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 2uvo_1_A DATA FIRST_RESID 2 DATA SEQUENCE RcGEQGSNME cPNNLccSQY GYcGMGGDYc GKGcQNGAcW TSKRcGSQAG DATA SEQUENCE GATcTNNQcc SQYGYcGFGA EYcGAGcQGG PcRADIKcGS QAGGKLcPNN DATA SEQUENCE LccSQWGFcG LGSEFcGGGc QSGAcSTDKP cGKDAGGRVc TNNYccSKWG DATA SEQUENCE ScGIGPGYcG AGcQSGGcD 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 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.232 176.300 -0.113 0.000 0.893 2 R CA 0.000 55.980 56.100 -0.200 0.000 0.921 2 R CB 0.000 30.178 30.300 -0.203 0.000 0.687 3 c N -1.685 116.841 118.600 -0.122 0.000 3.285 3 c HA 0.955 5.519 4.570 -0.010 0.000 0.320 3 c C 1.041 175.097 174.090 -0.057 0.000 1.411 3 c CA 0.221 56.514 56.329 -0.059 0.000 1.429 3 c CB 1.249 43.747 42.510 -0.020 0.000 1.812 3 c HN 1.334 nan 8.230 nan 0.000 0.454 4 G N 0.401 109.181 108.800 -0.033 0.000 2.564 4 G HA2 -0.280 3.674 3.960 -0.010 0.000 0.273 4 G HA3 -0.280 3.674 3.960 -0.010 0.000 0.273 4 G C 0.726 175.606 174.900 -0.034 0.000 1.242 4 G CA 0.985 46.067 45.100 -0.030 0.000 0.951 4 G HN 1.359 nan 8.290 nan 0.000 0.564 5 E N -0.251 119.930 120.200 -0.033 0.000 2.160 5 E HA -0.205 4.138 4.350 -0.010 0.000 0.195 5 E C 2.407 178.988 176.600 -0.032 0.000 0.991 5 E CA 1.897 58.280 56.400 -0.028 0.000 0.810 5 E CB -0.120 29.565 29.700 -0.025 0.000 0.742 5 E HN 0.529 nan 8.360 nan 0.000 0.466 6 Q N -0.962 118.810 119.800 -0.047 0.000 2.472 6 Q HA 0.079 4.413 4.340 -0.010 0.000 0.208 6 Q C 0.638 176.596 176.000 -0.070 0.000 0.958 6 Q CA 0.982 56.748 55.803 -0.060 0.000 0.932 6 Q CB 0.863 29.546 28.738 -0.092 0.000 1.007 6 Q HN 0.213 nan 8.270 nan 0.000 0.508 7 G N -1.134 107.629 108.800 -0.060 0.000 4.849 7 G HA2 0.303 4.256 3.960 -0.010 0.000 0.247 7 G HA3 0.303 4.256 3.960 -0.010 0.000 0.247 7 G C -0.447 174.435 174.900 -0.031 0.000 1.128 7 G CA -0.451 44.617 45.100 -0.053 0.000 0.864 7 G HN -0.027 nan 8.290 nan 0.000 0.567 8 S N 1.140 116.826 115.700 -0.023 0.000 3.533 8 S HA -0.236 4.228 4.470 -0.010 0.000 0.347 8 S C 1.195 175.788 174.600 -0.011 0.000 1.101 8 S CA 0.813 59.006 58.200 -0.013 0.000 1.009 8 S CB -1.253 61.942 63.200 -0.008 0.000 0.916 8 S HN 0.943 nan 8.310 nan 0.000 0.496 9 N N -1.766 116.925 118.700 -0.015 0.000 2.741 9 N HA -0.183 4.551 4.740 -0.010 0.000 0.251 9 N C 0.049 175.553 175.510 -0.010 0.000 1.112 9 N CA 1.619 54.661 53.050 -0.012 0.000 0.750 9 N CB -1.383 37.099 38.487 -0.008 0.000 1.119 9 N HN 0.650 nan 8.380 nan 0.000 0.561 10 M N 0.604 120.197 119.600 -0.012 0.000 2.207 10 M HA 0.087 4.561 4.480 -0.010 0.000 0.311 10 M C 0.722 177.019 176.300 -0.006 0.000 1.127 10 M CA 0.877 56.172 55.300 -0.008 0.000 1.181 10 M CB 0.545 33.139 32.600 -0.010 0.000 1.409 10 M HN -0.021 nan 8.290 nan 0.000 0.461 11 E N -0.164 120.037 120.200 0.001 0.000 2.277 11 E HA 0.365 4.709 4.350 -0.010 0.000 0.266 11 E C -1.352 175.253 176.600 0.009 0.000 0.901 11 E CA -0.915 55.489 56.400 0.006 0.000 0.782 11 E CB 1.840 31.548 29.700 0.012 0.000 1.228 11 E HN 0.606 nan 8.360 nan 0.000 0.424 12 c N 3.111 121.718 118.600 0.012 0.000 2.604 12 c HA 0.338 4.902 4.570 -0.010 0.000 0.396 12 c C -1.680 172.417 174.090 0.011 0.000 1.282 12 c CA -1.172 55.163 56.329 0.009 0.000 2.292 12 c CB -0.732 41.781 42.510 0.005 0.000 2.633 12 c HN 0.594 nan 8.230 nan 0.000 0.620 13 P HA 0.179 nan 4.420 nan 0.000 0.274 13 P C -0.409 176.895 177.300 0.007 0.000 1.237 13 P CA 0.088 63.193 63.100 0.008 0.000 0.793 13 P CB 0.171 31.873 31.700 0.003 0.000 0.977 14 N N 0.345 119.052 118.700 0.011 0.000 2.747 14 N HA -0.212 4.522 4.740 -0.010 0.000 0.249 14 N C -0.158 175.365 175.510 0.023 0.000 1.107 14 N CA 0.641 53.697 53.050 0.009 0.000 0.707 14 N CB -1.857 36.629 38.487 -0.003 0.000 1.054 14 N HN 0.485 nan 8.380 nan 0.000 0.555 15 N N -1.988 116.738 118.700 0.044 0.000 2.753 15 N HA -0.206 4.528 4.740 -0.010 0.000 0.251 15 N C -0.385 175.145 175.510 0.034 0.000 1.097 15 N CA 1.169 54.257 53.050 0.062 0.000 0.786 15 N CB -1.041 37.508 38.487 0.102 0.000 1.137 15 N HN 0.527 nan 8.380 nan 0.000 0.566 16 L N 0.621 121.848 121.223 0.006 0.000 2.506 16 L HA 0.008 4.342 4.340 -0.010 0.000 0.281 16 L C 1.006 177.869 176.870 -0.011 0.000 1.228 16 L CA 0.096 54.921 54.840 -0.026 0.000 0.850 16 L CB 0.344 42.366 42.059 -0.061 0.000 1.110 16 L HN 0.128 nan 8.230 nan 0.000 0.496 17 c N 1.861 120.449 118.600 -0.020 0.000 2.452 17 c HA 0.184 4.748 4.570 -0.010 0.000 0.379 17 c C 0.616 174.756 174.090 0.084 0.000 1.275 17 c CA -1.091 55.248 56.329 0.018 0.000 2.056 17 c CB 0.390 42.899 42.510 -0.002 0.000 2.506 17 c HN 0.818 nan 8.230 nan 0.000 0.560 18 c N 5.331 123.972 118.600 0.068 0.000 2.373 18 c HA 0.472 5.036 4.570 -0.010 0.000 0.354 18 c C 1.125 175.268 174.090 0.089 0.000 1.249 18 c CA -0.180 56.207 56.329 0.097 0.000 1.784 18 c CB -1.494 41.038 42.510 0.035 0.000 2.408 18 c HN 1.077 nan 8.230 nan 0.000 0.542 19 S N 4.603 120.405 115.700 0.170 0.000 2.596 19 S HA 0.077 4.541 4.470 -0.010 0.000 0.260 19 S C 1.235 175.784 174.600 -0.086 0.000 1.336 19 S CA 0.222 58.416 58.200 -0.010 0.000 0.993 19 S CB 0.566 63.691 63.200 -0.125 0.000 0.923 19 S HN 0.904 nan 8.310 nan 0.000 0.567 20 Q N -0.112 119.540 119.800 -0.246 0.000 2.248 20 Q HA -0.200 4.134 4.340 -0.010 0.000 0.208 20 Q C 0.762 176.570 176.000 -0.321 0.000 0.984 20 Q CA 1.784 57.381 55.803 -0.342 0.000 0.875 20 Q CB -0.734 27.686 28.738 -0.530 0.000 0.910 20 Q HN 0.882 nan 8.270 nan 0.000 0.433 21 Y N 0.333 120.645 120.300 0.021 0.000 2.466 21 Y HA 0.345 4.888 4.550 -0.010 0.000 0.272 21 Y C 1.317 177.237 175.900 0.034 0.000 1.169 21 Y CA 0.057 58.209 58.100 0.086 0.000 1.285 21 Y CB 0.584 39.157 38.460 0.188 0.000 1.078 21 Y HN 0.289 nan 8.280 nan 0.000 0.523 22 G N -0.321 108.527 108.800 0.081 0.000 2.248 22 G HA2 -0.281 3.673 3.960 -0.010 0.000 0.252 22 G HA3 -0.281 3.673 3.960 -0.010 0.000 0.252 22 G C -0.683 174.040 174.900 -0.296 0.000 1.085 22 G CA -0.374 44.664 45.100 -0.104 0.000 0.845 22 G HN 0.350 nan 8.290 nan 0.000 0.494 23 Y N -1.597 118.797 120.300 0.156 0.000 2.570 23 Y HA 0.644 5.188 4.550 -0.011 0.000 0.345 23 Y C 0.850 176.916 175.900 0.278 0.000 1.014 23 Y CA -1.120 57.102 58.100 0.203 0.000 1.063 23 Y CB 1.551 40.162 38.460 0.252 0.000 1.272 23 Y HN 0.276 nan 8.280 nan 0.000 0.477 24 c N 1.691 120.473 118.600 0.302 0.000 2.350 24 c HA 0.922 5.486 4.570 -0.010 0.000 0.348 24 c C 0.761 174.665 174.090 -0.311 0.000 1.260 24 c CA -0.113 56.257 56.329 0.068 0.000 1.966 24 c CB -0.106 42.413 42.510 0.015 0.000 2.380 24 c HN 1.013 nan 8.230 nan 0.000 0.535 25 G N 2.419 110.828 108.800 -0.651 0.000 2.427 25 G HA2 0.616 4.570 3.960 -0.010 0.000 0.306 25 G HA3 0.616 4.570 3.960 -0.010 0.000 0.306 25 G C -1.878 172.633 174.900 -0.649 0.000 1.280 25 G CA -0.390 43.980 45.100 -1.217 0.000 0.837 25 G HN 0.549 nan 8.290 nan 0.000 0.482 26 M N -0.351 118.964 119.600 -0.474 0.000 2.550 26 M HA 0.786 5.260 4.480 -0.010 0.000 0.292 26 M C 0.068 176.408 176.300 0.067 0.000 1.221 26 M CA 0.629 55.871 55.300 -0.097 0.000 0.873 26 M CB 1.627 34.199 32.600 -0.047 0.000 1.727 26 M HN 2.633 nan 8.290 nan 0.000 0.459 27 G N 1.433 110.300 108.800 0.112 0.000 2.603 27 G HA2 0.108 4.061 3.960 -0.010 0.000 0.686 27 G HA3 0.108 4.061 3.960 -0.010 0.000 0.686 27 G C 0.273 175.104 174.900 -0.115 0.000 1.286 27 G CA -0.140 45.058 45.100 0.162 0.000 0.871 27 G HN 1.484 nan 8.290 nan 0.000 0.568 28 G N -0.775 107.974 108.800 -0.087 0.000 2.450 28 G HA2 -0.093 3.861 3.960 -0.010 0.000 0.220 28 G HA3 -0.093 3.861 3.960 -0.010 0.000 0.220 28 G C 1.206 175.923 174.900 -0.305 0.000 1.130 28 G CA 1.933 46.801 45.100 -0.387 0.000 0.760 28 G HN 0.747 nan 8.290 nan 0.000 0.557 29 D N -0.807 119.503 120.400 -0.150 0.000 2.264 29 D HA -0.015 4.619 4.640 -0.010 0.000 0.208 29 D C 1.646 177.684 176.300 -0.438 0.000 0.966 29 D CA 0.778 54.622 54.000 -0.260 0.000 0.864 29 D CB -0.016 40.615 40.800 -0.282 0.000 0.933 29 D HN 0.525 nan 8.370 nan 0.000 0.499 30 Y N -1.136 119.045 120.300 -0.198 0.000 2.506 30 Y HA 0.122 4.666 4.550 -0.009 0.000 0.287 30 Y C 2.307 178.027 175.900 -0.301 0.000 1.147 30 Y CA 0.148 58.141 58.100 -0.178 0.000 1.241 30 Y CB -0.021 38.374 38.460 -0.109 0.000 1.279 30 Y HN -0.046 nan 8.280 nan 0.000 0.527 31 c N -0.020 118.353 118.600 -0.379 0.000 2.673 31 c HA 0.393 4.957 4.570 -0.010 0.000 0.264 31 c C 1.926 175.483 174.090 -0.889 0.000 1.304 31 c CA 0.243 56.175 56.329 -0.662 0.000 1.727 31 c CB -1.270 40.678 42.510 -0.937 0.000 1.932 31 c HN 0.575 nan 8.230 nan 0.000 0.563 32 G N 0.123 108.391 108.800 -0.887 0.000 2.783 32 G HA2 0.198 4.152 3.960 -0.010 0.000 0.182 32 G HA3 0.198 4.152 3.960 -0.010 0.000 0.182 32 G C -0.183 174.602 174.900 -0.191 0.000 1.516 32 G CA -0.408 44.399 45.100 -0.489 0.000 1.079 32 G HN 0.376 nan 8.290 nan 0.000 0.573 33 K N 0.367 120.712 120.400 -0.090 0.000 2.504 33 K HA 0.234 4.548 4.320 -0.010 0.000 0.278 33 K C 1.182 177.707 176.600 -0.125 0.000 1.025 33 K CA 1.155 57.400 56.287 -0.070 0.000 1.093 33 K CB -0.252 32.223 32.500 -0.041 0.000 0.873 33 K HN 1.105 nan 8.250 nan 0.000 0.483 34 G N 2.845 111.581 108.800 -0.107 0.000 2.199 34 G HA2 -0.313 3.641 3.960 -0.010 0.000 0.254 34 G HA3 -0.313 3.641 3.960 -0.010 0.000 0.254 34 G C 0.373 175.193 174.900 -0.133 0.000 0.982 34 G CA 0.033 45.049 45.100 -0.140 0.000 0.632 34 G HN 0.812 nan 8.290 nan 0.000 0.529 35 c N 1.210 119.738 118.600 -0.121 0.000 2.538 35 c HA 0.401 4.965 4.570 -0.010 0.000 0.408 35 c C 2.020 176.073 174.090 -0.061 0.000 1.421 35 c CA 1.230 57.501 56.329 -0.097 0.000 1.642 35 c CB 0.131 42.575 42.510 -0.112 0.000 2.553 35 c HN 0.641 nan 8.230 nan 0.000 0.604 36 Q N 2.542 122.315 119.800 -0.045 0.000 2.324 36 Q HA 0.147 4.480 4.340 -0.010 0.000 0.207 36 Q C 0.255 176.242 176.000 -0.021 0.000 0.928 36 Q CA 0.827 56.610 55.803 -0.034 0.000 0.890 36 Q CB 0.216 28.934 28.738 -0.033 0.000 1.001 36 Q HN 0.975 nan 8.270 nan 0.000 0.517 37 N N -1.987 116.705 118.700 -0.014 0.000 3.261 37 N HA 0.475 5.209 4.740 -0.010 0.000 0.248 37 N C -0.159 175.350 175.510 -0.002 0.000 1.498 37 N CA -0.010 53.035 53.050 -0.009 0.000 0.884 37 N CB 0.578 39.061 38.487 -0.007 0.000 1.428 37 N HN 0.101 nan 8.380 nan 0.000 0.517 38 G N -0.577 108.225 108.800 0.002 0.000 2.568 38 G HA2 0.292 4.246 3.960 -0.010 0.000 0.222 38 G HA3 0.292 4.246 3.960 -0.010 0.000 0.222 38 G C -0.114 174.795 174.900 0.015 0.000 1.321 38 G CA 0.357 45.466 45.100 0.015 0.000 0.893 38 G HN 1.671 nan 8.290 nan 0.000 0.569 39 A N -0.428 122.413 122.820 0.035 0.000 3.029 39 A HA 0.481 4.795 4.320 -0.010 0.000 0.251 39 A C 1.104 178.735 177.584 0.078 0.000 1.749 39 A CA 0.864 52.938 52.037 0.063 0.000 1.386 39 A CB -1.346 17.714 19.000 0.100 0.000 1.043 39 A HN 1.562 nan 8.150 nan 0.000 0.638 40 c N 0.290 118.913 118.600 0.038 0.000 2.657 40 c HA -0.011 4.553 4.570 -0.010 0.000 0.420 40 c C 1.468 175.670 174.090 0.187 0.000 1.323 40 c CA -0.383 55.964 56.329 0.029 0.000 1.894 40 c CB -0.852 41.664 42.510 0.012 0.000 2.681 40 c HN 0.842 nan 8.230 nan 0.000 0.613 41 W N 1.452 122.764 121.300 0.020 0.000 2.363 41 W HA -0.017 4.636 4.660 -0.013 0.000 0.296 41 W C 1.311 177.839 176.519 0.015 0.000 1.212 41 W CA 0.843 58.197 57.345 0.016 0.000 1.260 41 W CB -1.301 28.171 29.460 0.019 0.000 1.131 41 W HN 0.501 nan 8.180 nan 0.000 0.530 42 T N 1.577 116.279 114.554 0.246 0.000 2.762 42 T HA 0.285 4.629 4.350 -0.010 0.000 0.303 42 T C 0.256 175.038 174.700 0.137 0.000 0.977 42 T CA -0.261 61.936 62.100 0.162 0.000 0.961 42 T CB 0.946 69.893 68.868 0.132 0.000 0.944 42 T HN -0.269 nan 8.240 nan 0.000 0.481 43 S N 4.282 120.072 115.700 0.150 0.000 2.560 43 S HA 0.126 4.590 4.470 -0.010 0.000 0.284 43 S C 0.771 175.469 174.600 0.164 0.000 1.327 43 S CA -0.590 57.698 58.200 0.147 0.000 1.055 43 S CB 0.369 63.684 63.200 0.191 0.000 0.868 43 S HN 0.428 nan 8.310 nan 0.000 0.506 44 K N 2.479 122.933 120.400 0.090 0.000 2.258 44 K HA 0.238 4.552 4.320 -0.010 0.000 0.264 44 K C 0.287 176.913 176.600 0.042 0.000 1.007 44 K CA -0.338 55.980 56.287 0.052 0.000 0.941 44 K CB 0.323 32.829 32.500 0.010 0.000 0.966 44 K HN 0.439 nan 8.250 nan 0.000 0.480 45 R N 0.549 121.034 120.500 -0.025 0.000 2.500 45 R HA 0.392 4.726 4.340 -0.010 0.000 0.275 45 R C 0.311 176.560 176.300 -0.085 0.000 1.051 45 R CA -0.439 55.584 56.100 -0.128 0.000 1.088 45 R CB 0.364 30.564 30.300 -0.168 0.000 1.063 45 R HN 0.966 nan 8.270 nan 0.000 0.511 46 c N -2.577 115.962 118.600 -0.102 0.000 3.320 46 c HA 0.871 5.435 4.570 -0.010 0.000 0.335 46 c C 0.638 174.693 174.090 -0.058 0.000 1.430 46 c CA -0.079 56.216 56.329 -0.057 0.000 1.271 46 c CB 1.010 43.503 42.510 -0.028 0.000 1.609 46 c HN 1.085 nan 8.230 nan 0.000 0.457 47 G N 1.456 110.233 108.800 -0.038 0.000 2.562 47 G HA2 -0.039 3.914 3.960 -0.010 0.000 0.250 47 G HA3 -0.039 3.914 3.960 -0.010 0.000 0.250 47 G C 0.938 175.816 174.900 -0.036 0.000 1.269 47 G CA 0.982 46.062 45.100 -0.033 0.000 0.919 47 G HN 2.565 nan 8.290 nan 0.000 0.574 48 S N -1.033 114.648 115.700 -0.032 0.000 2.419 48 S HA -0.164 4.300 4.470 -0.010 0.000 0.235 48 S C 1.995 176.576 174.600 -0.032 0.000 1.019 48 S CA 2.341 60.524 58.200 -0.027 0.000 0.982 48 S CB -0.208 62.979 63.200 -0.021 0.000 0.789 48 S HN 0.768 nan 8.310 nan 0.000 0.490 49 Q N 1.095 120.868 119.800 -0.045 0.000 2.472 49 Q HA 0.440 4.774 4.340 -0.010 0.000 0.208 49 Q C 1.195 177.155 176.000 -0.067 0.000 0.958 49 Q CA 0.993 56.761 55.803 -0.058 0.000 0.932 49 Q CB -0.064 28.621 28.738 -0.089 0.000 1.007 49 Q HN 0.754 nan 8.270 nan 0.000 0.508 50 A N -0.699 122.084 122.820 -0.060 0.000 2.674 50 A HA 0.571 4.885 4.320 -0.010 0.000 0.286 50 A C 0.816 178.377 177.584 -0.037 0.000 0.980 50 A CA -0.035 51.969 52.037 -0.054 0.000 1.028 50 A CB -0.370 18.590 19.000 -0.067 0.000 1.199 50 A HN 0.213 nan 8.150 nan 0.000 0.499 51 G N -0.714 108.068 108.800 -0.031 0.000 2.249 51 G HA2 0.114 4.068 3.960 -0.010 0.000 0.273 51 G HA3 0.114 4.068 3.960 -0.010 0.000 0.273 51 G C 1.555 176.442 174.900 -0.023 0.000 1.036 51 G CA 1.068 46.154 45.100 -0.024 0.000 0.824 51 G HN 2.290 nan 8.290 nan 0.000 0.504 52 G N -1.956 106.829 108.800 -0.025 0.000 2.179 52 G HA2 0.163 4.117 3.960 -0.010 0.000 0.260 52 G HA3 0.163 4.117 3.960 -0.010 0.000 0.260 52 G C 0.937 175.824 174.900 -0.021 0.000 0.977 52 G CA 1.103 46.190 45.100 -0.022 0.000 0.641 52 G HN 2.342 nan 8.290 nan 0.000 0.533 53 A N 0.623 123.429 122.820 -0.024 0.000 2.531 53 A HA 0.571 4.885 4.320 -0.010 0.000 0.236 53 A C 1.086 178.657 177.584 -0.022 0.000 1.062 53 A CA 1.479 53.502 52.037 -0.023 0.000 0.760 53 A CB 0.080 19.065 19.000 -0.026 0.000 0.995 53 A HN 1.820 nan 8.150 nan 0.000 0.501 54 T N -0.351 114.193 114.554 -0.017 0.000 2.934 54 T HA 0.494 4.837 4.350 -0.010 0.000 0.283 54 T C 0.222 174.910 174.700 -0.020 0.000 1.005 54 T CA -0.803 61.288 62.100 -0.016 0.000 1.041 54 T CB 0.689 69.551 68.868 -0.010 0.000 1.042 54 T HN 0.655 nan 8.240 nan 0.000 0.505 55 c N 2.679 121.264 118.600 -0.025 0.000 2.604 55 c HA 0.607 5.171 4.570 -0.010 0.000 0.396 55 c C 1.736 175.805 174.090 -0.035 0.000 1.282 55 c CA -0.574 55.731 56.329 -0.040 0.000 2.292 55 c CB 0.072 42.539 42.510 -0.071 0.000 2.633 55 c HN 1.122 nan 8.230 nan 0.000 0.620 56 T N -0.507 114.025 114.554 -0.037 0.000 2.824 56 T HA 0.314 4.658 4.350 -0.010 0.000 0.277 56 T C 0.313 174.997 174.700 -0.027 0.000 0.975 56 T CA -0.306 61.780 62.100 -0.023 0.000 0.966 56 T CB 0.118 68.976 68.868 -0.017 0.000 1.054 56 T HN 0.777 nan 8.240 nan 0.000 0.533 57 N N 0.703 119.406 118.700 0.005 0.000 2.708 57 N HA -0.204 4.530 4.740 -0.010 0.000 0.251 57 N C -0.166 175.396 175.510 0.087 0.000 1.123 57 N CA 0.796 53.871 53.050 0.042 0.000 0.739 57 N CB -1.753 36.760 38.487 0.044 0.000 1.113 57 N HN 0.746 nan 8.380 nan 0.000 0.561 58 N N -1.104 117.630 118.700 0.056 0.000 2.725 58 N HA -0.210 4.524 4.740 -0.010 0.000 0.249 58 N C -0.627 174.940 175.510 0.095 0.000 1.103 58 N CA 1.266 54.372 53.050 0.094 0.000 0.707 58 N CB -0.838 37.731 38.487 0.136 0.000 1.043 58 N HN 0.675 nan 8.380 nan 0.000 0.553 59 Q N -0.492 119.214 119.800 -0.158 0.000 2.417 59 Q HA 0.302 4.635 4.340 -0.010 0.000 0.241 59 Q C 0.186 176.021 176.000 -0.275 0.000 1.008 59 Q CA 0.001 55.443 55.803 -0.602 0.000 0.901 59 Q CB 0.938 29.287 28.738 -0.649 0.000 1.259 59 Q HN 0.286 nan 8.270 nan 0.000 0.489 60 c N 1.003 119.434 118.600 -0.283 0.000 2.452 60 c HA 0.221 4.784 4.570 -0.010 0.000 0.379 60 c C 0.516 174.628 174.090 0.035 0.000 1.275 60 c CA -1.026 55.294 56.329 -0.015 0.000 2.056 60 c CB 0.044 42.627 42.510 0.121 0.000 2.506 60 c HN 0.786 nan 8.230 nan 0.000 0.560 61 c N 5.281 123.913 118.600 0.054 0.000 2.281 61 c HA 0.496 5.060 4.570 -0.010 0.000 0.336 61 c C 1.073 175.218 174.090 0.091 0.000 1.217 61 c CA -0.213 56.162 56.329 0.077 0.000 1.730 61 c CB -1.435 41.090 42.510 0.025 0.000 2.338 61 c HN 1.069 nan 8.230 nan 0.000 0.521 62 S N 4.605 120.397 115.700 0.152 0.000 2.596 62 S HA 0.091 4.555 4.470 -0.010 0.000 0.260 62 S C 1.257 175.816 174.600 -0.070 0.000 1.336 62 S CA 0.221 58.430 58.200 0.015 0.000 0.993 62 S CB 0.626 63.775 63.200 -0.086 0.000 0.923 62 S HN 0.907 nan 8.310 nan 0.000 0.567 63 Q N 0.055 119.715 119.800 -0.233 0.000 2.248 63 Q HA -0.202 4.132 4.340 -0.010 0.000 0.208 63 Q C 0.662 176.465 176.000 -0.327 0.000 0.984 63 Q CA 1.796 57.391 55.803 -0.346 0.000 0.875 63 Q CB -0.704 27.708 28.738 -0.544 0.000 0.910 63 Q HN 0.893 nan 8.270 nan 0.000 0.433 64 Y N 0.107 120.426 120.300 0.031 0.000 2.457 64 Y HA 0.368 4.911 4.550 -0.011 0.000 0.263 64 Y C 1.360 177.261 175.900 0.001 0.000 1.164 64 Y CA -0.026 58.122 58.100 0.080 0.000 1.274 64 Y CB 0.694 39.271 38.460 0.195 0.000 1.097 64 Y HN 0.288 nan 8.280 nan 0.000 0.523 65 G N -0.422 108.414 108.800 0.061 0.000 2.171 65 G HA2 -0.286 3.668 3.960 -0.010 0.000 0.238 65 G HA3 -0.286 3.668 3.960 -0.010 0.000 0.238 65 G C -0.663 174.078 174.900 -0.265 0.000 1.039 65 G CA -0.437 44.599 45.100 -0.106 0.000 0.759 65 G HN 0.324 nan 8.290 nan 0.000 0.501 66 Y N -1.027 119.362 120.300 0.147 0.000 2.429 66 Y HA 0.594 5.137 4.550 -0.012 0.000 0.342 66 Y C 1.002 177.051 175.900 0.248 0.000 1.004 66 Y CA -1.085 57.133 58.100 0.196 0.000 1.075 66 Y CB 1.524 40.150 38.460 0.277 0.000 1.214 66 Y HN 0.266 nan 8.280 nan 0.000 0.455 67 c N 2.347 121.101 118.600 0.256 0.000 2.435 67 c HA 0.872 5.436 4.570 -0.010 0.000 0.375 67 c C 0.877 174.831 174.090 -0.227 0.000 1.281 67 c CA -0.066 56.286 56.329 0.039 0.000 1.963 67 c CB -0.439 42.040 42.510 -0.051 0.000 2.490 67 c HN 1.040 nan 8.230 nan 0.000 0.557 68 G N 1.510 109.996 108.800 -0.523 0.000 2.428 68 G HA2 0.661 4.615 3.960 -0.010 0.000 0.305 68 G HA3 0.661 4.615 3.960 -0.010 0.000 0.305 68 G C -1.912 172.485 174.900 -0.838 0.000 1.260 68 G CA -0.299 44.176 45.100 -1.040 0.000 0.853 68 G HN 0.373 nan 8.290 nan 0.000 0.480 69 F N -0.246 119.466 119.950 -0.397 0.000 2.613 69 F HA 0.843 5.373 4.527 0.004 0.000 0.314 69 F C 0.697 176.529 175.800 0.052 0.000 1.075 69 F CA 0.177 58.133 58.000 -0.075 0.000 0.945 69 F CB 2.185 41.154 39.000 -0.052 0.000 1.310 69 F HN 1.628 nan 8.300 nan 0.000 0.467 70 G N 0.308 109.324 108.800 0.360 0.000 2.541 70 G HA2 0.366 4.320 3.960 -0.010 0.000 0.686 70 G HA3 0.366 4.320 3.960 -0.010 0.000 0.686 70 G C 0.353 175.407 174.900 0.255 0.000 1.286 70 G CA -0.191 45.066 45.100 0.261 0.000 0.894 70 G HN 1.220 nan 8.290 nan 0.000 0.575 71 A N -0.464 122.455 122.820 0.165 0.000 1.948 71 A HA 0.004 4.318 4.320 -0.010 0.000 0.220 71 A C 2.057 179.695 177.584 0.090 0.000 1.177 71 A CA 2.623 54.726 52.037 0.111 0.000 0.636 71 A CB -0.536 18.507 19.000 0.071 0.000 0.815 71 A HN 0.967 nan 8.150 nan 0.000 0.449 72 E N -1.489 118.764 120.200 0.089 0.000 2.204 72 E HA -0.161 4.183 4.350 -0.010 0.000 0.195 72 E C 1.445 177.899 176.600 -0.243 0.000 0.990 72 E CA 1.579 57.932 56.400 -0.078 0.000 0.821 72 E CB -0.299 29.323 29.700 -0.130 0.000 0.750 72 E HN 0.868 nan 8.360 nan 0.000 0.477 73 Y N -2.192 118.150 120.300 0.071 0.000 2.422 73 Y HA 0.067 4.608 4.550 -0.015 0.000 0.291 73 Y C 2.020 177.949 175.900 0.048 0.000 1.144 73 Y CA 0.348 58.483 58.100 0.059 0.000 1.208 73 Y CB 0.125 38.616 38.460 0.052 0.000 1.195 73 Y HN 0.042 nan 8.280 nan 0.000 0.535 74 c N -0.195 118.542 118.600 0.227 0.000 2.673 74 c HA 0.371 4.935 4.570 -0.010 0.000 0.264 74 c C 1.937 176.082 174.090 0.091 0.000 1.304 74 c CA 0.193 56.618 56.329 0.159 0.000 1.727 74 c CB -1.276 41.350 42.510 0.192 0.000 1.932 74 c HN 0.571 nan 8.230 nan 0.000 0.563 75 G N 0.439 109.280 108.800 0.067 0.000 2.783 75 G HA2 0.473 4.427 3.960 -0.010 0.000 0.182 75 G HA3 0.473 4.427 3.960 -0.010 0.000 0.182 75 G C 0.175 175.077 174.900 0.003 0.000 1.516 75 G CA 0.376 45.496 45.100 0.034 0.000 1.079 75 G HN 0.544 nan 8.290 nan 0.000 0.573 76 A N -1.403 121.409 122.820 -0.013 0.000 2.580 76 A HA 0.457 4.771 4.320 -0.010 0.000 0.244 76 A C 1.606 179.147 177.584 -0.072 0.000 1.045 76 A CA 1.472 53.489 52.037 -0.033 0.000 0.761 76 A CB -0.845 18.135 19.000 -0.033 0.000 0.962 76 A HN 2.506 nan 8.150 nan 0.000 0.512 77 G N 0.687 109.448 108.800 -0.066 0.000 2.179 77 G HA2 -0.256 3.697 3.960 -0.010 0.000 0.260 77 G HA3 -0.256 3.697 3.960 -0.010 0.000 0.260 77 G C 0.777 175.626 174.900 -0.084 0.000 0.977 77 G CA 0.418 45.458 45.100 -0.099 0.000 0.641 77 G HN 1.973 nan 8.290 nan 0.000 0.533 78 c N 0.872 119.446 118.600 -0.043 0.000 2.596 78 c HA 0.435 4.999 4.570 -0.010 0.000 0.414 78 c C 1.890 175.976 174.090 -0.006 0.000 1.396 78 c CA 1.099 57.422 56.329 -0.010 0.000 1.698 78 c CB 0.178 42.705 42.510 0.029 0.000 2.572 78 c HN 0.625 nan 8.230 nan 0.000 0.604 79 Q N 2.970 122.768 119.800 -0.004 0.000 2.352 79 Q HA 0.291 4.625 4.340 -0.010 0.000 0.212 79 Q C 0.771 176.774 176.000 0.005 0.000 0.888 79 Q CA 0.593 56.392 55.803 -0.006 0.000 0.934 79 Q CB 0.768 29.496 28.738 -0.016 0.000 1.093 79 Q HN 0.996 nan 8.270 nan 0.000 0.523 80 G N -1.232 107.578 108.800 0.016 0.000 2.523 80 G HA2 0.474 4.427 3.960 -0.010 0.000 0.291 80 G HA3 0.474 4.427 3.960 -0.010 0.000 0.291 80 G C -0.562 174.354 174.900 0.027 0.000 1.450 80 G CA -0.135 44.975 45.100 0.017 0.000 0.790 80 G HN 0.231 nan 8.290 nan 0.000 0.496 81 G N -0.325 108.491 108.800 0.026 0.000 2.681 81 G HA2 0.059 4.013 3.960 -0.010 0.000 0.220 81 G HA3 0.059 4.013 3.960 -0.010 0.000 0.220 81 G C -2.231 172.705 174.900 0.060 0.000 1.353 81 G CA 0.050 45.175 45.100 0.041 0.000 0.872 81 G HN 1.115 nan 8.290 nan 0.000 0.557 82 P HA 0.329 nan 4.420 nan 0.000 0.231 82 P C 0.589 177.945 177.300 0.093 0.000 1.756 82 P CA -0.237 62.915 63.100 0.087 0.000 0.990 82 P CB -0.840 30.930 31.700 0.116 0.000 1.973 83 c N 1.535 120.179 118.600 0.074 0.000 2.665 83 c HA 0.074 4.638 4.570 -0.010 0.000 0.416 83 c C 2.418 176.545 174.090 0.062 0.000 1.305 83 c CA -0.257 56.115 56.329 0.071 0.000 1.903 83 c CB -0.357 42.186 42.510 0.056 0.000 2.704 83 c HN 0.485 nan 8.230 nan 0.000 0.629 84 R N 1.307 121.843 120.500 0.059 0.000 2.148 84 R HA 0.006 4.340 4.340 -0.010 0.000 0.227 84 R C 0.984 177.307 176.300 0.039 0.000 1.103 84 R CA 1.023 57.150 56.100 0.045 0.000 0.983 84 R CB -0.191 30.135 30.300 0.043 0.000 0.874 84 R HN 0.830 nan 8.270 nan 0.000 0.451 85 A N 1.841 124.687 122.820 0.045 0.000 2.388 85 A HA 0.085 4.399 4.320 -0.010 0.000 0.257 85 A C -0.578 177.052 177.584 0.076 0.000 1.095 85 A CA -0.587 51.481 52.037 0.052 0.000 0.791 85 A CB 0.304 19.335 19.000 0.052 0.000 1.029 85 A HN 0.059 nan 8.150 nan 0.000 0.489 86 D N 0.829 121.284 120.400 0.091 0.000 2.488 86 D HA 0.195 4.829 4.640 -0.010 0.000 0.238 86 D C -0.188 176.269 176.300 0.260 0.000 1.138 86 D CA 1.038 55.138 54.000 0.167 0.000 0.873 86 D CB 0.493 41.359 40.800 0.109 0.000 1.183 86 D HN 0.370 nan 8.370 nan 0.000 0.458 87 I N 2.627 123.377 120.570 0.299 0.000 2.330 87 I HA 0.136 4.300 4.170 -0.010 0.000 0.289 87 I C 0.760 177.004 176.117 0.212 0.000 1.001 87 I CA -0.658 60.766 61.300 0.207 0.000 1.193 87 I CB 0.948 39.023 38.000 0.124 0.000 1.345 87 I HN -0.087 nan 8.210 nan 0.000 0.461 88 K N 5.638 126.079 120.400 0.067 0.000 2.185 88 K HA 0.622 4.935 4.320 -0.010 0.000 0.271 88 K C -0.491 176.055 176.600 -0.089 0.000 1.013 88 K CA -0.438 55.761 56.287 -0.147 0.000 0.943 88 K CB 1.349 33.741 32.500 -0.180 0.000 0.998 88 K HN 0.811 nan 8.250 nan 0.000 0.468 89 c N -1.315 117.205 118.600 -0.133 0.000 3.320 89 c HA 0.870 5.434 4.570 -0.010 0.000 0.335 89 c C 0.523 174.566 174.090 -0.079 0.000 1.430 89 c CA -0.094 56.196 56.329 -0.065 0.000 1.271 89 c CB 0.407 42.912 42.510 -0.008 0.000 1.609 89 c HN 1.057 nan 8.230 nan 0.000 0.457 90 G N 0.871 109.641 108.800 -0.051 0.000 2.593 90 G HA2 -0.045 3.909 3.960 -0.010 0.000 0.237 90 G HA3 -0.045 3.909 3.960 -0.010 0.000 0.237 90 G C 0.888 175.754 174.900 -0.057 0.000 1.312 90 G CA 0.801 45.871 45.100 -0.049 0.000 0.896 90 G HN 2.305 nan 8.290 nan 0.000 0.574 91 S N -0.838 114.828 115.700 -0.056 0.000 2.383 91 S HA -0.151 4.312 4.470 -0.010 0.000 0.229 91 S C 2.265 176.833 174.600 -0.054 0.000 1.030 91 S CA 2.519 60.688 58.200 -0.051 0.000 1.002 91 S CB -0.284 62.885 63.200 -0.051 0.000 0.829 91 S HN 0.628 nan 8.310 nan 0.000 0.467 92 Q N 0.274 120.031 119.800 -0.070 0.000 2.488 92 Q HA 0.348 4.682 4.340 -0.010 0.000 0.211 92 Q C 0.758 176.709 176.000 -0.082 0.000 0.967 92 Q CA 0.919 56.676 55.803 -0.076 0.000 0.926 92 Q CB 0.095 28.772 28.738 -0.103 0.000 0.992 92 Q HN 0.510 nan 8.270 nan 0.000 0.506 93 A N -0.679 122.094 122.820 -0.078 0.000 2.992 93 A HA 0.575 4.889 4.320 -0.010 0.000 0.263 93 A C 0.769 178.324 177.584 -0.048 0.000 0.928 93 A CA -0.083 51.914 52.037 -0.068 0.000 1.061 93 A CB -0.424 18.524 19.000 -0.087 0.000 1.173 93 A HN 0.224 nan 8.150 nan 0.000 0.482 94 G N -0.593 108.182 108.800 -0.041 0.000 2.203 94 G HA2 0.103 4.057 3.960 -0.010 0.000 0.263 94 G HA3 0.103 4.057 3.960 -0.010 0.000 0.263 94 G C 1.592 176.472 174.900 -0.034 0.000 1.012 94 G CA 1.095 46.175 45.100 -0.033 0.000 0.749 94 G HN 2.380 nan 8.290 nan 0.000 0.512 95 G N -1.104 107.673 108.800 -0.039 0.000 2.143 95 G HA2 -0.283 3.671 3.960 -0.010 0.000 0.249 95 G HA3 -0.283 3.671 3.960 -0.010 0.000 0.249 95 G C 0.367 175.244 174.900 -0.039 0.000 0.981 95 G CA 1.210 46.287 45.100 -0.039 0.000 0.665 95 G HN 1.296 nan 8.290 nan 0.000 0.528 96 K N 0.480 120.857 120.400 -0.038 0.000 2.484 96 K HA 0.368 4.682 4.320 -0.010 0.000 0.280 96 K C 1.026 177.606 176.600 -0.033 0.000 1.013 96 K CA -0.219 56.047 56.287 -0.034 0.000 1.029 96 K CB 0.068 32.550 32.500 -0.031 0.000 0.902 96 K HN 0.319 nan 8.250 nan 0.000 0.481 97 L N 3.777 124.979 121.223 -0.034 0.000 2.418 97 L HA 0.205 4.538 4.340 -0.010 0.000 0.265 97 L C 0.062 176.922 176.870 -0.017 0.000 1.143 97 L CA -1.136 53.684 54.840 -0.034 0.000 0.809 97 L CB 1.139 43.166 42.059 -0.054 0.000 1.124 97 L HN 0.712 nan 8.230 nan 0.000 0.456 98 c N 2.363 120.960 118.600 -0.005 0.000 2.527 98 c HA 0.325 4.888 4.570 -0.010 0.000 0.396 98 c C -1.502 172.589 174.090 0.002 0.000 1.289 98 c CA -1.056 55.278 56.329 0.009 0.000 2.047 98 c CB -0.098 42.428 42.510 0.027 0.000 2.568 98 c HN 0.532 nan 8.230 nan 0.000 0.573 99 P HA 0.190 nan 4.420 nan 0.000 0.274 99 P C -0.369 176.938 177.300 0.011 0.000 1.246 99 P CA -0.015 63.087 63.100 0.003 0.000 0.795 99 P CB 0.191 31.893 31.700 0.003 0.000 1.006 100 N N 0.528 119.236 118.700 0.015 0.000 2.721 100 N HA -0.219 4.515 4.740 -0.010 0.000 0.249 100 N C -0.170 175.363 175.510 0.038 0.000 1.072 100 N CA 0.660 53.725 53.050 0.024 0.000 0.710 100 N CB -1.806 36.691 38.487 0.018 0.000 0.993 100 N HN 0.471 nan 8.380 nan 0.000 0.547 101 N N -2.891 115.843 118.700 0.057 0.000 2.778 101 N HA -0.206 4.528 4.740 -0.010 0.000 0.249 101 N C -0.407 175.149 175.510 0.077 0.000 1.069 101 N CA 0.887 53.997 53.050 0.100 0.000 0.831 101 N CB -0.756 37.804 38.487 0.122 0.000 1.142 101 N HN 0.355 nan 8.380 nan 0.000 0.573 102 L N 0.928 122.176 121.223 0.042 0.000 2.499 102 L HA -0.003 4.331 4.340 -0.010 0.000 0.281 102 L C 0.857 177.761 176.870 0.056 0.000 1.234 102 L CA 0.373 55.226 54.840 0.023 0.000 0.839 102 L CB 0.373 42.423 42.059 -0.015 0.000 1.104 102 L HN 0.189 nan 8.230 nan 0.000 0.500 103 c N 2.036 120.680 118.600 0.073 0.000 2.514 103 c HA 0.198 4.762 4.570 -0.010 0.000 0.392 103 c C 0.558 174.760 174.090 0.186 0.000 1.294 103 c CA -1.201 55.212 56.329 0.139 0.000 1.957 103 c CB -0.066 42.562 42.510 0.196 0.000 2.541 103 c HN 0.826 nan 8.230 nan 0.000 0.569 104 c N 5.639 124.332 118.600 0.155 0.000 2.281 104 c HA 0.493 5.057 4.570 -0.010 0.000 0.336 104 c C 1.086 175.289 174.090 0.188 0.000 1.217 104 c CA -0.242 56.187 56.329 0.167 0.000 1.730 104 c CB -1.469 41.084 42.510 0.073 0.000 2.338 104 c HN 1.075 nan 8.230 nan 0.000 0.521 105 S N 4.500 120.387 115.700 0.312 0.000 2.596 105 S HA 0.072 4.536 4.470 -0.010 0.000 0.260 105 S C 1.197 175.811 174.600 0.023 0.000 1.336 105 S CA 0.218 58.551 58.200 0.222 0.000 0.993 105 S CB 0.604 64.000 63.200 0.326 0.000 0.923 105 S HN 0.912 nan 8.310 nan 0.000 0.567 106 Q N 0.269 119.917 119.800 -0.253 0.000 2.364 106 Q HA -0.079 4.255 4.340 -0.010 0.000 0.209 106 Q C 0.762 176.447 176.000 -0.525 0.000 0.977 106 Q CA 1.120 56.616 55.803 -0.512 0.000 0.885 106 Q CB -0.253 27.995 28.738 -0.817 0.000 0.941 106 Q HN 0.897 nan 8.270 nan 0.000 0.464 107 W N 0.456 121.784 121.300 0.046 0.000 3.290 107 W HA 0.350 5.006 4.660 -0.007 0.000 0.287 107 W C 0.654 177.178 176.519 0.008 0.000 1.288 107 W CA 0.420 57.819 57.345 0.090 0.000 1.725 107 W CB 0.457 30.027 29.460 0.184 0.000 1.103 107 W HN 0.440 nan 8.180 nan 0.000 0.670 108 G N 1.049 109.906 108.800 0.096 0.000 2.203 108 G HA2 -0.268 3.685 3.960 -0.010 0.000 0.231 108 G HA3 -0.268 3.685 3.960 -0.010 0.000 0.231 108 G C -0.745 173.918 174.900 -0.394 0.000 1.058 108 G CA -0.500 44.510 45.100 -0.150 0.000 0.781 108 G HN 0.084 nan 8.290 nan 0.000 0.496 109 F N -0.595 119.504 119.950 0.248 0.000 2.551 109 F HA 0.601 5.125 4.527 -0.005 0.000 0.316 109 F C 0.913 176.947 175.800 0.389 0.000 1.089 109 F CA -1.120 57.059 58.000 0.298 0.000 0.915 109 F CB 1.576 40.786 39.000 0.350 0.000 1.186 109 F HN 0.155 nan 8.300 nan 0.000 0.456 110 c N 2.060 120.899 118.600 0.399 0.000 2.514 110 c HA 0.845 5.409 4.570 -0.010 0.000 0.392 110 c C 0.766 174.753 174.090 -0.172 0.000 1.294 110 c CA -0.188 56.243 56.329 0.169 0.000 1.957 110 c CB -0.329 42.227 42.510 0.076 0.000 2.541 110 c HN 1.021 nan 8.230 nan 0.000 0.569 111 G N 2.260 110.756 108.800 -0.507 0.000 2.427 111 G HA2 0.595 4.549 3.960 -0.010 0.000 0.306 111 G HA3 0.595 4.549 3.960 -0.010 0.000 0.306 111 G C -2.056 172.484 174.900 -0.601 0.000 1.280 111 G CA -0.529 43.872 45.100 -1.165 0.000 0.837 111 G HN 0.611 nan 8.290 nan 0.000 0.482 112 L N -0.222 120.716 121.223 -0.474 0.000 2.409 112 L HA 0.798 5.131 4.340 -0.010 0.000 0.262 112 L C 0.415 177.328 176.870 0.072 0.000 0.992 112 L CA -0.032 54.759 54.840 -0.082 0.000 0.817 112 L CB 2.293 44.322 42.059 -0.051 0.000 1.350 112 L HN 1.816 nan 8.230 nan 0.000 0.411 113 G N 0.294 109.192 108.800 0.163 0.000 2.440 113 G HA2 -0.113 3.841 3.960 -0.010 0.000 0.684 113 G HA3 -0.113 3.841 3.960 -0.010 0.000 0.684 113 G C 0.371 175.416 174.900 0.242 0.000 1.309 113 G CA -0.127 45.090 45.100 0.196 0.000 0.931 113 G HN 0.805 nan 8.290 nan 0.000 0.612 114 S N -0.598 115.202 115.700 0.166 0.000 2.400 114 S HA -0.125 4.339 4.470 -0.010 0.000 0.232 114 S C 1.723 176.411 174.600 0.146 0.000 1.025 114 S CA 2.236 60.517 58.200 0.134 0.000 0.993 114 S CB -0.223 63.031 63.200 0.091 0.000 0.808 114 S HN 0.734 nan 8.310 nan 0.000 0.478 115 E N 0.832 121.116 120.200 0.140 0.000 2.153 115 E HA 0.040 4.384 4.350 -0.010 0.000 0.194 115 E C 1.380 177.991 176.600 0.018 0.000 0.988 115 E CA 1.310 57.737 56.400 0.044 0.000 0.811 115 E CB -0.380 29.224 29.700 -0.159 0.000 0.746 115 E HN 0.744 nan 8.360 nan 0.000 0.466 116 F N -1.381 118.679 119.950 0.182 0.000 2.374 116 F HA 0.049 4.567 4.527 -0.014 0.000 0.291 116 F C 1.836 177.709 175.800 0.120 0.000 1.084 116 F CA 0.273 58.380 58.000 0.178 0.000 1.413 116 F CB 0.035 39.122 39.000 0.145 0.000 1.099 116 F HN 0.031 nan 8.300 nan 0.000 0.534 117 c N -0.219 118.545 118.600 0.274 0.000 2.673 117 c HA 0.425 4.989 4.570 -0.010 0.000 0.264 117 c C 1.681 175.834 174.090 0.105 0.000 1.304 117 c CA -0.114 56.315 56.329 0.168 0.000 1.727 117 c CB -1.433 41.162 42.510 0.141 0.000 1.932 117 c HN 0.379 nan 8.230 nan 0.000 0.563 118 G N -0.620 108.238 108.800 0.098 0.000 2.568 118 G HA2 0.521 4.475 3.960 -0.010 0.000 0.293 118 G HA3 0.521 4.475 3.960 -0.010 0.000 0.293 118 G C 0.642 175.552 174.900 0.018 0.000 1.347 118 G CA 0.473 45.607 45.100 0.057 0.000 1.039 118 G HN 0.766 nan 8.290 nan 0.000 0.523 119 G N -0.609 108.189 108.800 -0.003 0.000 2.611 119 G HA2 0.055 4.009 3.960 -0.010 0.000 0.301 119 G HA3 0.055 4.009 3.960 -0.010 0.000 0.301 119 G C 1.226 176.072 174.900 -0.090 0.000 1.233 119 G CA 0.810 45.876 45.100 -0.057 0.000 0.993 119 G HN 1.854 nan 8.290 nan 0.000 0.553 120 G N -0.265 108.427 108.800 -0.180 0.000 3.379 120 G HA2 0.348 4.302 3.960 -0.010 0.000 0.253 120 G HA3 0.348 4.302 3.960 -0.010 0.000 0.253 120 G C 0.882 175.701 174.900 -0.136 0.000 1.262 120 G CA 1.162 46.159 45.100 -0.171 0.000 0.959 120 G HN 1.536 nan 8.290 nan 0.000 0.524 121 c N 0.447 119.003 118.600 -0.073 0.000 2.334 121 c HA 0.022 4.586 4.570 -0.010 0.000 0.395 121 c C 1.752 175.839 174.090 -0.005 0.000 1.507 121 c CA 0.414 56.740 56.329 -0.004 0.000 1.494 121 c CB -0.144 42.395 42.510 0.047 0.000 2.509 121 c HN 0.725 nan 8.230 nan 0.000 0.599 122 Q N 2.756 122.558 119.800 0.003 0.000 2.392 122 Q HA 0.176 4.510 4.340 -0.010 0.000 0.219 122 Q C 0.721 176.723 176.000 0.003 0.000 0.895 122 Q CA 0.786 56.583 55.803 -0.011 0.000 0.929 122 Q CB 0.307 29.030 28.738 -0.026 0.000 1.077 122 Q HN 0.957 nan 8.270 nan 0.000 0.532 123 S N -2.075 113.641 115.700 0.027 0.000 2.643 123 S HA 0.642 5.106 4.470 -0.010 0.000 0.266 123 S C 0.024 174.665 174.600 0.067 0.000 1.130 123 S CA -0.423 57.789 58.200 0.019 0.000 0.817 123 S CB 1.146 64.329 63.200 -0.029 0.000 1.107 123 S HN 0.464 nan 8.310 nan 0.000 0.471 124 G N 0.918 109.765 108.800 0.079 0.000 2.593 124 G HA2 0.321 4.275 3.960 -0.010 0.000 0.237 124 G HA3 0.321 4.275 3.960 -0.010 0.000 0.237 124 G C 0.450 175.508 174.900 0.263 0.000 1.312 124 G CA -0.047 45.157 45.100 0.173 0.000 0.896 124 G HN 2.192 nan 8.290 nan 0.000 0.574 125 A N -0.492 122.430 122.820 0.169 0.000 2.958 125 A HA 0.472 4.785 4.320 -0.010 0.000 0.247 125 A C 1.171 178.797 177.584 0.071 0.000 1.679 125 A CA 0.912 53.000 52.037 0.084 0.000 1.345 125 A CB -1.345 17.678 19.000 0.040 0.000 1.013 125 A HN 1.537 nan 8.150 nan 0.000 0.641 126 c N 0.661 119.318 118.600 0.094 0.000 2.634 126 c HA 0.188 4.752 4.570 -0.010 0.000 0.417 126 c C 2.147 176.266 174.090 0.047 0.000 1.334 126 c CA 0.508 56.882 56.329 0.076 0.000 1.829 126 c CB 0.068 42.622 42.510 0.074 0.000 2.665 126 c HN 0.846 nan 8.230 nan 0.000 0.614 127 S N 0.386 116.114 115.700 0.048 0.000 2.558 127 S HA -0.087 4.377 4.470 -0.010 0.000 0.217 127 S C 1.379 175.997 174.600 0.031 0.000 0.975 127 S CA 0.774 58.996 58.200 0.035 0.000 0.912 127 S CB -0.604 62.621 63.200 0.042 0.000 0.776 127 S HN 0.938 nan 8.310 nan 0.000 0.526 128 T N -1.238 113.336 114.554 0.032 0.000 2.995 128 T HA 0.004 4.348 4.350 -0.010 0.000 0.269 128 T C 0.653 175.370 174.700 0.028 0.000 1.091 128 T CA 0.757 62.873 62.100 0.026 0.000 1.128 128 T CB -0.847 68.033 68.868 0.020 0.000 0.891 128 T HN 0.361 nan 8.240 nan 0.000 0.492 129 D N 0.580 120.999 120.400 0.031 0.000 2.708 129 D HA -0.127 4.507 4.640 -0.010 0.000 0.236 129 D C -0.667 175.659 176.300 0.044 0.000 1.146 129 D CA 0.372 54.394 54.000 0.036 0.000 0.662 129 D CB -1.595 39.227 40.800 0.037 0.000 1.059 129 D HN 0.419 nan 8.370 nan 0.000 0.428 130 K N 1.010 121.435 120.400 0.042 0.000 2.484 130 K HA 0.261 4.575 4.320 -0.010 0.000 0.280 130 K C -2.070 174.563 176.600 0.054 0.000 1.013 130 K CA -0.755 55.556 56.287 0.041 0.000 1.029 130 K CB 0.342 32.861 32.500 0.033 0.000 0.902 130 K HN 0.184 nan 8.250 nan 0.000 0.481 131 P HA 0.053 nan 4.420 nan 0.000 0.271 131 P C -0.692 176.647 177.300 0.064 0.000 1.233 131 P CA -0.567 62.573 63.100 0.067 0.000 0.789 131 P CB 0.513 32.248 31.700 0.059 0.000 0.951 132 c N -1.352 117.294 118.600 0.076 0.000 3.080 132 c HA 0.987 5.551 4.570 -0.010 0.000 0.307 132 c C 0.504 174.632 174.090 0.064 0.000 1.311 132 c CA 0.258 56.627 56.329 0.067 0.000 1.533 132 c CB 0.878 43.435 42.510 0.078 0.000 1.970 132 c HN 1.002 nan 8.230 nan 0.000 0.467 133 G N 1.750 110.580 108.800 0.049 0.000 2.545 133 G HA2 -0.114 3.840 3.960 -0.010 0.000 0.216 133 G HA3 -0.114 3.840 3.960 -0.010 0.000 0.216 133 G C 0.336 175.259 174.900 0.037 0.000 1.314 133 G CA 0.451 45.576 45.100 0.042 0.000 0.906 133 G HN 1.610 nan 8.290 nan 0.000 0.563 134 K N -0.488 119.932 120.400 0.034 0.000 2.211 134 K HA 0.015 4.328 4.320 -0.010 0.000 0.203 134 K C 1.172 177.792 176.600 0.034 0.000 1.050 134 K CA 2.010 58.315 56.287 0.030 0.000 0.945 134 K CB 0.116 32.630 32.500 0.024 0.000 0.732 134 K HN 0.316 nan 8.250 nan 0.000 0.451 135 D N 0.274 120.701 120.400 0.045 0.000 2.463 135 D HA 0.237 4.871 4.640 -0.010 0.000 0.224 135 D C -0.594 175.731 176.300 0.042 0.000 1.174 135 D CA -0.172 53.855 54.000 0.045 0.000 0.829 135 D CB 0.799 41.633 40.800 0.057 0.000 0.993 135 D HN 0.353 nan 8.370 nan 0.000 0.497 136 A N -0.550 122.293 122.820 0.039 0.000 2.843 136 A HA 0.578 4.892 4.320 -0.010 0.000 0.248 136 A C 1.229 178.829 177.584 0.027 0.000 0.904 136 A CA -0.065 51.993 52.037 0.035 0.000 1.091 136 A CB -0.219 18.807 19.000 0.044 0.000 1.208 136 A HN 0.201 nan 8.150 nan 0.000 0.476 137 G N -0.670 108.143 108.800 0.022 0.000 2.203 137 G HA2 0.089 4.043 3.960 -0.010 0.000 0.263 137 G HA3 0.089 4.043 3.960 -0.010 0.000 0.263 137 G C 1.614 176.524 174.900 0.016 0.000 1.012 137 G CA 1.039 46.149 45.100 0.017 0.000 0.749 137 G HN 2.331 nan 8.290 nan 0.000 0.512 138 G N -1.118 107.693 108.800 0.019 0.000 2.153 138 G HA2 -0.309 3.644 3.960 -0.010 0.000 0.252 138 G HA3 -0.309 3.644 3.960 -0.010 0.000 0.252 138 G C 0.452 175.363 174.900 0.018 0.000 0.994 138 G CA 1.257 46.367 45.100 0.017 0.000 0.698 138 G HN 1.350 nan 8.290 nan 0.000 0.521 139 R N 0.015 120.528 120.500 0.022 0.000 2.585 139 R HA 0.345 4.679 4.340 -0.010 0.000 0.275 139 R C 0.270 176.586 176.300 0.026 0.000 1.018 139 R CA 0.065 56.178 56.100 0.022 0.000 1.072 139 R CB 0.343 30.658 30.300 0.025 0.000 0.953 139 R HN 0.103 nan 8.270 nan 0.000 0.419 140 V N 5.196 125.122 119.914 0.020 0.000 2.481 140 V HA 0.177 4.291 4.120 -0.010 0.000 0.286 140 V C 0.436 176.546 176.094 0.027 0.000 1.042 140 V CA -0.897 61.415 62.300 0.021 0.000 0.928 140 V CB 1.390 33.217 31.823 0.006 0.000 0.986 140 V HN 0.903 nan 8.190 nan 0.000 0.462 141 c N 3.653 122.281 118.600 0.046 0.000 2.689 141 c HA 0.415 4.979 4.570 -0.010 0.000 0.409 141 c C 1.454 175.548 174.090 0.006 0.000 1.293 141 c CA -0.272 56.097 56.329 0.068 0.000 2.136 141 c CB 0.059 42.652 42.510 0.138 0.000 2.719 141 c HN 1.053 nan 8.230 nan 0.000 0.644 142 T N -0.296 114.245 114.554 -0.022 0.000 2.754 142 T HA 0.212 4.556 4.350 -0.010 0.000 0.286 142 T C 0.655 175.107 174.700 -0.413 0.000 0.997 142 T CA -0.216 61.796 62.100 -0.148 0.000 0.982 142 T CB 0.204 69.000 68.868 -0.120 0.000 1.027 142 T HN 0.819 nan 8.240 nan 0.000 0.529 143 N N 0.629 119.064 118.700 -0.441 0.000 2.753 143 N HA -0.267 4.467 4.740 -0.010 0.000 0.251 143 N C 0.344 175.571 175.510 -0.472 0.000 1.097 143 N CA 0.938 53.616 53.050 -0.620 0.000 0.786 143 N CB -1.326 36.392 38.487 -1.281 0.000 1.137 143 N HN 0.940 nan 8.380 nan 0.000 0.566 144 N N -1.017 117.530 118.700 -0.255 0.000 2.708 144 N HA -0.220 4.514 4.740 -0.010 0.000 0.251 144 N C -0.795 174.709 175.510 -0.009 0.000 1.123 144 N CA 1.022 54.009 53.050 -0.104 0.000 0.739 144 N CB -1.137 37.309 38.487 -0.068 0.000 1.113 144 N HN 0.397 nan 8.380 nan 0.000 0.561 145 Y N -0.035 120.248 120.300 -0.028 0.000 2.652 145 Y HA 0.052 4.595 4.550 -0.011 0.000 0.344 145 Y C 1.441 177.328 175.900 -0.020 0.000 1.254 145 Y CA -0.887 57.187 58.100 -0.044 0.000 1.480 145 Y CB 0.229 38.647 38.460 -0.070 0.000 1.345 145 Y HN 0.096 nan 8.280 nan 0.000 0.617 146 c N 2.432 121.130 118.600 0.162 0.000 2.514 146 c HA 0.245 4.808 4.570 -0.010 0.000 0.392 146 c C 0.657 174.837 174.090 0.151 0.000 1.294 146 c CA -1.288 55.119 56.329 0.129 0.000 1.957 146 c CB -0.218 42.375 42.510 0.139 0.000 2.541 146 c HN 0.910 nan 8.230 nan 0.000 0.569 147 c N 5.655 124.328 118.600 0.122 0.000 2.281 147 c HA 0.484 5.048 4.570 -0.010 0.000 0.336 147 c C 1.104 175.257 174.090 0.106 0.000 1.217 147 c CA -0.241 56.163 56.329 0.125 0.000 1.730 147 c CB -1.571 40.989 42.510 0.083 0.000 2.338 147 c HN 1.075 nan 8.230 nan 0.000 0.521 148 S N 4.962 120.753 115.700 0.153 0.000 2.596 148 S HA 0.114 4.578 4.470 -0.010 0.000 0.260 148 S C 1.310 175.863 174.600 -0.078 0.000 1.336 148 S CA 0.105 58.313 58.200 0.013 0.000 0.993 148 S CB 0.570 63.740 63.200 -0.050 0.000 0.923 148 S HN 0.922 nan 8.310 nan 0.000 0.567 149 K N -0.024 120.212 120.400 -0.274 0.000 2.281 149 K HA -0.124 4.189 4.320 -0.010 0.000 0.203 149 K C 1.134 177.596 176.600 -0.230 0.000 1.046 149 K CA 1.464 57.529 56.287 -0.370 0.000 0.938 149 K CB -0.409 31.690 32.500 -0.668 0.000 0.737 149 K HN 0.830 nan 8.250 nan 0.000 0.458 150 W N 0.769 122.056 121.300 -0.021 0.000 3.290 150 W HA 0.234 4.887 4.660 -0.011 0.000 0.287 150 W C 0.592 177.117 176.519 0.009 0.000 1.288 150 W CA -0.215 57.121 57.345 -0.016 0.000 1.725 150 W CB 0.631 30.068 29.460 -0.039 0.000 1.103 150 W HN 0.372 nan 8.180 nan 0.000 0.670 151 G N 1.256 110.183 108.800 0.212 0.000 2.165 151 G HA2 -0.224 3.730 3.960 -0.010 0.000 0.226 151 G HA3 -0.224 3.730 3.960 -0.010 0.000 0.226 151 G C -0.273 174.725 174.900 0.164 0.000 1.035 151 G CA 0.125 45.320 45.100 0.157 0.000 0.744 151 G HN 0.155 nan 8.290 nan 0.000 0.501 152 S N -1.517 114.308 115.700 0.208 0.000 2.542 152 S HA 0.707 5.170 4.470 -0.010 0.000 0.293 152 S C 0.410 175.188 174.600 0.296 0.000 1.089 152 S CA -0.151 58.191 58.200 0.237 0.000 0.961 152 S CB 1.419 64.788 63.200 0.283 0.000 1.062 152 S HN 0.805 nan 8.310 nan 0.000 0.483 153 c N 3.086 121.786 118.600 0.167 0.000 2.388 153 c HA 0.947 5.511 4.570 -0.010 0.000 0.362 153 c C 1.099 174.985 174.090 -0.339 0.000 1.266 153 c CA 0.176 56.530 56.329 0.041 0.000 2.028 153 c CB -0.197 42.350 42.510 0.062 0.000 2.440 153 c HN 1.092 nan 8.230 nan 0.000 0.547 154 G N 2.005 110.443 108.800 -0.604 0.000 2.341 154 G HA2 0.575 4.529 3.960 -0.010 0.000 0.299 154 G HA3 0.575 4.529 3.960 -0.010 0.000 0.299 154 G C -1.917 172.542 174.900 -0.735 0.000 1.274 154 G CA -0.507 43.854 45.100 -1.232 0.000 0.853 154 G HN 0.602 nan 8.290 nan 0.000 0.493 155 I N 0.449 120.643 120.570 -0.626 0.000 2.569 155 I HA 0.712 4.875 4.170 -0.010 0.000 0.290 155 I C 0.303 176.420 176.117 -0.000 0.000 1.088 155 I CA -0.160 61.038 61.300 -0.171 0.000 1.047 155 I CB 2.088 40.018 38.000 -0.117 0.000 1.237 155 I HN 1.405 nan 8.210 nan 0.000 0.421 156 G N 5.515 114.403 108.800 0.147 0.000 2.333 156 G HA2 0.073 4.027 3.960 -0.010 0.000 0.330 156 G HA3 0.073 4.027 3.960 -0.010 0.000 0.330 156 G C -2.970 172.031 174.900 0.170 0.000 1.465 156 G CA -0.781 44.425 45.100 0.176 0.000 0.996 156 G HN 0.332 nan 8.290 nan 0.000 0.655 157 P HA -0.035 nan 4.420 nan 0.000 0.216 157 P C 2.034 179.327 177.300 -0.011 0.000 1.150 157 P CA 2.060 65.180 63.100 0.034 0.000 0.843 157 P CB 0.072 31.781 31.700 0.014 0.000 0.787 158 G N -2.091 106.675 108.800 -0.056 0.000 2.443 158 G HA2 -0.234 3.720 3.960 -0.010 0.000 0.219 158 G HA3 -0.234 3.720 3.960 -0.010 0.000 0.219 158 G C 1.008 175.707 174.900 -0.336 0.000 1.131 158 G CA 0.572 45.535 45.100 -0.228 0.000 0.775 158 G HN 0.269 nan 8.290 nan 0.000 0.547 159 Y N -0.681 119.605 120.300 -0.023 0.000 2.343 159 Y HA 0.129 4.673 4.550 -0.010 0.000 0.294 159 Y C 2.693 178.575 175.900 -0.031 0.000 1.122 159 Y CA 0.402 58.487 58.100 -0.025 0.000 1.173 159 Y CB -0.110 38.343 38.460 -0.011 0.000 1.077 159 Y HN 0.172 nan 8.280 nan 0.000 0.542 160 c N -0.338 118.344 118.600 0.138 0.000 2.780 160 c HA 0.415 4.979 4.570 -0.010 0.000 0.267 160 c C 1.923 176.024 174.090 0.019 0.000 1.266 160 c CA 0.034 56.408 56.329 0.075 0.000 1.709 160 c CB -1.251 41.305 42.510 0.077 0.000 1.975 160 c HN 0.557 nan 8.230 nan 0.000 0.582 161 G N 0.525 109.320 108.800 -0.009 0.000 2.624 161 G HA2 0.481 4.434 3.960 -0.010 0.000 0.217 161 G HA3 0.481 4.434 3.960 -0.010 0.000 0.217 161 G C 0.180 175.041 174.900 -0.064 0.000 1.506 161 G CA 0.364 45.443 45.100 -0.035 0.000 1.072 161 G HN 0.545 nan 8.290 nan 0.000 0.568 162 A N -1.595 121.176 122.820 -0.080 0.000 2.567 162 A HA 0.464 4.778 4.320 -0.010 0.000 0.240 162 A C 1.623 179.118 177.584 -0.148 0.000 1.053 162 A CA 1.447 53.425 52.037 -0.098 0.000 0.755 162 A CB -0.730 18.212 19.000 -0.096 0.000 0.978 162 A HN 2.512 nan 8.150 nan 0.000 0.507 163 G N 0.541 109.263 108.800 -0.131 0.000 2.179 163 G HA2 -0.268 3.686 3.960 -0.010 0.000 0.260 163 G HA3 -0.268 3.686 3.960 -0.010 0.000 0.260 163 G C 0.787 175.608 174.900 -0.132 0.000 0.977 163 G CA 0.449 45.453 45.100 -0.160 0.000 0.641 163 G HN 1.923 nan 8.290 nan 0.000 0.533 164 c N 1.020 119.565 118.600 -0.092 0.000 2.538 164 c HA 0.406 4.969 4.570 -0.010 0.000 0.408 164 c C 1.997 176.070 174.090 -0.028 0.000 1.421 164 c CA 1.145 57.448 56.329 -0.044 0.000 1.642 164 c CB 0.129 42.632 42.510 -0.011 0.000 2.553 164 c HN 0.638 nan 8.230 nan 0.000 0.604 165 Q N 2.644 122.439 119.800 -0.009 0.000 2.373 165 Q HA 0.166 4.500 4.340 -0.010 0.000 0.210 165 Q C 0.665 176.670 176.000 0.009 0.000 0.913 165 Q CA 0.809 56.610 55.803 -0.003 0.000 0.911 165 Q CB 0.263 29.005 28.738 0.006 0.000 1.040 165 Q HN 0.947 nan 8.270 nan 0.000 0.521 166 S N -2.053 113.659 115.700 0.021 0.000 2.627 166 S HA 0.626 5.089 4.470 -0.010 0.000 0.268 166 S C -0.068 174.552 174.600 0.033 0.000 1.130 166 S CA -0.460 57.753 58.200 0.022 0.000 0.819 166 S CB 1.239 64.452 63.200 0.022 0.000 1.100 166 S HN 0.483 nan 8.310 nan 0.000 0.465 167 G N 0.298 109.113 108.800 0.025 0.000 2.632 167 G HA2 0.286 4.240 3.960 -0.010 0.000 0.224 167 G HA3 0.286 4.240 3.960 -0.010 0.000 0.224 167 G C 0.461 175.378 174.900 0.028 0.000 1.341 167 G CA 0.046 45.164 45.100 0.029 0.000 0.880 167 G HN 2.155 nan 8.290 nan 0.000 0.566 168 G N -0.320 108.504 108.800 0.039 0.000 3.353 168 G HA2 0.400 4.354 3.960 -0.010 0.000 0.247 168 G HA3 0.400 4.354 3.960 -0.010 0.000 0.247 168 G C 0.829 175.751 174.900 0.036 0.000 1.025 168 G CA 0.803 45.923 45.100 0.033 0.000 1.863 168 G HN 1.107 nan 8.290 nan 0.000 0.635 169 c N 0.955 119.572 118.600 0.029 0.000 2.703 169 c HA 0.105 4.669 4.570 -0.010 0.000 0.411 169 c C 0.937 175.036 174.090 0.015 0.000 1.290 169 c CA -1.012 55.331 56.329 0.024 0.000 2.054 169 c CB 0.369 42.886 42.510 0.012 0.000 2.732 169 c HN 0.588 nan 8.230 nan 0.000 0.650 170 D N 0.000 120.408 120.400 0.013 0.000 6.856 170 D HA 0.000 4.634 4.640 -0.010 0.000 0.175 170 D CA 0.000 54.004 54.000 0.006 0.000 0.868 170 D CB 0.000 40.801 40.800 0.001 0.000 0.688 170 D HN 0.000 nan 8.370 nan 0.000 0.683