53.050 -0.043 0.000 0.774 27 N CB 2.775 41.203 38.487 -0.098 0.000 1.548 27 N HN -0.230 nan 8.380 nan 0.000 0.473 28 V N 1.988 121.821 119.914 -0.136 0.000 2.614 28 V HA 0.186 4.306 4.120 0.000 0.000 0.291 28 V C -0.773 175.093 176.094 -0.381 0.000 1.049 28 V CA 0.176 62.321 62.300 -0.257 0.000 1.038 28 V CB -0.221 31.358 31.823 -0.406 0.000 0.980 28 V HN 0.539 nan 8.190 nan 0.000 0.481 29 Y N 3.787 123.873 120.300 -0.357 0.000 2.360 29 Y HA 0.589 5.139 4.550 0.000 0.000 0.337 29 Y C -0.349 175.427 175.900 -0.205 0.000 1.039 29 Y CA -0.594 57.416 58.100 -0.151 0.000 1.109 29 Y CB 1.572 40.078 38.460 0.076 0.000 1.201 29 Y HN 0.524 nan 8.280 nan 0.000 0.458 30 Y N 2.814 123.234 120.300 0.200 0.000 2.377 30 Y HA 0.373 4.923 4.550 0.000 0.000 0.339 30 Y C 0.135 175.985 175.900 -0.083 0.000 1.011 30 Y CA -1.176 56.867 58.100 -0.094 0.000 1.093 30 Y CB 1.528 39.641 38.460 -0.579 0.000 1.201 30 Y HN 0.455 nan 8.280 nan 0.000 0.455 31 M N 5.100 124.498 119.600 -0.338 0.000 2.264 31 M HA 0.160 4.641 4.480 0.000 0.000 0.340 31 M C 0.332 176.487 176.300 -0.241 0.000 1.420 31 M CA -0.237 54.589 55.300 -0.789 0.000 1.254 31 M CB 0.272 32.058 32.600 -1.357 0.000 1.575 31 M HN 0.838 nan 8.290 nan 0.000 0.452 32 V N 2.220 122.053 119.914 -0.135 0.000 2.788 32 V HA 0.183 4.304 4.120 0.000 0.000 0.251 32 V C 0.545 176.555 176.094 -0.140 0.000 1.068 32 V CA 0.959 63.233 62.300 -0.043 0.000 1.090 32 V CB -0.563 31.267 31.823 0.010 0.000 0.710 32 V HN 0.764 nan 8.190 nan 0.000 0.467 33 K N -0.227 120.016 120.400 -0.262 0.000 2.512 33 K HA 0.859 5.179 4.320 0.000 0.000 0.263 33 K C -1.025 175.462 176.600 -0.189 0.000 0.966 33 K CA -0.030 56.093 56.287 -0.272 0.000 0.851 33 K CB 2.623 34.833 32.500 -0.483 0.000 1.395 33 K HN 0.386 nan 8.250 nan 0.000 0.440 34 A N -0.251 122.580 122.820 0.018 0.000 2.599 34 A HA 0.536 4.856 4.320 0.000 0.000 0.290 34 A C -0.191 177.558 177.584 0.274 0.000 1.101 34 A CA -0.522 51.623 52.037 0.181 0.000 0.674 34 A CB 1.328 20.239 19.000 -0.148 0.000 1.277 34 A HN 0.736 nan 8.150 nan 0.000 0.419 35 T N -2.223 112.553 114.554 0.369 0.000 3.129 35 T HA 0.490 4.841 4.350 0.000 0.000 0.267 35 T C -0.115 174.762 174.700 0.295 0.000 1.018 35 T CA 0.664 62.952 62.100 0.314 0.000 0.903 35 T CB -0.942 68.135 68.868 0.350 0.000 1.067 35 T HN 1.368 nan 8.240 nan 0.000 0.549 36 Y N -1.293 119.103 120.300 0.160 0.000 2.581 36 Y HA 0.736 5.286 4.550 0.000 0.000 0.345 36 Y C 0.326 176.250 175.900 0.040 0.000 1.036 36 Y CA -1.707 56.464 58.100 0.119 0.000 1.042 36 Y CB 1.563 40.115 38.460 0.154 0.000 1.289 36 Y HN -0.262 nan 8.280 nan 0.000 0.471 37 K N 0.869 121.286 120.400 0.028 0.000 2.348 37 K HA 0.252 4.572 4.320 0.000 0.000 0.194 37 K C -0.735 175.871 176.600 0.010 0.000 1.052 37 K CA 0.318 56.511 56.287 -0.157 0.000 1.004 37 K CB 0.199 32.666 32.500 -0.056 0.000 0.873 37 K HN 0.756 nan 8.250 nan 0.000 0.523 38 N N 0.875 119.812 118.700 0.394 0.000 2.272 38 N HA 0.229 4.969 4.740 0.000 0.000 0.305 38 N C -1.728 174.131 175.510 0.582 0.000 1.103 38 N CA -0.782 52.556 53.050 0.479 0.000 0.791 38 N CB 1.971 40.609 38.487 0.251 0.000 1.356 38 N HN -0.078 nan 8.380 nan 0.000 0.486 39 D N 0.213 120.803 120.400 0.317 0.000 2.819 39 D HA 0.387 5.027 4.640 0.000 0.000 0.232 39 D C -2.168 173.975 176.300 -0.262 0.000 1.160 39 D CA -2.164 51.752 54.000 -0.142 0.000 0.858 39 D CB 2.246 42.662 40.800 -0.641 0.000 1.610 39 D HN 0.131 nan 8.370 nan 0.000 0.481 40 P HA -0.121 nan 4.420 nan 0.000 0.216 40 P C 1.051 178.182 177.300 -0.282 0.000 1.150 40 P CA 0.606 63.589 63.100 -0.194 0.000 0.837 40 P CB 0.320 32.003 31.700 -0.028 0.000 0.786 41 V N -1.903 117.650 119.914 -0.602 0.000 2.426 41 V HA -0.068 4.053 4.120 0.000 0.000 0.242 41 V C 1.885 177.592 176.094 -0.646 0.000 1.036 41 V CA 1.215 63.137 62.300 -0.631 0.000 1.044 41 V CB -1.121 30.155 31.823 -0.912 0.000 0.688 41 V HN 0.110 nan 8.190 nan 0.000 0.462 42 W N 0.785 121.633 121.300 -0.754 0.000 2.678 42 W HA 0.475 5.135 4.660 0.000 0.000 0.256 42 W C 1.343 177.756 176.519 -0.177 0.000 1.280 42 W CA 1.037 57.830 57.345 -0.921 0.000 1.345 42 W CB -1.212 27.645 29.460 -1.006 0.000 1.118 42 W HN 0.424 nan 8.180 nan 0.000 0.629 43 G N 0.613 109.455 108.800 0.071 0.000 2.660 43 G HA2 -0.230 3.731 3.960 0.000 0.000 0.247 43 G HA3 -0.230 3.731 3.960 0.000 0.000 0.247 43 G C -0.383 174.692 174.900 0.291 0.000 1.328 43 G CA -0.733 44.478 45.100 0.184 0.000 0.884 43 G HN 0.155 nan 8.290 nan 0.000 0.531 44 N N 1.134 119.965 118.700 0.218 0.000 2.529 44 N HA 0.394 5.134 4.740 0.000 0.000 0.278 44 N C -0.311 175.294 175.510 0.158 0.000 1.146 44 N CA 0.099 53.261 53.050 0.187 0.000 0.980 44 N CB 0.449 39.003 38.487 0.112 0.000 1.124 44 N HN 0.639 nan 8.380 nan 0.000 0.458 45 D N 1.317 121.751 120.400 0.056 0.000 2.708 45 D HA -0.198 4.443 4.640 0.000 0.000 0.236 45 D C -0.255 176.007 176.300 -0.064 0.000 1.146 45 D CA 0.807 54.761 54.000 -0.077 0.000 0.662 45 D CB -1.508 39.273 40.800 -0.032 0.000 1.059 45 D HN 0.400 nan 8.370 nan 0.000 0.428 46 F N 0.084 120.077 119.950 0.072 0.000 2.506 46 F HA 0.484 5.011 4.527 0.000 0.000 0.351 46 F C 1.108 176.913 175.800 0.009 0.000 1.136 46 F CA -0.201 57.861 58.000 0.103 0.000 1.298 46 F CB 0.590 39.709 39.000 0.198 0.000 1.145 46 F HN -0.024 nan 8.300 nan 0.000 0.593 47 T N -2.111 112.556 114.554 0.189 0.000 2.812 47 T HA 0.410 4.760 4.350 0.000 0.000 0.294 47 T C -0.481 174.260 174.700 0.068 0.000 1.159 47 T CA -0.622 61.491 62.100 0.022 0.000 1.008 47 T CB 0.848 69.663 68.868 -0.087 0.000 1.289 47 T HN 1.307 nan 8.240 nan 0.000 0.514 48 c N 0.441 119.016 118.600 -0.041 0.000 4.235 48 c HA -0.071 4.499 4.570 0.000 0.000 0.301 48 c C 0.641 174.902 174.090 0.285 0.000 1.409 48 c CA -0.305 56.022 56.329 -0.003 0.000 2.024 48 c CB -3.359 39.057 42.510 -0.156 0.000 1.286 48 c HN 0.842 nan 8.230 nan 0.000 0.746 49 V N 0.942 120.966 119.914 0.183 0.000 2.530 49 V HA 0.698 4.818 4.120 0.000 0.000 0.282 49 V C 1.015 177.182 176.094 0.121 0.000 1.048 49 V CA 1.186 63.475 62.300 -0.017 0.000 0.997 49 V CB 1.639 33.146 31.823 -0.527 0.000 0.987 49 V HN 0.826 nan 8.190 nan 0.000 0.477 50 G N 2.701 111.613 108.800 0.187 0.000 2.690 50 G HA2 0.653 4.613 3.960 0.000 0.000 0.293 50 G HA3 0.653 4.613 3.960 0.000 0.000 0.293 50 G C -1.825 173.163 174.900 0.147 0.000 1.399 50 G CA -0.561 44.608 45.100 0.114 0.000 0.890 50 G HN 0.719 nan 8.290 nan 0.000 0.485 51 V N 1.831 121.755 119.914 0.017 0.000 2.971 51 V HA 0.899 5.020 4.120 0.000 0.000 0.309 51 V C -0.769 175.183 176.094 -0.238 0.000 1.130 51 V CA -0.922 61.231 62.300 -0.244 0.000 0.964 51 V CB 1.996 33.562 31.823 -0.429 0.000 1.029 51 V HN 1.148 nan 8.190 nan 0.000 0.427 52 M N 5.207 124.640 119.600 -0.279 0.000 2.421 52 M HA 0.917 5.397 4.480 0.000 0.000 0.287 52 M C -0.789 175.395 176.300 -0.192 0.000 1.183 52 M CA -0.648 54.541 55.300 -0.185 0.000 0.916 52 M CB 2.011 34.536 32.600 -0.124 0.000 1.701 52 M HN 0.831 nan 8.290 nan 0.000 0.470 53 A N 2.188 124.915 122.820 -0.154 0.000 2.363 53 A HA 0.468 4.788 4.320 0.000 0.000 0.270 53 A C 0.084 177.626 177.584 -0.070 0.000 1.121 53 A CA -0.618 51.344 52.037 -0.124 0.000 0.800 53 A CB 0.124 19.052 19.000 -0.120 0.000 1.052 53 A HN 0.964 nan 8.150 nan 0.000 0.493 54 N N 0.520 119.196 118.700 -0.040 0.000 2.336 54 N HA 0.051 4.791 4.740 0.000 0.000 0.177 54 N C -0.309 175.197 175.510 -0.007 0.000 1.018 54 N CA 1.443 54.486 53.050 -0.012 0.000 0.878 54 N CB 0.052 38.549 38.487 0.017 0.000 0.997 54 N HN 0.926 nan 8.380 nan 0.000 0.433 55 D N -1.939 118.459 120.400 -0.003 0.000 2.615 55 D HA 0.446 5.086 4.640 0.000 0.000 0.267 55 D C -1.246 175.065 176.300 0.017 0.000 1.236 55 D CA -0.844 53.160 54.000 0.007 0.000 0.839 55 D CB 2.071 42.880 40.800 0.016 0.000 1.380 55 D HN -0.188 nan 8.370 nan 0.000 0.433 56 V N 0.352 120.289 119.914 0.038 0.000 2.760 56 V HA 0.605 4.725 4.120 0.000 0.000 0.309 56 V C -1.730 174.425 176.094 0.100 0.000 1.077 56 V CA -0.674 61.680 62.300 0.090 0.000 0.910 56 V CB 1.878 33.754 31.823 0.089 0.000 1.008 56 V HN 0.741 nan 8.190 nan 0.000 0.424 57 N N 4.162 122.932 118.700 0.118 0.000 2.696 57 N HA 0.259 4.999 4.740 0.000 0.000 0.246 57 N C 0.598 176.108 175.510 -0.000 0.000 1.057 57 N CA -0.178 52.894 53.050 0.036 0.000 0.867 57 N CB 1.847 40.320 38.487 -0.023 0.000 1.141 57 N HN 0.862 nan 8.380 nan 0.000 0.517 58 E N 2.293 122.539 120.200 0.076 0.000 2.085 58 E HA -0.157 4.193 4.350 0.000 0.000 0.194 58 E C 0.437 176.939 176.600 -0.164 0.000 0.994 58 E CA 1.752 58.201 56.400 0.082 0.000 0.801 58 E CB 0.245 30.040 29.700 0.159 0.000 0.743 58 E HN 0.504 nan 8.360 nan 0.000 0.453 59 D N 0.086 120.413 120.400 -0.121 0.000 2.144 59 D HA -0.125 4.516 4.640 0.000 0.000 0.199 59 D C 1.426 177.589 176.300 -0.228 0.000 0.984 59 D CA 0.972 54.884 54.000 -0.147 0.000 0.834 59 D CB -0.098 40.650 40.800 -0.087 0.000 0.955 59 D HN 0.220 nan 8.370 nan 0.000 0.465 60 E N 0.322 120.376 120.200 -0.244 0.000 2.489 60 E HA 0.023 4.374 4.350 0.000 0.000 0.193 60 E C 0.104 176.438 176.600 -0.443 0.000 1.057 60 E CA 0.005 56.248 56.400 -0.262 0.000 0.866 60 E CB 0.164 29.761 29.700 -0.172 0.000 0.916 60 E HN 0.310 nan 8.360 nan 0.000 0.500 61 K N 1.056 120.974 120.400 -0.804 0.000 3.148 61 K HA -0.150 4.170 4.320 0.000 0.000 0.267 61 K C -0.309 175.798 176.600 -0.822 0.000 0.996 61 K CA 0.714 56.027 56.287 -1.623 0.000 0.737 61 K CB -1.832 29.919 32.500 -1.250 0.000 1.308 61 K HN 0.275 nan 8.250 nan 0.000 0.470 62 S N -0.393 115.069 115.700 -0.397 0.000 2.627 62 S HA 0.887 5.357 4.470 0.000 0.000 0.283 62 S C -0.242 174.416 174.600 0.096 0.000 1.127 62 S CA -1.068 57.093 58.200 -0.066 0.000 0.863 62 S CB 2.505 65.648 63.200 -0.095 0.000 1.121 62 S HN 0.410 nan 8.310 nan 0.000 0.479 63 I N -1.905 118.692 120.570 0.045 0.000 2.969 63 I HA 0.589 4.760 4.170 0.000 0.000 0.307 63 I C -1.347 174.772 176.117 0.003 0.000 1.149 63 I CA -1.067 60.249 61.300 0.027 0.000 1.008 63 I CB 2.168 40.148 38.000 -0.032 0.000 1.232 63 I HN 0.427 nan 8.210 nan 0.000 0.435 64 Q N 3.054 122.863 119.800 0.014 0.000 2.303 64 Q HA 0.685 5.025 4.340 0.000 0.000 0.257 64 Q C -0.657 175.356 176.000 0.022 0.000 0.941 64 Q CA -0.403 55.425 55.803 0.042 0.000 0.931 64 Q CB 1.939 30.707 28.738 0.049 0.000 1.215 64 Q HN 0.840 nan 8.270 nan 0.000 0.437 65 A N 2.748 125.602 122.820 0.055 0.000 2.355 65 A HA 0.548 4.868 4.320 0.000 0.000 0.324 65 A C -0.647 176.947 177.584 0.016 0.000 1.117 65 A CA -0.645 51.351 52.037 -0.068 0.000 0.785 65 A CB 1.218 20.065 19.000 -0.256 0.000 1.254 65 A HN 0.703 nan 8.150 nan 0.000 0.453 66 E N 1.374 121.521 120.200 -0.089 0.000 2.151 66 E HA 0.580 4.931 4.350 0.000 0.000 0.275 66 E C -1.767 174.802 176.600 -0.051 0.000 0.936 66 E CA -0.298 56.163 56.400 0.102 0.000 0.777 66 E CB 0.621 30.391 29.700 0.116 0.000 1.108 66 E HN 0.429 nan 8.360 nan 0.000 0.401 67 F N 3.878 124.014 119.950 0.310 0.000 2.469 67 F HA 0.404 4.932 4.527 0.000 0.000 0.332 67 F C -0.474 175.559 175.800 0.387 0.000 1.103 67 F CA -0.893 57.303 58.000 0.325 0.000 0.979 67 F CB 1.026 40.267 39.000 0.401 0.000 1.137 67 F HN 0.346 nan 8.300 nan 0.000 0.463 68 L N 4.357 125.844 121.223 0.441 0.000 2.325 68 L HA 0.685 5.025 4.340 0.000 0.000 0.278 68 L C -0.589 176.495 176.870 0.357 0.000 1.023 68 L CA -0.784 54.266 54.840 0.349 0.000 0.811 68 L CB 1.289 43.482 42.059 0.223 0.000 1.249 68 L HN 0.553 nan 8.230 nan 0.000 0.431 69 F N 0.654 120.662 119.950 0.097 0.000 2.773 69 F HA 0.795 5.322 4.527 0.000 0.000 0.314 69 F C -1.427 174.414 175.800 0.068 0.000 1.160 69 F CA -1.274 56.726 58.000 0.000 0.000 0.920 69 F CB 1.396 40.288 39.000 -0.180 0.000 1.323 69 F HN 0.235 nan 8.300 nan 0.000 0.457 70 M N 2.387 122.100 119.600 0.188 0.000 2.518 70 M HA 0.481 4.962 4.480 0.000 0.000 0.300 70 M C -1.571 174.880 176.300 0.252 0.000 1.175 70 M CA -0.621 54.729 55.300 0.084 0.000 0.890 70 M CB 2.633 35.241 32.600 0.014 0.000 1.710 70 M HN 0.943 nan 8.290 nan 0.000 0.453 71 N N -0.038 118.772 118.700 0.184 0.000 3.039 71 N HA 0.319 5.059 4.740 0.000 0.000 0.257 71 N C -0.897 174.677 175.510 0.106 0.000 1.497 71 N CA -0.900 52.272 53.050 0.203 0.000 0.861 71 N CB 0.297 38.970 38.487 0.311 0.000 1.479 71 N HN 0.580 nan 8.380 nan 0.000 0.547 72 N N -0.895 117.860 118.700 0.092 0.000 2.573 72 N HA 0.035 4.775 4.740 0.000 0.000 0.187 72 N C 1.063 176.602 175.510 0.049 0.000 1.107 72 N CA 0.725 53.808 53.050 0.054 0.000 0.918 72 N CB -0.058 38.455 38.487 0.044 0.000 0.966 72 N HN 0.644 nan 8.380 nan 0.000 0.448 73 A N -0.086 122.773 122.820 0.066 0.000 2.121 73 A HA -0.031 4.289 4.320 0.000 0.000 0.218 73 A C 0.421 178.024 177.584 0.032 0.000 1.154 73 A CA 0.986 53.054 52.037 0.052 0.000 0.679 73 A CB 0.063 19.104 19.000 0.069 0.000 0.795 73 A HN 0.307 nan 8.150 nan 0.000 0.458 74 D N -4.774 115.639 120.400 0.022 0.000 2.683 74 D HA 0.295 4.935 4.640 0.000 0.000 0.246 74 D C 0.631 176.927 176.300 -0.006 0.000 1.238 74 D CA 0.329 54.333 54.000 0.005 0.000 0.759 74 D CB 0.777 41.576 40.800 -0.001 0.000 1.349 74 D HN -0.059 nan 8.370 nan 0.000 0.426 75 T N -1.198 113.349 114.554 -0.011 0.000 3.081 75 T HA 0.240 4.590 4.350 0.000 0.000 0.250 75 T C 0.558 175.240 174.700 -0.029 0.000 1.100 75 T CA -0.032 62.056 62.100 -0.021 0.000 1.038 75 T CB -0.142 68.714 68.868 -0.019 0.000 0.962 75 T HN 0.164 nan 8.240 nan 0.000 0.516 76 N N 1.297 119.980 118.700 -0.028 0.000 2.489 76 N HA 0.397 5.137 4.740 0.000 0.000 0.284 76 N C -0.052 175.426 175.510 -0.054 0.000 1.158 76 N CA -0.635 52.396 53.050 -0.032 0.000 0.965 76 N CB 0.884 39.361 38.487 -0.017 0.000 1.195 76 N HN 0.145 nan 8.380 nan 0.000 0.506 77 M N 1.385 120.955 119.600 -0.050 0.000 2.245 77 M HA 0.092 4.572 4.480 0.000 0.000 0.344 77 M C 0.399 176.633 176.300 -0.109 0.000 1.170 77 M CA 0.472 55.725 55.300 -0.078 0.000 1.135 77 M CB 0.040 32.628 32.600 -0.019 0.000 1.574 77 M HN 0.298 nan 8.290 nan 0.000 0.452 78 Q N 1.886 121.493 119.800 -0.323 0.000 2.306 78 Q HA 0.796 5.136 4.340 0.000 0.000 0.269 78 Q C -1.139 174.720 176.000 -0.236 0.000 1.053 78 Q CA -0.667 54.890 55.803 -0.411 0.000 0.879 78 Q CB 2.439 30.625 28.738 -0.919 0.000 1.344 78 Q HN 0.586 nan 8.270 nan 0.000 0.464 79 F N -1.598 118.273 119.950 -0.131 0.000 2.645 79 F HA 0.895 5.423 4.527 0.000 0.000 0.310 79 F C -1.868 174.174 175.800 0.403 0.000 1.102 79 F CA -1.122 56.994 58.000 0.194 0.000 0.952 79 F CB 1.172 40.252 39.000 0.132 0.000 1.326 79 F HN 0.563 nan 8.300 nan 0.000 0.456 80 A N 1.175 124.223 122.820 0.380 0.000 2.515 80 A HA 0.791 5.111 4.320 0.000 0.000 0.298 80 A C -1.361 176.478 177.584 0.425 0.000 1.059 80 A CA -0.799 51.375 52.037 0.227 0.000 0.698 80 A CB 1.605 20.779 19.000 0.291 0.000 1.289 80 A HN 0.867 nan 8.150 nan 0.000 0.404 81 T N 2.013 116.746 114.554 0.298 0.000 2.792 81 T HA 0.626 4.976 4.350 0.000 0.000 0.280 81 T C -0.695 174.178 174.700 0.288 0.000 0.990 81 T CA -0.254 62.053 62.100 0.345 0.000 0.960 81 T CB 0.956 69.987 68.868 0.271 0.000 0.939 81 T HN 0.663 nan 8.240 nan 0.000 0.439 82 E N 1.388 121.817 120.200 0.381 0.000 2.383 82 E HA 0.400 4.751 4.350 0.000 0.000 0.275 82 E C -0.859 175.904 176.600 0.271 0.000 0.918 82 E CA -1.074 55.505 56.400 0.298 0.000 0.764 82 E CB 2.637 32.522 29.700 0.309 0.000 1.252 82 E HN 0.344 nan 8.360 nan 0.000 0.449 83 K N 1.360 121.863 120.400 0.172 0.000 2.174 83 K HA 0.415 4.735 4.320 0.000 0.000 0.275 83 K C -1.153 175.495 176.600 0.080 0.000 1.015 83 K CA -0.373 55.975 56.287 0.102 0.000 0.933 83 K CB 0.887 33.421 32.500 0.056 0.000 1.025 83 K HN 0.238 nan 8.250 nan 0.000 0.463 84 V N 2.898 122.799 119.914 -0.022 0.000 2.531 84 V HA 0.348 4.468 4.120 0.000 0.000 0.301 84 V C -0.703 175.284 176.094 -0.178 0.000 1.034 84 V CA -0.859 61.323 62.300 -0.197 0.000 0.865 84 V CB 1.896 33.460 31.823 -0.432 0.000 0.995 84 V HN 0.863 nan 8.190 nan 0.000 0.424 85 T N 3.281 117.741 114.554 -0.158 0.000 2.861 85 T HA 0.690 5.040 4.350 0.000 0.000 0.287 85 T C 0.042 174.709 174.700 -0.055 0.000 1.003 85 T CA -0.337 61.699 62.100 -0.106 0.000 0.977 85 T CB 1.808 70.625 68.868 -0.084 0.000 0.996 85 T HN 0.978 nan 8.240 nan 0.000 0.448 86 A N 2.778 125.593 122.820 -0.008 0.000 2.409 86 A HA 0.668 4.988 4.320 0.000 0.000 0.267 86 A C 0.401 178.003 177.584 0.031 0.000 1.127 86 A CA -0.398 51.710 52.037 0.117 0.000 0.795 86 A CB -0.279 18.860 19.000 0.231 0.000 1.061 86 A HN 0.966 nan 8.150 nan 0.000 0.502 87 V N 0.165 120.111 119.914 0.053 0.000 3.167 87 V HA 0.701 4.821 4.120 0.000 0.000 0.310 87 V C -0.581 175.515 176.094 0.004 0.000 1.207 87 V CA -1.321 60.983 62.300 0.007 0.000 1.059 87 V CB 1.688 33.506 31.823 -0.009 0.000 1.079 87 V HN 0.781 nan 8.190 nan 0.000 0.446 88 K N 1.931 122.328 120.400 -0.005 0.000 2.156 88 K HA 0.745 5.065 4.320 0.000 0.000 0.271 88 K C -0.895 175.670 176.600 -0.058 0.000 0.995 88 K CA -0.605 55.683 56.287 0.001 0.000 0.890 88 K CB 1.434 33.965 32.500 0.053 0.000 1.073 88 K HN 0.564 nan 8.250 nan 0.000 0.454 89 M N 1.683 121.202 119.600 -0.135 0.000 2.593 89 M HA 0.241 4.721 4.480 0.000 0.000 0.290 89 M C -0.838 175.379 176.300 -0.139 0.000 1.244 89 M CA -0.698 54.432 55.300 -0.283 0.000 0.857 89 M CB 1.238 33.477 32.600 -0.602 0.000 1.738 89 M HN 0.606 nan 8.290 nan 0.000 0.461 90 Y N -0.193 120.140 120.300 0.055 0.000 4.079 90 Y HA -0.158 4.392 4.550 0.000 0.000 0.223 90 Y C 1.197 177.230 175.900 0.221 0.000 1.155 90 Y CA 1.566 59.731 58.100 0.110 0.000 1.805 90 Y CB -2.684 35.833 38.460 0.095 0.000 1.571 90 Y HN 1.087 nan 8.280 nan 0.000 0.654 91 G N -2.815 106.157 108.800 0.286 0.000 2.155 91 G HA2 -0.383 3.577 3.960 0.000 0.000 0.257 91 G HA3 -0.383 3.577 3.960 0.000 0.000 0.257 91 G C 0.060 175.118 174.900 0.265 0.000 0.983 91 G CA 0.032 45.265 45.100 0.221 0.000 0.676 91 G HN 0.455 nan 8.290 nan 0.000 0.528 92 Y N -0.057 120.300 120.300 0.094 0.000 2.550 92 Y HA 0.243 4.793 4.550 0.000 0.000 0.343 92 Y C 1.633 177.568 175.900 0.058 0.000 1.245 92 Y CA 0.410 58.562 58.100 0.087 0.000 1.462 92 Y CB 0.510 39.034 38.460 0.106 0.000 1.340 92 Y HN 0.198 nan 8.280 nan 0.000 0.604 93 N N 1.051 119.833 118.700 0.136 0.000 2.290 93 N HA -0.064 4.676 4.740 0.000 0.000 0.179 93 N C 0.051 175.628 175.510 0.112 0.000 1.016 93 N CA 0.598 53.700 53.050 0.085 0.000 0.871 93 N CB 0.246 38.749 38.487 0.026 0.000 0.987 93 N HN 0.600 nan 8.380 nan 0.000 0.431 94 R N 0.540 121.141 120.500 0.169 0.000 2.514 94 R HA 0.210 4.550 4.340 0.000 0.000 0.301 94 R C -0.993 175.430 176.300 0.206 0.000 0.962 94 R CA -0.607 55.590 56.100 0.162 0.000 0.882 94 R CB 0.808 31.198 30.300 0.149 0.000 1.143 94 R HN 0.025 nan 8.270 nan 0.000 0.452 95 E N 2.461 122.745 120.200 0.139 0.000 2.765 95 E HA -0.142 4.208 4.350 0.000 0.000 0.256 95 E C 0.074 176.745 176.600 0.118 0.000 0.935 95 E CA 0.871 57.340 56.400 0.114 0.000 0.954 95 E CB 0.281 30.041 29.700 0.101 0.000 0.908 95 E HN 0.620 nan 8.360 nan 0.000 0.500 96 N N 1.273 119.985 118.700 0.022 0.000 2.184 96 N HA 0.240 4.980 4.740 0.000 0.000 0.234 96 N C -0.711 174.717 175.510 -0.136 0.000 1.282 96 N CA -0.102 52.903 53.050 -0.074 0.000 0.877 96 N CB 0.785 39.066 38.487 -0.343 0.000 1.184 96 N HN 0.262 nan 8.380 nan 0.000 0.510 97 A N 0.074 122.853 122.820 -0.069 0.000 2.527 97 A HA 0.763 5.083 4.320 0.000 0.000 0.293 97 A C -1.806 175.856 177.584 0.130 0.000 1.117 97 A CA -0.526 51.460 52.037 -0.084 0.000 0.723 97 A CB 1.309 20.248 19.000 -0.102 0.000 1.313 97 A HN 0.025 nan 8.150 nan 0.000 0.411 98 F N 0.763 120.670 119.950 -0.071 0.000 2.444 98 F HA 0.571 5.098 4.527 0.000 0.000 0.342 98 F C 0.651 176.375 175.800 -0.127 0.000 1.121 98 F CA -0.805 57.089 58.000 -0.176 0.000 0.997 98 F CB 1.672 40.453 39.000 -0.364 0.000 1.130 98 F HN 0.641 nan 8.300 nan 0.000 0.454 99 R N 4.213 124.742 120.500 0.048 0.000 2.246 99 R HA 0.390 4.730 4.340 0.000 0.000 0.332 99 R C -1.676 174.648 176.300 0.039 0.000 0.974 99 R CA -0.393 55.751 56.100 0.074 0.000 0.837 99 R CB 0.447 30.764 30.300 0.028 0.000 1.145 99 R HN 0.502 nan 8.270 nan 0.000 0.467 100 Y N 2.024 122.394 120.300 0.117 0.000 2.308 100 Y HA 0.241 4.791 4.550 0.000 0.000 0.329 100 Y C 0.202 176.150 175.900 0.080 0.000 1.111 100 Y CA -0.416 57.753 58.100 0.114 0.000 1.179 100 Y CB 1.448 39.993 38.460 0.142 0.000 1.201 100 Y HN 0.541 nan 8.280 nan 0.000 0.483 101 E N 1.878 122.204 120.200 0.210 0.000 2.244 101 E HA 0.307 4.657 4.350 0.000 0.000 0.260 101 E C -0.876 175.786 176.600 0.102 0.000 0.884 101 E CA -0.730 55.732 56.400 0.103 0.000 0.777 101 E CB 1.020 30.747 29.700 0.045 0.000 1.197 101 E HN 0.719 nan 8.360 nan 0.000 0.416 102 T N 0.988 115.584 114.554 0.070 0.000 2.828 102 T HA 0.166 4.516 4.350 0.000 0.000 0.290 102 T C 0.969 175.688 174.700 0.033 0.000 1.019 102 T CA -0.360 61.773 62.100 0.054 0.000 1.031 102 T CB 1.159 70.045 68.868 0.030 0.000 1.001 102 T HN 0.562 nan 8.240 nan 0.000 0.531 103 E N 0.578 120.799 120.200 0.036 0.000 2.204 103 E HA -0.117 4.233 4.350 0.000 0.000 0.195 103 E C 0.968 177.573 176.600 0.008 0.000 0.990 103 E CA 1.231 57.648 56.400 0.028 0.000 0.821 103 E CB -0.113 29.609 29.700 0.036 0.000 0.750 103 E HN 0.855 nan 8.360 nan 0.000 0.477 104 D N -0.823 119.575 120.400 -0.003 0.000 2.325 104 D HA 0.082 4.722 4.640 0.000 0.000 0.225 104 D C 1.132 177.412 176.300 -0.033 0.000 1.096 104 D CA 0.465 54.456 54.000 -0.016 0.000 0.844 104 D CB 0.417 41.206 40.800 -0.018 0.000 0.925 104 D HN 0.175 nan 8.370 nan 0.000 0.513 105 G N -0.171 108.608 108.800 -0.035 0.000 2.175 105 G HA2 -0.288 3.672 3.960 0.000 0.000 0.244 105 G HA3 -0.288 3.672 3.960 0.000 0.000 0.244 105 G C 0.042 174.879 174.900 -0.105 0.000 0.982 105 G CA -0.146 44.919 45.100 -0.058 0.000 0.641 105 G HN 0.458 nan 8.290 nan 0.000 0.527 106 Q N -0.159 119.564 119.800 -0.129 0.000 2.327 106 Q HA 0.577 4.917 4.340 0.000 0.000 0.254 106 Q C -0.186 175.614 176.000 -0.334 0.000 0.952 106 Q CA -0.187 55.451 55.803 -0.275 0.000 0.884 106 Q CB 2.238 30.807 28.738 -0.283 0.000 1.224 106 Q HN 0.202 nan 8.270 nan 0.000 0.422 107 V N 3.124 122.720 119.914 -0.529 0.000 2.656 107 V HA 0.510 4.630 4.120 0.000 0.000 0.307 107 V C -1.095 174.598 176.094 -0.670 0.000 1.051 107 V CA -0.691 61.377 62.300 -0.386 0.000 0.893 107 V CB 1.128 32.826 31.823 -0.207 0.000 0.999 107 V HN 0.563 nan 8.190 nan 0.000 0.426 108 F N 1.289 121.226 119.950 -0.020 0.000 2.539 108 F HA 0.598 5.125 4.527 0.000 0.000 0.318 108 F C 0.306 176.172 175.800 0.110 0.000 1.135 108 F CA -0.532 57.446 58.000 -0.038 0.000 0.915 108 F CB 2.416 41.298 39.000 -0.196 0.000 1.176 108 F HN 0.292 nan 8.300 nan 0.000 0.440 109 T N 2.706 117.374 114.554 0.190 0.000 2.809 109 T HA 0.388 4.738 4.350 0.000 0.000 0.296 109 T C -1.001 173.767 174.700 0.113 0.000 1.015 109 T CA -0.731 61.459 62.100 0.151 0.000 0.954 109 T CB 0.702 69.589 68.868 0.032 0.000 0.950 109 T HN 0.308 nan 8.240 nan 0.000 0.450 110 D N 1.690 122.202 120.400 0.187 0.000 2.299 110 D HA 0.606 5.246 4.640 0.000 0.000 0.243 110 D C -0.400 175.912 176.300 0.019 0.000 0.982 110 D CA -0.486 53.578 54.000 0.107 0.000 0.924 110 D CB 2.049 42.983 40.800 0.223 0.000 1.238 110 D HN 0.196 nan 8.370 nan 0.000 0.484 111 V N 1.673 121.613 119.914 0.045 0.000 2.555 111 V HA 0.286 4.406 4.120 0.000 0.000 0.302 111 V C 0.019 176.090 176.094 -0.039 0.000 1.038 111 V CA -0.942 61.376 62.300 0.031 0.000 0.887 111 V CB 1.862 33.855 31.823 0.285 0.000 0.991 111 V HN 0.376 nan 8.190 nan 0.000 0.434 112 I N 3.736 124.194 120.570 -0.187 0.000 2.421 112 I HA 0.208 4.378 4.170 0.000 0.000 0.291 112 I C 1.236 177.237 176.117 -0.194 0.000 1.089 112 I CA 0.378 61.550 61.300 -0.213 0.000 1.354 112 I CB 0.365 38.220 38.000 -0.241 0.000 1.413 112 I HN 0.813 nan 8.210 nan 0.000 0.513 113 A N 6.705 129.315 122.820 -0.350 0.000 1.903 113 A HA -0.014 4.306 4.320 0.000 0.000 0.213 113 A C 0.504 178.010 177.584 -0.130 0.000 1.185 113 A CA 0.852 52.362 52.037 -0.879 0.000 0.628 113 A CB 0.126 18.366 19.000 -1.266 0.000 0.830 113 A HN 0.645 nan 8.150 nan 0.000 0.446 114 Y N -1.069 119.204 120.300 -0.046 0.000 2.436 114 Y HA 0.507 5.058 4.550 0.000 0.000 0.327 114 Y C -0.877 175.080 175.900 0.095 0.000 1.138 114 Y CA -0.393 57.750 58.100 0.073 0.000 1.042 114 Y CB 1.323 39.818 38.460 0.059 0.000 1.302 114 Y HN 0.069 nan 8.280 nan 0.000 0.439 115 S N 4.718 120.161 115.700 -0.428 0.000 2.540 115 S HA 0.632 5.102 4.470 0.000 0.000 0.275 115 S C -1.912 172.540 174.600 -0.245 0.000 1.123 115 S CA -0.589 57.496 58.200 -0.191 0.000 0.907 115 S CB 1.502 64.664 63.200 -0.063 0.000 1.081 115 S HN 0.759 nan 8.310 nan 0.000 0.476 116 D N 1.244 121.624 120.400 -0.034 0.000 2.654 116 D HA 0.375 5.015 4.640 0.000 0.000 0.255 116 D C 0.250 176.601 176.300 0.085 0.000 1.101 116 D CA -0.450 53.583 54.000 0.056 0.000 1.116 116 D CB 1.283 42.171 40.800 0.147 0.000 1.348 116 D HN 0.526 nan 8.370 nan 0.000 0.609 117 D N -0.151 120.296 120.400 0.078 0.000 2.182 117 D HA -0.142 4.498 4.640 0.000 0.000 0.201 117 D C 1.027 177.407 176.300 0.133 0.000 0.986 117 D CA 1.192 55.239 54.000 0.077 0.000 0.847 117 D CB -0.014 40.812 40.800 0.044 0.000 0.942 117 D HN 0.353 nan 8.370 nan 0.000 0.467 118 N N -0.412 118.366 118.700 0.130 0.000 2.238 118 N HA 0.055 4.795 4.740 0.000 0.000 0.235 118 N C -0.522 175.092 175.510 0.173 0.000 1.209 118 N CA -0.449 52.657 53.050 0.092 0.000 0.879 118 N CB -0.544 37.935 38.487 -0.013 0.000 1.136 118 N HN 0.208 nan 8.380 nan 0.000 0.517 119 c N -1.746 117.042 118.600 0.313 0.000 3.284 119 c HA 0.742 5.312 4.570 0.000 0.000 0.338 119 c C -1.981 172.311 174.090 0.336 0.000 1.237 119 c CA -1.104 55.443 56.329 0.363 0.000 1.276 119 c CB 1.748 44.405 42.510 0.245 0.000 1.601 119 c HN 0.232 nan 8.230 nan 0.000 0.494 120 D N 1.056 121.681 120.400 0.374 0.000 2.819 120 D HA 0.541 5.181 4.640 0.000 0.000 0.232 120 D C -1.167 175.360 176.300 0.380 0.000 1.160 120 D CA -0.201 53.970 54.000 0.284 0.000 0.858 120 D CB 2.503 43.395 40.800 0.153 0.000 1.610 120 D HN 0.523 nan 8.370 nan 0.000 0.481 121 V N 2.718 122.843 119.914 0.351 0.000 2.334 121 V HA 0.404 4.525 4.120 0.000 0.000 0.281 121 V C 0.197 176.508 176.094 0.361 0.000 1.016 121 V CA -0.530 62.035 62.300 0.440 0.000 0.832 121 V CB 1.058 33.144 31.823 0.439 0.000 0.999 121 V HN 0.398 nan 8.190 nan 0.000 0.439 122 I N 4.884 125.731 120.570 0.462 0.000 2.441 122 I HA 0.414 4.584 4.170 0.000 0.000 0.295 122 I C -0.995 175.348 176.117 0.377 0.000 0.994 122 I CA -0.905 60.586 61.300 0.318 0.000 1.144 122 I CB 1.931 40.115 38.000 0.307 0.000 1.314 122 I HN 0.544 nan 8.210 nan 0.000 0.445 123 Y N 6.532 126.860 120.300 0.047 0.000 2.330 123 Y HA 0.504 5.054 4.550 0.000 0.000 0.336 123 Y C -0.686 175.192 175.900 -0.036 0.000 1.036 123 Y CA -0.835 57.165 58.100 -0.166 0.000 1.125 123 Y CB 1.318 39.791 38.460 0.022 0.000 1.194 123 Y HN 0.219 nan 8.280 nan 0.000 0.469 124 V N 10.051 129.578 119.914 -0.645 0.000 2.311 124 V HA 0.239 4.359 4.120 0.000 0.000 0.275 124 V C -1.947 173.564 176.094 -0.973 0.000 1.022 124 V CA -1.571 60.390 62.300 -0.565 0.000 0.830 124 V CB 1.304 32.883 31.823 -0.407 0.000 1.012 124 V HN 0.742 nan 8.190 nan 0.000 0.452 125 P HA 0.011 nan 4.420 nan 0.000 0.222 125 P C 1.198 178.331 177.300 -0.278 0.000 1.147 125 P CA 1.454 64.226 63.100 -0.548 0.000 0.790 125 P CB 0.176 31.786 31.700 -0.150 0.000 0.780 126 G N -0.860 107.786 108.800 -0.257 0.000 2.160 126 G HA2 -0.237 3.723 3.960 0.000 0.000 0.244 126 G HA3 -0.237 3.723 3.960 0.000 0.000 0.244 126 G C 0.624 175.469 174.900 -0.092 0.000 1.022 126 G CA 0.672 45.672 45.100 -0.166 0.000 0.741 126 G HN 0.449 nan 8.290 nan 0.000 0.508 127 T N -3.781 110.725 114.554 -0.081 0.000 3.085 127 T HA 0.366 4.717 4.350 0.000 0.000 0.264 127 T C 0.471 175.131 174.700 -0.066 0.000 1.019 127 T CA 0.541 62.608 62.100 -0.055 0.000 0.910 127 T CB 0.591 69.437 68.868 -0.036 0.000 1.059 127 T HN 0.070 nan 8.240 nan 0.000 0.542 128 D N 1.883 122.244 120.400 -0.066 0.000 2.738 128 D HA 0.337 4.977 4.640 0.000 0.000 0.246 128 D C 1.317 177.565 176.300 -0.087 0.000 1.270 128 D CA 0.010 53.947 54.000 -0.106 0.000 0.833 128 D CB 0.141 40.882 40.800 -0.097 0.000 1.040 128 D HN 0.578 nan 8.370 nan 0.000 0.487 129 G N 2.331 111.093 108.800 -0.063 0.000 2.221 129 G HA2 -0.288 3.672 3.960 0.000 0.000 0.265 129 G HA3 -0.288 3.672 3.960 0.000 0.000 0.265 129 G C 0.222 175.118 174.900 -0.007 0.000 1.041 129 G CA 0.351 45.426 45.100 -0.042 0.000 0.807 129 G HN 0.487 nan 8.290 nan 0.000 0.502 130 N N -1.220 117.466 118.700 -0.023 0.000 2.902 130 N HA 0.536 5.276 4.740 0.000 0.000 0.268 130 N C -0.701 174.744 175.510 -0.109 0.000 1.450 130 N CA -1.102 51.913 53.050 -0.059 0.000 0.819 130 N CB 0.792 39.230 38.487 -0.082 0.000 1.540 130 N HN 0.248 nan 8.380 nan 0.000 0.545 131 E N -0.314 119.786 120.200 -0.168 0.000 2.301 131 E HA 0.124 4.474 4.350 0.000 0.000 0.275 131 E C -0.587 175.829 176.600 -0.307 0.000 1.030 131 E CA -0.487 55.814 56.400 -0.165 0.000 0.852 131 E CB 1.462 31.132 29.700 -0.050 0.000 1.060 131 E HN 0.509 nan 8.360 nan 0.000 0.401 132 E N 1.360 121.458 120.200 -0.169 0.000 2.354 132 E HA 0.402 4.752 4.350 0.000 0.000 0.269 132 E C -0.188 176.353 176.600 -0.098 0.000 1.036 132 E CA -0.163 56.125 56.400 -0.187 0.000 0.876 132 E CB 0.752 30.421 29.700 -0.050 0.000 1.009 132 E HN 0.643 nan 8.360 nan 0.000 0.416 133 G N 2.179 110.899 108.800 -0.132 0.000 2.323 133 G HA2 0.185 4.146 3.960 0.000 0.000 0.291 133 G HA3 0.185 4.146 3.960 0.000 0.000 0.291 133 G C -2.060 172.919 174.900 0.132 0.000 1.278 133 G CA -0.818 44.393 45.100 0.185 0.000 0.860 133 G HN 0.442 nan 8.290 nan 0.000 0.504 134 Y N 0.282 120.877 120.300 0.491 0.000 2.536 134 Y HA 0.675 5.225 4.550 0.000 0.000 0.347 134 Y C 0.241 176.568 175.900 0.712 0.000 1.000 134 Y CA -0.604 57.827 58.100 0.553 0.000 1.051 134 Y CB 2.530 41.221 38.460 0.384 0.000 1.259 134 Y HN 0.533 nan 8.280 nan 0.000 0.468 135 E N 1.791 122.494 120.200 0.839 0.000 2.288 135 E HA 0.558 4.908 4.350 0.000 0.000 0.268 135 E C -1.884 175.011 176.600 0.492 0.000 0.885 135 E CA -1.153 55.610 56.400 0.604 0.000 0.767 135 E CB 2.919 32.994 29.700 0.625 0.000 1.220 135 E HN 0.306 nan 8.360 nan 0.000 0.427 136 L N 2.647 123.883 121.223 0.022 0.000 2.342 136 L HA 0.506 4.846 4.340 0.000 0.000 0.276 136 L C -2.067 174.806 176.870 0.005 0.000 0.997 136 L CA -0.323 54.488 54.840 -0.048 0.000 0.838 136 L CB 0.470 42.152 42.059 -0.627 0.000 1.224 136 L HN 0.508 nan 8.230 nan 0.000 0.416 137 W N 3.728 125.128 121.300 0.166 0.000 2.606 137 W HA 0.809 5.470 4.660 0.000 0.000 0.332 137 W C 0.183 176.869 176.519 0.278 0.000 1.052 137 W CA -0.431 57.062 57.345 0.246 0.000 1.223 137 W CB 2.212 31.864 29.460 0.320 0.000 1.383 137 W HN 0.581 nan 8.180 nan 0.000 0.524 138 T N -0.502 114.328 114.554 0.459 0.000 2.840 138 T HA 0.216 4.566 4.350 0.000 0.000 0.317 138 T C 0.808 175.501 174.700 -0.011 0.000 1.401 138 T CA -0.013 62.210 62.100 0.206 0.000 1.028 138 T CB 1.030 69.978 68.868 0.133 0.000 1.317 138 T HN 0.518 nan 8.240 nan 0.000 0.495 139 T N -0.479 113.886 114.554 -0.314 0.000 3.055 139 T HA 0.168 4.518 4.350 0.000 0.000 0.265 139 T C 0.380 175.064 174.700 -0.028 0.000 1.111 139 T CA 0.674 62.593 62.100 -0.302 0.000 1.118 139 T CB -0.058 68.538 68.868 -0.453 0.000 0.909 139 T HN 0.441 nan 8.240 nan 0.000 0.501 140 D N 0.969 121.332 120.400 -0.061 0.000 2.446 140 D HA 0.263 4.904 4.640 0.000 0.000 0.251 140 D C 0.500 176.705 176.300 -0.158 0.000 1.137 140 D CA -1.209 52.683 54.000 -0.179 0.000 0.890 140 D CB 0.671 41.366 40.800 -0.175 0.000 1.071 140 D HN 0.395 nan 8.370 nan 0.000 0.528 141 Y N 0.861 121.082 120.300 -0.131 0.000 2.497 141 Y HA 0.124 4.674 4.550 0.000 0.000 0.292 141 Y C 1.152 177.018 175.900 -0.058 0.000 1.137 141 Y CA 0.431 58.460 58.100 -0.117 0.000 1.285 141 Y CB -0.126 38.191 38.460 -0.238 0.000 0.991 141 Y HN 0.150 nan 8.280 nan 0.000 0.556 142 D N 0.309 120.538 120.400 -0.286 0.000 2.305 142 D HA -0.001 4.639 4.640 0.000 0.000 0.206 142 D C -0.337 175.911 176.300 -0.086 0.000 0.974 142 D CA 0.609 54.530 54.000 -0.132 0.000 0.871 142 D CB -0.106 40.559 40.800 -0.225 0.000 0.947 142 D HN 0.484 nan 8.370 nan 0.000 0.516 143 N N 0.211 118.848 118.700 -0.105 0.000 2.762 143 N HA 0.264 5.004 4.740 0.000 0.000 0.252 143 N C -0.694 174.794 175.510 -0.037 0.000 1.269 143 N CA -0.252 52.761 53.050 -0.061 0.000 0.799 143 N CB 1.668 40.114 38.487 -0.068 0.000 1.173 143 N HN -0.066 nan 8.380 nan 0.000 0.516 144 I N 1.698 122.259 120.570 -0.015 0.000 2.662 144 I HA 0.089 4.260 4.170 0.000 0.000 0.285 144 I C -1.717 174.404 176.117 0.008 0.000 1.161 144 I CA -1.336 59.966 61.300 0.002 0.000 1.415 144 I CB 0.098 38.096 38.000 -0.002 0.000 1.385 144 I HN 0.136 nan 8.210 nan 0.000 0.552 145 P HA -0.023 nan 4.420 nan 0.000 0.264 145 P C 0.407 177.725 177.300 0.030 0.000 1.193 145 P CA 0.068 63.189 63.100 0.035 0.000 0.763 145 P CB 0.934 32.675 31.700 0.069 0.000 0.810 146 A N 3.869 126.699 122.820 0.017 0.000 1.902 146 A HA -0.242 4.078 4.320 0.000 0.000 0.217 146 A C 1.864 179.435 177.584 -0.022 0.000 1.181 146 A CA 1.958 53.993 52.037 -0.002 0.000 0.623 146 A CB -1.259 17.737 19.000 -0.006 0.000 0.818 146 A HN 0.645 nan 8.150 nan 0.000 0.443 147 N N -0.838 117.860 118.700 -0.003 0.000 2.120 147 N HA -0.163 4.577 4.740 0.000 0.000 0.188 147 N C 1.709 177.126 175.510 -0.156 0.000 1.024 147 N CA 1.411 54.421 53.050 -0.067 0.000 0.852 147 N CB -0.336 38.174 38.487 0.038 0.000 1.003 147 N HN 0.511 nan 8.380 nan 0.000 0.424 148 c N 0.454 119.081 118.600 0.045 0.000 2.429 148 c HA -0.029 4.541 4.570 0.000 0.000 0.277 148 c C 2.644 176.739 174.090 0.008 0.000 1.262 148 c CA 0.123 56.508 56.329 0.093 0.000 1.733 148 c CB -1.022 41.624 42.510 0.226 0.000 2.010 148 c HN 0.456 nan 8.230 nan 0.000 0.483 149 L N 1.856 123.085 121.223 0.010 0.000 2.042 149 L HA -0.143 4.197 4.340 0.000 0.000 0.210 149 L C 1.940 178.811 176.870 0.001 0.000 1.076 149 L CA 1.925 56.782 54.840 0.027 0.000 0.749 149 L CB -1.133 40.931 42.059 0.009 0.000 0.893 149 L HN 0.408 nan 8.230 nan 0.000 0.432 150 N N -1.102 117.538 118.700 -0.101 0.000 2.084 150 N HA -0.186 4.555 4.740 0.000 0.000 0.190 150 N C 1.659 176.986 175.510 -0.304 0.000 1.030 150 N CA 1.092 54.041 53.050 -0.169 0.000 0.849 150 N CB -0.066 38.311 38.487 -0.183 0.000 1.012 150 N HN 0.250 nan 8.380 nan 0.000 0.423 151 K N 0.818 120.937 120.400 -0.468 0.000 2.057 151 K HA -0.136 4.184 4.320 0.000 0.000 0.207 151 K C 1.879 178.056 176.600 -0.705 0.000 1.049 151 K CA 0.862 56.663 56.287 -0.810 0.000 0.931 151 K CB -0.672 31.195 32.500 -1.055 0.000 0.714 151 K HN 0.212 nan 8.250 nan 0.000 0.440 152 F N 3.150 122.861 119.950 -0.397 0.000 2.095 152 F HA -0.228 4.299 4.527 0.000 0.000 0.298 152 F C 1.816 177.484 175.800 -0.220 0.000 1.104 152 F CA 1.538 59.412 58.000 -0.211 0.000 1.232 152 F CB -0.293 38.684 39.000 -0.038 0.000 0.987 152 F HN 0.048 nan 8.300 nan 0.000 0.475 153 N N 0.640 119.262 118.700 -0.129 0.000 2.166 153 N HA -0.214 4.526 4.740 0.000 0.000 0.186 153 N C 1.928 177.276 175.510 -0.271 0.000 1.019 153 N CA 1.505 54.442 53.050 -0.188 0.000 0.856 153 N CB -0.649 37.816 38.487 -0.037 0.000 0.993 153 N HN 0.598 nan 8.380 nan 0.000 0.426 154 E N -0.117 119.892 120.200 -0.319 0.000 2.051 154 E HA -0.187 4.164 4.350 0.000 0.000 0.192 154 E C 1.188 177.685 176.600 -0.172 0.000 0.991 154 E CA 1.024 57.265 56.400 -0.264 0.000 0.799 154 E CB -0.080 29.402 29.700 -0.364 0.000 0.748 154 E HN 0.311 nan 8.360 nan 0.000 0.449 155 Y N -0.207 119.875 120.300 -0.363 0.000 2.421 155 Y HA 0.071 4.621 4.550 0.000 0.000 0.292 155 Y C 2.078 177.581 175.900 -0.662 0.000 1.136 155 Y CA 0.669 58.454 58.100 -0.524 0.000 1.255 155 Y CB -0.664 37.290 38.460 -0.843 0.000 0.991 155 Y HN 0.144 nan 8.280 nan 0.000 0.552 156 A N -0.370 122.140 122.820 -0.516 0.000 2.251 156 A HA 0.227 4.547 4.320 0.000 0.000 0.209 156 A C 0.800 178.290 177.584 -0.156 0.000 1.187 156 A CA -0.093 51.711 52.037 -0.389 0.000 0.823 156 A CB -0.699 17.896 19.000 -0.676 0.000 0.846 156 A HN 0.018 nan 8.150 nan 0.000 0.486 157 V N 0.204 120.050 119.914 -0.112 0.000 2.599 157 V HA 0.386 4.506 4.120 0.000 0.000 0.300 157 V C 1.612 177.706 176.094 0.001 0.000 1.034 157 V CA 1.549 63.821 62.300 -0.046 0.000 1.115 157 V CB 0.410 32.213 31.823 -0.033 0.000 0.934 157 V HN 1.075 nan 8.190 nan 0.000 0.485 158 G N 4.624 113.432 108.800 0.013 0.000 2.194 158 G HA2 -0.195 3.765 3.960 0.000 0.000 0.236 158 G HA3 -0.195 3.765 3.960 0.000 0.000 0.236 158 G C 0.211 175.144 174.900 0.055 0.000 0.987 158 G CA 0.139 45.261 45.100 0.036 0.000 0.635 158 G HN 0.630 nan 8.290 nan 0.000 0.520 159 R N -0.013 120.520 120.500 0.055 0.000 2.919 159 R HA 0.656 4.996 4.340 0.000 0.000 0.260 159 R C -0.700 175.639 176.300 0.064 0.000 1.067 159 R CA -0.824 55.327 56.100 0.085 0.000 1.003 159 R CB 1.521 31.902 30.300 0.134 0.000 1.192 159 R HN 0.219 nan 8.270 nan 0.000 0.488 160 E N 0.978 121.228 120.200 0.084 0.000 2.109 160 E HA 0.183 4.533 4.350 0.000 0.000 0.278 160 E C -1.027 175.630 176.600 0.095 0.000 0.954 160 E CA -0.365 56.077 56.400 0.071 0.000 0.779 160 E CB 1.274 31.009 29.700 0.059 0.000 1.093 160 E HN 0.365 nan 8.360 nan 0.000 0.401 161 T N 4.654 119.269 114.554 0.102 0.000 2.909 161 T HA 0.405 4.756 4.350 0.000 0.000 0.289 161 T C -0.195 174.562 174.700 0.096 0.000 1.005 161 T CA -0.515 61.686 62.100 0.169 0.000 1.084 161 T CB 0.667 69.682 68.868 0.246 0.000 0.975 161 T HN 0.563 nan 8.240 nan 0.000 0.509 162 R N 0.814 121.356 120.500 0.069 0.000 2.774 162 R HA 0.572 4.913 4.340 0.000 0.000 0.272 162 R C -1.793 174.476 176.300 -0.053 0.000 1.000 162 R CA -1.017 55.072 56.100 -0.017 0.000 0.906 162 R CB 1.217 31.470 30.300 -0.080 0.000 1.227 162 R HN 0.295 nan 8.270 nan 0.000 0.468 163 D N 1.242 121.596 120.400 -0.077 0.000 2.302 163 D HA 0.217 4.857 4.640 0.000 0.000 0.248 163 D C 0.494 176.708 176.300 -0.143 0.000 1.094 163 D CA -0.373 53.569 54.000 -0.097 0.000 0.897 163 D CB 2.262 43.014 40.800 -0.081 0.000 1.200 163 D HN 0.338 nan 8.370 nan 0.000 0.429 164 V N 1.283 121.114 119.914 -0.139 0.000 2.939 164 V HA 0.133 4.253 4.120 0.000 0.000 0.228 164 V C 0.247 176.280 176.094 -0.103 0.000 1.162 164 V CA 0.123 62.332 62.300 -0.152 0.000 1.222 164 V CB 0.028 31.764 31.823 -0.145 0.000 1.053 164 V HN 0.410 nan 8.190 nan 0.000 0.504 165 F N 2.462 122.314 119.950 -0.163 0.000 2.415 165 F HA 0.616 5.143 4.527 0.000 0.000 0.348 165 F C 0.143 175.818 175.800 -0.209 0.000 1.119 165 F CA -0.336 57.561 58.000 -0.172 0.000 1.069 165 F CB 1.126 40.051 39.000 -0.124 0.000 1.124 165 F HN 0.295 nan 8.300 nan 0.000 0.472 166 T N 0.718 114.896 114.554 -0.627 0.000 2.804 166 T HA 0.307 4.657 4.350 0.000 0.000 0.290 166 T C 0.753 175.123 174.700 -0.551 0.000 1.099 166 T CA -0.344 61.557 62.100 -0.331 0.000 1.011 166 T CB 1.260 69.999 68.868 -0.215 0.000 1.291 166 T HN 0.362 nan 8.240 nan 0.000 0.523 167 S N 0.378 115.955 115.700 -0.205 0.000 2.374 167 S HA -0.083 4.387 4.470 0.000 0.000 0.227 167 S C 2.344 176.802 174.600 -0.237 0.000 1.037 167 S CA 1.477 59.599 58.200 -0.131 0.000 1.024 167 S CB -1.077 62.139 63.200 0.025 0.000 0.861 167 S HN 0.962 nan 8.310 nan 0.000 0.456 168 A N -0.259 122.418 122.820 -0.239 0.000 2.234 168 A HA -0.124 4.196 4.320 0.000 0.000 0.216 168 A C 2.109 179.511 177.584 -0.303 0.000 1.167 168 A CA 1.192 53.098 52.037 -0.219 0.000 0.698 168 A CB -0.981 17.908 19.000 -0.185 0.000 0.779 168 A HN 0.640 nan 8.150 nan 0.000 0.475 169 c N -1.682 116.609 118.600 -0.514 0.000 2.602 169 c HA 0.150 4.720 4.570 0.000 0.000 0.282 169 c C 2.471 176.354 174.090 -0.345 0.000 1.313 169 c CA 0.519 56.489 56.329 -0.598 0.000 1.699 169 c CB -1.206 40.495 42.510 -1.348 0.000 2.124 169 c HN 0.644 nan 8.230 nan 0.000 0.509 170 L N 0.870 121.929 121.223 -0.273 0.000 2.079 170 L HA 0.024 4.364 4.340 0.000 0.000 0.210 170 L C 1.167 178.014 176.870 -0.037 0.000 1.081 170 L CA 2.090 56.901 54.840 -0.048 0.000 0.752 170 L CB -0.566 41.525 42.059 0.053 0.000 0.896 170 L HN 0.707 nan 8.230 nan 0.000 0.433 171 E N 0.000 120.164 120.200 -0.061 0.000 2.725 171 E HA 0.000 4.350 4.350 0.000 0.000 0.291 171 E CA 0.000 nan 56.400 nan 0.000 0.976 171 E CB 0.000 nan 29.700 nan 0.000 0.812 171 E HN 0.000 nan 8.360 nan 0.000 0.440