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 3pgv_1_B DATA FIRST_RESID 2 DATA SEQUENCE YQVVASDLDG TLLSPDHFLT PYAKETLKLL TARGINFVFA TGRHYIDVGQ DATA SEQUENCE IRDNLGIRSY XITSNGARVH DSDGQQIFAH NLDRDIAADL FEIVRNDPKI DATA SEQUENCE VTNVYREDEW YXNRHRPXXX XXXXXXVFNY KLYEPGELDP QGISKVFFTC DATA SEQUENCE EDHEHLLPLE QAXNARWGDR VNVSFSTLTC LEVXAGGVSK GHALEAVAKX DATA SEQUENCE LGYTLSDCIA FGDGXNDAEX LSXAGKGCIX ANAHQRLKDL HPELEVIGSN DATA SEQUENCE ADDAVPRYLR KLYLD 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 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.892 175.900 -0.013 0.000 1.272 2 Y CA 0.000 58.100 58.100 0.001 0.000 1.940 2 Y CB 0.000 38.477 38.460 0.028 0.000 1.050 3 Q N 0.995 120.734 119.800 -0.103 0.000 2.297 3 Q HA 0.100 4.440 4.340 -0.001 0.000 0.204 3 Q C 0.028 175.792 176.000 -0.392 0.000 0.962 3 Q CA 0.690 56.291 55.803 -0.336 0.000 0.879 3 Q CB 0.512 28.778 28.738 -0.786 0.000 0.947 3 Q HN 0.352 nan 8.270 nan 0.000 0.462 4 V N 0.968 120.703 119.914 -0.298 0.000 2.487 4 V HA 0.309 4.428 4.120 -0.001 0.000 0.298 4 V C -0.289 175.670 176.094 -0.224 0.000 1.028 4 V CA -0.706 61.431 62.300 -0.272 0.000 0.860 4 V CB 2.146 33.851 31.823 -0.196 0.000 0.991 4 V HN -0.264 nan 8.190 nan 0.000 0.427 5 V N 4.296 123.979 119.914 -0.385 0.000 2.347 5 V HA 0.765 4.884 4.120 -0.001 0.000 0.280 5 V C 0.418 176.407 176.094 -0.176 0.000 1.021 5 V CA -0.376 61.759 62.300 -0.275 0.000 0.847 5 V CB 1.523 33.055 31.823 -0.486 0.000 0.990 5 V HN 0.983 nan 8.190 nan 0.000 0.444 6 A N 3.930 126.729 122.820 -0.036 0.000 2.318 6 A HA 0.858 5.177 4.320 -0.001 0.000 0.324 6 A C -0.174 177.503 177.584 0.156 0.000 1.170 6 A CA -0.448 51.581 52.037 -0.012 0.000 0.810 6 A CB 1.580 20.555 19.000 -0.041 0.000 1.198 6 A HN 0.739 nan 8.150 nan 0.000 0.484 7 S N 1.181 116.985 115.700 0.174 0.000 2.548 7 S HA 0.461 4.931 4.470 -0.001 0.000 0.276 7 S C -0.942 173.825 174.600 0.278 0.000 1.129 7 S CA -0.629 57.752 58.200 0.301 0.000 0.931 7 S CB 1.233 64.649 63.200 0.361 0.000 1.068 7 S HN 0.889 nan 8.310 nan 0.000 0.480 8 D N 2.573 123.100 120.400 0.212 0.000 2.361 8 D HA 0.247 4.887 4.640 -0.001 0.000 0.239 8 D C 0.997 177.392 176.300 0.158 0.000 1.200 8 D CA 0.069 54.169 54.000 0.166 0.000 0.915 8 D CB 0.553 41.428 40.800 0.125 0.000 1.170 8 D HN 0.481 nan 8.370 nan 0.000 0.444 9 L N 0.326 121.615 121.223 0.110 0.000 2.471 9 L HA 0.181 4.520 4.340 -0.001 0.000 0.186 9 L C 0.522 177.407 176.870 0.025 0.000 1.191 9 L CA -0.125 54.748 54.840 0.055 0.000 0.835 9 L CB -0.252 41.819 42.059 0.020 0.000 1.092 9 L HN 0.368 nan 8.230 nan 0.000 0.495 10 D N 1.217 121.636 120.400 0.032 0.000 2.434 10 D HA 0.149 4.789 4.640 -0.001 0.000 0.252 10 D C 0.941 177.245 176.300 0.006 0.000 1.185 10 D CA 1.286 55.298 54.000 0.020 0.000 0.886 10 D CB 1.082 41.926 40.800 0.073 0.000 1.148 10 D HN 0.555 nan 8.370 nan 0.000 0.483 11 G N 2.372 111.141 108.800 -0.053 0.000 2.184 11 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.264 11 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.264 11 G C 0.920 175.811 174.900 -0.015 0.000 0.975 11 G CA 0.928 46.000 45.100 -0.046 0.000 0.642 11 G HN 0.557 nan 8.290 nan 0.000 0.536 12 T N -0.726 113.830 114.554 0.004 0.000 3.463 12 T HA 0.336 4.685 4.350 -0.001 0.000 0.203 12 T C 1.861 176.562 174.700 0.002 0.000 0.955 12 T CA 0.776 62.895 62.100 0.030 0.000 1.230 12 T CB -0.332 68.587 68.868 0.085 0.000 1.392 12 T HN 0.351 nan 8.240 nan 0.000 0.361 13 L N 1.077 122.308 121.223 0.014 0.000 2.131 13 L HA 0.393 4.733 4.340 -0.001 0.000 0.206 13 L C 0.390 177.243 176.870 -0.028 0.000 1.087 13 L CA 1.225 56.059 54.840 -0.009 0.000 0.767 13 L CB -0.707 41.368 42.059 0.026 0.000 0.917 13 L HN 0.215 nan 8.230 nan 0.000 0.441 14 L N 0.345 121.545 121.223 -0.038 0.000 2.439 14 L HA 0.193 4.532 4.340 -0.001 0.000 0.269 14 L C 1.018 177.842 176.870 -0.076 0.000 1.179 14 L CA -0.207 54.600 54.840 -0.054 0.000 0.828 14 L CB 0.606 42.625 42.059 -0.067 0.000 1.106 14 L HN 0.271 nan 8.230 nan 0.000 0.467 15 S N 1.929 117.594 115.700 -0.057 0.000 2.596 15 S HA 0.149 4.619 4.470 -0.001 0.000 0.260 15 S C -1.815 172.676 174.600 -0.182 0.000 1.336 15 S CA -1.011 57.150 58.200 -0.066 0.000 0.993 15 S CB 0.481 63.694 63.200 0.022 0.000 0.923 15 S HN 0.458 nan 8.310 nan 0.000 0.567 16 P HA -0.028 nan 4.420 nan 0.000 0.221 16 P C 0.215 177.312 177.300 -0.339 0.000 1.145 16 P CA 1.076 64.038 63.100 -0.231 0.000 0.795 16 P CB -0.054 31.574 31.700 -0.119 0.000 0.775 17 D N -2.008 118.247 120.400 -0.242 0.000 2.358 17 D HA 0.042 4.682 4.640 -0.001 0.000 0.224 17 D C -0.105 175.851 176.300 -0.574 0.000 1.123 17 D CA 0.084 53.934 54.000 -0.250 0.000 0.833 17 D CB -0.553 40.231 40.800 -0.027 0.000 0.946 17 D HN 0.265 nan 8.370 nan 0.000 0.505 18 H N -1.664 117.144 119.070 -0.437 0.000 2.936 18 H HA -0.193 4.362 4.556 -0.001 0.000 0.276 18 H C -0.612 174.443 175.328 -0.455 0.000 1.216 18 H CA 0.474 56.272 56.048 -0.417 0.000 1.132 18 H CB -2.479 27.048 29.762 -0.391 0.000 1.303 18 H HN 0.105 nan 8.280 nan 0.000 0.370 19 F N -0.339 119.625 119.950 0.024 0.000 2.556 19 F HA 0.479 5.006 4.527 -0.000 0.000 0.327 19 F C 0.326 176.103 175.800 -0.039 0.000 1.059 19 F CA -1.469 56.527 58.000 -0.006 0.000 0.953 19 F CB 1.000 39.997 39.000 -0.004 0.000 1.227 19 F HN -0.013 nan 8.300 nan 0.000 0.478 20 L N 2.548 123.867 121.223 0.159 0.000 2.255 20 L HA 0.394 4.733 4.340 -0.001 0.000 0.289 20 L C 0.426 177.320 176.870 0.041 0.000 1.046 20 L CA -0.259 54.602 54.840 0.036 0.000 0.816 20 L CB 0.123 42.151 42.059 -0.052 0.000 1.197 20 L HN 0.765 nan 8.230 nan 0.000 0.427 21 T N 2.751 117.336 114.554 0.052 0.000 2.900 21 T HA 0.237 4.587 4.350 -0.001 0.000 0.307 21 T C -1.755 172.965 174.700 0.033 0.000 1.065 21 T CA -1.137 60.995 62.100 0.053 0.000 1.105 21 T CB 0.629 69.546 68.868 0.082 0.000 0.979 21 T HN 0.493 nan 8.240 nan 0.000 0.544 22 P HA -0.097 nan 4.420 nan 0.000 0.218 22 P C 1.126 178.442 177.300 0.026 0.000 1.148 22 P CA 0.887 63.992 63.100 0.007 0.000 0.822 22 P CB -0.194 31.510 31.700 0.006 0.000 0.784 23 Y N 0.752 121.033 120.300 -0.032 0.000 2.181 23 Y HA -0.202 4.347 4.550 -0.001 0.000 0.288 23 Y C 2.382 178.262 175.900 -0.033 0.000 1.146 23 Y CA 1.889 59.974 58.100 -0.025 0.000 1.164 23 Y CB -0.895 37.556 38.460 -0.015 0.000 0.982 23 Y HN -0.107 nan 8.280 nan 0.000 0.515 24 A N 0.227 123.112 122.820 0.109 0.000 1.898 24 A HA -0.192 4.128 4.320 -0.001 0.000 0.216 24 A C 2.279 179.794 177.584 -0.116 0.000 1.181 24 A CA 1.816 53.856 52.037 0.004 0.000 0.620 24 A CB -0.751 18.266 19.000 0.028 0.000 0.819 24 A HN 0.509 nan 8.150 nan 0.000 0.442 25 K N -0.498 119.838 120.400 -0.106 0.000 2.057 25 K HA -0.230 4.090 4.320 -0.001 0.000 0.207 25 K C 2.013 178.519 176.600 -0.157 0.000 1.049 25 K CA 1.789 57.993 56.287 -0.138 0.000 0.931 25 K CB -0.102 32.335 32.500 -0.105 0.000 0.714 25 K HN 0.397 nan 8.250 nan 0.000 0.440 26 E N 0.009 120.112 120.200 -0.162 0.000 2.106 26 E HA -0.110 4.240 4.350 -0.001 0.000 0.192 26 E C 1.541 178.018 176.600 -0.206 0.000 0.984 26 E CA 1.817 58.112 56.400 -0.175 0.000 0.806 26 E CB -0.194 29.396 29.700 -0.184 0.000 0.750 26 E HN 0.290 nan 8.360 nan 0.000 0.458 27 T N 0.947 115.341 114.554 -0.267 0.000 2.746 27 T HA -0.090 4.259 4.350 -0.001 0.000 0.267 27 T C 1.815 176.424 174.700 -0.152 0.000 1.039 27 T CA 1.257 63.230 62.100 -0.211 0.000 1.142 27 T CB -0.212 68.532 68.868 -0.206 0.000 0.866 27 T HN 0.139 nan 8.240 nan 0.000 0.444 28 L N 0.409 121.476 121.223 -0.259 0.000 2.046 28 L HA -0.091 4.248 4.340 -0.001 0.000 0.208 28 L C 2.737 179.466 176.870 -0.234 0.000 1.077 28 L CA 1.392 55.949 54.840 -0.472 0.000 0.747 28 L CB -0.524 41.213 42.059 -0.536 0.000 0.896 28 L HN 0.205 nan 8.230 nan 0.000 0.432 29 K N 0.257 120.567 120.400 -0.150 0.000 2.057 29 K HA -0.139 4.180 4.320 -0.001 0.000 0.207 29 K C 2.149 178.727 176.600 -0.038 0.000 1.049 29 K CA 1.204 57.444 56.287 -0.078 0.000 0.931 29 K CB -0.181 32.273 32.500 -0.077 0.000 0.714 29 K HN 0.227 nan 8.250 nan 0.000 0.440 30 L N 0.484 121.678 121.223 -0.048 0.000 2.046 30 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 30 L C 2.138 179.016 176.870 0.013 0.000 1.077 30 L CA 0.761 55.589 54.840 -0.021 0.000 0.747 30 L CB -0.260 41.777 42.059 -0.038 0.000 0.896 30 L HN 0.103 nan 8.230 nan 0.000 0.432 31 L N -1.130 120.117 121.223 0.041 0.000 2.179 31 L HA -0.093 4.247 4.340 -0.001 0.000 0.208 31 L C 2.530 179.460 176.870 0.100 0.000 1.096 31 L CA 1.600 56.468 54.840 0.046 0.000 0.779 31 L CB -0.962 41.144 42.059 0.077 0.000 0.922 31 L HN 0.122 nan 8.230 nan 0.000 0.443 32 T N -0.441 114.213 114.554 0.168 0.000 2.746 32 T HA -0.174 4.176 4.350 -0.001 0.000 0.267 32 T C 1.940 176.680 174.700 0.067 0.000 1.039 32 T CA 1.307 63.491 62.100 0.140 0.000 1.142 32 T CB -0.269 68.665 68.868 0.110 0.000 0.866 32 T HN 0.397 nan 8.240 nan 0.000 0.444 33 A N 1.174 124.018 122.820 0.041 0.000 2.070 33 A HA -0.030 4.290 4.320 -0.001 0.000 0.220 33 A C 2.124 179.727 177.584 0.030 0.000 1.159 33 A CA 1.112 53.166 52.037 0.028 0.000 0.656 33 A CB -0.315 18.694 19.000 0.015 0.000 0.800 33 A HN 0.390 nan 8.150 nan 0.000 0.453 34 R N -1.560 118.959 120.500 0.032 0.000 2.466 34 R HA 0.290 4.630 4.340 -0.001 0.000 0.279 34 R C 1.087 177.406 176.300 0.031 0.000 0.976 34 R CA 0.531 56.652 56.100 0.034 0.000 1.081 34 R CB 0.093 30.418 30.300 0.042 0.000 1.215 34 R HN 0.602 nan 8.270 nan 0.000 0.546 35 G N 0.769 109.589 108.800 0.032 0.000 2.159 35 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.256 35 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.256 35 G C 0.158 175.062 174.900 0.006 0.000 0.977 35 G CA -0.356 44.766 45.100 0.036 0.000 0.652 35 G HN 0.141 nan 8.290 nan 0.000 0.531 36 I N 1.404 121.947 120.570 -0.045 0.000 2.529 36 I HA 0.234 4.404 4.170 -0.001 0.000 0.284 36 I C 0.388 176.409 176.117 -0.160 0.000 1.082 36 I CA -0.719 60.470 61.300 -0.185 0.000 1.406 36 I CB 0.472 38.227 38.000 -0.409 0.000 1.405 36 I HN 0.087 nan 8.210 nan 0.000 0.548 37 N N 5.665 124.220 118.700 -0.242 0.000 2.473 37 N HA 0.440 5.180 4.740 -0.001 0.000 0.291 37 N C -1.093 174.198 175.510 -0.364 0.000 1.083 37 N CA -0.260 52.711 53.050 -0.132 0.000 0.951 37 N CB 1.746 40.219 38.487 -0.022 0.000 1.164 37 N HN 0.256 nan 8.380 nan 0.000 0.480 38 F N 0.484 120.365 119.950 -0.116 0.000 2.495 38 F HA 0.425 4.952 4.527 -0.001 0.000 0.327 38 F C 0.093 175.643 175.800 -0.418 0.000 1.103 38 F CA -0.798 57.011 58.000 -0.319 0.000 0.949 38 F CB 1.692 40.476 39.000 -0.360 0.000 1.142 38 F HN -0.005 nan 8.300 nan 0.000 0.457 39 V N 4.108 123.785 119.914 -0.396 0.000 2.483 39 V HA 0.402 4.522 4.120 -0.001 0.000 0.297 39 V C -0.943 174.876 176.094 -0.458 0.000 1.027 39 V CA -0.914 61.215 62.300 -0.285 0.000 0.855 39 V CB 1.391 33.164 31.823 -0.083 0.000 0.995 39 V HN 0.433 nan 8.190 nan 0.000 0.424 40 F N 2.928 122.972 119.950 0.157 0.000 2.420 40 F HA 0.802 5.329 4.527 -0.001 0.000 0.342 40 F C 0.519 176.375 175.800 0.094 0.000 1.113 40 F CA -0.721 57.349 58.000 0.117 0.000 1.059 40 F CB 1.819 40.870 39.000 0.085 0.000 1.128 40 F HN 0.536 nan 8.300 nan 0.000 0.475 41 A N 2.342 125.302 122.820 0.234 0.000 2.311 41 A HA 0.708 5.027 4.320 -0.001 0.000 0.306 41 A C -0.432 177.231 177.584 0.132 0.000 1.189 41 A CA -0.522 51.605 52.037 0.151 0.000 0.791 41 A CB 1.350 20.416 19.000 0.110 0.000 1.172 41 A HN 0.691 nan 8.150 nan 0.000 0.481 42 T N 0.576 115.192 114.554 0.104 0.000 2.883 42 T HA 0.566 4.916 4.350 -0.001 0.000 0.296 42 T C 1.146 175.878 174.700 0.053 0.000 1.117 42 T CA 0.381 62.525 62.100 0.073 0.000 1.006 42 T CB 1.496 70.395 68.868 0.052 0.000 1.191 42 T HN 0.961 nan 8.240 nan 0.000 0.508 43 G N 1.401 110.219 108.800 0.030 0.000 2.623 43 G HA2 0.104 4.064 3.960 -0.001 0.000 0.214 43 G HA3 0.104 4.064 3.960 -0.001 0.000 0.214 43 G C 0.702 175.605 174.900 0.005 0.000 1.138 43 G CA -0.020 45.081 45.100 0.002 0.000 0.794 43 G HN 0.663 nan 8.290 nan 0.000 0.535 44 R N 0.037 120.541 120.500 0.005 0.000 2.784 44 R HA 0.100 4.440 4.340 -0.001 0.000 0.266 44 R C 0.071 176.382 176.300 0.019 0.000 1.044 44 R CA -0.420 55.687 56.100 0.011 0.000 1.151 44 R CB 0.237 30.510 30.300 -0.044 0.000 1.037 44 R HN 0.261 nan 8.270 nan 0.000 0.478 45 H N 1.070 120.028 119.070 -0.186 0.000 2.629 45 H HA -0.083 4.473 4.556 -0.001 0.000 0.357 45 H C 0.561 175.679 175.328 -0.350 0.000 1.121 45 H CA 0.206 56.014 56.048 -0.400 0.000 1.406 45 H CB 0.657 29.823 29.762 -0.992 0.000 1.456 45 H HN 0.585 nan 8.280 nan 0.000 0.579 46 Y N 4.123 124.042 120.300 -0.634 0.000 2.151 46 Y HA -0.227 4.323 4.550 -0.001 0.000 0.284 46 Y C 2.256 177.959 175.900 -0.329 0.000 1.166 46 Y CA 1.923 59.741 58.100 -0.470 0.000 1.163 46 Y CB -0.283 37.775 38.460 -0.671 0.000 0.974 46 Y HN 0.645 nan 8.280 nan 0.000 0.511 47 I N -0.218 120.221 120.570 -0.218 0.000 2.454 47 I HA -0.274 3.896 4.170 -0.001 0.000 0.254 47 I C 1.722 177.547 176.117 -0.487 0.000 1.156 47 I CA 1.722 62.788 61.300 -0.391 0.000 1.433 47 I CB -0.347 37.366 38.000 -0.478 0.000 1.082 47 I HN 0.163 nan 8.210 nan 0.000 0.432 48 D N 0.022 120.098 120.400 -0.539 0.000 2.347 48 D HA -0.045 4.595 4.640 -0.001 0.000 0.213 48 D C 1.703 177.850 176.300 -0.255 0.000 0.985 48 D CA 0.585 54.369 54.000 -0.361 0.000 0.879 48 D CB 0.326 40.944 40.800 -0.303 0.000 0.919 48 D HN 0.262 nan 8.370 nan 0.000 0.526 49 V N -3.021 116.700 119.914 -0.321 0.000 3.444 49 V HA 0.460 4.580 4.120 -0.001 0.000 0.308 49 V C 1.891 177.791 176.094 -0.323 0.000 1.371 49 V CA 0.358 62.492 62.300 -0.277 0.000 1.141 49 V CB 0.041 31.721 31.823 -0.239 0.000 1.037 49 V HN 0.023 nan 8.190 nan 0.000 0.433 50 G N 0.631 109.224 108.800 -0.346 0.000 2.491 50 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.218 50 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.218 50 G C 1.365 176.147 174.900 -0.197 0.000 1.180 50 G CA 1.291 46.208 45.100 -0.306 0.000 0.774 50 G HN 0.560 nan 8.290 nan 0.000 0.562 51 Q N -0.336 119.379 119.800 -0.141 0.000 2.167 51 Q HA 0.007 4.347 4.340 -0.001 0.000 0.202 51 Q C 2.578 178.520 176.000 -0.097 0.000 0.970 51 Q CA 0.721 56.468 55.803 -0.092 0.000 0.855 51 Q CB -0.138 28.572 28.738 -0.047 0.000 0.911 51 Q HN 0.618 nan 8.270 nan 0.000 0.438 52 I N 0.707 121.203 120.570 -0.124 0.000 2.193 52 I HA -0.296 3.874 4.170 -0.001 0.000 0.240 52 I C 2.491 178.502 176.117 -0.177 0.000 1.084 52 I CA 1.393 62.608 61.300 -0.142 0.000 1.365 52 I CB -0.326 37.582 38.000 -0.154 0.000 1.064 52 I HN 0.214 nan 8.210 nan 0.000 0.410 53 R N 0.604 120.992 120.500 -0.186 0.000 2.152 53 R HA -0.133 4.207 4.340 -0.001 0.000 0.232 53 R C 1.207 177.434 176.300 -0.121 0.000 1.117 53 R CA 1.523 57.529 56.100 -0.157 0.000 0.981 53 R CB -0.686 29.528 30.300 -0.144 0.000 0.870 53 R HN 0.269 nan 8.270 nan 0.000 0.451 54 D N 0.692 121.021 120.400 -0.118 0.000 2.312 54 D HA -0.056 4.583 4.640 -0.001 0.000 0.211 54 D C 0.703 176.953 176.300 -0.083 0.000 0.964 54 D CA 0.755 54.702 54.000 -0.088 0.000 0.877 54 D CB -0.060 40.691 40.800 -0.081 0.000 0.924 54 D HN 0.314 nan 8.370 nan 0.000 0.515 55 N N -0.193 118.447 118.700 -0.100 0.000 2.184 55 N HA 0.128 4.868 4.740 -0.001 0.000 0.206 55 N C 1.682 177.117 175.510 -0.125 0.000 1.151 55 N CA -0.081 52.911 53.050 -0.096 0.000 0.878 55 N CB 0.885 39.324 38.487 -0.080 0.000 1.014 55 N HN 0.193 nan 8.380 nan 0.000 0.512 56 L N 0.088 121.219 121.223 -0.153 0.000 2.093 56 L HA -0.036 4.303 4.340 -0.001 0.000 0.208 56 L C 1.636 178.423 176.870 -0.138 0.000 1.085 56 L CA 1.342 56.065 54.840 -0.195 0.000 0.755 56 L CB -0.393 41.537 42.059 -0.214 0.000 0.904 56 L HN 0.272 nan 8.230 nan 0.000 0.435 57 G N 0.574 109.317 108.800 -0.095 0.000 2.184 57 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.264 57 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.264 57 G C 0.291 175.158 174.900 -0.055 0.000 0.975 57 G CA 0.563 45.619 45.100 -0.073 0.000 0.642 57 G HN 0.485 nan 8.290 nan 0.000 0.536 58 I N -3.569 116.976 120.570 -0.040 0.000 2.934 58 I HA 0.812 4.982 4.170 -0.001 0.000 0.306 58 I C -0.079 176.060 176.117 0.035 0.000 1.110 58 I CA -1.872 59.427 61.300 -0.001 0.000 1.019 58 I CB 1.562 39.559 38.000 -0.005 0.000 1.227 58 I HN -0.078 nan 8.210 nan 0.000 0.434 59 R N 2.682 123.206 120.500 0.039 0.000 2.234 59 R HA 0.573 4.913 4.340 -0.001 0.000 0.324 59 R C -0.573 175.763 176.300 0.059 0.000 1.054 59 R CA -0.212 55.905 56.100 0.028 0.000 0.912 59 R CB 1.202 31.498 30.300 -0.007 0.000 1.030 59 R HN 0.914 nan 8.270 nan 0.000 0.455 60 S N 1.776 117.517 115.700 0.070 0.000 2.579 60 S HA 0.399 4.869 4.470 -0.001 0.000 0.272 60 S C -0.968 173.666 174.600 0.057 0.000 1.141 60 S CA -0.997 57.272 58.200 0.114 0.000 0.843 60 S CB 0.816 64.193 63.200 0.295 0.000 1.122 60 S HN 0.393 nan 8.310 nan 0.000 0.468 64 T N -0.109 114.484 114.554 0.065 0.000 2.910 64 T HA 0.579 4.929 4.350 -0.001 0.000 0.287 64 T C 0.438 175.168 174.700 0.051 0.000 1.050 64 T CA -0.565 61.564 62.100 0.049 0.000 1.011 64 T CB 1.830 70.710 68.868 0.020 0.000 1.195 64 T HN 0.534 nan 8.240 nan 0.000 0.540 65 S N 1.900 117.639 115.700 0.065 0.000 3.549 65 S HA -0.192 4.278 4.470 -0.001 0.000 0.366 65 S C 0.435 175.095 174.600 0.100 0.000 1.012 65 S CA 0.708 58.981 58.200 0.121 0.000 1.141 65 S CB -2.059 61.243 63.200 0.171 0.000 0.910 65 S HN 0.938 nan 8.310 nan 0.000 0.471 66 N N -1.065 117.684 118.700 0.081 0.000 2.735 66 N HA -0.251 4.489 4.740 -0.001 0.000 0.248 66 N C 0.842 176.424 175.510 0.121 0.000 1.083 66 N CA 1.705 54.808 53.050 0.089 0.000 0.703 66 N CB -1.645 36.886 38.487 0.073 0.000 1.005 66 N HN 1.495 nan 8.380 nan 0.000 0.550 67 G N -1.840 107.040 108.800 0.134 0.000 2.176 67 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.232 67 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.232 67 G C 0.986 176.046 174.900 0.266 0.000 0.986 67 G CA 0.846 46.063 45.100 0.196 0.000 0.643 67 G HN 0.974 nan 8.290 nan 0.000 0.522 68 A N -0.585 122.352 122.820 0.195 0.000 2.066 68 A HA 0.386 4.705 4.320 -0.001 0.000 0.218 68 A C 1.467 179.153 177.584 0.171 0.000 1.157 68 A CA 1.369 53.532 52.037 0.210 0.000 0.670 68 A CB 0.006 19.103 19.000 0.162 0.000 0.804 68 A HN 0.349 nan 8.150 nan 0.000 0.453 69 R N -1.406 119.120 120.500 0.044 0.000 2.744 69 R HA 0.648 4.987 4.340 -0.001 0.000 0.279 69 R C -1.806 174.256 176.300 -0.398 0.000 0.977 69 R CA -0.479 55.517 56.100 -0.173 0.000 0.906 69 R CB 1.867 32.124 30.300 -0.072 0.000 1.197 69 R HN -0.032 nan 8.270 nan 0.000 0.463 70 V N 2.744 122.175 119.914 -0.805 0.000 2.686 70 V HA 0.364 4.483 4.120 -0.001 0.000 0.306 70 V C -1.091 174.681 176.094 -0.535 0.000 1.065 70 V CA -0.803 61.102 62.300 -0.658 0.000 0.894 70 V CB 2.063 33.270 31.823 -1.027 0.000 1.004 70 V HN 0.701 nan 8.190 nan 0.000 0.424 71 H N 1.810 120.712 119.070 -0.281 0.000 2.569 71 H HA 0.597 5.152 4.556 -0.001 0.000 0.357 71 H C -0.459 174.843 175.328 -0.043 0.000 1.153 71 H CA -0.782 55.105 56.048 -0.269 0.000 1.193 71 H CB 1.436 30.844 29.762 -0.590 0.000 1.602 71 H HN 0.827 nan 8.280 nan 0.000 0.523 72 D N -0.411 119.995 120.400 0.010 0.000 2.433 72 D HA 0.032 4.672 4.640 -0.001 0.000 0.255 72 D C 1.044 177.276 176.300 -0.113 0.000 1.226 72 D CA -0.381 53.515 54.000 -0.173 0.000 1.015 72 D CB 0.361 41.042 40.800 -0.198 0.000 1.091 72 D HN 0.454 nan 8.370 nan 0.000 0.527 73 S N -1.395 114.182 115.700 -0.205 0.000 2.507 73 S HA -0.139 4.331 4.470 -0.001 0.000 0.235 73 S C 0.685 175.274 174.600 -0.019 0.000 0.988 73 S CA 0.587 58.741 58.200 -0.076 0.000 0.944 73 S CB -0.302 62.839 63.200 -0.099 0.000 0.762 73 S HN 0.469 nan 8.310 nan 0.000 0.526 74 D N 1.018 121.402 120.400 -0.026 0.000 2.339 74 D HA 0.257 4.896 4.640 -0.001 0.000 0.217 74 D C 1.417 177.744 176.300 0.045 0.000 1.050 74 D CA 0.714 54.716 54.000 0.004 0.000 0.856 74 D CB 0.273 41.066 40.800 -0.012 0.000 0.922 74 D HN 0.592 nan 8.370 nan 0.000 0.518 75 G N 1.871 110.723 108.800 0.087 0.000 2.157 75 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.248 75 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.248 75 G C 0.297 175.263 174.900 0.110 0.000 0.979 75 G CA 0.133 45.327 45.100 0.156 0.000 0.650 75 G HN 0.436 nan 8.290 nan 0.000 0.529 76 Q N 0.535 120.343 119.800 0.013 0.000 2.296 76 Q HA 0.383 4.722 4.340 -0.001 0.000 0.262 76 Q C 0.404 176.241 176.000 -0.272 0.000 0.981 76 Q CA -0.290 55.469 55.803 -0.073 0.000 0.905 76 Q CB 0.409 29.112 28.738 -0.058 0.000 1.186 76 Q HN 0.491 nan 8.270 nan 0.000 0.399 77 Q N 5.173 124.708 119.800 -0.442 0.000 2.307 77 Q HA 0.034 4.374 4.340 -0.001 0.000 0.261 77 Q C 0.448 176.185 176.000 -0.438 0.000 1.051 77 Q CA -0.409 54.894 55.803 -0.834 0.000 0.911 77 Q CB 0.602 28.949 28.738 -0.651 0.000 1.227 77 Q HN 0.789 nan 8.270 nan 0.000 0.418 78 I N 4.800 125.110 120.570 -0.432 0.000 2.277 78 I HA -0.059 4.111 4.170 -0.001 0.000 0.243 78 I C 0.794 176.845 176.117 -0.110 0.000 1.094 78 I CA 1.210 62.383 61.300 -0.211 0.000 1.393 78 I CB -0.912 36.997 38.000 -0.152 0.000 1.078 78 I HN 0.547 nan 8.210 nan 0.000 0.417 79 F N -0.703 119.091 119.950 -0.260 0.000 2.645 79 F HA 0.806 5.333 4.527 -0.000 0.000 0.310 79 F C -0.924 174.668 175.800 -0.346 0.000 1.102 79 F CA -2.004 55.816 58.000 -0.300 0.000 0.952 79 F CB 1.320 40.075 39.000 -0.408 0.000 1.326 79 F HN -0.180 nan 8.300 nan 0.000 0.456 80 A N 1.135 124.003 122.820 0.079 0.000 2.457 80 A HA 0.558 4.877 4.320 -0.001 0.000 0.283 80 A C -1.883 175.800 177.584 0.165 0.000 1.166 80 A CA -0.459 51.622 52.037 0.072 0.000 0.740 80 A CB -0.191 18.838 19.000 0.048 0.000 1.181 80 A HN 0.957 nan 8.150 nan 0.000 0.446 81 H N 2.841 122.028 119.070 0.195 0.000 2.724 81 H HA 0.262 4.817 4.556 -0.000 0.000 0.278 81 H C -0.201 175.156 175.328 0.049 0.000 1.159 81 H CA -0.780 55.303 56.048 0.058 0.000 1.254 81 H CB 0.723 30.466 29.762 -0.031 0.000 1.412 81 H HN 0.610 nan 8.280 nan 0.000 0.488 82 N N 2.338 121.127 118.700 0.147 0.000 2.476 82 N HA 0.214 4.953 4.740 -0.001 0.000 0.275 82 N C 0.022 175.544 175.510 0.020 0.000 1.190 82 N CA -0.692 52.410 53.050 0.086 0.000 0.977 82 N CB 1.577 40.111 38.487 0.078 0.000 1.200 82 N HN 0.352 nan 8.380 nan 0.000 0.515 83 L N 0.944 122.160 121.223 -0.012 0.000 2.461 83 L HA 0.031 4.370 4.340 -0.001 0.000 0.272 83 L C 0.310 177.111 176.870 -0.116 0.000 1.197 83 L CA -0.145 54.639 54.840 -0.093 0.000 0.836 83 L CB 0.232 42.211 42.059 -0.134 0.000 1.105 83 L HN 0.309 nan 8.230 nan 0.000 0.477 84 D N 1.645 121.951 120.400 -0.157 0.000 2.488 84 D HA -0.030 4.610 4.640 -0.001 0.000 0.238 84 D C 1.028 177.225 176.300 -0.173 0.000 1.138 84 D CA 0.159 54.072 54.000 -0.145 0.000 0.873 84 D CB 0.694 41.405 40.800 -0.148 0.000 1.183 84 D HN 0.365 nan 8.370 nan 0.000 0.458 85 R N 1.877 122.301 120.500 -0.127 0.000 2.096 85 R HA -0.192 4.148 4.340 -0.001 0.000 0.240 85 R C 1.414 177.611 176.300 -0.173 0.000 1.139 85 R CA 1.876 57.894 56.100 -0.136 0.000 0.952 85 R CB 0.014 30.267 30.300 -0.079 0.000 0.854 85 R HN 0.610 nan 8.270 nan 0.000 0.436 86 D N 0.128 120.453 120.400 -0.125 0.000 2.144 86 D HA -0.194 4.445 4.640 -0.001 0.000 0.199 86 D C 1.993 178.214 176.300 -0.131 0.000 0.984 86 D CA 1.345 55.293 54.000 -0.087 0.000 0.834 86 D CB -0.475 40.315 40.800 -0.016 0.000 0.955 86 D HN 0.413 nan 8.370 nan 0.000 0.465 87 I N 1.420 121.826 120.570 -0.273 0.000 2.202 87 I HA -0.192 3.978 4.170 -0.001 0.000 0.242 87 I C 2.917 178.736 176.117 -0.496 0.000 1.091 87 I CA 1.151 62.115 61.300 -0.561 0.000 1.368 87 I CB -0.436 37.017 38.000 -0.912 0.000 1.058 87 I HN 0.011 nan 8.210 nan 0.000 0.410 88 A N 1.026 123.562 122.820 -0.474 0.000 1.883 88 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 88 A C 2.572 179.487 177.584 -1.115 0.000 1.186 88 A CA 2.088 53.721 52.037 -0.673 0.000 0.624 88 A CB -0.948 17.713 19.000 -0.565 0.000 0.822 88 A HN 0.441 nan 8.150 nan 0.000 0.444 89 A N -0.200 122.174 122.820 -0.743 0.000 1.908 89 A HA -0.208 4.112 4.320 -0.001 0.000 0.218 89 A C 1.806 179.266 177.584 -0.208 0.000 1.181 89 A CA 2.095 53.823 52.037 -0.514 0.000 0.627 89 A CB -0.630 18.251 19.000 -0.198 0.000 0.818 89 A HN 0.468 nan 8.150 nan 0.000 0.445 90 D N -0.074 120.283 120.400 -0.073 0.000 2.097 90 D HA -0.076 4.563 4.640 -0.001 0.000 0.197 90 D C 1.925 178.353 176.300 0.214 0.000 0.984 90 D CA 0.928 55.021 54.000 0.153 0.000 0.826 90 D CB -0.361 40.682 40.800 0.407 0.000 0.973 90 D HN 0.426 nan 8.370 nan 0.000 0.460 91 L N 0.026 121.325 121.223 0.126 0.000 2.127 91 L HA -0.183 4.157 4.340 -0.001 0.000 0.211 91 L C 2.236 179.356 176.870 0.416 0.000 1.089 91 L CA 0.602 55.616 54.840 0.290 0.000 0.757 91 L CB -0.390 41.741 42.059 0.119 0.000 0.899 91 L HN 0.011 nan 8.230 nan 0.000 0.434 92 F N 0.254 120.292 119.950 0.146 0.000 2.216 92 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 92 F C 2.288 178.254 175.800 0.277 0.000 1.085 92 F CA 1.040 59.140 58.000 0.167 0.000 1.326 92 F CB -0.372 38.658 39.000 0.050 0.000 1.027 92 F HN 0.175 nan 8.300 nan 0.000 0.497 93 E N -1.120 119.320 120.200 0.401 0.000 2.641 93 E HA 0.132 4.481 4.350 -0.001 0.000 0.224 93 E C 2.121 178.846 176.600 0.208 0.000 0.951 93 E CA -0.045 56.520 56.400 0.275 0.000 1.102 93 E CB -0.318 29.513 29.700 0.218 0.000 1.091 93 E HN 0.343 nan 8.360 nan 0.000 0.507 94 I N 1.565 122.278 120.570 0.239 0.000 2.194 94 I HA -0.216 3.954 4.170 -0.001 0.000 0.246 94 I C 1.237 177.400 176.117 0.076 0.000 1.093 94 I CA 1.412 62.801 61.300 0.149 0.000 1.355 94 I CB 0.441 38.540 38.000 0.166 0.000 1.046 94 I HN -0.063 nan 8.210 nan 0.000 0.413 95 V N -2.194 117.787 119.914 0.111 0.000 2.854 95 V HA 0.332 4.451 4.120 -0.001 0.000 0.366 95 V C 1.415 177.568 176.094 0.099 0.000 1.322 95 V CA -0.476 61.864 62.300 0.067 0.000 1.243 95 V CB 0.115 31.939 31.823 0.000 0.000 1.337 95 V HN 0.230 nan 8.190 nan 0.000 0.585 96 R N 2.459 123.016 120.500 0.095 0.000 2.094 96 R HA -0.126 4.214 4.340 -0.001 0.000 0.239 96 R C 1.502 177.819 176.300 0.028 0.000 1.137 96 R CA 2.833 58.967 56.100 0.056 0.000 0.943 96 R CB -0.456 29.874 30.300 0.049 0.000 0.850 96 R HN 0.718 nan 8.270 nan 0.000 0.433 97 N N 0.195 118.913 118.700 0.030 0.000 2.370 97 N HA -0.022 4.717 4.740 -0.001 0.000 0.198 97 N C -0.871 174.656 175.510 0.027 0.000 1.156 97 N CA -0.039 53.023 53.050 0.020 0.000 0.839 97 N CB 0.280 38.777 38.487 0.016 0.000 0.989 97 N HN 0.169 nan 8.380 nan 0.000 0.468 98 D N 1.239 121.666 120.400 0.045 0.000 2.380 98 D HA 0.080 4.720 4.640 -0.001 0.000 0.230 98 D C -1.502 174.825 176.300 0.044 0.000 1.154 98 D CA -2.285 51.754 54.000 0.064 0.000 0.859 98 D CB 1.293 42.161 40.800 0.114 0.000 1.045 98 D HN 0.119 nan 8.370 nan 0.000 0.495 99 P HA -0.063 nan 4.420 nan 0.000 0.226 99 P C 0.701 177.994 177.300 -0.011 0.000 1.153 99 P CA 0.636 63.734 63.100 -0.002 0.000 0.777 99 P CB 0.523 32.216 31.700 -0.013 0.000 0.794 100 K N -0.678 119.702 120.400 -0.034 0.000 2.305 100 K HA 0.147 4.466 4.320 -0.001 0.000 0.199 100 K C 0.985 177.609 176.600 0.041 0.000 1.047 100 K CA 0.414 56.661 56.287 -0.066 0.000 0.976 100 K CB 0.116 32.427 32.500 -0.314 0.000 0.765 100 K HN 0.234 nan 8.250 nan 0.000 0.474 101 I N 1.265 121.894 120.570 0.098 0.000 2.441 101 I HA 0.176 4.346 4.170 -0.001 0.000 0.295 101 I C -0.549 175.638 176.117 0.117 0.000 0.994 101 I CA -1.097 60.295 61.300 0.154 0.000 1.144 101 I CB 2.107 40.231 38.000 0.208 0.000 1.314 101 I HN -0.313 nan 8.210 nan 0.000 0.445 102 V N 4.381 124.359 119.914 0.108 0.000 2.435 102 V HA 0.312 4.432 4.120 -0.001 0.000 0.290 102 V C 0.105 176.222 176.094 0.038 0.000 1.030 102 V CA -0.433 61.887 62.300 0.033 0.000 0.881 102 V CB 1.778 33.586 31.823 -0.026 0.000 0.983 102 V HN 0.732 nan 8.190 nan 0.000 0.445 103 T N 5.441 119.998 114.554 0.005 0.000 2.743 103 T HA 0.366 4.715 4.350 -0.001 0.000 0.293 103 T C -0.107 174.469 174.700 -0.207 0.000 0.945 103 T CA -0.405 61.653 62.100 -0.070 0.000 1.030 103 T CB 0.061 69.010 68.868 0.135 0.000 0.912 103 T HN 0.640 nan 8.240 nan 0.000 0.483 104 N N 2.001 120.379 118.700 -0.537 0.000 2.370 104 N HA 0.623 5.363 4.740 -0.001 0.000 0.303 104 N C -1.242 173.917 175.510 -0.585 0.000 1.103 104 N CA -0.566 52.078 53.050 -0.676 0.000 0.848 104 N CB 2.537 40.065 38.487 -1.597 0.000 1.235 104 N HN 0.244 nan 8.380 nan 0.000 0.496 105 V N 2.347 122.179 119.914 -0.136 0.000 2.686 105 V HA 0.294 4.414 4.120 -0.001 0.000 0.306 105 V C -1.317 175.039 176.094 0.438 0.000 1.065 105 V CA -0.751 61.586 62.300 0.062 0.000 0.894 105 V CB 1.573 33.341 31.823 -0.092 0.000 1.004 105 V HN 0.522 nan 8.190 nan 0.000 0.424 106 Y N 3.869 124.399 120.300 0.384 0.000 2.504 106 Y HA 0.513 5.062 4.550 -0.001 0.000 0.339 106 Y C 0.518 176.631 175.900 0.355 0.000 0.974 106 Y CA -0.997 57.363 58.100 0.434 0.000 1.232 106 Y CB 0.936 39.688 38.460 0.486 0.000 1.108 106 Y HN 0.532 nan 8.280 nan 0.000 0.509 107 R N 4.024 124.833 120.500 0.516 0.000 2.239 107 R HA 0.245 4.585 4.340 -0.001 0.000 0.332 107 R C 0.087 176.597 176.300 0.351 0.000 0.988 107 R CA -0.018 56.302 56.100 0.367 0.000 0.859 107 R CB 0.311 30.779 30.300 0.280 0.000 1.148 107 R HN 0.770 nan 8.270 nan 0.000 0.482 108 E N 2.087 122.469 120.200 0.303 0.000 3.289 108 E HA -0.307 4.043 4.350 -0.001 0.000 0.386 108 E C -0.238 176.599 176.600 0.396 0.000 1.526 108 E CA 1.713 58.278 56.400 0.274 0.000 1.519 108 E CB -0.670 29.152 29.700 0.204 0.000 1.657 108 E HN 0.731 nan 8.360 nan 0.000 0.479 109 D N 2.673 123.260 120.400 0.312 0.000 2.342 109 D HA 0.146 4.785 4.640 -0.001 0.000 0.221 109 D C -0.059 176.339 176.300 0.164 0.000 1.101 109 D CA 0.395 54.571 54.000 0.292 0.000 0.837 109 D CB 0.110 41.043 40.800 0.222 0.000 0.938 109 D HN 0.168 nan 8.370 nan 0.000 0.508 110 E N -0.114 120.211 120.200 0.208 0.000 2.227 110 E HA 0.315 4.665 4.350 -0.001 0.000 0.268 110 E C -0.944 175.791 176.600 0.224 0.000 0.907 110 E CA -0.973 55.507 56.400 0.134 0.000 0.786 110 E CB 2.085 31.836 29.700 0.084 0.000 1.191 110 E HN -0.014 nan 8.360 nan 0.000 0.411 111 W N 3.823 124.992 121.300 -0.219 0.000 2.417 111 W HA 0.381 5.040 4.660 -0.001 0.000 0.315 111 W C -1.756 174.621 176.519 -0.237 0.000 1.045 111 W CA -0.862 56.447 57.345 -0.061 0.000 1.221 111 W CB 0.102 29.352 29.460 -0.351 0.000 1.309 111 W HN 0.496 nan 8.180 nan 0.000 0.453 115 R N -0.510 119.777 120.500 -0.356 0.000 2.690 115 R HA 0.373 4.713 4.340 -0.001 0.000 0.269 115 R C -1.369 174.747 176.300 -0.307 0.000 1.037 115 R CA -0.673 55.246 56.100 -0.302 0.000 0.877 115 R CB 0.598 30.796 30.300 -0.170 0.000 1.255 115 R HN -0.052 nan 8.270 nan 0.000 0.467 116 H N 1.908 120.896 119.070 -0.136 0.000 3.001 116 H HA 0.071 4.626 4.556 -0.001 0.000 0.334 116 H C 0.223 175.476 175.328 -0.124 0.000 1.034 116 H CA 0.491 56.459 56.048 -0.132 0.000 1.420 116 H CB 0.579 30.322 29.762 -0.031 0.000 1.405 116 H HN 0.221 nan 8.280 nan 0.000 0.593 117 R N 2.888 123.373 120.500 -0.024 0.000 2.738 117 R HA 0.133 4.473 4.340 -0.001 0.000 0.268 117 R C -1.445 174.874 176.300 0.031 0.000 1.062 117 R CA -1.167 54.928 56.100 -0.008 0.000 1.158 117 R CB -0.110 30.187 30.300 -0.005 0.000 1.046 117 R HN 0.543 nan 8.270 nan 0.000 0.493 129 F N 5.086 125.069 119.950 0.054 0.000 2.610 129 F HA 0.656 5.183 4.527 -0.001 0.000 0.355 129 F C -0.062 175.888 175.800 0.250 0.000 1.140 129 F CA -0.642 57.411 58.000 0.088 0.000 1.037 129 F CB 1.259 40.277 39.000 0.031 0.000 1.287 129 F HN 0.544 nan 8.300 nan 0.000 0.457 130 N N 3.405 122.071 118.700 -0.057 0.000 2.478 130 N HA 0.485 5.224 4.740 -0.001 0.000 0.275 130 N C -1.384 173.885 175.510 -0.402 0.000 1.221 130 N CA -0.557 52.372 53.050 -0.201 0.000 0.979 130 N CB 1.039 39.365 38.487 -0.268 0.000 1.202 130 N HN 0.506 nan 8.380 nan 0.000 0.564 131 Y N -1.818 118.066 120.300 -0.693 0.000 2.567 131 Y HA 0.659 5.209 4.550 -0.001 0.000 0.333 131 Y C -0.667 174.850 175.900 -0.638 0.000 1.106 131 Y CA -1.035 56.473 58.100 -0.987 0.000 1.157 131 Y CB 1.054 38.417 38.460 -1.828 0.000 1.277 131 Y HN 0.129 nan 8.280 nan 0.000 0.490 132 K N 2.146 122.279 120.400 -0.445 0.000 2.267 132 K HA 0.562 4.881 4.320 -0.001 0.000 0.246 132 K C -1.229 175.353 176.600 -0.030 0.000 0.954 132 K CA -0.843 55.268 56.287 -0.293 0.000 0.824 132 K CB 2.333 34.589 32.500 -0.407 0.000 1.167 132 K HN 0.666 nan 8.250 nan 0.000 0.431 133 L N 2.467 123.698 121.223 0.013 0.000 2.399 133 L HA 0.429 4.769 4.340 -0.001 0.000 0.266 133 L C -0.608 176.356 176.870 0.156 0.000 1.114 133 L CA -0.770 54.071 54.840 0.002 0.000 0.804 133 L CB 0.328 42.301 42.059 -0.144 0.000 1.146 133 L HN 0.623 nan 8.230 nan 0.000 0.451 134 Y N -0.788 119.495 120.300 -0.028 0.000 2.457 134 Y HA 0.588 5.137 4.550 -0.001 0.000 0.343 134 Y C -0.773 175.079 175.900 -0.079 0.000 0.994 134 Y CA -1.140 56.924 58.100 -0.061 0.000 1.031 134 Y CB 1.178 39.539 38.460 -0.164 0.000 1.246 134 Y HN 0.378 nan 8.280 nan 0.000 0.449 135 E N 3.627 123.822 120.200 -0.009 0.000 2.250 135 E HA 0.364 4.714 4.350 -0.001 0.000 0.265 135 E C -2.702 173.933 176.600 0.058 0.000 1.033 135 E CA -2.444 53.926 56.400 -0.050 0.000 0.888 135 E CB 0.958 30.646 29.700 -0.020 0.000 1.151 135 E HN 0.505 nan 8.360 nan 0.000 0.412 136 P HA -0.020 nan 4.420 nan 0.000 0.258 136 P C 0.648 178.014 177.300 0.111 0.000 1.172 136 P CA 1.270 64.435 63.100 0.109 0.000 0.762 136 P CB 0.132 31.874 31.700 0.069 0.000 0.764 137 G N 3.314 112.204 108.800 0.149 0.000 2.225 137 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.254 137 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.254 137 G C 0.757 175.698 174.900 0.069 0.000 0.988 137 G CA 0.424 45.589 45.100 0.108 0.000 0.625 137 G HN 0.640 nan 8.290 nan 0.000 0.527 138 E N -0.285 119.953 120.200 0.065 0.000 2.445 138 E HA 0.431 4.781 4.350 -0.001 0.000 0.189 138 E C 0.541 177.094 176.600 -0.078 0.000 1.069 138 E CA -0.327 56.083 56.400 0.017 0.000 0.871 138 E CB 0.165 29.886 29.700 0.036 0.000 0.991 138 E HN 0.489 nan 8.360 nan 0.000 0.481 139 L N 1.806 122.935 121.223 -0.158 0.000 2.333 139 L HA 0.372 4.712 4.340 -0.001 0.000 0.280 139 L C -1.228 175.546 176.870 -0.160 0.000 1.004 139 L CA -0.794 53.785 54.840 -0.434 0.000 0.820 139 L CB 1.882 43.274 42.059 -1.111 0.000 1.247 139 L HN -0.050 nan 8.230 nan 0.000 0.416 140 D N 6.335 126.656 120.400 -0.132 0.000 2.383 140 D HA 0.246 4.886 4.640 -0.001 0.000 0.252 140 D C -1.812 174.589 176.300 0.170 0.000 1.166 140 D CA -1.154 52.860 54.000 0.023 0.000 0.879 140 D CB 1.292 42.090 40.800 -0.003 0.000 1.164 140 D HN 0.396 nan 8.370 nan 0.000 0.462 141 P HA 0.011 nan 4.420 nan 0.000 0.255 141 P C -0.631 176.683 177.300 0.023 0.000 1.357 141 P CA 0.252 63.400 63.100 0.080 0.000 0.839 141 P CB 0.185 31.778 31.700 -0.178 0.000 1.356 142 Q N -0.562 119.275 119.800 0.061 0.000 2.266 142 Q HA 0.527 4.867 4.340 -0.001 0.000 0.261 142 Q C 0.690 176.739 176.000 0.082 0.000 0.985 142 Q CA -0.455 55.377 55.803 0.047 0.000 0.873 142 Q CB 1.371 30.129 28.738 0.033 0.000 1.306 142 Q HN 0.141 nan 8.270 nan 0.000 0.447 143 G N 1.885 110.735 108.800 0.082 0.000 2.147 143 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.244 143 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.244 143 G C -0.103 174.890 174.900 0.154 0.000 1.005 143 G CA -0.447 44.721 45.100 0.113 0.000 0.713 143 G HN 0.452 nan 8.290 nan 0.000 0.515 144 I N 2.490 123.145 120.570 0.142 0.000 2.294 144 I HA 0.211 4.380 4.170 -0.001 0.000 0.295 144 I C 1.798 178.015 176.117 0.166 0.000 1.098 144 I CA 0.489 61.898 61.300 0.183 0.000 1.277 144 I CB 0.245 38.344 38.000 0.165 0.000 1.434 144 I HN 0.282 nan 8.210 nan 0.000 0.498 145 S N 5.879 121.715 115.700 0.227 0.000 2.387 145 S HA -0.031 4.438 4.470 -0.001 0.000 0.226 145 S C 0.627 175.341 174.600 0.189 0.000 1.026 145 S CA 0.395 58.720 58.200 0.208 0.000 0.972 145 S CB 0.046 63.392 63.200 0.242 0.000 0.814 145 S HN 0.768 nan 8.310 nan 0.000 0.477 146 K N -0.865 119.668 120.400 0.222 0.000 2.610 146 K HA 0.617 4.936 4.320 -0.001 0.000 0.278 146 K C -2.080 174.608 176.600 0.146 0.000 0.964 146 K CA -1.038 55.340 56.287 0.151 0.000 0.859 146 K CB 1.555 34.129 32.500 0.123 0.000 1.434 146 K HN -0.067 nan 8.250 nan 0.000 0.410 147 V N 2.319 122.272 119.914 0.064 0.000 2.495 147 V HA 0.656 4.776 4.120 -0.001 0.000 0.298 147 V C -1.096 174.908 176.094 -0.150 0.000 1.031 147 V CA -0.626 61.626 62.300 -0.079 0.000 0.871 147 V CB 0.845 32.599 31.823 -0.115 0.000 0.988 147 V HN 0.712 nan 8.190 nan 0.000 0.432 148 F N 2.402 122.055 119.950 -0.494 0.000 2.556 148 F HA 0.830 5.356 4.527 -0.001 0.000 0.314 148 F C -1.338 174.160 175.800 -0.503 0.000 1.106 148 F CA -1.773 55.970 58.000 -0.428 0.000 0.911 148 F CB 1.173 40.027 39.000 -0.243 0.000 1.190 148 F HN 0.246 nan 8.300 nan 0.000 0.448 149 F N 1.553 121.575 119.950 0.120 0.000 2.388 149 F HA 0.540 5.067 4.527 -0.000 0.000 0.358 149 F C 0.422 176.295 175.800 0.122 0.000 1.122 149 F CA -0.860 57.178 58.000 0.063 0.000 1.056 149 F CB 1.819 40.846 39.000 0.045 0.000 1.155 149 F HN 0.682 nan 8.300 nan 0.000 0.461 150 T N 0.026 114.721 114.554 0.235 0.000 2.795 150 T HA 0.597 4.947 4.350 -0.001 0.000 0.282 150 T C -0.767 174.058 174.700 0.207 0.000 0.980 150 T CA -0.762 61.477 62.100 0.232 0.000 1.012 150 T CB 1.331 70.324 68.868 0.207 0.000 0.936 150 T HN 0.797 nan 8.240 nan 0.000 0.457 151 C N 4.265 123.696 119.300 0.218 0.000 2.871 151 C HA 0.479 4.939 4.460 -0.001 0.000 0.378 151 C C 1.192 176.292 174.990 0.184 0.000 1.052 151 C CA -0.577 58.555 59.018 0.191 0.000 1.250 151 C CB 0.739 28.619 27.740 0.234 0.000 1.689 151 C HN 1.138 nan 8.230 nan 0.000 0.506 152 E N 2.089 122.370 120.200 0.134 0.000 2.204 152 E HA -0.093 4.257 4.350 -0.001 0.000 0.195 152 E C 0.366 177.048 176.600 0.137 0.000 0.990 152 E CA 1.380 57.854 56.400 0.123 0.000 0.821 152 E CB -0.041 29.709 29.700 0.084 0.000 0.750 152 E HN 0.652 nan 8.360 nan 0.000 0.477 153 D N -0.012 120.470 120.400 0.135 0.000 2.411 153 D HA 0.033 4.673 4.640 -0.001 0.000 0.225 153 D C 0.392 176.818 176.300 0.209 0.000 1.156 153 D CA -0.330 53.757 54.000 0.146 0.000 0.874 153 D CB 0.354 41.209 40.800 0.092 0.000 1.034 153 D HN 0.230 nan 8.370 nan 0.000 0.502 154 H N 3.368 122.513 119.070 0.125 0.000 2.352 154 H HA -0.136 4.420 4.556 -0.000 0.000 0.299 154 H C 1.071 176.476 175.328 0.128 0.000 1.097 154 H CA 2.168 58.288 56.048 0.121 0.000 1.311 154 H CB 0.499 30.270 29.762 0.016 0.000 1.377 154 H HN 0.356 nan 8.280 nan 0.000 0.504 155 E N -0.914 119.255 120.200 -0.052 0.000 2.209 155 E HA -0.172 4.178 4.350 -0.001 0.000 0.196 155 E C 1.984 178.571 176.600 -0.021 0.000 0.993 155 E CA 1.328 57.676 56.400 -0.087 0.000 0.819 155 E CB -0.325 29.391 29.700 0.027 0.000 0.745 155 E HN 0.680 nan 8.360 nan 0.000 0.477 156 H N -0.475 118.578 119.070 -0.028 0.000 2.462 156 H HA 0.094 4.650 4.556 -0.001 0.000 0.292 156 H C 1.545 176.870 175.328 -0.004 0.000 1.049 156 H CA 0.988 57.032 56.048 -0.006 0.000 1.334 156 H CB 0.079 29.853 29.762 0.019 0.000 1.404 156 H HN 0.115 nan 8.280 nan 0.000 0.544 157 L N -0.452 120.788 121.223 0.030 0.000 2.240 157 L HA -0.060 4.280 4.340 -0.001 0.000 0.211 157 L C 2.095 178.986 176.870 0.036 0.000 1.106 157 L CA 0.302 55.168 54.840 0.044 0.000 0.793 157 L CB -0.194 42.031 42.059 0.277 0.000 0.927 157 L HN 0.299 nan 8.230 nan 0.000 0.446 158 L N 0.240 121.473 121.223 0.017 0.000 2.013 158 L HA -0.190 4.150 4.340 -0.001 0.000 0.212 158 L C -0.180 176.678 176.870 -0.021 0.000 1.073 158 L CA 1.666 56.528 54.840 0.037 0.000 0.753 158 L CB -1.763 40.254 42.059 -0.069 0.000 0.890 158 L HN 0.258 nan 8.230 nan 0.000 0.432 159 P HA -0.150 nan 4.420 nan 0.000 0.221 159 P C 1.655 178.875 177.300 -0.133 0.000 1.150 159 P CA 0.846 63.882 63.100 -0.107 0.000 0.800 159 P CB 0.086 31.704 31.700 -0.136 0.000 0.787 160 L N 0.347 121.462 121.223 -0.180 0.000 2.109 160 L HA -0.081 4.259 4.340 -0.001 0.000 0.207 160 L C 2.246 179.017 176.870 -0.166 0.000 1.086 160 L CA 1.827 56.535 54.840 -0.219 0.000 0.760 160 L CB -1.176 40.694 42.059 -0.314 0.000 0.910 160 L HN -0.074 nan 8.230 nan 0.000 0.437 161 E N -0.896 119.234 120.200 -0.116 0.000 2.051 161 E HA -0.307 4.043 4.350 -0.001 0.000 0.192 161 E C 2.129 178.715 176.600 -0.023 0.000 0.991 161 E CA 1.782 58.142 56.400 -0.067 0.000 0.799 161 E CB -0.020 29.681 29.700 0.001 0.000 0.748 161 E HN 0.685 nan 8.360 nan 0.000 0.449 162 Q N 0.929 120.715 119.800 -0.024 0.000 2.030 162 Q HA 0.007 4.347 4.340 -0.001 0.000 0.204 162 Q C 1.514 177.483 176.000 -0.051 0.000 0.986 162 Q CA 1.496 57.285 55.803 -0.024 0.000 0.843 162 Q CB -1.117 27.604 28.738 -0.028 0.000 0.904 162 Q HN 0.507 nan 8.270 nan 0.000 0.420 166 A N 1.318 124.116 122.820 -0.036 0.000 1.968 166 A HA -0.022 4.298 4.320 -0.001 0.000 0.217 166 A C 2.109 179.617 177.584 -0.127 0.000 1.169 166 A CA 1.555 53.552 52.037 -0.068 0.000 0.638 166 A CB -0.276 18.675 19.000 -0.082 0.000 0.812 166 A HN 0.245 nan 8.150 nan 0.000 0.446 167 R N -1.730 118.626 120.500 -0.241 0.000 2.073 167 R HA -0.104 4.236 4.340 -0.001 0.000 0.229 167 R C 1.474 177.517 176.300 -0.427 0.000 1.120 167 R CA 1.634 57.438 56.100 -0.492 0.000 0.967 167 R CB -0.137 29.590 30.300 -0.954 0.000 0.862 167 R HN 0.708 nan 8.270 nan 0.000 0.436 168 W N -0.429 120.860 121.300 -0.019 0.000 2.873 168 W HA 0.325 4.985 4.660 -0.000 0.000 0.282 168 W C 1.140 177.650 176.519 -0.016 0.000 1.118 168 W CA 0.510 57.844 57.345 -0.017 0.000 1.480 168 W CB -0.199 29.251 29.460 -0.016 0.000 0.954 168 W HN 0.425 nan 8.180 nan 0.000 0.591 169 G N 2.492 111.400 108.800 0.180 0.000 2.622 169 G HA2 -0.417 3.543 3.960 -0.001 0.000 0.307 169 G HA3 -0.417 3.543 3.960 -0.001 0.000 0.307 169 G C 0.775 175.733 174.900 0.097 0.000 1.226 169 G CA 1.234 46.397 45.100 0.106 0.000 0.997 169 G HN 0.126 nan 8.290 nan 0.000 0.551 170 D N 0.817 121.253 120.400 0.061 0.000 2.228 170 D HA -0.078 4.562 4.640 -0.001 0.000 0.203 170 D C 2.527 178.835 176.300 0.013 0.000 0.988 170 D CA 1.295 55.312 54.000 0.029 0.000 0.864 170 D CB -0.219 40.589 40.800 0.012 0.000 0.928 170 D HN 0.547 nan 8.370 nan 0.000 0.469 171 R N 0.069 120.592 120.500 0.039 0.000 2.280 171 R HA 0.025 4.365 4.340 -0.001 0.000 0.207 171 R C 0.675 176.937 176.300 -0.064 0.000 1.043 171 R CA 0.284 56.376 56.100 -0.014 0.000 1.006 171 R CB 0.222 30.526 30.300 0.007 0.000 0.885 171 R HN 0.172 nan 8.270 nan 0.000 0.467 172 V N -2.169 117.741 119.914 -0.007 0.000 3.040 172 V HA 0.467 4.587 4.120 -0.001 0.000 0.312 172 V C -1.176 174.927 176.094 0.014 0.000 1.115 172 V CA -1.470 60.815 62.300 -0.024 0.000 0.998 172 V CB 2.245 34.067 31.823 -0.002 0.000 1.042 172 V HN -0.098 nan 8.190 nan 0.000 0.433 173 N N 1.776 120.483 118.700 0.011 0.000 2.518 173 N HA 0.512 5.252 4.740 -0.001 0.000 0.254 173 N C -1.161 174.382 175.510 0.054 0.000 0.979 173 N CA -0.345 52.727 53.050 0.036 0.000 0.930 173 N CB 1.492 39.997 38.487 0.029 0.000 1.152 173 N HN 0.714 nan 8.380 nan 0.000 0.505 174 V N 2.478 122.433 119.914 0.069 0.000 2.383 174 V HA 0.539 4.659 4.120 -0.001 0.000 0.275 174 V C -0.072 176.053 176.094 0.051 0.000 1.036 174 V CA -0.350 61.987 62.300 0.061 0.000 0.889 174 V CB 0.812 32.675 31.823 0.067 0.000 0.985 174 V HN 0.696 nan 8.190 nan 0.000 0.459 175 S N 3.978 119.697 115.700 0.032 0.000 2.540 175 S HA 0.677 5.147 4.470 -0.001 0.000 0.275 175 S C -0.798 173.818 174.600 0.027 0.000 1.123 175 S CA -0.502 57.737 58.200 0.066 0.000 0.907 175 S CB 1.442 64.697 63.200 0.093 0.000 1.081 175 S HN 0.422 nan 8.310 nan 0.000 0.476 176 F N 2.217 122.204 119.950 0.062 0.000 2.418 176 F HA 0.260 4.787 4.527 -0.001 0.000 0.341 176 F C 1.821 177.614 175.800 -0.012 0.000 1.120 176 F CA 0.243 58.267 58.000 0.040 0.000 1.232 176 F CB 1.207 40.219 39.000 0.020 0.000 1.175 176 F HN 0.742 nan 8.300 nan 0.000 0.569 177 S N -0.118 115.690 115.700 0.180 0.000 2.583 177 S HA 0.110 4.580 4.470 -0.001 0.000 0.203 177 S C 0.820 175.445 174.600 0.041 0.000 0.952 177 S CA 0.421 58.673 58.200 0.086 0.000 0.887 177 S CB -0.477 62.752 63.200 0.048 0.000 0.857 177 S HN 0.645 nan 8.310 nan 0.000 0.611 178 T N -0.267 114.349 114.554 0.104 0.000 2.849 178 T HA 0.537 4.887 4.350 -0.001 0.000 0.276 178 T C 1.227 175.974 174.700 0.078 0.000 0.971 178 T CA -0.758 61.404 62.100 0.104 0.000 0.949 178 T CB 0.296 69.263 68.868 0.164 0.000 1.093 178 T HN 0.210 nan 8.240 nan 0.000 0.545 179 L N 0.597 121.830 121.223 0.018 0.000 2.275 179 L HA 0.009 4.348 4.340 -0.001 0.000 0.215 179 L C 2.559 179.629 176.870 0.333 0.000 1.119 179 L CA 1.481 56.264 54.840 -0.096 0.000 0.790 179 L CB -0.740 41.136 42.059 -0.305 0.000 0.919 179 L HN 0.977 nan 8.230 nan 0.000 0.443 180 T N -5.314 109.418 114.554 0.298 0.000 3.105 180 T HA 0.098 4.447 4.350 -0.001 0.000 0.253 180 T C 0.263 175.160 174.700 0.329 0.000 1.047 180 T CA -0.380 61.910 62.100 0.316 0.000 0.944 180 T CB -0.250 68.749 68.868 0.219 0.000 1.016 180 T HN 0.198 nan 8.240 nan 0.000 0.544 181 C N 2.032 121.550 119.300 0.363 0.000 2.478 181 C HA 0.739 5.199 4.460 -0.001 0.000 0.334 181 C C -0.789 174.335 174.990 0.222 0.000 1.106 181 C CA -1.285 57.907 59.018 0.290 0.000 1.363 181 C CB -0.409 27.459 27.740 0.212 0.000 1.941 181 C HN 0.632 nan 8.230 nan 0.000 0.436 182 L N 6.649 127.939 121.223 0.112 0.000 2.262 182 L HA 0.573 4.913 4.340 -0.001 0.000 0.288 182 L C -0.035 176.885 176.870 0.084 0.000 1.035 182 L CA 0.699 55.426 54.840 -0.187 0.000 0.820 182 L CB 0.742 42.582 42.059 -0.365 0.000 1.204 182 L HN 0.681 nan 8.230 nan 0.000 0.424 183 E N 3.999 124.213 120.200 0.023 0.000 2.202 183 E HA 0.651 5.001 4.350 -0.001 0.000 0.272 183 E C -0.989 175.662 176.600 0.085 0.000 0.951 183 E CA -0.863 55.584 56.400 0.079 0.000 0.813 183 E CB 2.483 32.194 29.700 0.019 0.000 1.151 183 E HN 0.407 nan 8.360 nan 0.000 0.398 187 G N -0.257 108.488 108.800 -0.093 0.000 2.340 187 G HA2 0.532 4.492 3.960 -0.001 0.000 0.245 187 G HA3 0.532 4.492 3.960 -0.001 0.000 0.245 187 G C 1.336 176.138 174.900 -0.164 0.000 1.294 187 G CA 1.082 46.124 45.100 -0.098 0.000 0.896 187 G HN 2.591 nan 8.290 nan 0.000 0.522 188 G N 0.168 108.819 108.800 -0.247 0.000 2.176 188 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.253 188 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.253 188 G C 0.190 174.801 174.900 -0.481 0.000 0.979 188 G CA 0.273 45.092 45.100 -0.467 0.000 0.641 188 G HN 1.307 nan 8.290 nan 0.000 0.530 189 V N 1.740 121.521 119.914 -0.222 0.000 2.370 189 V HA 0.809 4.929 4.120 -0.001 0.000 0.283 189 V C 0.425 176.552 176.094 0.054 0.000 1.023 189 V CA 0.317 62.596 62.300 -0.035 0.000 0.857 189 V CB 1.320 33.170 31.823 0.046 0.000 0.985 189 V HN 1.327 nan 8.190 nan 0.000 0.443 190 S N 3.790 119.602 115.700 0.186 0.000 2.636 190 S HA 0.459 4.929 4.470 -0.001 0.000 0.268 190 S C 0.261 174.986 174.600 0.208 0.000 1.159 190 S CA -0.944 57.388 58.200 0.221 0.000 0.815 190 S CB 1.705 65.092 63.200 0.313 0.000 1.130 190 S HN 0.454 nan 8.310 nan 0.000 0.471 191 K N 0.311 120.798 120.400 0.145 0.000 2.147 191 K HA -0.008 4.312 4.320 -0.001 0.000 0.205 191 K C 2.091 178.739 176.600 0.081 0.000 1.049 191 K CA 1.565 57.917 56.287 0.110 0.000 0.936 191 K CB -0.778 31.771 32.500 0.082 0.000 0.722 191 K HN 0.722 nan 8.250 nan 0.000 0.446 192 G N 0.605 109.433 108.800 0.048 0.000 2.402 192 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.216 192 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.216 192 G C 1.000 175.843 174.900 -0.095 0.000 1.162 192 G CA 0.858 45.920 45.100 -0.062 0.000 0.777 192 G HN 0.329 nan 8.290 nan 0.000 0.539 193 H N 0.570 119.665 119.070 0.042 0.000 2.389 193 H HA 0.234 4.790 4.556 -0.001 0.000 0.299 193 H C 2.785 178.160 175.328 0.078 0.000 1.081 193 H CA 1.163 57.236 56.048 0.041 0.000 1.345 193 H CB 0.012 29.792 29.762 0.030 0.000 1.393 193 H HN 0.410 nan 8.280 nan 0.000 0.520 194 A N 0.646 123.612 122.820 0.243 0.000 1.929 194 A HA -0.083 4.237 4.320 -0.001 0.000 0.216 194 A C 2.187 179.860 177.584 0.149 0.000 1.176 194 A CA 1.092 53.301 52.037 0.286 0.000 0.628 194 A CB -0.584 18.592 19.000 0.294 0.000 0.816 194 A HN 0.336 nan 8.150 nan 0.000 0.444 195 L N 0.333 121.599 121.223 0.073 0.000 2.046 195 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 195 L C 2.227 179.098 176.870 0.001 0.000 1.077 195 L CA 2.735 57.582 54.840 0.013 0.000 0.747 195 L CB -0.711 41.339 42.059 -0.016 0.000 0.896 195 L HN 0.608 nan 8.230 nan 0.000 0.432 196 E N -0.584 119.618 120.200 0.004 0.000 2.058 196 E HA -0.264 4.085 4.350 -0.001 0.000 0.194 196 E C 2.081 178.693 176.600 0.019 0.000 0.997 196 E CA 1.375 57.776 56.400 0.000 0.000 0.801 196 E CB -0.227 29.463 29.700 -0.015 0.000 0.746 196 E HN 0.620 nan 8.360 nan 0.000 0.450 197 A N 0.358 123.212 122.820 0.057 0.000 1.902 197 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 197 A C 2.417 180.002 177.584 0.002 0.000 1.181 197 A CA 1.523 53.603 52.037 0.071 0.000 0.623 197 A CB -0.651 18.463 19.000 0.189 0.000 0.818 197 A HN 0.238 nan 8.150 nan 0.000 0.443 198 V N -0.144 119.736 119.914 -0.057 0.000 2.358 198 V HA -0.223 3.896 4.120 -0.001 0.000 0.246 198 V C 3.063 179.050 176.094 -0.178 0.000 1.047 198 V CA 1.825 63.962 62.300 -0.271 0.000 1.035 198 V CB -1.253 30.390 31.823 -0.299 0.000 0.658 198 V HN 0.616 nan 8.190 nan 0.000 0.452 199 A N -0.354 122.437 122.820 -0.049 0.000 1.908 199 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 199 A C 1.578 179.196 177.584 0.057 0.000 1.181 199 A CA 1.361 53.425 52.037 0.046 0.000 0.627 199 A CB -0.349 18.683 19.000 0.054 0.000 0.818 199 A HN 0.564 nan 8.150 nan 0.000 0.445 203 G N 0.118 108.808 108.800 -0.182 0.000 2.132 203 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.228 203 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.228 203 G C -0.378 174.207 174.900 -0.525 0.000 1.000 203 G CA 0.427 45.320 45.100 -0.344 0.000 0.693 203 G HN 0.234 nan 8.290 nan 0.000 0.515 204 Y N -0.490 119.812 120.300 0.003 0.000 2.773 204 Y HA 0.811 5.361 4.550 -0.001 0.000 0.323 204 Y C 0.943 176.842 175.900 -0.002 0.000 1.183 204 Y CA -0.234 57.868 58.100 0.004 0.000 1.144 204 Y CB 1.267 39.732 38.460 0.008 0.000 1.340 204 Y HN 0.427 nan 8.280 nan 0.000 0.531 205 T N -2.842 111.831 114.554 0.199 0.000 2.858 205 T HA 0.408 4.758 4.350 -0.001 0.000 0.285 205 T C 0.556 175.299 174.700 0.072 0.000 1.052 205 T CA -0.794 61.364 62.100 0.096 0.000 1.009 205 T CB 0.636 69.545 68.868 0.068 0.000 1.241 205 T HN 0.546 nan 8.240 nan 0.000 0.542 206 L N 0.554 121.794 121.223 0.029 0.000 2.131 206 L HA -0.069 4.270 4.340 -0.001 0.000 0.210 206 L C 2.894 179.772 176.870 0.012 0.000 1.092 206 L CA 1.199 56.038 54.840 -0.003 0.000 0.759 206 L CB -0.597 41.444 42.059 -0.030 0.000 0.903 206 L HN 0.738 nan 8.230 nan 0.000 0.435 207 S N -0.645 115.082 115.700 0.045 0.000 2.442 207 S HA -0.154 4.316 4.470 -0.001 0.000 0.236 207 S C 1.211 175.907 174.600 0.160 0.000 1.007 207 S CA 1.037 59.289 58.200 0.086 0.000 0.965 207 S CB -0.219 63.023 63.200 0.069 0.000 0.773 207 S HN 0.462 nan 8.310 nan 0.000 0.504 208 D N 0.339 120.811 120.400 0.121 0.000 2.340 208 D HA 0.129 4.769 4.640 -0.001 0.000 0.220 208 D C -0.037 176.331 176.300 0.112 0.000 1.039 208 D CA 0.188 54.255 54.000 0.111 0.000 0.866 208 D CB 0.048 40.850 40.800 0.004 0.000 0.913 208 D HN 0.325 nan 8.370 nan 0.000 0.523 209 C N 1.277 120.598 119.300 0.036 0.000 2.341 209 C HA 0.577 5.037 4.460 -0.001 0.000 0.338 209 C C 0.487 175.252 174.990 -0.375 0.000 1.257 209 C CA -1.145 57.806 59.018 -0.112 0.000 1.883 209 C CB 0.909 28.582 27.740 -0.112 0.000 2.334 209 C HN 0.222 nan 8.230 nan 0.000 0.524 210 I N 2.937 123.251 120.570 -0.428 0.000 2.406 210 I HA 0.683 4.852 4.170 -0.001 0.000 0.290 210 I C -0.089 175.791 176.117 -0.395 0.000 0.999 210 I CA 0.058 60.997 61.300 -0.602 0.000 1.124 210 I CB 0.967 38.624 38.000 -0.570 0.000 1.289 210 I HN 0.811 nan 8.210 nan 0.000 0.441 211 A N 6.774 129.282 122.820 -0.520 0.000 2.380 211 A HA 0.847 5.167 4.320 -0.001 0.000 0.315 211 A C -1.633 175.596 177.584 -0.592 0.000 1.101 211 A CA -0.397 51.428 52.037 -0.353 0.000 0.771 211 A CB 0.989 19.859 19.000 -0.217 0.000 1.287 211 A HN 0.627 nan 8.150 nan 0.000 0.436 212 F N 0.260 120.166 119.950 -0.072 0.000 2.556 212 F HA 0.732 5.259 4.527 -0.001 0.000 0.314 212 F C 0.676 176.463 175.800 -0.021 0.000 1.106 212 F CA -0.042 57.920 58.000 -0.063 0.000 0.911 212 F CB 2.895 41.872 39.000 -0.038 0.000 1.190 212 F HN 0.916 nan 8.300 nan 0.000 0.448 213 G N 1.036 109.912 108.800 0.126 0.000 2.623 213 G HA2 0.448 4.408 3.960 -0.001 0.000 0.290 213 G HA3 0.448 4.408 3.960 -0.001 0.000 0.290 213 G C -1.391 173.556 174.900 0.079 0.000 1.437 213 G CA -0.700 44.456 45.100 0.094 0.000 0.798 213 G HN 0.578 nan 8.290 nan 0.000 0.488 214 D N -1.258 119.196 120.400 0.091 0.000 2.516 214 D HA 0.257 4.896 4.640 -0.001 0.000 0.241 214 D C 0.819 177.229 176.300 0.182 0.000 1.246 214 D CA 0.648 54.705 54.000 0.095 0.000 0.808 214 D CB 0.735 41.571 40.800 0.059 0.000 1.147 214 D HN 0.821 nan 8.370 nan 0.000 0.527 218 D N 0.826 121.274 120.400 0.080 0.000 2.417 218 D HA 0.322 4.962 4.640 -0.001 0.000 0.207 218 D C 1.746 178.059 176.300 0.022 0.000 1.075 218 D CA 0.520 54.552 54.000 0.053 0.000 0.851 218 D CB 0.785 41.619 40.800 0.056 0.000 0.976 218 D HN 0.341 nan 8.370 nan 0.000 0.505 219 A N 1.355 124.210 122.820 0.059 0.000 1.873 219 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 219 A C 1.277 178.837 177.584 -0.041 0.000 1.193 219 A CA 1.288 53.359 52.037 0.056 0.000 0.629 219 A CB -0.382 18.745 19.000 0.213 0.000 0.826 219 A HN 0.140 nan 8.150 nan 0.000 0.447 226 G N -0.050 108.672 108.800 -0.129 0.000 2.442 226 G HA2 0.153 4.113 3.960 -0.001 0.000 0.219 226 G HA3 0.153 4.113 3.960 -0.001 0.000 0.219 226 G C 0.624 175.441 174.900 -0.140 0.000 1.141 226 G CA 1.872 46.942 45.100 -0.050 0.000 0.763 226 G HN 1.020 nan 8.290 nan 0.000 0.554 227 K N -0.170 119.988 120.400 -0.405 0.000 2.507 227 K HA 0.584 4.904 4.320 -0.001 0.000 0.251 227 K C -0.597 175.732 176.600 -0.451 0.000 0.943 227 K CA -0.255 55.778 56.287 -0.424 0.000 0.794 227 K CB 1.652 33.765 32.500 -0.645 0.000 1.188 227 K HN 0.090 nan 8.250 nan 0.000 0.428 228 G N 2.597 111.188 108.800 -0.348 0.000 2.470 228 G HA2 0.518 4.478 3.960 -0.001 0.000 0.320 228 G HA3 0.518 4.478 3.960 -0.001 0.000 0.320 228 G C -1.011 173.668 174.900 -0.369 0.000 1.245 228 G CA -0.515 44.363 45.100 -0.370 0.000 0.935 228 G HN 0.679 nan 8.290 nan 0.000 0.476 229 C N 2.834 121.839 119.300 -0.491 0.000 2.345 229 C HA 0.610 5.069 4.460 -0.001 0.000 0.323 229 C C 0.679 175.558 174.990 -0.184 0.000 1.276 229 C CA -0.579 58.206 59.018 -0.388 0.000 1.543 229 C CB -0.169 27.191 27.740 -0.633 0.000 2.211 229 C HN 0.606 nan 8.230 nan 0.000 0.493 233 N N 1.571 120.248 118.700 -0.038 0.000 2.461 233 N HA 0.274 5.014 4.740 -0.001 0.000 0.188 233 N C 0.688 176.127 175.510 -0.118 0.000 1.134 233 N CA 0.753 53.758 53.050 -0.075 0.000 0.878 233 N CB 0.008 38.450 38.487 -0.075 0.000 0.972 233 N HN 0.645 nan 8.380 nan 0.000 0.456 234 A N 1.335 124.112 122.820 -0.072 0.000 2.448 234 A HA 0.063 4.382 4.320 -0.001 0.000 0.239 234 A C 0.208 177.721 177.584 -0.118 0.000 1.080 234 A CA -0.286 51.715 52.037 -0.060 0.000 0.779 234 A CB -0.079 18.933 19.000 0.020 0.000 1.026 234 A HN 0.372 nan 8.150 nan 0.000 0.499 235 H N 0.709 119.774 119.070 -0.007 0.000 2.928 235 H HA -0.009 4.546 4.556 -0.001 0.000 0.338 235 H C 1.012 176.330 175.328 -0.017 0.000 1.047 235 H CA 0.616 56.647 56.048 -0.028 0.000 1.435 235 H CB 0.984 30.723 29.762 -0.038 0.000 1.428 235 H HN 0.885 nan 8.280 nan 0.000 0.590 236 Q N 3.560 123.398 119.800 0.062 0.000 2.170 236 Q HA -0.157 4.183 4.340 -0.001 0.000 0.203 236 Q C 2.258 178.285 176.000 0.045 0.000 0.976 236 Q CA 1.472 57.296 55.803 0.035 0.000 0.858 236 Q CB -0.091 28.654 28.738 0.011 0.000 0.907 236 Q HN 0.601 nan 8.270 nan 0.000 0.433 237 R N -0.652 119.880 120.500 0.053 0.000 2.120 237 R HA -0.155 4.185 4.340 -0.001 0.000 0.234 237 R C 1.988 178.322 176.300 0.057 0.000 1.123 237 R CA 1.354 57.477 56.100 0.039 0.000 0.975 237 R CB -0.319 29.991 30.300 0.017 0.000 0.866 237 R HN 0.400 nan 8.270 nan 0.000 0.446 238 L N 1.236 122.516 121.223 0.095 0.000 2.056 238 L HA -0.099 4.241 4.340 -0.001 0.000 0.207 238 L C 1.723 178.661 176.870 0.113 0.000 1.078 238 L CA 1.838 56.753 54.840 0.124 0.000 0.749 238 L CB -0.267 41.877 42.059 0.141 0.000 0.901 238 L HN 0.022 nan 8.230 nan 0.000 0.433 239 K N -0.416 120.031 120.400 0.079 0.000 2.057 239 K HA -0.156 4.164 4.320 -0.001 0.000 0.207 239 K C 1.734 178.360 176.600 0.043 0.000 1.049 239 K CA 1.589 57.912 56.287 0.060 0.000 0.931 239 K CB -0.271 32.252 32.500 0.038 0.000 0.714 239 K HN 0.366 nan 8.250 nan 0.000 0.440 240 D N 0.859 121.274 120.400 0.025 0.000 2.144 240 D HA -0.130 4.510 4.640 -0.001 0.000 0.200 240 D C 1.805 178.084 176.300 -0.036 0.000 0.978 240 D CA 0.719 54.719 54.000 0.000 0.000 0.833 240 D CB -0.154 40.646 40.800 0.001 0.000 0.961 240 D HN 0.010 nan 8.370 nan 0.000 0.470 241 L N 0.296 121.480 121.223 -0.064 0.000 2.093 241 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 241 L C 0.483 177.095 176.870 -0.431 0.000 1.085 241 L CA 1.571 56.276 54.840 -0.225 0.000 0.755 241 L CB -0.056 41.871 42.059 -0.220 0.000 0.904 241 L HN 0.088 nan 8.230 nan 0.000 0.435 242 H N -0.323 118.754 119.070 0.012 0.000 2.348 242 H HA 0.311 4.867 4.556 -0.001 0.000 0.232 242 H C -1.841 173.486 175.328 -0.000 0.000 1.419 242 H CA -1.511 54.538 56.048 0.003 0.000 1.416 242 H CB 0.541 30.300 29.762 -0.004 0.000 1.510 242 H HN 0.229 nan 8.280 nan 0.000 0.507 243 P HA -0.111 nan 4.420 nan 0.000 0.233 243 P C 1.325 178.653 177.300 0.046 0.000 1.167 243 P CA 0.751 63.878 63.100 0.045 0.000 0.770 243 P CB 0.476 32.189 31.700 0.021 0.000 0.837 244 E N 0.378 120.614 120.200 0.059 0.000 2.427 244 E HA -0.047 4.302 4.350 -0.001 0.000 0.196 244 E C 0.571 177.187 176.600 0.027 0.000 1.028 244 E CA 0.238 56.664 56.400 0.043 0.000 0.864 244 E CB -0.683 29.046 29.700 0.048 0.000 0.813 244 E HN 0.314 nan 8.360 nan 0.000 0.514 245 L N 1.915 123.155 121.223 0.029 0.000 2.350 245 L HA 0.240 4.580 4.340 -0.001 0.000 0.275 245 L C 0.732 177.595 176.870 -0.012 0.000 1.099 245 L CA -0.602 54.229 54.840 -0.015 0.000 0.808 245 L CB 1.073 43.105 42.059 -0.044 0.000 1.149 245 L HN 0.050 nan 8.230 nan 0.000 0.442 246 E N 1.604 121.785 120.200 -0.032 0.000 2.376 246 E HA 0.139 4.488 4.350 -0.001 0.000 0.266 246 E C -1.208 175.379 176.600 -0.023 0.000 1.009 246 E CA -0.456 55.937 56.400 -0.012 0.000 0.902 246 E CB 1.055 30.756 29.700 0.002 0.000 0.972 246 E HN 0.282 nan 8.360 nan 0.000 0.439 247 V N 7.386 127.304 119.914 0.008 0.000 2.350 247 V HA 0.228 4.348 4.120 -0.001 0.000 0.276 247 V C 0.552 176.664 176.094 0.031 0.000 1.028 247 V CA -0.341 61.966 62.300 0.011 0.000 0.860 247 V CB 0.317 32.151 31.823 0.018 0.000 0.990 247 V HN 0.565 nan 8.190 nan 0.000 0.453 248 I N 2.482 123.067 120.570 0.026 0.000 3.674 248 I HA 0.896 5.066 4.170 -0.001 0.000 0.287 248 I C 1.051 177.205 176.117 0.062 0.000 1.270 248 I CA -0.565 60.776 61.300 0.068 0.000 0.949 248 I CB 0.642 38.673 38.000 0.051 0.000 1.474 248 I HN 0.561 nan 8.210 nan 0.000 0.636 249 G N 0.457 109.305 108.800 0.079 0.000 2.631 249 G HA2 0.257 4.217 3.960 -0.001 0.000 0.271 249 G HA3 0.257 4.217 3.960 -0.001 0.000 0.271 249 G C -0.298 174.618 174.900 0.028 0.000 1.302 249 G CA -0.338 44.792 45.100 0.050 0.000 1.002 249 G HN 0.741 nan 8.290 nan 0.000 0.519 250 S N -0.697 115.009 115.700 0.009 0.000 2.601 250 S HA 0.081 4.551 4.470 -0.001 0.000 0.271 250 S C 1.803 176.395 174.600 -0.013 0.000 1.305 250 S CA -0.141 58.054 58.200 -0.009 0.000 1.022 250 S CB 0.605 63.793 63.200 -0.020 0.000 0.940 250 S HN 0.704 nan 8.310 nan 0.000 0.525 251 N N 3.289 121.974 118.700 -0.025 0.000 2.443 251 N HA -0.094 4.646 4.740 -0.001 0.000 0.184 251 N C 1.525 177.012 175.510 -0.039 0.000 1.037 251 N CA 1.306 54.337 53.050 -0.033 0.000 0.896 251 N CB -0.848 37.612 38.487 -0.046 0.000 0.959 251 N HN 0.563 nan 8.380 nan 0.000 0.442 252 A N 0.632 123.428 122.820 -0.040 0.000 2.019 252 A HA -0.107 4.212 4.320 -0.001 0.000 0.219 252 A C 1.481 179.042 177.584 -0.037 0.000 1.164 252 A CA 1.406 53.420 52.037 -0.038 0.000 0.644 252 A CB -0.198 18.781 19.000 -0.036 0.000 0.805 252 A HN 0.183 nan 8.150 nan 0.000 0.449 253 D N -0.905 119.474 120.400 -0.036 0.000 2.339 253 D HA 0.090 4.730 4.640 -0.001 0.000 0.217 253 D C -0.339 175.918 176.300 -0.072 0.000 1.050 253 D CA 0.325 54.295 54.000 -0.050 0.000 0.856 253 D CB 0.091 40.873 40.800 -0.031 0.000 0.922 253 D HN 0.275 nan 8.370 nan 0.000 0.518 254 D N -0.477 119.894 120.400 -0.049 0.000 2.746 254 D HA -0.204 4.436 4.640 -0.001 0.000 0.236 254 D C 1.260 177.559 176.300 -0.002 0.000 1.129 254 D CA 0.678 54.658 54.000 -0.032 0.000 0.691 254 D CB -1.046 39.704 40.800 -0.084 0.000 1.077 254 D HN 0.242 nan 8.370 nan 0.000 0.432 255 A N -0.769 122.055 122.820 0.006 0.000 1.940 255 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 255 A C 2.420 180.041 177.584 0.062 0.000 1.176 255 A CA 1.849 53.916 52.037 0.049 0.000 0.631 255 A CB -0.239 18.792 19.000 0.051 0.000 0.814 255 A HN 0.317 nan 8.150 nan 0.000 0.446 256 V N 1.060 120.944 119.914 -0.051 0.000 2.237 256 V HA -0.162 3.957 4.120 -0.001 0.000 0.245 256 V C -0.028 176.006 176.094 -0.100 0.000 1.046 256 V CA 2.430 64.564 62.300 -0.277 0.000 1.007 256 V CB -1.646 29.898 31.823 -0.465 0.000 0.638 256 V HN 0.458 nan 8.190 nan 0.000 0.445 257 P HA -0.150 nan 4.420 nan 0.000 0.218 257 P C 1.536 179.012 177.300 0.294 0.000 1.149 257 P CA 1.411 64.606 63.100 0.157 0.000 0.817 257 P CB -0.138 31.690 31.700 0.214 0.000 0.785 258 R N -1.423 119.278 120.500 0.336 0.000 2.092 258 R HA -0.142 4.198 4.340 -0.001 0.000 0.231 258 R C 2.582 179.030 176.300 0.247 0.000 1.119 258 R CA 1.191 57.470 56.100 0.298 0.000 0.970 258 R CB -1.035 29.352 30.300 0.145 0.000 0.864 258 R HN 0.204 nan 8.270 nan 0.000 0.440 259 Y N 1.565 121.942 120.300 0.128 0.000 2.181 259 Y HA -0.166 4.383 4.550 -0.001 0.000 0.288 259 Y C 1.953 177.978 175.900 0.209 0.000 1.146 259 Y CA 1.436 59.633 58.100 0.161 0.000 1.164 259 Y CB -0.138 38.447 38.460 0.208 0.000 0.982 259 Y HN -0.061 nan 8.280 nan 0.000 0.515 260 L N -0.343 121.136 121.223 0.427 0.000 2.046 260 L HA -0.228 4.112 4.340 -0.001 0.000 0.208 260 L C 2.606 179.696 176.870 0.367 0.000 1.077 260 L CA 1.442 56.560 54.840 0.463 0.000 0.747 260 L CB -0.520 41.747 42.059 0.348 0.000 0.896 260 L HN 0.137 nan 8.230 nan 0.000 0.432 261 R N 0.096 120.734 120.500 0.229 0.000 2.096 261 R HA -0.190 4.150 4.340 -0.001 0.000 0.235 261 R C 2.306 178.681 176.300 0.125 0.000 1.127 261 R CA 1.252 57.450 56.100 0.164 0.000 0.968 261 R CB -0.259 30.119 30.300 0.131 0.000 0.861 261 R HN 0.301 nan 8.270 nan 0.000 0.440 262 K N 0.739 121.186 120.400 0.079 0.000 2.097 262 K HA -0.139 4.181 4.320 -0.001 0.000 0.205 262 K C 2.009 178.573 176.600 -0.059 0.000 1.050 262 K CA 0.904 57.185 56.287 -0.009 0.000 0.938 262 K CB 0.011 32.468 32.500 -0.071 0.000 0.718 262 K HN 0.014 nan 8.250 nan 0.000 0.442 263 L N -0.187 120.994 121.223 -0.070 0.000 2.095 263 L HA -0.035 4.305 4.340 -0.001 0.000 0.204 263 L C 1.457 178.213 176.870 -0.189 0.000 1.080 263 L CA 1.595 56.333 54.840 -0.169 0.000 0.759 263 L CB -0.206 41.744 42.059 -0.182 0.000 0.914 263 L HN 0.166 nan 8.230 nan 0.000 0.439 264 Y N -1.753 118.569 120.300 0.036 0.000 2.500 264 Y HA 0.172 4.721 4.550 -0.001 0.000 0.284 264 Y C 2.024 177.938 175.900 0.023 0.000 1.118 264 Y CA 0.672 58.794 58.100 0.037 0.000 1.241 264 Y CB 0.149 38.646 38.460 0.062 0.000 1.171 264 Y HN -0.009 nan 8.280 nan 0.000 0.540 265 L N -1.129 120.198 121.223 0.173 0.000 2.408 265 L HA 0.131 4.471 4.340 -0.001 0.000 0.215 265 L C 0.001 176.905 176.870 0.058 0.000 1.081 265 L CA 0.038 54.939 54.840 0.102 0.000 0.840 265 L CB -0.155 41.955 42.059 0.085 0.000 1.002 265 L HN -0.004 nan 8.230 nan 0.000 0.468 266 D N 0.000 120.426 120.400 0.043 0.000 6.856 266 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 266 D CA 0.000 54.012 54.000 0.019 0.000 0.868 266 D CB 0.000 40.806 40.800 0.011 0.000 0.688 266 D HN 0.000 nan 8.370 nan 0.000 0.683