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 1bwd_1_A DATA FIRST_RESID 1 DATA SEQUENCE RSLVSVHNEW DPLEEVIVGT AVGARVPTAD RSVFAVEYAG DYESQEQIPS DATA SEQUENCE GAYPDRVLKE TEEELHVLAA ELTKLGVTVR RPGPRDHSAL IKTPDWETDG DATA SEQUENCE FHDYCPRDGL LSVGQTIIET PMALRSRFLE SLAYKDLLLE YFASGSRWLS DATA SEQUENCE APKPRLTDDS YAPQAPAGER LTDEEPVFDA ANVLRFGTDL LYLVSDSGNE DATA SEQUENCE LGAKWLQSAV GDTYTVHPCR KLYASTHVDS TIVPLRPGLV LTNPSRVNDE DATA SEQUENCE NMPDFLRSWE NITCPELVDI GFTGDKPHCS VWIGMNLLVV RPDLAVVDRR DATA SEQUENCE QTALIRLLEK HGMNVLPLQL THSRTLGGGF HCATLDVRRT GALETYQF 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 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.297 176.300 -0.005 0.000 0.893 1 R CA 0.000 56.099 56.100 -0.002 0.000 0.921 1 R CB 0.000 30.300 30.300 0.000 0.000 0.687 2 S N 1.815 117.510 115.700 -0.008 0.000 2.558 2 S HA 0.042 4.512 4.470 -0.000 0.000 0.287 2 S C 1.119 175.695 174.600 -0.040 0.000 1.321 2 S CA -0.167 58.024 58.200 -0.016 0.000 1.048 2 S CB 0.542 63.733 63.200 -0.015 0.000 0.844 2 S HN 0.596 nan 8.310 nan 0.000 0.512 3 L N 2.874 124.065 121.223 -0.053 0.000 2.418 3 L HA 0.182 4.522 4.340 -0.000 0.000 0.218 3 L C 0.182 176.897 176.870 -0.259 0.000 1.125 3 L CA 0.089 54.869 54.840 -0.102 0.000 0.835 3 L CB 0.088 42.157 42.059 0.016 0.000 0.953 3 L HN 0.523 nan 8.230 nan 0.000 0.454 4 V N -0.099 119.644 119.914 -0.285 0.000 2.304 4 V HA 0.211 4.331 4.120 -0.000 0.000 0.262 4 V C -0.003 175.977 176.094 -0.191 0.000 1.061 4 V CA 0.023 62.135 62.300 -0.313 0.000 0.872 4 V CB 0.855 32.491 31.823 -0.313 0.000 1.077 4 V HN 0.101 nan 8.190 nan 0.000 0.480 5 S N 4.024 119.609 115.700 -0.191 0.000 2.776 5 S HA 0.708 5.178 4.470 -0.000 0.000 0.284 5 S C -1.227 173.191 174.600 -0.304 0.000 1.160 5 S CA -0.427 57.656 58.200 -0.194 0.000 1.051 5 S CB 1.462 64.607 63.200 -0.090 0.000 1.037 5 S HN 0.601 nan 8.310 nan 0.000 0.485 6 V N 6.098 125.704 119.914 -0.514 0.000 2.737 6 V HA 0.479 4.599 4.120 -0.000 0.000 0.298 6 V C -1.057 174.645 176.094 -0.653 0.000 1.163 6 V CA -0.378 61.627 62.300 -0.491 0.000 0.925 6 V CB 1.807 33.468 31.823 -0.270 0.000 1.037 6 V HN 1.056 nan 8.190 nan 0.000 0.433 7 H N 4.326 123.353 119.070 -0.071 0.000 2.827 7 H HA 0.424 4.980 4.556 -0.000 0.000 0.269 7 H C 0.416 175.671 175.328 -0.121 0.000 1.031 7 H CA 0.466 56.495 56.048 -0.031 0.000 1.202 7 H CB 0.573 30.344 29.762 0.015 0.000 1.511 7 H HN 0.796 nan 8.280 nan 0.000 0.517 8 N N -1.621 116.921 118.700 -0.262 0.000 3.179 8 N HA 0.029 4.768 4.740 -0.000 0.000 0.250 8 N C -0.198 174.989 175.510 -0.538 0.000 1.507 8 N CA -0.601 52.107 53.050 -0.570 0.000 0.883 8 N CB 0.862 38.555 38.487 -1.324 0.000 1.435 8 N HN -0.251 nan 8.380 nan 0.000 0.532 9 E N -1.296 118.601 120.200 -0.505 0.000 2.427 9 E HA 0.131 4.481 4.350 -0.000 0.000 0.196 9 E C 0.089 176.724 176.600 0.059 0.000 1.028 9 E CA 1.139 57.474 56.400 -0.109 0.000 0.864 9 E CB -0.099 29.632 29.700 0.051 0.000 0.813 9 E HN 0.691 nan 8.360 nan 0.000 0.514 10 W N -1.787 119.515 121.300 0.003 0.000 2.661 10 W HA 0.427 5.087 4.660 -0.000 0.000 0.288 10 W C -0.084 176.451 176.519 0.026 0.000 1.014 10 W CA -0.555 56.798 57.345 0.014 0.000 1.396 10 W CB -0.056 29.412 29.460 0.013 0.000 0.963 10 W HN -0.341 nan 8.180 nan 0.000 0.584 11 D N 3.055 123.318 120.400 -0.228 0.000 2.346 11 D HA 0.012 4.652 4.640 -0.000 0.000 0.236 11 D C -2.143 174.173 176.300 0.025 0.000 1.259 11 D CA -0.965 53.021 54.000 -0.024 0.000 0.898 11 D CB 0.176 40.917 40.800 -0.098 0.000 1.178 11 D HN -0.198 nan 8.370 nan 0.000 0.457 12 P HA 0.008 nan 4.420 nan 0.000 0.258 12 P C -0.086 177.223 177.300 0.015 0.000 1.214 12 P CA -0.337 62.787 63.100 0.040 0.000 0.872 12 P CB -0.016 31.710 31.700 0.043 0.000 0.890 13 L N 3.997 125.229 121.223 0.015 0.000 2.660 13 L HA -0.094 4.246 4.340 -0.000 0.000 0.272 13 L C 1.217 178.089 176.870 0.003 0.000 1.194 13 L CA 1.215 56.056 54.840 0.003 0.000 0.945 13 L CB -0.271 41.796 42.059 0.014 0.000 1.212 13 L HN 0.413 nan 8.230 nan 0.000 0.490 14 E N 3.090 123.285 120.200 -0.009 0.000 2.244 14 E HA 0.087 4.437 4.350 -0.000 0.000 0.196 14 E C -0.104 176.497 176.600 0.001 0.000 0.939 14 E CA 0.224 56.622 56.400 -0.004 0.000 0.884 14 E CB 0.632 30.323 29.700 -0.013 0.000 0.850 14 E HN 0.694 nan 8.360 nan 0.000 0.481 15 E N 0.904 121.099 120.200 -0.009 0.000 2.304 15 E HA 0.331 4.681 4.350 -0.000 0.000 0.277 15 E C -1.490 175.113 176.600 0.005 0.000 0.898 15 E CA -0.512 55.895 56.400 0.010 0.000 0.764 15 E CB 1.953 31.663 29.700 0.016 0.000 1.216 15 E HN -0.114 nan 8.360 nan 0.000 0.419 16 V N 2.730 122.663 119.914 0.032 0.000 3.126 16 V HA 0.622 4.742 4.120 -0.000 0.000 0.314 16 V C -0.140 175.996 176.094 0.070 0.000 1.138 16 V CA -1.005 61.315 62.300 0.034 0.000 1.034 16 V CB 1.839 33.684 31.823 0.035 0.000 1.075 16 V HN 0.671 nan 8.190 nan 0.000 0.442 17 I N 0.658 121.270 120.570 0.070 0.000 2.433 17 I HA 0.439 4.609 4.170 -0.000 0.000 0.292 17 I C 0.413 176.583 176.117 0.087 0.000 1.001 17 I CA -0.342 61.023 61.300 0.107 0.000 1.119 17 I CB 2.080 40.168 38.000 0.147 0.000 1.289 17 I HN 0.410 nan 8.210 nan 0.000 0.438 18 V N 4.004 123.977 119.914 0.098 0.000 2.602 18 V HA 0.516 4.636 4.120 -0.000 0.000 0.235 18 V C 0.692 176.837 176.094 0.086 0.000 1.087 18 V CA 0.727 63.077 62.300 0.083 0.000 1.117 18 V CB 0.040 31.921 31.823 0.097 0.000 0.820 18 V HN 1.011 nan 8.190 nan 0.000 0.490 19 G N 0.784 109.651 108.800 0.111 0.000 2.906 19 G HA2 0.033 3.993 3.960 -0.000 0.000 0.686 19 G HA3 0.033 3.993 3.960 -0.000 0.000 0.686 19 G C -0.412 174.583 174.900 0.159 0.000 1.170 19 G CA -0.411 44.768 45.100 0.131 0.000 0.775 19 G HN 0.526 nan 8.290 nan 0.000 0.630 20 T N -0.276 114.378 114.554 0.167 0.000 2.897 20 T HA 0.804 5.154 4.350 -0.000 0.000 0.278 20 T C 1.247 176.048 174.700 0.168 0.000 0.981 20 T CA 0.259 62.451 62.100 0.155 0.000 0.973 20 T CB 2.112 71.050 68.868 0.117 0.000 1.092 20 T HN 1.990 nan 8.240 nan 0.000 0.543 21 A N -0.155 122.704 122.820 0.065 0.000 2.469 21 A HA 0.480 4.800 4.320 -0.000 0.000 0.245 21 A C 1.903 179.487 177.584 0.000 0.000 1.221 21 A CA -0.250 51.753 52.037 -0.057 0.000 0.946 21 A CB -0.532 18.360 19.000 -0.180 0.000 1.049 21 A HN 0.573 nan 8.150 nan 0.000 0.529 22 V N 0.246 120.198 119.914 0.064 0.000 2.252 22 V HA -0.278 3.842 4.120 -0.000 0.000 0.255 22 V C 2.042 178.209 176.094 0.121 0.000 1.071 22 V CA 2.558 64.908 62.300 0.084 0.000 1.050 22 V CB -0.419 31.456 31.823 0.087 0.000 0.654 22 V HN 0.651 nan 8.190 nan 0.000 0.448 23 G N -1.697 107.233 108.800 0.218 0.000 4.250 23 G HA2 0.530 4.490 3.960 -0.000 0.000 0.295 23 G HA3 0.530 4.490 3.960 -0.000 0.000 0.295 23 G C 0.173 175.185 174.900 0.187 0.000 1.081 23 G CA 0.392 45.644 45.100 0.252 0.000 0.854 23 G HN 0.649 nan 8.290 nan 0.000 0.524 24 A N 1.412 124.289 122.820 0.094 0.000 2.584 24 A HA 0.520 4.840 4.320 -0.000 0.000 0.239 24 A C 0.862 178.559 177.584 0.189 0.000 1.043 24 A CA 0.373 52.484 52.037 0.123 0.000 0.756 24 A CB 0.079 19.110 19.000 0.053 0.000 0.963 24 A HN 0.825 nan 8.150 nan 0.000 0.511 25 R N 0.456 120.990 120.500 0.057 0.000 2.831 25 R HA 0.725 5.065 4.340 -0.000 0.000 0.266 25 R C -1.937 174.173 176.300 -0.316 0.000 1.051 25 R CA -0.907 55.077 56.100 -0.193 0.000 0.943 25 R CB 1.182 31.434 30.300 -0.080 0.000 1.228 25 R HN 0.326 nan 8.270 nan 0.000 0.467 26 V N 2.648 122.315 119.914 -0.412 0.000 2.370 26 V HA 0.393 4.513 4.120 -0.000 0.000 0.283 26 V C -1.907 174.107 176.094 -0.134 0.000 1.023 26 V CA -2.004 60.125 62.300 -0.286 0.000 0.857 26 V CB 1.348 32.941 31.823 -0.384 0.000 0.985 26 V HN 0.737 nan 8.190 nan 0.000 0.443 27 P HA 0.063 nan 4.420 nan 0.000 0.274 27 P C 0.207 177.483 177.300 -0.040 0.000 1.260 27 P CA -0.054 63.066 63.100 0.034 0.000 0.793 27 P CB 0.422 32.200 31.700 0.130 0.000 1.048 28 T N -0.365 114.169 114.554 -0.033 0.000 2.903 28 T HA 0.294 4.644 4.350 -0.000 0.000 0.314 28 T C 0.394 175.045 174.700 -0.081 0.000 1.078 28 T CA -0.205 61.857 62.100 -0.063 0.000 1.114 28 T CB -0.418 68.427 68.868 -0.038 0.000 0.987 28 T HN 0.496 nan 8.240 nan 0.000 0.548 29 A N 3.533 126.282 122.820 -0.118 0.000 2.531 29 A HA 0.444 4.764 4.320 -0.000 0.000 0.236 29 A C 0.359 177.879 177.584 -0.106 0.000 1.062 29 A CA -0.108 51.844 52.037 -0.140 0.000 0.760 29 A CB 0.028 18.913 19.000 -0.190 0.000 0.995 29 A HN 0.960 nan 8.150 nan 0.000 0.501 30 D N 1.003 121.346 120.400 -0.094 0.000 2.747 30 D HA 0.068 4.708 4.640 -0.000 0.000 0.218 30 D C 0.658 176.911 176.300 -0.078 0.000 1.230 30 D CA -0.593 53.351 54.000 -0.094 0.000 0.774 30 D CB 0.736 41.467 40.800 -0.115 0.000 1.667 30 D HN 0.534 nan 8.370 nan 0.000 0.499 31 R N 1.504 121.959 120.500 -0.075 0.000 2.162 31 R HA -0.293 4.047 4.340 -0.000 0.000 0.245 31 R C 2.077 178.207 176.300 -0.284 0.000 1.129 31 R CA 3.389 59.458 56.100 -0.051 0.000 0.940 31 R CB -0.448 29.845 30.300 -0.011 0.000 0.875 31 R HN 0.529 nan 8.270 nan 0.000 0.437 32 S N -0.461 114.826 115.700 -0.689 0.000 2.359 32 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 32 S C 2.095 176.404 174.600 -0.486 0.000 1.035 32 S CA 1.534 59.024 58.200 -1.184 0.000 1.018 32 S CB -0.921 61.620 63.200 -1.098 0.000 0.876 32 S HN 0.276 nan 8.310 nan 0.000 0.448 33 V N 0.581 120.364 119.914 -0.218 0.000 2.407 33 V HA -0.046 4.074 4.120 -0.000 0.000 0.248 33 V C 2.063 178.250 176.094 0.154 0.000 1.055 33 V CA 2.059 64.362 62.300 0.005 0.000 1.049 33 V CB -0.833 31.062 31.823 0.121 0.000 0.662 33 V HN 0.545 nan 8.190 nan 0.000 0.455 34 F N 1.443 121.382 119.950 -0.018 0.000 2.051 34 F HA -0.096 4.431 4.527 -0.000 0.000 0.296 34 F C 2.292 178.104 175.800 0.020 0.000 1.122 34 F CA 1.877 59.908 58.000 0.052 0.000 1.201 34 F CB -1.146 37.853 39.000 -0.001 0.000 0.978 34 F HN 0.181 nan 8.300 nan 0.000 0.472 35 A N 0.015 122.775 122.820 -0.100 0.000 1.873 35 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 35 A C 2.360 179.867 177.584 -0.128 0.000 1.193 35 A CA 2.904 54.845 52.037 -0.161 0.000 0.629 35 A CB -1.692 17.305 19.000 -0.006 0.000 0.826 35 A HN 0.567 nan 8.150 nan 0.000 0.447 36 V N -2.271 117.583 119.914 -0.100 0.000 2.788 36 V HA 0.018 4.138 4.120 -0.000 0.000 0.251 36 V C 1.593 177.620 176.094 -0.112 0.000 1.068 36 V CA 2.387 64.645 62.300 -0.070 0.000 1.090 36 V CB -0.080 31.722 31.823 -0.035 0.000 0.710 36 V HN 0.597 nan 8.190 nan 0.000 0.467 37 E N -1.443 118.682 120.200 -0.125 0.000 2.357 37 E HA 0.138 4.488 4.350 -0.000 0.000 0.202 37 E C 1.334 177.731 176.600 -0.339 0.000 0.855 37 E CA 0.524 56.776 56.400 -0.247 0.000 1.048 37 E CB 0.370 29.894 29.700 -0.293 0.000 1.037 37 E HN 0.698 nan 8.360 nan 0.000 0.499 38 Y N -0.226 120.121 120.300 0.078 0.000 2.467 38 Y HA 0.371 4.921 4.550 -0.000 0.000 0.250 38 Y C 0.739 176.666 175.900 0.044 0.000 1.155 38 Y CA -0.125 58.085 58.100 0.184 0.000 1.249 38 Y CB 1.007 39.681 38.460 0.358 0.000 1.146 38 Y HN -0.058 nan 8.280 nan 0.000 0.524 39 A N 0.475 123.113 122.820 -0.304 0.000 3.135 39 A HA 0.566 4.886 4.320 -0.000 0.000 0.253 39 A C 1.439 178.880 177.584 -0.238 0.000 1.638 39 A CA 0.781 52.397 52.037 -0.702 0.000 1.295 39 A CB -1.194 17.012 19.000 -1.322 0.000 1.106 39 A HN 0.471 nan 8.150 nan 0.000 0.648 40 G N -1.148 107.619 108.800 -0.055 0.000 3.668 40 G HA2 0.141 4.101 3.960 -0.000 0.000 0.185 40 G HA3 0.141 4.101 3.960 -0.000 0.000 0.185 40 G C 0.184 175.075 174.900 -0.015 0.000 1.159 40 G CA 0.417 45.496 45.100 -0.034 0.000 0.875 40 G HN 0.372 nan 8.290 nan 0.000 0.689 41 D N -0.626 119.777 120.400 0.006 0.000 2.434 41 D HA 0.207 4.847 4.640 -0.000 0.000 0.288 41 D C -0.264 175.899 176.300 -0.229 0.000 1.083 41 D CA 0.295 54.209 54.000 -0.144 0.000 0.903 41 D CB 0.759 41.415 40.800 -0.241 0.000 1.476 41 D HN 0.300 nan 8.370 nan 0.000 0.502 42 Y N 1.549 121.972 120.300 0.205 0.000 2.420 42 Y HA 0.277 4.827 4.550 -0.000 0.000 0.334 42 Y C 1.655 177.725 175.900 0.283 0.000 1.094 42 Y CA -0.608 57.625 58.100 0.222 0.000 1.126 42 Y CB 1.770 40.369 38.460 0.232 0.000 1.217 42 Y HN -0.293 nan 8.280 nan 0.000 0.462 43 E N 0.791 121.189 120.200 0.329 0.000 2.106 43 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 43 E C -0.133 176.612 176.600 0.242 0.000 0.984 43 E CA 1.209 57.751 56.400 0.237 0.000 0.806 43 E CB 0.260 30.039 29.700 0.131 0.000 0.750 43 E HN 0.563 nan 8.360 nan 0.000 0.458 44 S N -1.697 114.041 115.700 0.063 0.000 2.537 44 S HA 0.050 4.520 4.470 -0.000 0.000 0.271 44 S C 0.554 174.670 174.600 -0.806 0.000 1.148 44 S CA -0.557 57.401 58.200 -0.402 0.000 0.868 44 S CB 1.531 64.593 63.200 -0.229 0.000 1.115 44 S HN 0.181 nan 8.310 nan 0.000 0.461 45 Q N 1.357 120.196 119.800 -1.602 0.000 2.290 45 Q HA -0.235 4.105 4.340 -0.000 0.000 0.211 45 Q C 0.970 176.674 176.000 -0.494 0.000 0.991 45 Q CA 2.198 57.375 55.803 -1.043 0.000 0.893 45 Q CB -0.638 27.649 28.738 -0.752 0.000 0.913 45 Q HN 0.835 nan 8.270 nan 0.000 0.428 46 E N 0.867 120.835 120.200 -0.386 0.000 2.338 46 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 46 E C 1.557 178.000 176.600 -0.261 0.000 1.007 46 E CA 0.876 57.119 56.400 -0.261 0.000 0.849 46 E CB -0.100 29.488 29.700 -0.186 0.000 0.774 46 E HN 0.670 nan 8.360 nan 0.000 0.506 47 Q N 0.334 119.957 119.800 -0.296 0.000 2.424 47 Q HA 0.145 4.485 4.340 -0.000 0.000 0.204 47 Q C 0.612 176.186 176.000 -0.710 0.000 0.933 47 Q CA -0.200 55.415 55.803 -0.313 0.000 0.929 47 Q CB 0.236 28.936 28.738 -0.063 0.000 1.037 47 Q HN 0.236 nan 8.270 nan 0.000 0.511 48 I N 3.744 123.834 120.570 -0.801 0.000 2.845 48 I HA -0.079 4.091 4.170 -0.000 0.000 0.296 48 I C -1.727 173.944 176.117 -0.744 0.000 1.216 48 I CA -0.951 59.716 61.300 -1.056 0.000 1.438 48 I CB 0.507 38.081 38.000 -0.710 0.000 1.342 48 I HN -0.012 nan 8.210 nan 0.000 0.577 49 P HA 0.077 nan 4.420 nan 0.000 0.226 49 P C -0.416 176.662 177.300 -0.371 0.000 1.783 49 P CA -0.200 62.654 63.100 -0.409 0.000 0.980 49 P CB -0.195 31.333 31.700 -0.287 0.000 1.967 50 S N 0.721 116.222 115.700 -0.332 0.000 2.560 50 S HA 0.424 4.894 4.470 -0.000 0.000 0.276 50 S C 1.099 175.555 174.600 -0.239 0.000 1.350 50 S CA 1.045 59.087 58.200 -0.262 0.000 1.024 50 S CB 0.024 63.108 63.200 -0.194 0.000 0.864 50 S HN 0.750 nan 8.310 nan 0.000 0.536 51 G N -0.446 108.217 108.800 -0.229 0.000 2.357 51 G HA2 0.427 4.387 3.960 -0.000 0.000 0.643 51 G HA3 0.427 4.387 3.960 -0.000 0.000 0.643 51 G C -0.799 173.930 174.900 -0.284 0.000 1.358 51 G CA -0.563 44.412 45.100 -0.209 0.000 0.986 51 G HN 1.083 nan 8.290 nan 0.000 0.620 52 A N 0.058 122.760 122.820 -0.195 0.000 2.409 52 A HA 0.688 5.007 4.320 -0.000 0.000 0.262 52 A C 0.162 177.627 177.584 -0.198 0.000 1.113 52 A CA -0.224 51.709 52.037 -0.172 0.000 0.790 52 A CB -0.019 18.948 19.000 -0.055 0.000 1.046 52 A HN 1.156 nan 8.150 nan 0.000 0.496 53 Y N 2.463 122.707 120.300 -0.093 0.000 2.652 53 Y HA 0.174 4.724 4.550 -0.000 0.000 0.344 53 Y C -1.317 174.521 175.900 -0.104 0.000 1.254 53 Y CA -0.859 57.174 58.100 -0.112 0.000 1.480 53 Y CB -0.222 38.146 38.460 -0.153 0.000 1.345 53 Y HN 0.511 nan 8.280 nan 0.000 0.617 54 P HA -0.091 nan 4.420 nan 0.000 0.266 54 P C 0.132 177.413 177.300 -0.031 0.000 1.195 54 P CA 0.153 63.249 63.100 -0.007 0.000 0.768 54 P CB 0.799 32.488 31.700 -0.020 0.000 0.838 55 D N 2.121 122.504 120.400 -0.027 0.000 2.133 55 D HA -0.201 4.439 4.640 -0.000 0.000 0.195 55 D C 1.892 178.161 176.300 -0.052 0.000 0.997 55 D CA 1.414 55.395 54.000 -0.030 0.000 0.840 55 D CB 0.102 40.892 40.800 -0.017 0.000 0.947 55 D HN 0.466 nan 8.370 nan 0.000 0.452 56 R N 0.677 121.144 120.500 -0.055 0.000 2.094 56 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 56 R C 2.584 178.804 176.300 -0.133 0.000 1.137 56 R CA 1.917 57.984 56.100 -0.055 0.000 0.943 56 R CB -0.394 29.886 30.300 -0.033 0.000 0.850 56 R HN 0.205 nan 8.270 nan 0.000 0.433 57 V N -0.607 119.108 119.914 -0.332 0.000 2.343 57 V HA -0.189 3.931 4.120 -0.000 0.000 0.247 57 V C 2.008 177.905 176.094 -0.329 0.000 1.051 57 V CA 1.809 63.670 62.300 -0.732 0.000 1.036 57 V CB -0.602 30.634 31.823 -0.980 0.000 0.654 57 V HN 0.303 nan 8.190 nan 0.000 0.451 58 L N -0.658 120.444 121.223 -0.202 0.000 2.056 58 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 58 L C 2.805 179.637 176.870 -0.063 0.000 1.078 58 L CA 1.993 56.755 54.840 -0.130 0.000 0.749 58 L CB -0.780 41.235 42.059 -0.073 0.000 0.901 58 L HN 0.289 nan 8.230 nan 0.000 0.433 59 K N 0.796 121.173 120.400 -0.037 0.000 1.978 59 K HA -0.189 4.131 4.320 -0.000 0.000 0.214 59 K C 1.998 178.612 176.600 0.023 0.000 1.049 59 K CA 1.634 57.919 56.287 -0.003 0.000 0.939 59 K CB -0.286 32.216 32.500 0.002 0.000 0.721 59 K HN 0.259 nan 8.250 nan 0.000 0.441 60 E N -0.752 119.477 120.200 0.050 0.000 2.058 60 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 60 E C 1.901 178.557 176.600 0.093 0.000 0.997 60 E CA 1.929 58.389 56.400 0.099 0.000 0.801 60 E CB -0.262 29.566 29.700 0.214 0.000 0.746 60 E HN 0.584 nan 8.360 nan 0.000 0.450 61 T N -0.985 113.624 114.554 0.092 0.000 2.951 61 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 61 T C 1.822 176.543 174.700 0.035 0.000 1.073 61 T CA 1.232 63.355 62.100 0.039 0.000 1.134 61 T CB -0.006 68.824 68.868 -0.063 0.000 0.884 61 T HN 0.007 nan 8.240 nan 0.000 0.479 62 E N 2.227 122.442 120.200 0.025 0.000 2.106 62 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 62 E C 2.319 178.970 176.600 0.085 0.000 0.984 62 E CA 1.443 57.872 56.400 0.049 0.000 0.806 62 E CB -0.232 29.484 29.700 0.026 0.000 0.750 62 E HN 0.840 nan 8.360 nan 0.000 0.458 63 E N 0.435 120.684 120.200 0.082 0.000 2.107 63 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 63 E C 1.744 178.424 176.600 0.133 0.000 0.982 63 E CA 1.118 57.588 56.400 0.116 0.000 0.809 63 E CB -0.387 29.368 29.700 0.092 0.000 0.756 63 E HN 0.383 nan 8.360 nan 0.000 0.459 64 E N 0.607 120.867 120.200 0.101 0.000 2.085 64 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 64 E C 2.105 178.785 176.600 0.133 0.000 0.994 64 E CA 0.894 57.355 56.400 0.102 0.000 0.801 64 E CB -0.100 29.644 29.700 0.073 0.000 0.743 64 E HN 0.160 nan 8.360 nan 0.000 0.453 65 L N 0.612 121.918 121.223 0.139 0.000 2.093 65 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 65 L C 2.318 179.304 176.870 0.193 0.000 1.085 65 L CA 1.736 56.673 54.840 0.161 0.000 0.755 65 L CB -0.812 41.340 42.059 0.156 0.000 0.904 65 L HN 0.191 nan 8.230 nan 0.000 0.435 66 H N -1.176 117.937 119.070 0.072 0.000 2.353 66 H HA -0.093 4.463 4.556 -0.000 0.000 0.300 66 H C 2.060 177.426 175.328 0.064 0.000 1.090 66 H CA 1.866 57.950 56.048 0.060 0.000 1.327 66 H CB -0.105 29.687 29.762 0.049 0.000 1.383 66 H HN 0.102 nan 8.280 nan 0.000 0.508 67 V N 1.043 120.960 119.914 0.004 0.000 2.343 67 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 67 V C 2.853 178.938 176.094 -0.015 0.000 1.051 67 V CA 1.656 63.915 62.300 -0.068 0.000 1.036 67 V CB -0.800 31.031 31.823 0.012 0.000 0.654 67 V HN 0.429 nan 8.190 nan 0.000 0.451 68 L N 0.399 121.669 121.223 0.079 0.000 1.989 68 L HA -0.213 4.126 4.340 -0.000 0.000 0.211 68 L C 2.617 179.528 176.870 0.068 0.000 1.071 68 L CA 2.378 57.288 54.840 0.116 0.000 0.749 68 L CB -0.720 41.469 42.059 0.216 0.000 0.890 68 L HN 0.378 nan 8.230 nan 0.000 0.431 69 A N -0.294 122.569 122.820 0.072 0.000 1.940 69 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 69 A C 2.432 180.024 177.584 0.012 0.000 1.176 69 A CA 1.806 53.884 52.037 0.067 0.000 0.631 69 A CB -0.766 18.311 19.000 0.128 0.000 0.814 69 A HN 0.607 nan 8.150 nan 0.000 0.446 70 A N -0.371 122.402 122.820 -0.079 0.000 1.877 70 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 70 A C 1.979 179.529 177.584 -0.056 0.000 1.186 70 A CA 1.657 53.619 52.037 -0.125 0.000 0.620 70 A CB -0.442 18.387 19.000 -0.287 0.000 0.822 70 A HN 0.485 nan 8.150 nan 0.000 0.443 71 E N -0.076 120.099 120.200 -0.043 0.000 2.106 71 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 71 E C 2.080 178.675 176.600 -0.009 0.000 0.984 71 E CA 0.786 57.171 56.400 -0.025 0.000 0.806 71 E CB -0.356 29.330 29.700 -0.024 0.000 0.750 71 E HN 0.660 nan 8.360 nan 0.000 0.458 72 L N 0.704 121.930 121.223 0.005 0.000 2.093 72 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 72 L C 2.544 179.423 176.870 0.015 0.000 1.085 72 L CA 1.166 56.015 54.840 0.014 0.000 0.755 72 L CB -0.550 41.528 42.059 0.031 0.000 0.904 72 L HN 0.104 nan 8.230 nan 0.000 0.435 73 T N -0.425 114.138 114.554 0.015 0.000 2.684 73 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 73 T C 1.922 176.628 174.700 0.010 0.000 1.036 73 T CA 1.196 63.306 62.100 0.017 0.000 1.148 73 T CB -0.084 68.796 68.868 0.019 0.000 0.863 73 T HN 0.244 nan 8.240 nan 0.000 0.436 74 K N 0.554 120.954 120.400 0.001 0.000 2.103 74 K HA -0.039 4.281 4.320 -0.000 0.000 0.207 74 K C 1.877 178.479 176.600 0.003 0.000 1.048 74 K CA 0.877 57.163 56.287 -0.001 0.000 0.930 74 K CB -0.286 32.209 32.500 -0.008 0.000 0.716 74 K HN 0.218 nan 8.250 nan 0.000 0.444 75 L N -0.075 121.150 121.223 0.003 0.000 2.551 75 L HA -0.022 4.318 4.340 -0.000 0.000 0.228 75 L C 1.370 178.246 176.870 0.010 0.000 1.153 75 L CA 1.506 56.349 54.840 0.006 0.000 0.851 75 L CB -1.025 41.037 42.059 0.005 0.000 0.959 75 L HN 0.546 nan 8.230 nan 0.000 0.451 76 G N -0.984 107.823 108.800 0.012 0.000 2.157 76 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.239 76 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.239 76 G C 0.332 175.243 174.900 0.017 0.000 0.982 76 G CA 0.225 45.334 45.100 0.015 0.000 0.650 76 G HN 0.148 nan 8.290 nan 0.000 0.527 77 V N 0.812 120.737 119.914 0.019 0.000 2.732 77 V HA 0.572 4.692 4.120 -0.000 0.000 0.297 77 V C 1.007 177.118 176.094 0.029 0.000 1.060 77 V CA 0.182 62.496 62.300 0.022 0.000 1.038 77 V CB 1.600 33.437 31.823 0.024 0.000 1.003 77 V HN 0.239 nan 8.190 nan 0.000 0.481 78 T N 3.733 118.306 114.554 0.033 0.000 2.728 78 T HA 0.408 4.757 4.350 -0.000 0.000 0.296 78 T C -0.227 174.506 174.700 0.054 0.000 0.940 78 T CA -0.118 62.008 62.100 0.043 0.000 1.013 78 T CB 0.759 69.655 68.868 0.048 0.000 0.912 78 T HN 0.411 nan 8.240 nan 0.000 0.484 79 V N 6.441 126.390 119.914 0.057 0.000 2.394 79 V HA 0.541 4.661 4.120 -0.000 0.000 0.282 79 V C 0.126 176.264 176.094 0.072 0.000 1.031 79 V CA -0.922 61.418 62.300 0.067 0.000 0.881 79 V CB 1.140 33.004 31.823 0.069 0.000 0.982 79 V HN 0.671 nan 8.190 nan 0.000 0.451 80 R N 4.438 124.988 120.500 0.084 0.000 2.711 80 R HA 0.688 5.028 4.340 -0.000 0.000 0.284 80 R C -0.616 175.732 176.300 0.081 0.000 0.968 80 R CA -0.757 55.388 56.100 0.076 0.000 0.924 80 R CB 2.037 32.390 30.300 0.089 0.000 1.162 80 R HN 0.624 nan 8.270 nan 0.000 0.465 81 R N 1.435 121.969 120.500 0.057 0.000 2.803 81 R HA 0.506 4.846 4.340 -0.000 0.000 0.276 81 R C -2.183 174.122 176.300 0.008 0.000 0.978 81 R CA -1.917 54.214 56.100 0.053 0.000 0.939 81 R CB 1.212 31.540 30.300 0.048 0.000 1.179 81 R HN 0.339 nan 8.270 nan 0.000 0.472 82 P HA 0.015 nan 4.420 nan 0.000 0.271 82 P C -0.032 177.171 177.300 -0.162 0.000 1.238 82 P CA -0.145 62.826 63.100 -0.214 0.000 0.794 82 P CB 0.351 31.886 31.700 -0.275 0.000 0.959 83 G N 0.294 108.959 108.800 -0.225 0.000 2.522 83 G HA2 0.515 4.475 3.960 -0.000 0.000 0.304 83 G HA3 0.515 4.475 3.960 -0.000 0.000 0.304 83 G C -2.442 172.396 174.900 -0.104 0.000 1.210 83 G CA -1.123 43.901 45.100 -0.127 0.000 0.960 83 G HN 0.402 nan 8.290 nan 0.000 0.497 84 P HA 0.368 nan 4.420 nan 0.000 0.279 84 P C -0.743 176.501 177.300 -0.094 0.000 1.239 84 P CA -0.320 62.742 63.100 -0.064 0.000 0.789 84 P CB 1.485 33.158 31.700 -0.046 0.000 0.933 85 R N 1.217 121.626 120.500 -0.152 0.000 2.604 85 R HA 0.335 4.675 4.340 -0.000 0.000 0.270 85 R C -1.565 174.497 176.300 -0.396 0.000 1.052 85 R CA -0.660 55.302 56.100 -0.231 0.000 0.902 85 R CB 1.199 31.367 30.300 -0.220 0.000 1.233 85 R HN 0.278 nan 8.270 nan 0.000 0.455 86 D N 1.998 122.244 120.400 -0.257 0.000 2.295 86 D HA 0.140 4.779 4.640 -0.000 0.000 0.248 86 D C -0.129 176.022 176.300 -0.248 0.000 1.154 86 D CA -0.071 53.800 54.000 -0.214 0.000 0.857 86 D CB 0.954 41.707 40.800 -0.079 0.000 1.117 86 D HN 0.737 nan 8.370 nan 0.000 0.468 87 H N 0.782 119.891 119.070 0.065 0.000 2.539 87 H HA 0.090 4.646 4.556 -0.000 0.000 0.269 87 H C 1.631 177.001 175.328 0.070 0.000 0.980 87 H CA 0.641 56.741 56.048 0.086 0.000 1.152 87 H CB 0.545 30.375 29.762 0.112 0.000 1.407 87 H HN 0.348 nan 8.280 nan 0.000 0.564 88 S N -0.133 115.635 115.700 0.112 0.000 2.511 88 S HA 0.307 4.777 4.470 -0.000 0.000 0.214 88 S C 1.265 175.897 174.600 0.053 0.000 0.997 88 S CA -0.189 58.056 58.200 0.076 0.000 0.908 88 S CB 0.182 63.412 63.200 0.051 0.000 0.803 88 S HN 0.324 nan 8.310 nan 0.000 0.504 89 A N 2.654 125.500 122.820 0.044 0.000 2.520 89 A HA 0.467 4.787 4.320 -0.000 0.000 0.245 89 A C 0.388 178.007 177.584 0.059 0.000 1.072 89 A CA -0.306 51.752 52.037 0.036 0.000 0.761 89 A CB -0.101 18.912 19.000 0.021 0.000 1.004 89 A HN 0.597 nan 8.150 nan 0.000 0.499 90 L N 3.076 124.330 121.223 0.051 0.000 2.426 90 L HA 0.266 4.606 4.340 -0.000 0.000 0.271 90 L C 0.196 177.112 176.870 0.077 0.000 1.169 90 L CA 0.082 54.959 54.840 0.063 0.000 0.836 90 L CB 0.612 42.697 42.059 0.043 0.000 1.112 90 L HN 0.644 nan 8.230 nan 0.000 0.465 91 I N 1.222 121.859 120.570 0.111 0.000 2.433 91 I HA 0.513 4.683 4.170 -0.000 0.000 0.292 91 I C -0.660 175.515 176.117 0.097 0.000 1.001 91 I CA -0.753 60.622 61.300 0.125 0.000 1.119 91 I CB 1.952 40.080 38.000 0.212 0.000 1.289 91 I HN 0.566 nan 8.210 nan 0.000 0.438 92 K N 4.946 125.331 120.400 -0.025 0.000 2.565 92 K HA 0.438 4.758 4.320 -0.000 0.000 0.249 92 K C -0.864 175.542 176.600 -0.324 0.000 0.958 92 K CA -0.107 56.104 56.287 -0.126 0.000 0.806 92 K CB 2.624 35.085 32.500 -0.064 0.000 1.194 92 K HN 0.995 nan 8.250 nan 0.000 0.434 93 T N 0.481 114.655 114.554 -0.634 0.000 2.937 93 T HA 0.481 4.831 4.350 -0.000 0.000 0.283 93 T C -1.922 172.463 174.700 -0.524 0.000 1.012 93 T CA -1.743 59.915 62.100 -0.737 0.000 0.997 93 T CB 1.455 69.541 68.868 -1.303 0.000 1.136 93 T HN 0.248 nan 8.240 nan 0.000 0.551 94 P HA -0.034 nan 4.420 nan 0.000 0.215 94 P C 0.956 178.099 177.300 -0.261 0.000 1.153 94 P CA 1.081 64.026 63.100 -0.260 0.000 0.853 94 P CB 0.045 31.627 31.700 -0.196 0.000 0.788 95 D N -1.548 118.624 120.400 -0.379 0.000 2.123 95 D HA -0.039 4.601 4.640 -0.000 0.000 0.200 95 D C 1.061 177.272 176.300 -0.148 0.000 0.976 95 D CA 0.998 54.846 54.000 -0.253 0.000 0.831 95 D CB -0.017 40.658 40.800 -0.208 0.000 0.974 95 D HN 0.387 nan 8.370 nan 0.000 0.469 96 W N 0.139 121.390 121.300 -0.081 0.000 3.018 96 W HA 0.677 5.337 4.660 -0.000 0.000 0.382 96 W C -0.897 175.571 176.519 -0.084 0.000 1.161 96 W CA -0.732 56.572 57.345 -0.068 0.000 1.144 96 W CB 1.247 30.677 29.460 -0.051 0.000 1.499 96 W HN -0.341 nan 8.180 nan 0.000 0.596 97 E N 0.717 121.178 120.200 0.434 0.000 2.343 97 E HA 0.616 4.966 4.350 -0.000 0.000 0.278 97 E C -1.247 175.490 176.600 0.229 0.000 0.910 97 E CA -0.212 56.352 56.400 0.274 0.000 0.757 97 E CB 2.643 32.411 29.700 0.113 0.000 1.218 97 E HN 0.504 nan 8.360 nan 0.000 0.435 98 T N 0.525 115.193 114.554 0.190 0.000 2.677 98 T HA 0.322 4.672 4.350 -0.000 0.000 0.305 98 T C -1.500 173.263 174.700 0.106 0.000 1.569 98 T CA -1.128 61.036 62.100 0.107 0.000 0.984 98 T CB 0.867 69.766 68.868 0.051 0.000 1.629 98 T HN 0.488 nan 8.240 nan 0.000 0.494 99 D N -0.441 120.010 120.400 0.086 0.000 2.449 99 D HA 0.600 5.240 4.640 -0.000 0.000 0.250 99 D C 0.515 176.901 176.300 0.143 0.000 1.050 99 D CA -0.684 53.377 54.000 0.103 0.000 1.024 99 D CB 1.058 41.904 40.800 0.078 0.000 1.218 99 D HN 0.827 nan 8.370 nan 0.000 0.566 100 G N -1.284 107.628 108.800 0.188 0.000 2.543 100 G HA2 0.341 4.301 3.960 -0.000 0.000 0.290 100 G HA3 0.341 4.301 3.960 -0.000 0.000 0.290 100 G C -0.485 174.590 174.900 0.291 0.000 1.310 100 G CA -0.449 44.804 45.100 0.254 0.000 1.025 100 G HN 0.335 nan 8.290 nan 0.000 0.502 101 F N -0.383 119.593 119.950 0.042 0.000 2.384 101 F HA 0.367 4.894 4.527 -0.000 0.000 0.244 101 F C 0.949 176.657 175.800 -0.154 0.000 1.105 101 F CA 1.373 59.325 58.000 -0.081 0.000 1.005 101 F CB 0.036 38.894 39.000 -0.237 0.000 1.097 101 F HN 0.686 nan 8.300 nan 0.000 0.619 102 H N -2.981 116.078 119.070 -0.019 0.000 2.950 102 H HA 0.320 4.876 4.556 -0.000 0.000 0.307 102 H C -1.765 173.540 175.328 -0.037 0.000 1.403 102 H CA -1.226 54.582 56.048 -0.400 0.000 1.145 102 H CB 0.149 29.798 29.762 -0.187 0.000 1.844 102 H HN 0.045 nan 8.280 nan 0.000 0.515 103 D N 0.580 121.141 120.400 0.269 0.000 2.892 103 D HA 0.024 4.664 4.640 -0.000 0.000 0.291 103 D C -0.307 176.227 176.300 0.391 0.000 1.341 103 D CA 0.155 54.382 54.000 0.378 0.000 0.844 103 D CB 0.141 41.114 40.800 0.289 0.000 1.093 103 D HN 0.508 nan 8.370 nan 0.000 0.480 104 Y N -0.263 120.255 120.300 0.364 0.000 2.478 104 Y HA 0.164 4.714 4.550 -0.000 0.000 0.261 104 Y C 0.337 176.320 175.900 0.138 0.000 1.127 104 Y CA -0.035 58.115 58.100 0.083 0.000 1.288 104 Y CB 0.426 38.698 38.460 -0.313 0.000 1.084 104 Y HN -0.055 nan 8.280 nan 0.000 0.530 105 C N 3.161 122.547 119.300 0.143 0.000 3.188 105 C HA 0.328 4.788 4.460 -0.000 0.000 0.230 105 C C -1.408 173.621 174.990 0.065 0.000 1.239 105 C CA -1.318 57.692 59.018 -0.013 0.000 1.494 105 C CB 0.320 28.137 27.740 0.128 0.000 1.798 105 C HN 0.282 nan 8.230 nan 0.000 0.458 106 P HA -0.145 nan 4.420 nan 0.000 0.220 106 P C 1.703 178.933 177.300 -0.117 0.000 1.144 106 P CA 1.069 64.174 63.100 0.007 0.000 0.800 106 P CB 0.182 31.913 31.700 0.051 0.000 0.772 107 R N 0.200 120.620 120.500 -0.133 0.000 2.105 107 R HA -0.155 4.185 4.340 -0.000 0.000 0.239 107 R C 1.622 177.818 176.300 -0.174 0.000 1.135 107 R CA 1.784 57.772 56.100 -0.186 0.000 0.967 107 R CB -0.864 29.291 30.300 -0.242 0.000 0.861 107 R HN 0.063 nan 8.270 nan 0.000 0.442 108 D N -1.379 118.935 120.400 -0.142 0.000 2.149 108 D HA -0.100 4.540 4.640 -0.000 0.000 0.198 108 D C 1.087 177.294 176.300 -0.155 0.000 0.990 108 D CA 1.763 55.668 54.000 -0.158 0.000 0.839 108 D CB -0.068 40.718 40.800 -0.023 0.000 0.948 108 D HN 0.520 nan 8.370 nan 0.000 0.460 109 G N -1.110 107.601 108.800 -0.149 0.000 4.530 109 G HA2 0.354 4.314 3.960 -0.000 0.000 0.284 109 G HA3 0.354 4.314 3.960 -0.000 0.000 0.284 109 G C -0.584 174.215 174.900 -0.169 0.000 1.008 109 G CA -0.197 44.802 45.100 -0.170 0.000 0.770 109 G HN -0.003 nan 8.290 nan 0.000 0.424 110 L N 1.147 122.274 121.223 -0.159 0.000 2.441 110 L HA 0.631 4.970 4.340 -0.000 0.000 0.270 110 L C -1.046 175.771 176.870 -0.088 0.000 0.973 110 L CA -0.941 53.816 54.840 -0.139 0.000 0.842 110 L CB 2.060 43.977 42.059 -0.236 0.000 1.239 110 L HN 0.080 nan 8.230 nan 0.000 0.406 111 L N 3.669 124.876 121.223 -0.027 0.000 2.305 111 L HA 0.718 5.058 4.340 -0.000 0.000 0.284 111 L C -0.307 176.558 176.870 -0.008 0.000 1.013 111 L CA 0.058 54.900 54.840 0.003 0.000 0.819 111 L CB 1.767 43.882 42.059 0.094 0.000 1.227 111 L HN 0.681 nan 8.230 nan 0.000 0.417 112 S N 3.490 119.162 115.700 -0.047 0.000 2.520 112 S HA 0.416 4.886 4.470 -0.000 0.000 0.324 112 S C 0.426 174.975 174.600 -0.084 0.000 1.069 112 S CA -0.723 57.434 58.200 -0.072 0.000 1.121 112 S CB 1.281 64.412 63.200 -0.116 0.000 0.971 112 S HN 0.422 nan 8.310 nan 0.000 0.463 113 V N 2.373 122.239 119.914 -0.081 0.000 3.431 113 V HA 0.418 4.538 4.120 -0.000 0.000 0.253 113 V C 1.522 177.594 176.094 -0.038 0.000 1.184 113 V CA 1.082 63.316 62.300 -0.111 0.000 1.104 113 V CB -0.372 31.293 31.823 -0.264 0.000 0.799 113 V HN 0.926 nan 8.190 nan 0.000 0.462 114 G N -0.585 108.195 108.800 -0.034 0.000 3.311 114 G HA2 0.109 4.069 3.960 -0.000 0.000 0.130 114 G HA3 0.109 4.069 3.960 -0.000 0.000 0.130 114 G C 0.429 175.301 174.900 -0.047 0.000 1.323 114 G CA 0.210 45.320 45.100 0.016 0.000 1.262 114 G HN 0.237 nan 8.290 nan 0.000 0.678 115 Q N 0.745 120.560 119.800 0.026 0.000 2.217 115 Q HA 0.396 4.736 4.340 -0.000 0.000 0.217 115 Q C -0.119 175.896 176.000 0.024 0.000 0.844 115 Q CA 0.231 56.038 55.803 0.007 0.000 0.957 115 Q CB 1.533 30.295 28.738 0.040 0.000 1.127 115 Q HN 0.359 nan 8.270 nan 0.000 0.503 116 T N 0.346 114.918 114.554 0.030 0.000 2.867 116 T HA 0.538 4.887 4.350 -0.000 0.000 0.282 116 T C -0.276 174.451 174.700 0.045 0.000 1.000 116 T CA -0.394 61.744 62.100 0.063 0.000 1.042 116 T CB 1.117 70.023 68.868 0.064 0.000 0.973 116 T HN 0.035 nan 8.240 nan 0.000 0.465 117 I N 3.262 123.896 120.570 0.108 0.000 2.378 117 I HA 0.446 4.616 4.170 -0.000 0.000 0.291 117 I C -0.539 175.692 176.117 0.191 0.000 0.992 117 I CA -0.780 60.584 61.300 0.107 0.000 1.154 117 I CB 1.535 39.579 38.000 0.072 0.000 1.315 117 I HN 0.447 nan 8.210 nan 0.000 0.448 118 I N 6.009 126.664 120.570 0.142 0.000 2.355 118 I HA 0.240 4.410 4.170 -0.000 0.000 0.288 118 I C -0.041 176.135 176.117 0.097 0.000 0.999 118 I CA -0.651 60.751 61.300 0.171 0.000 1.163 118 I CB 1.366 39.510 38.000 0.240 0.000 1.316 118 I HN 0.487 nan 8.210 nan 0.000 0.454 119 E N 5.277 125.519 120.200 0.070 0.000 2.166 119 E HA 0.144 4.494 4.350 -0.000 0.000 0.279 119 E C 0.250 176.749 176.600 -0.169 0.000 1.095 119 E CA -0.299 56.077 56.400 -0.040 0.000 0.888 119 E CB 0.757 30.442 29.700 -0.025 0.000 1.041 119 E HN 0.623 nan 8.360 nan 0.000 0.414 120 T N 0.395 114.787 114.554 -0.270 0.000 2.828 120 T HA 0.243 4.593 4.350 -0.000 0.000 0.290 120 T C -2.193 172.164 174.700 -0.572 0.000 1.019 120 T CA -1.831 59.917 62.100 -0.585 0.000 1.031 120 T CB 1.045 69.412 68.868 -0.835 0.000 1.001 120 T HN 0.152 nan 8.240 nan 0.000 0.531 121 P HA 0.314 nan 4.420 nan 0.000 0.232 121 P C -0.295 176.796 177.300 -0.347 0.000 1.814 121 P CA -0.642 62.172 63.100 -0.476 0.000 1.085 121 P CB -0.269 31.143 31.700 -0.480 0.000 1.901 122 M N 2.222 121.655 119.600 -0.278 0.000 2.255 122 M HA -0.006 4.474 4.480 -0.000 0.000 0.356 122 M C 1.497 177.752 176.300 -0.075 0.000 1.338 122 M CA 0.310 55.506 55.300 -0.173 0.000 0.962 122 M CB 0.594 33.099 32.600 -0.158 0.000 1.877 122 M HN 0.364 nan 8.290 nan 0.000 0.463 123 A N 4.776 127.581 122.820 -0.026 0.000 2.067 123 A HA 0.061 4.381 4.320 -0.000 0.000 0.219 123 A C 0.621 178.247 177.584 0.070 0.000 1.158 123 A CA 0.749 52.827 52.037 0.069 0.000 0.661 123 A CB -0.242 18.820 19.000 0.103 0.000 0.801 123 A HN 0.639 nan 8.150 nan 0.000 0.452 124 L N 0.076 121.256 121.223 -0.073 0.000 2.264 124 L HA 0.347 4.687 4.340 -0.000 0.000 0.289 124 L C 1.235 177.982 176.870 -0.205 0.000 1.044 124 L CA -0.300 54.431 54.840 -0.182 0.000 0.807 124 L CB 1.129 43.007 42.059 -0.302 0.000 1.192 124 L HN 0.266 nan 8.230 nan 0.000 0.425 125 R N 0.795 121.078 120.500 -0.361 0.000 2.139 125 R HA -0.176 4.164 4.340 -0.000 0.000 0.243 125 R C 1.835 177.979 176.300 -0.259 0.000 1.145 125 R CA 1.563 57.298 56.100 -0.610 0.000 0.976 125 R CB -0.378 29.037 30.300 -1.474 0.000 0.866 125 R HN 0.815 nan 8.270 nan 0.000 0.449 126 S N 0.911 116.513 115.700 -0.163 0.000 2.442 126 S HA -0.099 4.371 4.470 -0.000 0.000 0.236 126 S C 1.307 175.934 174.600 0.045 0.000 1.007 126 S CA 0.962 59.161 58.200 -0.001 0.000 0.965 126 S CB -0.135 63.097 63.200 0.054 0.000 0.773 126 S HN 0.381 nan 8.310 nan 0.000 0.504 127 R N -0.410 120.064 120.500 -0.043 0.000 2.552 127 R HA 0.334 4.674 4.340 -0.000 0.000 0.314 127 R C 0.715 177.047 176.300 0.053 0.000 1.041 127 R CA -0.308 55.772 56.100 -0.033 0.000 1.076 127 R CB -0.357 29.822 30.300 -0.202 0.000 1.290 127 R HN 0.323 nan 8.270 nan 0.000 0.563 128 F N 1.291 121.256 119.950 0.024 0.000 2.161 128 F HA -0.098 4.429 4.527 -0.000 0.000 0.300 128 F C 0.959 176.814 175.800 0.091 0.000 1.089 128 F CA 1.501 59.567 58.000 0.110 0.000 1.282 128 F CB 0.333 39.527 39.000 0.324 0.000 1.010 128 F HN -0.034 nan 8.300 nan 0.000 0.485 129 L N 0.000 121.322 121.223 0.166 0.000 3.168 129 L HA 0.199 4.539 4.340 -0.000 0.000 0.277 129 L C 1.213 178.150 176.870 0.112 0.000 1.308 129 L CA -0.228 54.667 54.840 0.092 0.000 0.976 129 L CB 0.244 42.416 42.059 0.188 0.000 1.383 129 L HN -0.063 nan 8.230 nan 0.000 0.572 130 E N 1.472 121.717 120.200 0.075 0.000 2.114 130 E HA -0.277 4.073 4.350 -0.000 0.000 0.199 130 E C 2.139 178.879 176.600 0.233 0.000 1.008 130 E CA 2.137 58.613 56.400 0.126 0.000 0.810 130 E CB 0.136 29.851 29.700 0.024 0.000 0.739 130 E HN 0.465 nan 8.360 nan 0.000 0.456 131 S N -0.830 114.971 115.700 0.168 0.000 2.607 131 S HA -0.026 4.444 4.470 -0.000 0.000 0.224 131 S C 1.762 176.560 174.600 0.330 0.000 0.969 131 S CA 0.410 58.772 58.200 0.271 0.000 0.927 131 S CB -0.242 63.051 63.200 0.155 0.000 0.772 131 S HN 0.305 nan 8.310 nan 0.000 0.533 132 L N 2.070 123.428 121.223 0.225 0.000 2.046 132 L HA 0.156 4.496 4.340 -0.000 0.000 0.208 132 L C 2.638 179.572 176.870 0.106 0.000 1.077 132 L CA 1.843 56.774 54.840 0.152 0.000 0.747 132 L CB -1.172 40.955 42.059 0.112 0.000 0.896 132 L HN 0.416 nan 8.230 nan 0.000 0.432 133 A N -1.828 121.028 122.820 0.059 0.000 2.125 133 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 133 A C 1.232 178.624 177.584 -0.320 0.000 1.156 133 A CA 1.361 53.289 52.037 -0.181 0.000 0.671 133 A CB -0.815 17.993 19.000 -0.319 0.000 0.794 133 A HN 0.610 nan 8.150 nan 0.000 0.459 134 Y N -1.416 118.911 120.300 0.045 0.000 2.636 134 Y HA 0.309 4.859 4.550 -0.000 0.000 0.260 134 Y C 1.672 177.562 175.900 -0.017 0.000 1.177 134 Y CA -0.259 57.845 58.100 0.007 0.000 1.209 134 Y CB -0.033 38.437 38.460 0.016 0.000 1.166 134 Y HN 0.147 nan 8.280 nan 0.000 0.531 135 K N 1.034 121.512 120.400 0.130 0.000 2.032 135 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 135 K C 1.298 177.910 176.600 0.019 0.000 1.048 135 K CA 2.185 58.545 56.287 0.122 0.000 0.927 135 K CB -0.034 32.547 32.500 0.134 0.000 0.712 135 K HN 0.213 nan 8.250 nan 0.000 0.441 136 D N 0.166 120.556 120.400 -0.016 0.000 2.117 136 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 136 D C 1.959 178.161 176.300 -0.163 0.000 0.987 136 D CA 0.908 54.870 54.000 -0.063 0.000 0.829 136 D CB -0.233 40.538 40.800 -0.049 0.000 0.961 136 D HN 0.093 nan 8.370 nan 0.000 0.460 137 L N 0.312 121.413 121.223 -0.203 0.000 1.970 137 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 137 L C 2.321 178.801 176.870 -0.650 0.000 1.071 137 L CA 0.958 55.532 54.840 -0.444 0.000 0.751 137 L CB -0.465 41.388 42.059 -0.344 0.000 0.889 137 L HN 0.022 nan 8.230 nan 0.000 0.432 138 L N -1.301 119.651 121.223 -0.452 0.000 2.043 138 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 138 L C 2.359 178.811 176.870 -0.697 0.000 1.075 138 L CA 1.478 55.933 54.840 -0.642 0.000 0.752 138 L CB -1.206 40.313 42.059 -0.900 0.000 0.891 138 L HN 0.187 nan 8.230 nan 0.000 0.432 139 L N -0.291 120.669 121.223 -0.437 0.000 2.042 139 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 139 L C 2.647 179.493 176.870 -0.040 0.000 1.076 139 L CA 1.904 56.673 54.840 -0.120 0.000 0.749 139 L CB -0.918 41.149 42.059 0.012 0.000 0.893 139 L HN 0.515 nan 8.230 nan 0.000 0.432 140 E N -1.696 118.409 120.200 -0.158 0.000 2.028 140 E HA -0.253 4.097 4.350 -0.000 0.000 0.191 140 E C 2.281 178.865 176.600 -0.026 0.000 0.988 140 E CA 1.113 57.440 56.400 -0.122 0.000 0.799 140 E CB -0.308 29.259 29.700 -0.221 0.000 0.755 140 E HN 0.381 nan 8.360 nan 0.000 0.447 141 Y N 0.178 120.419 120.300 -0.098 0.000 2.069 141 Y HA -0.244 4.306 4.550 -0.000 0.000 0.278 141 Y C 2.248 178.128 175.900 -0.034 0.000 1.175 141 Y CA 1.265 59.309 58.100 -0.093 0.000 1.134 141 Y CB -1.445 36.919 38.460 -0.160 0.000 0.965 141 Y HN 0.223 nan 8.280 nan 0.000 0.498 142 F N 0.747 120.673 119.950 -0.041 0.000 2.027 142 F HA -0.173 4.354 4.527 -0.000 0.000 0.297 142 F C 1.776 177.622 175.800 0.077 0.000 1.129 142 F CA 1.110 59.136 58.000 0.044 0.000 1.195 142 F CB -1.015 38.067 39.000 0.137 0.000 0.960 142 F HN -0.072 nan 8.300 nan 0.000 0.485 143 A N -0.247 122.471 122.820 -0.171 0.000 3.076 143 A HA 0.390 4.710 4.320 -0.000 0.000 0.269 143 A C 1.043 178.549 177.584 -0.130 0.000 1.916 143 A CA 0.962 52.848 52.037 -0.252 0.000 1.492 143 A CB -1.309 17.636 19.000 -0.092 0.000 1.000 143 A HN 0.737 nan 8.150 nan 0.000 0.615 144 S N -0.580 115.045 115.700 -0.125 0.000 2.284 144 S HA 0.298 4.767 4.470 -0.000 0.000 0.213 144 S C 1.050 175.625 174.600 -0.041 0.000 0.861 144 S CA 1.117 59.291 58.200 -0.043 0.000 1.663 144 S CB -0.870 62.343 63.200 0.022 0.000 1.253 144 S HN 2.300 nan 8.310 nan 0.000 0.584 145 G N 1.012 109.768 108.800 -0.073 0.000 2.163 145 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.213 145 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.213 145 G C 0.003 174.928 174.900 0.041 0.000 0.991 145 G CA 0.056 45.137 45.100 -0.032 0.000 0.653 145 G HN 1.063 nan 8.290 nan 0.000 0.518 146 S N 0.292 116.037 115.700 0.074 0.000 2.549 146 S HA 0.436 4.906 4.470 -0.000 0.000 0.279 146 S C 0.687 175.432 174.600 0.243 0.000 1.321 146 S CA -0.334 57.934 58.200 0.112 0.000 1.054 146 S CB 1.367 64.608 63.200 0.067 0.000 0.899 146 S HN 0.590 nan 8.310 nan 0.000 0.497 147 R N 1.671 122.294 120.500 0.205 0.000 2.389 147 R HA 0.134 4.474 4.340 -0.000 0.000 0.295 147 R C -1.306 175.195 176.300 0.335 0.000 1.075 147 R CA -0.260 55.998 56.100 0.263 0.000 1.005 147 R CB 0.380 30.781 30.300 0.167 0.000 0.987 147 R HN 0.661 nan 8.270 nan 0.000 0.452 148 W N 7.821 129.191 121.300 0.116 0.000 2.391 148 W HA 0.319 4.979 4.660 -0.000 0.000 0.312 148 W C -2.020 174.492 176.519 -0.011 0.000 1.003 148 W CA -1.056 56.312 57.345 0.039 0.000 1.375 148 W CB 0.375 29.826 29.460 -0.015 0.000 1.253 148 W HN 0.387 nan 8.180 nan 0.000 0.416 149 L N 3.570 124.898 121.223 0.175 0.000 2.304 149 L HA 0.684 5.024 4.340 -0.000 0.000 0.268 149 L C 0.130 177.013 176.870 0.021 0.000 1.010 149 L CA -0.932 53.927 54.840 0.032 0.000 0.813 149 L CB 1.735 43.868 42.059 0.123 0.000 1.315 149 L HN 0.291 nan 8.230 nan 0.000 0.445 150 S N -0.004 115.690 115.700 -0.009 0.000 2.549 150 S HA 0.900 5.370 4.470 -0.000 0.000 0.280 150 S C -0.812 173.798 174.600 0.017 0.000 1.109 150 S CA -0.325 57.855 58.200 -0.033 0.000 0.905 150 S CB 1.547 64.653 63.200 -0.157 0.000 1.081 150 S HN 0.861 nan 8.310 nan 0.000 0.477 151 A N 3.725 126.430 122.820 -0.192 0.000 2.304 151 A HA 0.724 5.044 4.320 -0.000 0.000 0.271 151 A C -2.586 174.792 177.584 -0.343 0.000 1.091 151 A CA -1.465 50.246 52.037 -0.543 0.000 0.812 151 A CB -0.683 17.543 19.000 -1.291 0.000 1.056 151 A HN 0.669 nan 8.150 nan 0.000 0.489 152 P HA 0.028 nan 4.420 nan 0.000 0.264 152 P C -0.585 176.600 177.300 -0.191 0.000 1.183 152 P CA 0.151 63.153 63.100 -0.163 0.000 0.763 152 P CB 0.311 31.947 31.700 -0.105 0.000 0.807 153 K N 4.819 125.140 120.400 -0.131 0.000 2.383 153 K HA 0.174 4.494 4.320 -0.000 0.000 0.286 153 K C -1.834 174.797 176.600 0.053 0.000 1.051 153 K CA -1.181 55.035 56.287 -0.118 0.000 0.974 153 K CB -0.184 32.253 32.500 -0.106 0.000 0.968 153 K HN 0.428 nan 8.250 nan 0.000 0.475 154 P HA 0.120 nan 4.420 nan 0.000 0.272 154 P C 0.475 177.923 177.300 0.246 0.000 1.223 154 P CA -0.229 62.950 63.100 0.132 0.000 0.784 154 P CB 0.973 32.736 31.700 0.106 0.000 0.923 155 R N 1.058 121.655 120.500 0.161 0.000 2.062 155 R HA -0.032 4.308 4.340 -0.000 0.000 0.229 155 R C 0.473 176.968 176.300 0.325 0.000 1.128 155 R CA 0.451 56.653 56.100 0.169 0.000 0.960 155 R CB -0.496 29.858 30.300 0.090 0.000 0.855 155 R HN 0.312 nan 8.270 nan 0.000 0.432 156 L N 1.948 123.323 121.223 0.254 0.000 3.597 156 L HA -0.199 4.141 4.340 -0.000 0.000 0.440 156 L C 0.052 177.127 176.870 0.341 0.000 1.277 156 L CA 1.352 56.357 54.840 0.275 0.000 0.852 156 L CB -2.211 40.085 42.059 0.394 0.000 1.708 156 L HN 0.544 nan 8.230 nan 0.000 0.885 157 T N -5.678 109.009 114.554 0.223 0.000 2.732 157 T HA 0.278 4.627 4.350 -0.000 0.000 0.287 157 T C 1.165 175.975 174.700 0.183 0.000 0.993 157 T CA 0.054 62.286 62.100 0.220 0.000 0.966 157 T CB 0.696 69.643 68.868 0.132 0.000 1.047 157 T HN 0.187 nan 8.240 nan 0.000 0.527 158 D N 0.772 121.282 120.400 0.183 0.000 2.182 158 D HA -0.107 4.532 4.640 -0.000 0.000 0.201 158 D C 1.881 178.262 176.300 0.135 0.000 0.986 158 D CA 1.454 55.571 54.000 0.195 0.000 0.847 158 D CB -0.358 40.528 40.800 0.144 0.000 0.942 158 D HN 0.827 nan 8.370 nan 0.000 0.467 159 D N -0.502 119.933 120.400 0.058 0.000 2.265 159 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 159 D C 1.470 177.724 176.300 -0.077 0.000 0.977 159 D CA 0.721 54.725 54.000 0.006 0.000 0.871 159 D CB -0.435 40.381 40.800 0.027 0.000 0.925 159 D HN -0.020 nan 8.370 nan 0.000 0.485 160 S N -1.351 114.209 115.700 -0.233 0.000 2.562 160 S HA 0.077 4.547 4.470 -0.000 0.000 0.221 160 S C -0.444 173.772 174.600 -0.641 0.000 0.975 160 S CA -0.254 57.663 58.200 -0.471 0.000 0.918 160 S CB -0.104 62.708 63.200 -0.647 0.000 0.772 160 S HN 0.233 nan 8.310 nan 0.000 0.531 161 Y N -0.135 120.182 120.300 0.028 0.000 2.549 161 Y HA 0.695 5.245 4.550 -0.000 0.000 0.339 161 Y C 0.111 176.029 175.900 0.029 0.000 1.053 161 Y CA -1.728 56.386 58.100 0.023 0.000 1.105 161 Y CB 1.538 40.014 38.460 0.025 0.000 1.258 161 Y HN -0.106 nan 8.280 nan 0.000 0.478 162 A N 2.448 125.379 122.820 0.184 0.000 3.422 162 A HA 0.449 4.769 4.320 -0.000 0.000 0.271 162 A C -2.434 175.196 177.584 0.076 0.000 1.104 162 A CA -1.168 50.934 52.037 0.107 0.000 0.899 162 A CB 0.138 19.179 19.000 0.067 0.000 1.309 162 A HN 0.506 nan 8.150 nan 0.000 0.580 163 P HA -0.285 nan 4.420 nan 0.000 0.219 163 P C 1.289 178.575 177.300 -0.022 0.000 1.161 163 P CA 1.969 65.068 63.100 -0.003 0.000 0.909 163 P CB 0.209 32.007 31.700 0.164 0.000 0.793 164 Q N -0.965 118.863 119.800 0.047 0.000 2.364 164 Q HA 0.107 4.447 4.340 -0.000 0.000 0.207 164 Q C 1.081 177.097 176.000 0.028 0.000 0.970 164 Q CA 0.726 56.557 55.803 0.046 0.000 0.888 164 Q CB -0.880 27.899 28.738 0.068 0.000 0.951 164 Q HN 0.210 nan 8.270 nan 0.000 0.469 165 A N 1.854 124.689 122.820 0.024 0.000 2.366 165 A HA 0.356 4.676 4.320 -0.000 0.000 0.250 165 A C -2.117 175.473 177.584 0.011 0.000 1.099 165 A CA -1.217 50.833 52.037 0.021 0.000 0.794 165 A CB -0.441 18.574 19.000 0.026 0.000 1.056 165 A HN 0.022 nan 8.150 nan 0.000 0.499 166 P HA 0.322 nan 4.420 nan 0.000 0.271 166 P C -0.332 176.976 177.300 0.014 0.000 1.233 166 P CA 0.151 63.261 63.100 0.017 0.000 0.789 166 P CB 0.356 32.073 31.700 0.027 0.000 0.951 167 A N 1.354 124.182 122.820 0.013 0.000 2.498 167 A HA 0.439 4.759 4.320 -0.000 0.000 0.239 167 A C 1.384 178.983 177.584 0.025 0.000 1.068 167 A CA 0.613 52.656 52.037 0.010 0.000 0.766 167 A CB -1.408 17.598 19.000 0.011 0.000 1.003 167 A HN 0.893 nan 8.150 nan 0.000 0.497 168 G N 0.856 109.666 108.800 0.016 0.000 2.136 168 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.242 168 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.242 168 G C 0.122 175.037 174.900 0.024 0.000 0.989 168 G CA 0.770 45.881 45.100 0.020 0.000 0.682 168 G HN 0.922 nan 8.290 nan 0.000 0.522 169 E N -1.261 118.953 120.200 0.024 0.000 2.858 169 E HA 0.144 4.494 4.350 -0.000 0.000 0.195 169 E C 1.729 178.347 176.600 0.030 0.000 0.952 169 E CA -0.313 56.104 56.400 0.027 0.000 1.294 169 E CB 0.305 30.021 29.700 0.027 0.000 1.048 169 E HN 0.493 nan 8.360 nan 0.000 0.485 170 R N 0.360 120.881 120.500 0.034 0.000 2.393 170 R HA 0.229 4.569 4.340 -0.000 0.000 0.244 170 R C 0.115 176.471 176.300 0.093 0.000 0.920 170 R CA -0.093 56.037 56.100 0.050 0.000 1.076 170 R CB 0.440 30.753 30.300 0.022 0.000 1.119 170 R HN -0.069 nan 8.270 nan 0.000 0.524 171 L N 1.761 123.024 121.223 0.066 0.000 2.318 171 L HA 0.249 4.589 4.340 -0.000 0.000 0.277 171 L C 0.252 177.122 176.870 0.000 0.000 1.008 171 L CA -0.340 54.528 54.840 0.046 0.000 0.846 171 L CB 1.607 43.707 42.059 0.068 0.000 1.220 171 L HN 0.101 nan 8.230 nan 0.000 0.423 172 T N 0.072 114.596 114.554 -0.050 0.000 2.698 172 T HA 0.216 4.566 4.350 -0.000 0.000 0.295 172 T C 0.170 174.851 174.700 -0.031 0.000 1.007 172 T CA -0.291 61.789 62.100 -0.034 0.000 0.980 172 T CB 0.684 69.526 68.868 -0.042 0.000 1.036 172 T HN 0.630 nan 8.240 nan 0.000 0.526 173 D N -0.474 119.918 120.400 -0.013 0.000 2.736 173 D HA 0.234 4.874 4.640 -0.000 0.000 0.293 173 D C 0.782 177.079 176.300 -0.005 0.000 1.241 173 D CA -0.423 53.577 54.000 0.001 0.000 0.965 173 D CB 0.119 40.927 40.800 0.014 0.000 0.992 173 D HN 0.513 nan 8.370 nan 0.000 0.510 174 E N 1.077 121.263 120.200 -0.022 0.000 2.364 174 E HA 0.098 4.448 4.350 -0.000 0.000 0.196 174 E C 0.064 176.662 176.600 -0.004 0.000 0.990 174 E CA 0.528 56.918 56.400 -0.016 0.000 0.886 174 E CB 0.696 30.377 29.700 -0.032 0.000 0.866 174 E HN 0.689 nan 8.360 nan 0.000 0.493 175 E N -0.028 120.170 120.200 -0.003 0.000 2.388 175 E HA 0.338 4.688 4.350 -0.000 0.000 0.280 175 E C -3.027 173.583 176.600 0.017 0.000 1.019 175 E CA -2.425 53.979 56.400 0.007 0.000 0.806 175 E CB 1.194 30.892 29.700 -0.004 0.000 1.246 175 E HN -0.300 nan 8.360 nan 0.000 0.443 176 P HA -0.011 nan 4.420 nan 0.000 0.256 176 P C -0.597 176.718 177.300 0.025 0.000 1.189 176 P CA 0.071 63.205 63.100 0.056 0.000 0.808 176 P CB 0.310 31.996 31.700 -0.024 0.000 0.793 177 V N 4.724 124.713 119.914 0.124 0.000 2.789 177 V HA 0.936 5.056 4.120 -0.000 0.000 0.311 177 V C -1.354 174.910 176.094 0.284 0.000 1.073 177 V CA -1.149 61.199 62.300 0.080 0.000 0.921 177 V CB 1.751 33.587 31.823 0.021 0.000 1.009 177 V HN 0.431 nan 8.190 nan 0.000 0.426 178 F N 1.560 121.519 119.950 0.015 0.000 2.654 178 F HA 0.624 5.151 4.527 -0.000 0.000 0.315 178 F C -1.567 174.220 175.800 -0.022 0.000 1.042 178 F CA -0.890 57.130 58.000 0.033 0.000 1.048 178 F CB 0.223 39.317 39.000 0.157 0.000 1.287 178 F HN 0.514 nan 8.300 nan 0.000 0.501 179 D N 2.545 122.964 120.400 0.032 0.000 2.304 179 D HA 0.537 5.177 4.640 -0.000 0.000 0.247 179 D C 1.043 177.332 176.300 -0.018 0.000 1.089 179 D CA 0.396 54.347 54.000 -0.081 0.000 0.910 179 D CB 1.969 42.774 40.800 0.008 0.000 1.199 179 D HN 0.842 nan 8.370 nan 0.000 0.426 180 A N 2.026 124.791 122.820 -0.092 0.000 1.940 180 A HA -0.138 4.181 4.320 -0.000 0.000 0.219 180 A C 1.884 179.428 177.584 -0.067 0.000 1.176 180 A CA 1.896 53.939 52.037 0.010 0.000 0.631 180 A CB -0.677 18.289 19.000 -0.056 0.000 0.814 180 A HN 0.589 nan 8.150 nan 0.000 0.446 181 A N -0.568 122.094 122.820 -0.264 0.000 2.277 181 A HA -0.077 4.243 4.320 -0.000 0.000 0.208 181 A C 1.343 178.748 177.584 -0.298 0.000 1.202 181 A CA 1.452 53.245 52.037 -0.408 0.000 0.762 181 A CB -0.663 17.749 19.000 -0.980 0.000 0.770 181 A HN 0.582 nan 8.150 nan 0.000 0.487 182 N N -1.389 117.209 118.700 -0.170 0.000 2.236 182 N HA 0.191 4.931 4.740 -0.000 0.000 0.196 182 N C -0.432 174.962 175.510 -0.193 0.000 1.114 182 N CA 0.257 53.211 53.050 -0.161 0.000 0.859 182 N CB 0.819 39.152 38.487 -0.257 0.000 0.982 182 N HN 0.193 nan 8.380 nan 0.000 0.493 183 V N 1.112 120.982 119.914 -0.073 0.000 2.581 183 V HA 0.481 4.601 4.120 -0.000 0.000 0.303 183 V C -0.715 175.418 176.094 0.065 0.000 1.041 183 V CA -0.829 61.483 62.300 0.020 0.000 0.907 183 V CB 2.164 34.038 31.823 0.086 0.000 0.994 183 V HN -0.076 nan 8.190 nan 0.000 0.442 184 L N 4.715 126.013 121.223 0.123 0.000 2.401 184 L HA 0.675 5.014 4.340 -0.000 0.000 0.266 184 L C -0.288 176.658 176.870 0.127 0.000 0.991 184 L CA -0.427 54.469 54.840 0.093 0.000 0.818 184 L CB 2.231 44.367 42.059 0.130 0.000 1.321 184 L HN 0.662 nan 8.230 nan 0.000 0.413 185 R N 3.488 123.964 120.500 -0.041 0.000 2.388 185 R HA 0.490 4.830 4.340 -0.000 0.000 0.314 185 R C -1.483 174.786 176.300 -0.051 0.000 0.959 185 R CA -0.413 55.712 56.100 0.042 0.000 0.851 185 R CB 0.636 30.944 30.300 0.014 0.000 1.168 185 R HN 0.302 nan 8.270 nan 0.000 0.472 186 F N 2.453 122.594 119.950 0.318 0.000 2.434 186 F HA 0.333 4.860 4.527 -0.000 0.000 0.316 186 F C 1.463 177.587 175.800 0.541 0.000 1.222 186 F CA -0.183 58.148 58.000 0.552 0.000 1.207 186 F CB 0.675 40.088 39.000 0.689 0.000 1.466 186 F HN 1.023 nan 8.300 nan 0.000 0.545 187 G N 1.007 110.115 108.800 0.513 0.000 2.611 187 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.301 187 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.301 187 G C 1.280 176.374 174.900 0.324 0.000 1.233 187 G CA 0.702 46.036 45.100 0.391 0.000 0.993 187 G HN 0.348 nan 8.290 nan 0.000 0.553 188 T N 1.471 116.086 114.554 0.102 0.000 2.649 188 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 188 T C 0.968 175.763 174.700 0.158 0.000 1.036 188 T CA 1.974 64.063 62.100 -0.018 0.000 1.157 188 T CB -0.402 68.393 68.868 -0.122 0.000 0.861 188 T HN 0.589 nan 8.240 nan 0.000 0.445 189 D N 1.329 121.804 120.400 0.125 0.000 2.308 189 D HA 0.345 4.985 4.640 -0.000 0.000 0.251 189 D C -0.400 176.004 176.300 0.172 0.000 1.127 189 D CA 0.123 54.118 54.000 -0.008 0.000 0.876 189 D CB 0.998 41.440 40.800 -0.597 0.000 1.176 189 D HN 0.256 nan 8.370 nan 0.000 0.446 190 L N 3.041 124.368 121.223 0.173 0.000 2.349 190 L HA 0.295 4.635 4.340 -0.000 0.000 0.278 190 L C -0.470 176.571 176.870 0.285 0.000 0.996 190 L CA -1.087 53.896 54.840 0.238 0.000 0.825 190 L CB 1.909 44.048 42.059 0.133 0.000 1.243 190 L HN 0.126 nan 8.230 nan 0.000 0.412 191 L N 4.325 125.796 121.223 0.414 0.000 2.276 191 L HA 0.394 4.734 4.340 -0.000 0.000 0.286 191 L C -1.174 175.890 176.870 0.323 0.000 1.061 191 L CA 0.079 55.177 54.840 0.429 0.000 0.807 191 L CB 0.798 43.185 42.059 0.548 0.000 1.177 191 L HN 0.431 nan 8.230 nan 0.000 0.429 192 Y N 5.843 126.217 120.300 0.123 0.000 2.338 192 Y HA 0.492 5.042 4.550 -0.000 0.000 0.328 192 Y C -1.154 174.770 175.900 0.039 0.000 0.965 192 Y CA -1.312 56.811 58.100 0.038 0.000 1.208 192 Y CB 1.413 39.839 38.460 -0.056 0.000 1.132 192 Y HN 0.715 nan 8.280 nan 0.000 0.469 193 L N 8.603 129.782 121.223 -0.074 0.000 2.385 193 L HA 0.386 4.726 4.340 -0.000 0.000 0.281 193 L C -0.598 176.246 176.870 -0.044 0.000 1.106 193 L CA -0.229 54.595 54.840 -0.026 0.000 0.856 193 L CB 0.403 42.435 42.059 -0.044 0.000 1.186 193 L HN 0.562 nan 8.230 nan 0.000 0.453 194 V N 5.814 125.809 119.914 0.135 0.000 2.427 194 V HA 0.719 4.839 4.120 -0.000 0.000 0.268 194 V C 0.154 176.288 176.094 0.067 0.000 1.046 194 V CA 0.963 63.370 62.300 0.178 0.000 0.970 194 V CB 0.246 32.203 31.823 0.224 0.000 1.001 194 V HN 1.110 nan 8.190 nan 0.000 0.476 195 S N 3.280 119.010 115.700 0.050 0.000 3.287 195 S HA 0.434 4.904 4.470 -0.000 0.000 0.324 195 S C 0.363 174.987 174.600 0.040 0.000 1.205 195 S CA -0.017 58.200 58.200 0.029 0.000 1.020 195 S CB 1.072 64.277 63.200 0.008 0.000 1.398 195 S HN 0.538 nan 8.310 nan 0.000 0.679 196 D N 1.801 122.216 120.400 0.025 0.000 2.350 196 D HA 0.086 4.726 4.640 -0.000 0.000 0.216 196 D C 0.948 177.277 176.300 0.048 0.000 0.968 196 D CA 1.454 55.473 54.000 0.031 0.000 0.894 196 D CB -0.101 40.700 40.800 0.002 0.000 0.909 196 D HN 0.558 nan 8.370 nan 0.000 0.520 197 S N -0.838 114.895 115.700 0.054 0.000 2.558 197 S HA 0.563 5.033 4.470 -0.000 0.000 0.238 197 S C 0.298 174.967 174.600 0.115 0.000 1.183 197 S CA -0.359 57.892 58.200 0.084 0.000 1.185 197 S CB 0.765 64.012 63.200 0.078 0.000 1.003 197 S HN 0.113 nan 8.310 nan 0.000 0.478 198 G N 2.074 110.950 108.800 0.126 0.000 1.932 198 G HA2 0.184 4.144 3.960 -0.000 0.000 0.260 198 G HA3 0.184 4.144 3.960 -0.000 0.000 0.260 198 G C -1.069 173.980 174.900 0.250 0.000 1.708 198 G CA -1.010 44.215 45.100 0.209 0.000 0.912 198 G HN 0.417 nan 8.290 nan 0.000 0.710 199 N N 1.539 120.402 118.700 0.272 0.000 2.491 199 N HA 0.320 5.060 4.740 -0.000 0.000 0.279 199 N C 0.426 176.047 175.510 0.186 0.000 1.236 199 N CA -0.727 52.442 53.050 0.200 0.000 0.982 199 N CB 1.682 40.235 38.487 0.109 0.000 1.194 199 N HN 0.332 nan 8.380 nan 0.000 0.582 200 E N 0.346 120.590 120.200 0.074 0.000 2.077 200 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 200 E C 1.978 178.544 176.600 -0.057 0.000 0.989 200 E CA 0.862 57.249 56.400 -0.022 0.000 0.800 200 E CB -0.324 29.370 29.700 -0.010 0.000 0.746 200 E HN 0.523 nan 8.360 nan 0.000 0.452 201 L N 0.446 121.676 121.223 0.012 0.000 2.083 201 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 201 L C 2.495 179.415 176.870 0.084 0.000 1.083 201 L CA 1.155 56.019 54.840 0.040 0.000 0.752 201 L CB -0.636 41.458 42.059 0.058 0.000 0.899 201 L HN 0.197 nan 8.230 nan 0.000 0.433 202 G N -0.596 108.277 108.800 0.122 0.000 2.446 202 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 202 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 202 G C 1.681 176.476 174.900 -0.175 0.000 1.168 202 G CA 0.823 46.068 45.100 0.242 0.000 0.771 202 G HN 0.493 nan 8.290 nan 0.000 0.551 203 A N 0.288 122.716 122.820 -0.654 0.000 1.968 203 A HA 0.123 4.443 4.320 -0.000 0.000 0.217 203 A C 2.171 179.511 177.584 -0.407 0.000 1.169 203 A CA 1.915 53.353 52.037 -0.999 0.000 0.638 203 A CB -0.345 17.748 19.000 -1.511 0.000 0.812 203 A HN 0.394 nan 8.150 nan 0.000 0.446 204 K N -1.283 118.986 120.400 -0.219 0.000 2.001 204 K HA -0.255 4.064 4.320 -0.000 0.000 0.214 204 K C 1.871 178.444 176.600 -0.045 0.000 1.050 204 K CA 2.003 58.228 56.287 -0.103 0.000 0.934 204 K CB -0.392 32.092 32.500 -0.026 0.000 0.718 204 K HN 0.616 nan 8.250 nan 0.000 0.443 205 W N 1.457 122.694 121.300 -0.104 0.000 2.335 205 W HA -0.276 4.384 4.660 -0.000 0.000 0.311 205 W C 1.903 178.394 176.519 -0.048 0.000 1.213 205 W CA 1.504 58.831 57.345 -0.030 0.000 1.274 205 W CB -0.525 28.977 29.460 0.069 0.000 1.148 205 W HN 0.229 nan 8.180 nan 0.000 0.498 206 L N 1.198 122.521 121.223 0.168 0.000 2.013 206 L HA -0.309 4.031 4.340 -0.000 0.000 0.212 206 L C 2.520 179.238 176.870 -0.254 0.000 1.073 206 L CA 2.184 57.010 54.840 -0.022 0.000 0.753 206 L CB -1.437 40.502 42.059 -0.199 0.000 0.890 206 L HN 0.100 nan 8.230 nan 0.000 0.432 207 Q N -0.668 118.988 119.800 -0.240 0.000 2.077 207 Q HA -0.234 4.106 4.340 -0.000 0.000 0.206 207 Q C 2.529 178.383 176.000 -0.244 0.000 0.989 207 Q CA 2.075 57.749 55.803 -0.215 0.000 0.853 207 Q CB -0.612 28.015 28.738 -0.185 0.000 0.907 207 Q HN 0.726 nan 8.270 nan 0.000 0.418 208 S N -0.038 115.472 115.700 -0.317 0.000 2.382 208 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 208 S C 1.976 176.329 174.600 -0.410 0.000 1.027 208 S CA 1.274 59.275 58.200 -0.332 0.000 0.991 208 S CB -0.082 62.908 63.200 -0.350 0.000 0.823 208 S HN 0.384 nan 8.310 nan 0.000 0.469 209 A N 0.946 123.373 122.820 -0.654 0.000 1.968 209 A HA 0.097 4.417 4.320 -0.000 0.000 0.217 209 A C 2.367 179.771 177.584 -0.299 0.000 1.169 209 A CA 1.606 53.279 52.037 -0.607 0.000 0.638 209 A CB -0.792 17.572 19.000 -1.059 0.000 0.812 209 A HN 1.126 nan 8.150 nan 0.000 0.446 210 V N -3.951 115.814 119.914 -0.247 0.000 3.307 210 V HA 0.530 4.650 4.120 -0.000 0.000 0.253 210 V C 1.174 177.272 176.094 0.006 0.000 1.149 210 V CA 0.492 62.706 62.300 -0.143 0.000 1.112 210 V CB -1.230 30.416 31.823 -0.295 0.000 0.777 210 V HN 1.705 nan 8.190 nan 0.000 0.464 211 G N 1.792 110.569 108.800 -0.037 0.000 2.795 211 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.664 211 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.664 211 G C 0.366 175.286 174.900 0.033 0.000 1.381 211 G CA 0.234 45.332 45.100 -0.004 0.000 0.853 211 G HN 0.732 nan 8.290 nan 0.000 0.545 212 D N -0.658 119.736 120.400 -0.010 0.000 2.271 212 D HA -0.177 4.463 4.640 -0.000 0.000 0.207 212 D C 1.938 178.209 176.300 -0.049 0.000 0.983 212 D CA 2.342 56.323 54.000 -0.032 0.000 0.878 212 D CB -0.491 40.284 40.800 -0.041 0.000 0.920 212 D HN 0.512 nan 8.370 nan 0.000 0.479 213 T N -0.350 114.168 114.554 -0.062 0.000 2.684 213 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 213 T C 0.586 175.125 174.700 -0.268 0.000 1.036 213 T CA 1.108 63.082 62.100 -0.211 0.000 1.148 213 T CB -0.460 68.193 68.868 -0.359 0.000 0.863 213 T HN 0.224 nan 8.240 nan 0.000 0.436 214 Y N 1.091 121.354 120.300 -0.062 0.000 2.316 214 Y HA 0.487 5.037 4.550 -0.000 0.000 0.324 214 Y C 0.819 176.650 175.900 -0.114 0.000 1.267 214 Y CA -1.024 57.036 58.100 -0.067 0.000 1.311 214 Y CB 0.805 39.237 38.460 -0.046 0.000 1.267 214 Y HN -0.105 nan 8.280 nan 0.000 0.516 215 T N 0.613 115.175 114.554 0.013 0.000 2.847 215 T HA 0.534 4.884 4.350 -0.000 0.000 0.291 215 T C -1.326 173.174 174.700 -0.333 0.000 0.998 215 T CA -0.707 61.276 62.100 -0.195 0.000 0.967 215 T CB 0.167 68.883 68.868 -0.252 0.000 0.954 215 T HN 0.414 nan 8.240 nan 0.000 0.441 216 V N 6.746 126.478 119.914 -0.303 0.000 2.488 216 V HA 0.325 4.445 4.120 -0.000 0.000 0.277 216 V C 0.224 176.089 176.094 -0.382 0.000 1.046 216 V CA -0.488 61.668 62.300 -0.240 0.000 0.986 216 V CB 0.458 32.161 31.823 -0.200 0.000 0.989 216 V HN 0.845 nan 8.190 nan 0.000 0.475 217 H N 6.322 125.389 119.070 -0.006 0.000 2.690 217 H HA 0.307 4.863 4.556 -0.000 0.000 0.280 217 H C -2.423 172.964 175.328 0.097 0.000 1.138 217 H CA -1.922 54.151 56.048 0.042 0.000 1.241 217 H CB 1.421 31.249 29.762 0.109 0.000 1.394 217 H HN 0.466 nan 8.280 nan 0.000 0.489 218 P HA 0.114 nan 4.420 nan 0.000 0.280 218 P C -0.274 177.107 177.300 0.135 0.000 1.244 218 P CA -0.304 62.876 63.100 0.133 0.000 0.784 218 P CB 1.038 32.733 31.700 -0.009 0.000 0.913 219 C N 4.916 124.302 119.300 0.143 0.000 2.364 219 C HA 0.410 4.870 4.460 -0.000 0.000 0.324 219 C C 1.367 176.369 174.990 0.020 0.000 1.234 219 C CA -0.504 58.552 59.018 0.063 0.000 1.417 219 C CB 0.963 28.730 27.740 0.045 0.000 2.101 219 C HN 0.602 nan 8.230 nan 0.000 0.466 220 R N 1.991 122.478 120.500 -0.021 0.000 2.508 220 R HA 0.201 4.541 4.340 -0.000 0.000 0.300 220 R C 0.580 176.795 176.300 -0.141 0.000 0.970 220 R CA -0.057 56.012 56.100 -0.051 0.000 1.102 220 R CB -0.209 30.081 30.300 -0.017 0.000 1.246 220 R HN 0.505 nan 8.270 nan 0.000 0.539 221 K N 0.523 120.808 120.400 -0.191 0.000 2.354 221 K HA 0.326 4.646 4.320 -0.000 0.000 0.194 221 K C 0.336 176.548 176.600 -0.647 0.000 1.045 221 K CA -0.014 56.066 56.287 -0.346 0.000 1.026 221 K CB 0.309 32.688 32.500 -0.201 0.000 0.866 221 K HN 0.010 nan 8.250 nan 0.000 0.530 222 L N 0.589 121.560 121.223 -0.419 0.000 2.482 222 L HA 0.015 4.355 4.340 -0.000 0.000 0.273 222 L C 0.301 176.825 176.870 -0.577 0.000 1.228 222 L CA 0.156 54.747 54.840 -0.415 0.000 0.827 222 L CB 0.139 42.092 42.059 -0.176 0.000 1.099 222 L HN 0.108 nan 8.230 nan 0.000 0.494 223 Y N 0.186 120.453 120.300 -0.055 0.000 2.571 223 Y HA 0.387 4.937 4.550 -0.000 0.000 0.275 223 Y C 1.030 176.899 175.900 -0.052 0.000 1.179 223 Y CA -0.485 57.586 58.100 -0.050 0.000 1.242 223 Y CB -0.290 38.136 38.460 -0.056 0.000 1.126 223 Y HN 0.582 nan 8.280 nan 0.000 0.524 224 A N 0.059 122.884 122.820 0.009 0.000 2.520 224 A HA 0.185 4.505 4.320 -0.000 0.000 0.245 224 A C 1.157 178.745 177.584 0.005 0.000 1.072 224 A CA 0.393 52.431 52.037 0.001 0.000 0.761 224 A CB 0.273 19.267 19.000 -0.010 0.000 1.004 224 A HN 0.392 nan 8.150 nan 0.000 0.499 225 S N 1.419 117.121 115.700 0.003 0.000 2.501 225 S HA 0.038 4.508 4.470 -0.000 0.000 0.220 225 S C 1.371 175.954 174.600 -0.027 0.000 0.997 225 S CA 1.183 59.379 58.200 -0.006 0.000 0.919 225 S CB 0.230 63.420 63.200 -0.016 0.000 0.778 225 S HN 0.868 nan 8.310 nan 0.000 0.523 226 T N -0.450 114.079 114.554 -0.040 0.000 3.464 226 T HA 0.251 4.601 4.350 -0.000 0.000 0.222 226 T C -0.675 174.046 174.700 0.035 0.000 0.982 226 T CA -0.144 61.907 62.100 -0.082 0.000 1.132 226 T CB 0.131 68.861 68.868 -0.230 0.000 1.226 226 T HN 0.298 nan 8.240 nan 0.000 0.346 227 H N -0.023 119.038 119.070 -0.014 0.000 2.569 227 H HA 0.550 5.106 4.556 -0.000 0.000 0.357 227 H C 0.308 175.632 175.328 -0.007 0.000 1.153 227 H CA -0.700 55.342 56.048 -0.010 0.000 1.193 227 H CB 2.499 32.268 29.762 0.012 0.000 1.602 227 H HN 0.029 nan 8.280 nan 0.000 0.523 228 V N 1.695 121.675 119.914 0.110 0.000 3.129 228 V HA -0.162 3.958 4.120 -0.000 0.000 0.259 228 V C 1.353 177.479 176.094 0.053 0.000 1.116 228 V CA 1.242 63.574 62.300 0.052 0.000 1.127 228 V CB -0.365 31.478 31.823 0.032 0.000 0.742 228 V HN 0.790 nan 8.190 nan 0.000 0.474 229 D N 0.864 121.318 120.400 0.091 0.000 2.242 229 D HA -0.173 4.467 4.640 -0.000 0.000 0.190 229 D C 1.655 177.987 176.300 0.054 0.000 1.012 229 D CA 2.286 56.344 54.000 0.097 0.000 0.875 229 D CB 0.013 40.928 40.800 0.193 0.000 0.922 229 D HN 0.542 nan 8.370 nan 0.000 0.448 230 S N -1.690 114.053 115.700 0.070 0.000 2.651 230 S HA 0.199 4.669 4.470 -0.000 0.000 0.246 230 S C 0.942 175.546 174.600 0.007 0.000 1.039 230 S CA -0.344 57.901 58.200 0.074 0.000 1.013 230 S CB 1.346 64.630 63.200 0.140 0.000 0.861 230 S HN 0.111 nan 8.310 nan 0.000 0.485 231 T N 1.185 115.721 114.554 -0.030 0.000 3.125 231 T HA 0.408 4.758 4.350 -0.000 0.000 0.252 231 T C 0.003 174.656 174.700 -0.077 0.000 0.981 231 T CA 0.350 62.394 62.100 -0.094 0.000 1.069 231 T CB 0.236 69.055 68.868 -0.082 0.000 1.091 231 T HN 0.148 nan 8.240 nan 0.000 0.460 232 I N 2.081 122.627 120.570 -0.039 0.000 2.411 232 I HA 0.399 4.569 4.170 -0.000 0.000 0.284 232 I C -1.119 174.987 176.117 -0.019 0.000 1.012 232 I CA -0.515 60.768 61.300 -0.028 0.000 1.119 232 I CB 2.104 40.104 38.000 -0.000 0.000 1.261 232 I HN -0.108 nan 8.210 nan 0.000 0.448 233 V N 8.968 128.868 119.914 -0.023 0.000 2.266 233 V HA 0.345 4.465 4.120 -0.000 0.000 0.271 233 V C -2.071 174.025 176.094 0.002 0.000 1.032 233 V CA -1.638 60.641 62.300 -0.035 0.000 0.806 233 V CB 0.844 32.647 31.823 -0.034 0.000 1.052 233 V HN 0.527 nan 8.190 nan 0.000 0.449 234 P HA 0.141 nan 4.420 nan 0.000 0.266 234 P C 0.242 177.589 177.300 0.078 0.000 1.195 234 P CA 0.252 63.409 63.100 0.095 0.000 0.768 234 P CB 1.775 33.524 31.700 0.080 0.000 0.838 235 L N 1.709 122.949 121.223 0.028 0.000 2.730 235 L HA 0.274 4.614 4.340 -0.000 0.000 0.236 235 L C 1.079 177.889 176.870 -0.100 0.000 1.061 235 L CA 0.242 55.081 54.840 -0.001 0.000 0.898 235 L CB 0.105 42.153 42.059 -0.017 0.000 1.270 235 L HN 0.523 nan 8.230 nan 0.000 0.500 236 R N -1.285 118.985 120.500 -0.383 0.000 2.753 236 R HA 0.325 4.665 4.340 -0.000 0.000 0.272 236 R C -3.116 172.580 176.300 -1.006 0.000 1.034 236 R CA -1.512 54.143 56.100 -0.742 0.000 0.869 236 R CB 0.102 30.203 30.300 -0.332 0.000 1.264 236 R HN -0.371 nan 8.270 nan 0.000 0.481 237 P HA 0.022 nan 4.420 nan 0.000 0.262 237 P C 0.515 177.150 177.300 -1.109 0.000 1.199 237 P CA 1.653 64.043 63.100 -1.184 0.000 0.763 237 P CB 0.621 32.009 31.700 -0.520 0.000 0.790 238 G N 1.887 109.430 108.800 -2.095 0.000 2.175 238 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.244 238 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.244 238 G C -0.501 174.038 174.900 -0.602 0.000 0.982 238 G CA 0.067 44.237 45.100 -1.550 0.000 0.641 238 G HN 0.645 nan 8.290 nan 0.000 0.527 239 L N 0.584 121.674 121.223 -0.222 0.000 2.482 239 L HA 0.853 5.193 4.340 -0.000 0.000 0.269 239 L C -0.711 176.279 176.870 0.200 0.000 0.967 239 L CA -1.031 53.816 54.840 0.013 0.000 0.851 239 L CB 2.165 44.167 42.059 -0.096 0.000 1.242 239 L HN 0.580 nan 8.230 nan 0.000 0.404 240 V N 5.936 125.957 119.914 0.178 0.000 2.735 240 V HA 0.621 4.741 4.120 -0.000 0.000 0.310 240 V C -1.310 174.782 176.094 -0.002 0.000 1.061 240 V CA -0.746 61.613 62.300 0.099 0.000 0.913 240 V CB 2.171 34.022 31.823 0.047 0.000 1.005 240 V HN 0.804 nan 8.190 nan 0.000 0.428 241 L N 6.753 127.965 121.223 -0.018 0.000 2.265 241 L HA 0.791 5.131 4.340 -0.000 0.000 0.288 241 L C 0.234 177.079 176.870 -0.042 0.000 1.058 241 L CA 0.833 55.650 54.840 -0.039 0.000 0.809 241 L CB 1.291 43.335 42.059 -0.025 0.000 1.179 241 L HN 0.976 nan 8.230 nan 0.000 0.429 242 T N 1.448 115.969 114.554 -0.056 0.000 2.932 242 T HA 0.388 4.738 4.350 -0.000 0.000 0.289 242 T C -0.268 174.365 174.700 -0.112 0.000 1.039 242 T CA -0.835 61.217 62.100 -0.081 0.000 1.024 242 T CB 0.977 69.791 68.868 -0.090 0.000 1.090 242 T HN 0.730 nan 8.240 nan 0.000 0.496 243 N N 2.576 121.158 118.700 -0.196 0.000 2.420 243 N HA 0.248 4.988 4.740 -0.000 0.000 0.249 243 N C -1.429 173.866 175.510 -0.359 0.000 1.033 243 N CA -2.529 50.275 53.050 -0.410 0.000 0.944 243 N CB 1.268 39.385 38.487 -0.617 0.000 1.113 243 N HN 0.440 nan 8.380 nan 0.000 0.502 244 P HA -0.127 nan 4.420 nan 0.000 0.222 244 P C 0.804 178.025 177.300 -0.133 0.000 1.147 244 P CA 1.011 64.032 63.100 -0.132 0.000 0.790 244 P CB 0.215 31.905 31.700 -0.016 0.000 0.780 245 S N -1.405 114.145 115.700 -0.251 0.000 2.470 245 S HA 0.101 4.571 4.470 -0.000 0.000 0.225 245 S C 2.047 176.546 174.600 -0.170 0.000 1.006 245 S CA 0.107 58.212 58.200 -0.159 0.000 0.934 245 S CB -0.318 62.822 63.200 -0.099 0.000 0.778 245 S HN 0.106 nan 8.310 nan 0.000 0.517 246 R N 0.435 120.811 120.500 -0.207 0.000 2.076 246 R HA 0.346 4.686 4.340 -0.000 0.000 0.203 246 R C 0.674 177.013 176.300 0.065 0.000 1.229 246 R CA 0.669 56.747 56.100 -0.037 0.000 1.094 246 R CB -0.005 30.222 30.300 -0.122 0.000 0.991 246 R HN 0.371 nan 8.270 nan 0.000 0.471 247 V N 1.929 121.817 119.914 -0.043 0.000 2.644 247 V HA 0.412 4.532 4.120 -0.000 0.000 0.295 247 V C -0.916 175.163 176.094 -0.026 0.000 1.053 247 V CA -0.497 61.787 62.300 -0.027 0.000 0.987 247 V CB 1.475 33.252 31.823 -0.077 0.000 1.006 247 V HN 0.613 nan 8.190 nan 0.000 0.472 248 N N 1.961 120.656 118.700 -0.009 0.000 3.600 248 N HA 0.455 5.195 4.740 -0.000 0.000 0.348 248 N C -0.069 175.427 175.510 -0.023 0.000 1.649 248 N CA -0.087 52.955 53.050 -0.013 0.000 0.710 248 N CB 0.454 38.947 38.487 0.009 0.000 2.380 248 N HN 0.419 nan 8.380 nan 0.000 0.631 249 D N -1.055 119.336 120.400 -0.015 0.000 2.249 249 D HA 0.032 4.672 4.640 -0.000 0.000 0.205 249 D C 0.599 176.888 176.300 -0.019 0.000 0.962 249 D CA 0.671 54.658 54.000 -0.022 0.000 0.860 249 D CB 0.204 40.995 40.800 -0.015 0.000 0.955 249 D HN 0.506 nan 8.370 nan 0.000 0.505 250 E N -0.167 120.030 120.200 -0.005 0.000 2.479 250 E HA 0.085 4.435 4.350 -0.000 0.000 0.193 250 E C 0.826 177.422 176.600 -0.008 0.000 1.049 250 E CA -0.024 56.376 56.400 -0.001 0.000 0.870 250 E CB 0.217 29.926 29.700 0.016 0.000 0.944 250 E HN 0.333 nan 8.360 nan 0.000 0.492 251 N N -0.247 118.442 118.700 -0.018 0.000 2.413 251 N HA 0.037 4.777 4.740 -0.000 0.000 0.193 251 N C 0.452 175.914 175.510 -0.080 0.000 1.043 251 N CA -0.259 52.766 53.050 -0.043 0.000 0.910 251 N CB 0.291 38.765 38.487 -0.021 0.000 1.111 251 N HN -0.025 nan 8.380 nan 0.000 0.452 252 M N 2.656 122.201 119.600 -0.093 0.000 2.210 252 M HA -0.059 4.421 4.480 -0.000 0.000 0.428 252 M C -2.340 173.857 176.300 -0.173 0.000 1.344 252 M CA -0.411 54.801 55.300 -0.146 0.000 0.770 252 M CB 0.379 32.895 32.600 -0.139 0.000 1.960 252 M HN 0.055 nan 8.290 nan 0.000 0.521 253 P HA -0.000 nan 4.420 nan 0.000 0.267 253 P C -0.497 176.627 177.300 -0.293 0.000 1.201 253 P CA 0.121 63.060 63.100 -0.267 0.000 0.775 253 P CB 0.450 31.889 31.700 -0.436 0.000 0.854 254 D N 0.827 121.132 120.400 -0.160 0.000 2.117 254 D HA -0.128 4.512 4.640 -0.000 0.000 0.198 254 D C 1.348 177.572 176.300 -0.126 0.000 0.982 254 D CA 1.268 55.209 54.000 -0.097 0.000 0.828 254 D CB -0.744 40.055 40.800 -0.000 0.000 0.967 254 D HN 0.536 nan 8.370 nan 0.000 0.464 255 F N -0.355 119.436 119.950 -0.265 0.000 2.771 255 F HA 0.158 4.685 4.527 -0.000 0.000 0.299 255 F C 1.269 176.931 175.800 -0.230 0.000 1.177 255 F CA 0.326 58.187 58.000 -0.233 0.000 1.450 255 F CB -0.128 38.657 39.000 -0.358 0.000 1.114 255 F HN -0.115 nan 8.300 nan 0.000 0.587 256 L N 0.347 121.018 121.223 -0.920 0.000 2.556 256 L HA 0.281 4.621 4.340 -0.000 0.000 0.226 256 L C 2.160 178.841 176.870 -0.315 0.000 1.089 256 L CA 0.481 54.783 54.840 -0.897 0.000 0.864 256 L CB -0.902 40.460 42.059 -1.161 0.000 1.067 256 L HN 0.059 nan 8.230 nan 0.000 0.477 257 R N -1.034 119.350 120.500 -0.193 0.000 2.249 257 R HA -0.146 4.194 4.340 -0.000 0.000 0.230 257 R C 2.383 178.701 176.300 0.030 0.000 1.121 257 R CA 1.340 57.399 56.100 -0.068 0.000 0.997 257 R CB -0.134 30.135 30.300 -0.052 0.000 0.867 257 R HN 0.378 nan 8.270 nan 0.000 0.465 258 S N -0.821 114.962 115.700 0.139 0.000 2.456 258 S HA -0.020 4.449 4.470 -0.000 0.000 0.224 258 S C 0.125 174.808 174.600 0.139 0.000 1.035 258 S CA -0.455 57.847 58.200 0.171 0.000 0.940 258 S CB 0.085 63.459 63.200 0.291 0.000 0.799 258 S HN 0.223 nan 8.310 nan 0.000 0.508 259 W N 3.519 124.750 121.300 -0.115 0.000 2.231 259 W HA 0.321 4.981 4.660 -0.000 0.000 0.341 259 W C 0.716 177.120 176.519 -0.192 0.000 1.298 259 W CA -0.914 56.301 57.345 -0.217 0.000 1.266 259 W CB 0.038 29.411 29.460 -0.145 0.000 1.172 259 W HN 0.307 nan 8.180 nan 0.000 0.568 260 E N 2.869 123.050 120.200 -0.031 0.000 2.344 260 E HA -0.040 4.310 4.350 -0.000 0.000 0.270 260 E C -0.396 176.211 176.600 0.012 0.000 1.021 260 E CA -0.328 56.054 56.400 -0.030 0.000 0.887 260 E CB 0.466 30.126 29.700 -0.067 0.000 0.997 260 E HN 0.339 nan 8.360 nan 0.000 0.429 261 N N 5.036 123.732 118.700 -0.006 0.000 2.392 261 N HA 0.229 4.969 4.740 -0.000 0.000 0.283 261 N C -0.820 174.658 175.510 -0.053 0.000 1.003 261 N CA -0.714 52.321 53.050 -0.025 0.000 0.892 261 N CB 0.842 39.309 38.487 -0.034 0.000 1.193 261 N HN 0.562 nan 8.380 nan 0.000 0.487 262 I N 0.310 120.822 120.570 -0.096 0.000 2.354 262 I HA 0.477 4.647 4.170 -0.000 0.000 0.292 262 I C -0.333 175.733 176.117 -0.086 0.000 0.989 262 I CA -0.590 60.626 61.300 -0.140 0.000 1.188 262 I CB 1.507 39.296 38.000 -0.352 0.000 1.342 262 I HN 0.174 nan 8.210 nan 0.000 0.457 263 T N 6.071 120.596 114.554 -0.048 0.000 2.851 263 T HA 0.077 4.426 4.350 -0.000 0.000 0.298 263 T C 0.076 174.783 174.700 0.012 0.000 0.977 263 T CA -0.119 61.971 62.100 -0.017 0.000 1.126 263 T CB 0.521 69.390 68.868 0.002 0.000 0.916 263 T HN 0.778 nan 8.240 nan 0.000 0.529 264 C N 7.376 126.705 119.300 0.048 0.000 2.653 264 C HA 0.361 4.821 4.460 -0.000 0.000 0.421 264 C C -1.686 173.398 174.990 0.156 0.000 1.334 264 C CA -1.635 57.454 59.018 0.119 0.000 1.885 264 C CB -0.439 27.435 27.740 0.222 0.000 2.645 264 C HN 0.647 nan 8.230 nan 0.000 0.601 265 P HA 0.222 nan 4.420 nan 0.000 0.273 265 P C -0.991 176.374 177.300 0.108 0.000 1.250 265 P CA 0.015 63.171 63.100 0.093 0.000 0.793 265 P CB 0.316 32.048 31.700 0.054 0.000 1.011 266 E N 0.636 120.867 120.200 0.053 0.000 2.316 266 E HA 0.325 4.675 4.350 -0.000 0.000 0.275 266 E C -0.374 176.154 176.600 -0.122 0.000 1.029 266 E CA -0.784 55.590 56.400 -0.043 0.000 0.871 266 E CB 0.004 29.685 29.700 -0.031 0.000 1.022 266 E HN 0.057 nan 8.360 nan 0.000 0.418 267 L N 2.734 123.789 121.223 -0.279 0.000 2.479 267 L HA 0.193 4.533 4.340 -0.000 0.000 0.248 267 L C 0.125 176.898 176.870 -0.161 0.000 1.205 267 L CA -0.824 53.893 54.840 -0.205 0.000 0.817 267 L CB 0.707 42.598 42.059 -0.279 0.000 1.162 267 L HN 0.535 nan 8.230 nan 0.000 0.486 268 V N 0.625 120.478 119.914 -0.101 0.000 2.649 268 V HA 0.096 4.216 4.120 -0.000 0.000 0.292 268 V C -0.112 175.932 176.094 -0.084 0.000 1.055 268 V CA -0.568 61.688 62.300 -0.074 0.000 1.023 268 V CB 1.286 33.085 31.823 -0.040 0.000 0.992 268 V HN 0.655 nan 8.190 nan 0.000 0.480 269 D N 4.953 125.311 120.400 -0.070 0.000 2.435 269 D HA 0.184 4.823 4.640 -0.000 0.000 0.230 269 D C 0.387 176.674 176.300 -0.021 0.000 1.215 269 D CA -0.362 53.607 54.000 -0.050 0.000 0.947 269 D CB 0.066 40.847 40.800 -0.031 0.000 1.048 269 D HN 0.492 nan 8.370 nan 0.000 0.512 270 I N 0.052 120.613 120.570 -0.015 0.000 2.993 270 I HA 0.366 4.536 4.170 -0.000 0.000 0.286 270 I C 1.135 177.261 176.117 0.015 0.000 1.215 270 I CA -0.659 60.636 61.300 -0.009 0.000 1.393 270 I CB 0.498 38.492 38.000 -0.010 0.000 1.371 270 I HN 0.193 nan 8.210 nan 0.000 0.602 271 G N 3.476 112.272 108.800 -0.006 0.000 2.570 271 G HA2 0.482 4.442 3.960 -0.000 0.000 0.276 271 G HA3 0.482 4.442 3.960 -0.000 0.000 0.276 271 G C -0.821 174.145 174.900 0.110 0.000 1.346 271 G CA -0.601 44.493 45.100 -0.009 0.000 1.034 271 G HN 0.878 nan 8.290 nan 0.000 0.512 272 F N -3.077 116.895 119.950 0.037 0.000 2.591 272 F HA 0.677 5.204 4.527 -0.000 0.000 0.309 272 F C -0.633 175.212 175.800 0.075 0.000 1.098 272 F CA -1.231 56.809 58.000 0.066 0.000 0.937 272 F CB 1.670 40.714 39.000 0.073 0.000 1.250 272 F HN 0.365 nan 8.300 nan 0.000 0.447 273 T N 2.829 117.527 114.554 0.239 0.000 2.770 273 T HA 0.711 5.061 4.350 -0.000 0.000 0.297 273 T C 0.174 175.030 174.700 0.260 0.000 0.997 273 T CA 0.389 62.575 62.100 0.142 0.000 0.949 273 T CB 0.616 69.553 68.868 0.116 0.000 0.941 273 T HN 1.282 nan 8.240 nan 0.000 0.457 274 G N 2.962 111.915 108.800 0.255 0.000 2.520 274 G HA2 0.109 4.069 3.960 -0.000 0.000 0.067 274 G HA3 0.109 4.069 3.960 -0.000 0.000 0.067 274 G C -0.227 174.837 174.900 0.272 0.000 0.977 274 G CA 0.069 45.336 45.100 0.279 0.000 1.152 274 G HN 0.479 nan 8.290 nan 0.000 0.479 275 D N -0.945 119.650 120.400 0.324 0.000 2.272 275 D HA 0.279 4.918 4.640 -0.000 0.000 0.308 275 D C -0.253 176.207 176.300 0.267 0.000 1.104 275 D CA 0.765 54.915 54.000 0.250 0.000 0.939 275 D CB 1.008 41.921 40.800 0.189 0.000 1.733 275 D HN 0.073 nan 8.370 nan 0.000 0.517 276 K N 1.273 121.758 120.400 0.143 0.000 2.513 276 K HA 0.443 4.763 4.320 -0.000 0.000 0.251 276 K C -2.629 173.713 176.600 -0.430 0.000 0.939 276 K CA -1.780 54.403 56.287 -0.173 0.000 0.793 276 K CB 2.540 34.940 32.500 -0.166 0.000 1.241 276 K HN -0.088 nan 8.250 nan 0.000 0.431 277 P HA 0.059 nan 4.420 nan 0.000 0.272 277 P C 0.039 177.237 177.300 -0.170 0.000 1.223 277 P CA 0.075 62.621 63.100 -0.923 0.000 0.784 277 P CB 0.720 31.799 31.700 -1.034 0.000 0.923 278 H N -0.162 118.860 119.070 -0.080 0.000 2.547 278 H HA 0.153 4.708 4.556 -0.000 0.000 0.272 278 H C -0.301 175.014 175.328 -0.020 0.000 0.971 278 H CA 0.013 56.076 56.048 0.025 0.000 1.245 278 H CB 0.569 30.410 29.762 0.131 0.000 1.440 278 H HN 0.288 nan 8.280 nan 0.000 0.540 279 C N 1.204 120.496 119.300 -0.013 0.000 2.712 279 C HA 0.319 4.779 4.460 -0.000 0.000 0.308 279 C C 0.226 175.211 174.990 -0.009 0.000 1.201 279 C CA -0.681 58.307 59.018 -0.050 0.000 1.554 279 C CB 1.448 29.150 27.740 -0.063 0.000 2.117 279 C HN 0.640 nan 8.230 nan 0.000 0.480 280 S N 1.504 117.223 115.700 0.031 0.000 2.576 280 S HA 0.123 4.593 4.470 -0.000 0.000 0.272 280 S C 1.221 175.849 174.600 0.046 0.000 1.352 280 S CA 0.218 58.464 58.200 0.076 0.000 1.021 280 S CB 0.633 63.961 63.200 0.213 0.000 0.887 280 S HN 1.295 nan 8.310 nan 0.000 0.542 281 V N -1.218 118.657 119.914 -0.065 0.000 2.688 281 V HA -0.105 4.015 4.120 -0.000 0.000 0.256 281 V C 1.703 177.677 176.094 -0.200 0.000 1.084 281 V CA 1.201 63.393 62.300 -0.180 0.000 1.103 281 V CB -1.710 29.901 31.823 -0.353 0.000 0.688 281 V HN 0.910 nan 8.190 nan 0.000 0.480 282 W N 1.281 122.595 121.300 0.022 0.000 2.747 282 W HA 0.124 4.784 4.660 -0.000 0.000 0.244 282 W C 2.118 178.655 176.519 0.030 0.000 1.270 282 W CA 0.337 57.696 57.345 0.024 0.000 1.333 282 W CB -0.358 29.113 29.460 0.019 0.000 1.139 282 W HN 0.377 nan 8.180 nan 0.000 0.662 283 I N -2.129 118.545 120.570 0.173 0.000 2.928 283 I HA 0.116 4.286 4.170 -0.000 0.000 0.266 283 I C 2.020 178.213 176.117 0.126 0.000 1.234 283 I CA 1.375 62.756 61.300 0.134 0.000 1.483 283 I CB -1.877 36.173 38.000 0.083 0.000 1.097 283 I HN 0.077 nan 8.210 nan 0.000 0.455 284 G N 1.562 110.422 108.800 0.099 0.000 2.507 284 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.221 284 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.221 284 G C 1.616 176.602 174.900 0.144 0.000 1.119 284 G CA 0.782 45.937 45.100 0.091 0.000 0.751 284 G HN 0.404 nan 8.290 nan 0.000 0.574 285 M N 0.310 120.026 119.600 0.193 0.000 2.595 285 M HA 0.061 4.541 4.480 -0.000 0.000 0.248 285 M C 1.186 177.578 176.300 0.154 0.000 1.119 285 M CA 0.056 55.469 55.300 0.189 0.000 1.079 285 M CB -0.008 32.743 32.600 0.253 0.000 1.472 285 M HN 0.147 nan 8.290 nan 0.000 0.501 286 N N 2.658 121.458 118.700 0.168 0.000 3.117 286 N HA 0.044 4.784 4.740 -0.000 0.000 0.323 286 N C -0.692 174.958 175.510 0.234 0.000 1.245 286 N CA -0.187 52.966 53.050 0.172 0.000 1.191 286 N CB -0.119 38.465 38.487 0.162 0.000 1.451 286 N HN 0.187 nan 8.380 nan 0.000 0.555 287 L N -0.595 120.735 121.223 0.178 0.000 2.456 287 L HA 0.531 4.871 4.340 -0.000 0.000 0.257 287 L C -0.415 176.556 176.870 0.168 0.000 1.162 287 L CA -0.593 54.357 54.840 0.184 0.000 0.808 287 L CB 0.502 42.621 42.059 0.101 0.000 1.136 287 L HN -0.016 nan 8.230 nan 0.000 0.466 288 L N 2.051 123.372 121.223 0.163 0.000 2.342 288 L HA 0.591 4.931 4.340 -0.000 0.000 0.276 288 L C -0.915 176.015 176.870 0.100 0.000 0.997 288 L CA -0.383 54.568 54.840 0.184 0.000 0.838 288 L CB 1.627 43.821 42.059 0.225 0.000 1.224 288 L HN 0.510 nan 8.230 nan 0.000 0.416 289 V N 6.589 126.568 119.914 0.109 0.000 2.455 289 V HA 0.098 4.218 4.120 -0.000 0.000 0.273 289 V C 1.074 177.226 176.094 0.096 0.000 1.045 289 V CA -0.031 62.329 62.300 0.099 0.000 0.976 289 V CB 1.209 33.117 31.823 0.143 0.000 0.993 289 V HN 0.783 nan 8.190 nan 0.000 0.475 290 V N 5.544 125.498 119.914 0.066 0.000 2.599 290 V HA 0.121 4.241 4.120 -0.000 0.000 0.245 290 V C 0.868 177.000 176.094 0.063 0.000 1.046 290 V CA 1.208 63.539 62.300 0.052 0.000 1.065 290 V CB -0.456 31.383 31.823 0.027 0.000 0.703 290 V HN 0.990 nan 8.190 nan 0.000 0.464 291 R N -1.469 119.080 120.500 0.080 0.000 2.716 291 R HA 0.358 4.697 4.340 -0.000 0.000 0.271 291 R C -2.840 173.537 176.300 0.128 0.000 1.028 291 R CA -1.665 54.496 56.100 0.102 0.000 0.883 291 R CB 0.395 30.739 30.300 0.073 0.000 1.250 291 R HN -0.191 nan 8.270 nan 0.000 0.465 292 P HA -0.198 nan 4.420 nan 0.000 0.219 292 P C 0.142 177.477 177.300 0.058 0.000 1.144 292 P CA 1.692 64.867 63.100 0.126 0.000 0.806 292 P CB 0.031 31.807 31.700 0.126 0.000 0.771 293 D N -3.050 117.381 120.400 0.051 0.000 2.500 293 D HA 0.120 4.760 4.640 -0.000 0.000 0.217 293 D C -0.029 176.286 176.300 0.026 0.000 1.159 293 D CA -0.086 53.932 54.000 0.030 0.000 0.828 293 D CB -0.081 40.734 40.800 0.024 0.000 1.039 293 D HN 0.090 nan 8.370 nan 0.000 0.512 294 L N 1.185 122.428 121.223 0.033 0.000 2.409 294 L HA 0.749 5.089 4.340 -0.000 0.000 0.272 294 L C -1.651 175.231 176.870 0.019 0.000 0.980 294 L CA -0.612 54.239 54.840 0.019 0.000 0.826 294 L CB 1.899 43.968 42.059 0.016 0.000 1.268 294 L HN 0.117 nan 8.230 nan 0.000 0.407 295 A N 3.901 126.720 122.820 -0.001 0.000 2.475 295 A HA 0.754 5.074 4.320 -0.000 0.000 0.301 295 A C -1.486 176.057 177.584 -0.068 0.000 1.059 295 A CA -0.391 51.640 52.037 -0.010 0.000 0.710 295 A CB 1.984 20.987 19.000 0.006 0.000 1.288 295 A HN 1.082 nan 8.150 nan 0.000 0.408 296 V N 2.371 122.213 119.914 -0.120 0.000 2.394 296 V HA 0.753 4.873 4.120 -0.000 0.000 0.282 296 V C -0.967 174.918 176.094 -0.349 0.000 1.031 296 V CA -0.202 61.914 62.300 -0.307 0.000 0.881 296 V CB 0.912 32.458 31.823 -0.462 0.000 0.982 296 V HN 0.785 nan 8.190 nan 0.000 0.451 297 V N 5.726 125.463 119.914 -0.295 0.000 2.680 297 V HA 0.414 4.534 4.120 -0.000 0.000 0.309 297 V C -0.096 175.955 176.094 -0.072 0.000 1.052 297 V CA -0.714 61.519 62.300 -0.113 0.000 0.908 297 V CB 1.894 33.702 31.823 -0.024 0.000 1.001 297 V HN 1.029 nan 8.190 nan 0.000 0.431 298 D N 3.099 123.608 120.400 0.180 0.000 2.458 298 D HA 0.001 4.641 4.640 -0.000 0.000 0.243 298 D C 1.228 177.583 176.300 0.091 0.000 1.146 298 D CA -0.252 53.891 54.000 0.239 0.000 0.877 298 D CB 0.964 41.925 40.800 0.268 0.000 1.176 298 D HN 0.674 nan 8.370 nan 0.000 0.461 299 R N 2.889 123.427 120.500 0.064 0.000 2.357 299 R HA -0.032 4.308 4.340 -0.000 0.000 0.202 299 R C 1.206 177.521 176.300 0.025 0.000 1.047 299 R CA 0.841 56.958 56.100 0.028 0.000 1.034 299 R CB -0.034 30.277 30.300 0.020 0.000 0.875 299 R HN 0.292 nan 8.270 nan 0.000 0.473 300 R N -0.034 120.486 120.500 0.033 0.000 2.308 300 R HA 0.126 4.466 4.340 -0.000 0.000 0.202 300 R C 0.258 176.565 176.300 0.012 0.000 0.898 300 R CA 0.027 56.137 56.100 0.016 0.000 1.046 300 R CB 0.509 30.815 30.300 0.010 0.000 1.026 300 R HN 0.186 nan 8.270 nan 0.000 0.512 301 Q N 0.889 120.703 119.800 0.023 0.000 3.247 301 Q HA 0.010 4.350 4.340 -0.000 0.000 0.326 301 Q C 0.932 176.941 176.000 0.016 0.000 1.402 301 Q CA 0.336 56.150 55.803 0.019 0.000 0.994 301 Q CB 0.790 29.550 28.738 0.036 0.000 1.647 301 Q HN 0.157 nan 8.270 nan 0.000 0.523 302 T N -1.451 113.108 114.554 0.009 0.000 2.788 302 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 302 T C 1.737 176.443 174.700 0.011 0.000 1.044 302 T CA 1.432 63.537 62.100 0.008 0.000 1.139 302 T CB 0.252 69.122 68.868 0.004 0.000 0.867 302 T HN 0.406 nan 8.240 nan 0.000 0.454 303 A N 1.707 124.533 122.820 0.010 0.000 1.865 303 A HA 0.045 4.365 4.320 -0.000 0.000 0.217 303 A C 2.357 179.956 177.584 0.025 0.000 1.191 303 A CA 1.898 53.944 52.037 0.016 0.000 0.623 303 A CB -1.213 17.795 19.000 0.014 0.000 0.826 303 A HN 0.552 nan 8.150 nan 0.000 0.444 304 L N -0.054 121.185 121.223 0.027 0.000 2.042 304 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 304 L C 2.239 179.126 176.870 0.029 0.000 1.076 304 L CA 1.834 56.695 54.840 0.034 0.000 0.749 304 L CB -0.601 41.484 42.059 0.044 0.000 0.893 304 L HN 0.449 nan 8.230 nan 0.000 0.432 305 I N -1.036 119.548 120.570 0.022 0.000 2.179 305 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 305 I C 2.706 178.837 176.117 0.023 0.000 1.088 305 I CA 1.103 62.413 61.300 0.017 0.000 1.357 305 I CB -0.430 37.575 38.000 0.008 0.000 1.051 305 I HN 0.234 nan 8.210 nan 0.000 0.409 306 R N 0.399 120.913 120.500 0.024 0.000 2.132 306 R HA -0.261 4.079 4.340 -0.000 0.000 0.233 306 R C 2.375 178.704 176.300 0.048 0.000 1.125 306 R CA 2.257 58.374 56.100 0.029 0.000 0.914 306 R CB -0.955 29.360 30.300 0.026 0.000 0.845 306 R HN 0.221 nan 8.270 nan 0.000 0.431 307 L N 1.560 122.816 121.223 0.056 0.000 2.010 307 L HA -0.244 4.096 4.340 -0.000 0.000 0.219 307 L C 2.204 179.143 176.870 0.115 0.000 1.077 307 L CA 1.814 56.707 54.840 0.088 0.000 0.773 307 L CB -0.761 41.328 42.059 0.049 0.000 0.892 307 L HN 0.251 nan 8.230 nan 0.000 0.436 308 L N -0.593 120.664 121.223 0.057 0.000 2.013 308 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 308 L C 2.623 179.541 176.870 0.080 0.000 1.073 308 L CA 1.924 56.794 54.840 0.050 0.000 0.753 308 L CB -0.713 41.359 42.059 0.023 0.000 0.890 308 L HN 0.422 nan 8.230 nan 0.000 0.432 309 E N -0.185 120.050 120.200 0.059 0.000 2.110 309 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 309 E C 2.151 178.782 176.600 0.051 0.000 0.988 309 E CA 0.911 57.337 56.400 0.043 0.000 0.804 309 E CB -0.109 29.605 29.700 0.024 0.000 0.745 309 E HN 0.366 nan 8.360 nan 0.000 0.458 310 K N 0.456 120.903 120.400 0.079 0.000 2.113 310 K HA -0.177 4.142 4.320 -0.000 0.000 0.208 310 K C 0.900 177.463 176.600 -0.061 0.000 1.047 310 K CA 1.253 57.560 56.287 0.033 0.000 0.928 310 K CB -0.075 32.472 32.500 0.078 0.000 0.716 310 K HN 0.187 nan 8.250 nan 0.000 0.446 311 H N -1.112 117.947 119.070 -0.018 0.000 2.568 311 H HA 0.207 4.763 4.556 -0.000 0.000 0.302 311 H C 0.255 175.565 175.328 -0.030 0.000 1.065 311 H CA 0.421 56.453 56.048 -0.027 0.000 1.140 311 H CB 0.415 30.160 29.762 -0.029 0.000 1.474 311 H HN 0.382 nan 8.280 nan 0.000 0.545 312 G N 1.282 110.105 108.800 0.039 0.000 2.371 312 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.299 312 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.299 312 G C -0.057 174.857 174.900 0.024 0.000 1.014 312 G CA 0.395 45.504 45.100 0.015 0.000 1.097 312 G HN 0.391 nan 8.290 nan 0.000 0.512 313 M N 0.562 120.183 119.600 0.034 0.000 2.053 313 M HA 0.453 4.933 4.480 -0.000 0.000 0.297 313 M C -0.137 176.173 176.300 0.018 0.000 0.921 313 M CA -0.516 54.799 55.300 0.026 0.000 0.918 313 M CB 0.708 33.327 32.600 0.031 0.000 1.499 313 M HN 0.239 nan 8.290 nan 0.000 0.422 314 N N 2.489 121.196 118.700 0.011 0.000 2.488 314 N HA 0.470 5.210 4.740 -0.000 0.000 0.274 314 N C -0.849 174.658 175.510 -0.005 0.000 1.111 314 N CA -0.506 52.546 53.050 0.003 0.000 0.974 314 N CB 1.517 40.005 38.487 0.002 0.000 1.089 314 N HN 0.508 nan 8.380 nan 0.000 0.465 315 V N 2.153 122.059 119.914 -0.013 0.000 2.732 315 V HA 0.680 4.800 4.120 -0.000 0.000 0.310 315 V C -0.896 175.171 176.094 -0.044 0.000 1.053 315 V CA -0.885 61.396 62.300 -0.030 0.000 0.957 315 V CB 1.512 33.318 31.823 -0.029 0.000 1.018 315 V HN 0.545 nan 8.190 nan 0.000 0.452 316 L N 6.377 127.555 121.223 -0.075 0.000 2.401 316 L HA 0.729 5.069 4.340 -0.000 0.000 0.263 316 L C -2.764 174.028 176.870 -0.131 0.000 1.004 316 L CA -1.612 53.178 54.840 -0.084 0.000 0.881 316 L CB 1.904 43.914 42.059 -0.081 0.000 1.219 316 L HN 0.615 nan 8.230 nan 0.000 0.441 317 P HA 0.311 nan 4.420 nan 0.000 0.283 317 P C -0.826 176.431 177.300 -0.071 0.000 1.412 317 P CA -0.085 62.960 63.100 -0.092 0.000 0.912 317 P CB 1.073 32.748 31.700 -0.042 0.000 1.132 318 L N 2.528 123.678 121.223 -0.122 0.000 2.578 318 L HA 0.635 4.975 4.340 -0.000 0.000 0.259 318 L C 0.756 177.738 176.870 0.187 0.000 1.082 318 L CA -0.793 54.055 54.840 0.014 0.000 0.843 318 L CB 0.655 42.709 42.059 -0.008 0.000 1.535 318 L HN 0.302 nan 8.230 nan 0.000 0.510 319 Q N 0.280 120.251 119.800 0.285 0.000 2.289 319 Q HA 0.598 4.938 4.340 -0.000 0.000 0.270 319 Q C -2.003 174.110 176.000 0.188 0.000 1.038 319 Q CA -0.478 55.476 55.803 0.252 0.000 0.812 319 Q CB 1.789 30.590 28.738 0.105 0.000 1.300 319 Q HN 0.534 nan 8.270 nan 0.000 0.427 320 L N 4.305 125.571 121.223 0.073 0.000 2.337 320 L HA 0.339 4.679 4.340 -0.000 0.000 0.269 320 L C 0.633 177.442 176.870 -0.102 0.000 1.018 320 L CA -0.366 54.415 54.840 -0.098 0.000 0.876 320 L CB 1.522 43.378 42.059 -0.337 0.000 1.236 320 L HN 0.937 nan 8.230 nan 0.000 0.436 321 T N -0.128 114.330 114.554 -0.161 0.000 2.622 321 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 321 T C 1.203 175.693 174.700 -0.350 0.000 1.047 321 T CA 1.352 63.264 62.100 -0.313 0.000 1.159 321 T CB -0.171 68.366 68.868 -0.551 0.000 0.863 321 T HN 0.477 nan 8.240 nan 0.000 0.422 322 H N 1.282 120.300 119.070 -0.087 0.000 2.770 322 H HA 0.376 4.932 4.556 -0.000 0.000 0.315 322 H C 1.692 176.950 175.328 -0.117 0.000 1.127 322 H CA -0.185 55.798 56.048 -0.108 0.000 1.155 322 H CB -0.244 29.413 29.762 -0.176 0.000 1.397 322 H HN 0.249 nan 8.280 nan 0.000 0.538 323 S N 0.447 116.141 115.700 -0.010 0.000 2.368 323 S HA -0.105 4.364 4.470 -0.000 0.000 0.225 323 S C 2.101 176.721 174.600 0.033 0.000 1.030 323 S CA 0.786 58.989 58.200 0.006 0.000 0.999 323 S CB 0.125 63.320 63.200 -0.007 0.000 0.844 323 S HN 0.568 nan 8.310 nan 0.000 0.459 324 R N 0.645 121.183 120.500 0.064 0.000 2.276 324 R HA 0.082 4.422 4.340 -0.000 0.000 0.203 324 R C 1.792 178.175 176.300 0.137 0.000 1.017 324 R CA 1.044 57.198 56.100 0.091 0.000 1.010 324 R CB -0.522 29.859 30.300 0.134 0.000 0.900 324 R HN 0.317 nan 8.270 nan 0.000 0.469 325 T N 1.339 115.973 114.554 0.132 0.000 2.866 325 T HA 0.097 4.447 4.350 -0.000 0.000 0.250 325 T C 1.828 176.596 174.700 0.114 0.000 1.033 325 T CA 0.664 62.856 62.100 0.153 0.000 1.145 325 T CB 0.087 69.010 68.868 0.092 0.000 0.866 325 T HN 0.088 nan 8.240 nan 0.000 0.434 326 L N 0.473 121.613 121.223 -0.138 0.000 2.446 326 L HA 0.305 4.645 4.340 -0.000 0.000 0.219 326 L C 1.342 178.220 176.870 0.012 0.000 1.116 326 L CA 0.142 54.826 54.840 -0.259 0.000 0.844 326 L CB -0.395 41.204 42.059 -0.766 0.000 0.970 326 L HN 0.464 nan 8.230 nan 0.000 0.457 327 G N 0.690 109.475 108.800 -0.025 0.000 2.473 327 G HA2 0.012 3.972 3.960 -0.000 0.000 0.289 327 G HA3 0.012 3.972 3.960 -0.000 0.000 0.289 327 G C 0.081 175.038 174.900 0.094 0.000 1.084 327 G CA -0.067 44.973 45.100 -0.100 0.000 1.215 327 G HN 0.594 nan 8.290 nan 0.000 0.527 328 G N -0.755 108.140 108.800 0.159 0.000 2.750 328 G HA2 0.860 4.820 3.960 -0.000 0.000 0.298 328 G HA3 0.860 4.820 3.960 -0.000 0.000 0.298 328 G C 0.205 175.127 174.900 0.037 0.000 1.412 328 G CA 0.508 45.677 45.100 0.115 0.000 1.078 328 G HN 1.372 nan 8.290 nan 0.000 0.573 329 G N -0.171 108.614 108.800 -0.025 0.000 2.795 329 G HA2 0.557 4.517 3.960 -0.000 0.000 0.267 329 G HA3 0.557 4.517 3.960 -0.000 0.000 0.267 329 G C 0.601 175.396 174.900 -0.175 0.000 1.362 329 G CA -0.758 44.290 45.100 -0.087 0.000 1.048 329 G HN 0.368 nan 8.290 nan 0.000 0.547 330 F N -0.981 119.016 119.950 0.078 0.000 2.134 330 F HA -0.047 4.480 4.527 -0.000 0.000 0.299 330 F C 2.460 178.298 175.800 0.065 0.000 1.097 330 F CA 1.839 59.877 58.000 0.062 0.000 1.264 330 F CB -0.314 38.728 39.000 0.070 0.000 1.001 330 F HN 0.501 nan 8.300 nan 0.000 0.479 331 H N -1.109 118.052 119.070 0.151 0.000 2.299 331 H HA -0.191 4.365 4.556 -0.000 0.000 0.302 331 H C 2.370 177.698 175.328 0.001 0.000 1.078 331 H CA 1.915 58.005 56.048 0.070 0.000 1.323 331 H CB -0.404 29.398 29.762 0.067 0.000 1.381 331 H HN 0.306 nan 8.280 nan 0.000 0.498 332 C N 0.993 120.310 119.300 0.029 0.000 2.398 332 C HA -0.114 4.346 4.460 -0.000 0.000 0.276 332 C C 2.806 177.665 174.990 -0.220 0.000 1.222 332 C CA 1.173 60.144 59.018 -0.079 0.000 1.746 332 C CB -1.182 26.560 27.740 0.003 0.000 2.039 332 C HN 0.660 nan 8.230 nan 0.000 0.470 333 A N -0.327 122.307 122.820 -0.310 0.000 2.265 333 A HA 0.295 4.615 4.320 -0.000 0.000 0.213 333 A C 0.743 178.215 177.584 -0.187 0.000 1.255 333 A CA 1.085 52.862 52.037 -0.433 0.000 0.862 333 A CB -0.589 18.080 19.000 -0.552 0.000 0.852 333 A HN 0.743 nan 8.150 nan 0.000 0.484 334 T N -3.349 111.126 114.554 -0.131 0.000 2.864 334 T HA 0.607 4.957 4.350 -0.000 0.000 0.299 334 T C -1.124 173.503 174.700 -0.122 0.000 1.166 334 T CA -0.747 61.312 62.100 -0.069 0.000 1.007 334 T CB 1.687 70.551 68.868 -0.008 0.000 1.219 334 T HN 0.247 nan 8.240 nan 0.000 0.506 335 L N 3.078 124.258 121.223 -0.073 0.000 2.504 335 L HA 0.383 4.722 4.340 -0.000 0.000 0.265 335 L C -1.295 175.534 176.870 -0.067 0.000 0.975 335 L CA -0.458 54.323 54.840 -0.099 0.000 0.864 335 L CB 1.473 43.479 42.059 -0.089 0.000 1.212 335 L HN 1.045 nan 8.230 nan 0.000 0.416 336 D N 4.329 124.680 120.400 -0.082 0.000 2.325 336 D HA 0.043 4.683 4.640 -0.000 0.000 0.251 336 D C 1.014 177.250 176.300 -0.106 0.000 1.196 336 D CA -0.325 53.633 54.000 -0.070 0.000 0.866 336 D CB 2.292 43.056 40.800 -0.059 0.000 1.101 336 D HN 0.374 nan 8.370 nan 0.000 0.476 337 V N 1.057 120.900 119.914 -0.119 0.000 3.590 337 V HA 0.239 4.359 4.120 -0.000 0.000 0.265 337 V C 0.565 176.527 176.094 -0.219 0.000 1.239 337 V CA 0.259 62.433 62.300 -0.210 0.000 1.117 337 V CB -0.531 31.094 31.823 -0.330 0.000 0.818 337 V HN 0.641 nan 8.190 nan 0.000 0.451 338 R N 0.750 121.158 120.500 -0.153 0.000 2.572 338 R HA 0.518 4.858 4.340 -0.000 0.000 0.273 338 R C -1.350 174.892 176.300 -0.097 0.000 1.168 338 R CA -0.500 55.516 56.100 -0.140 0.000 1.021 338 R CB 1.341 31.565 30.300 -0.126 0.000 1.249 338 R HN 0.444 nan 8.270 nan 0.000 0.423 339 R N 1.810 122.246 120.500 -0.105 0.000 2.599 339 R HA 0.289 4.629 4.340 -0.000 0.000 0.295 339 R C -0.472 175.805 176.300 -0.038 0.000 0.963 339 R CA -0.950 55.109 56.100 -0.069 0.000 0.883 339 R CB 2.137 32.381 30.300 -0.093 0.000 1.171 339 R HN 0.705 nan 8.270 nan 0.000 0.450 340 T N 0.016 114.566 114.554 -0.007 0.000 2.902 340 T HA 0.468 4.818 4.350 -0.000 0.000 0.301 340 T C 0.598 175.324 174.700 0.043 0.000 1.012 340 T CA 0.654 62.764 62.100 0.018 0.000 1.151 340 T CB 0.681 69.564 68.868 0.026 0.000 0.946 340 T HN 0.852 nan 8.240 nan 0.000 0.542 341 G N 1.505 110.348 108.800 0.071 0.000 2.369 341 G HA2 0.567 4.527 3.960 -0.000 0.000 0.293 341 G HA3 0.567 4.527 3.960 -0.000 0.000 0.293 341 G C -1.044 173.946 174.900 0.151 0.000 1.301 341 G CA -0.320 44.844 45.100 0.106 0.000 0.913 341 G HN 1.410 nan 8.290 nan 0.000 0.540 342 A N -1.243 121.642 122.820 0.108 0.000 2.437 342 A HA 0.896 5.216 4.320 -0.000 0.000 0.292 342 A C -0.879 176.555 177.584 -0.249 0.000 1.173 342 A CA -0.560 51.446 52.037 -0.051 0.000 0.785 342 A CB 1.735 20.702 19.000 -0.055 0.000 1.351 342 A HN 1.948 nan 8.150 nan 0.000 0.431 343 L N 0.724 121.613 121.223 -0.557 0.000 2.281 343 L HA 0.546 4.886 4.340 -0.000 0.000 0.285 343 L C -0.050 176.662 176.870 -0.262 0.000 1.074 343 L CA 0.604 55.140 54.840 -0.506 0.000 0.817 343 L CB 0.338 42.043 42.059 -0.589 0.000 1.168 343 L HN 0.843 nan 8.230 nan 0.000 0.434 344 E N 1.844 121.908 120.200 -0.225 0.000 2.446 344 E HA 0.524 4.874 4.350 -0.000 0.000 0.269 344 E C -1.263 175.041 176.600 -0.493 0.000 0.977 344 E CA -0.964 55.228 56.400 -0.347 0.000 0.854 344 E CB 2.056 31.515 29.700 -0.400 0.000 1.545 344 E HN 0.375 nan 8.360 nan 0.000 0.448 345 T N 1.430 115.652 114.554 -0.554 0.000 2.892 345 T HA 0.263 4.613 4.350 -0.000 0.000 0.311 345 T C -1.119 173.302 174.700 -0.466 0.000 1.033 345 T CA -0.472 61.378 62.100 -0.417 0.000 0.991 345 T CB -0.014 68.729 68.868 -0.208 0.000 0.981 345 T HN 0.309 nan 8.240 nan 0.000 0.457 346 Y N 2.265 122.649 120.300 0.141 0.000 2.994 346 Y HA 0.220 4.770 4.550 -0.000 0.000 0.393 346 Y C 1.178 177.068 175.900 -0.017 0.000 1.118 346 Y CA -0.848 57.232 58.100 -0.033 0.000 1.906 346 Y CB -0.492 38.246 38.460 0.464 0.000 1.925 346 Y HN 0.427 nan 8.280 nan 0.000 0.446 347 Q N 1.168 120.965 119.800 -0.006 0.000 2.360 347 Q HA 0.379 4.719 4.340 -0.000 0.000 0.254 347 Q C -0.971 175.097 176.000 0.113 0.000 0.975 347 Q CA -0.416 55.505 55.803 0.196 0.000 0.912 347 Q CB 0.976 29.819 28.738 0.175 0.000 1.212 347 Q HN 0.294 nan 8.270 nan 0.000 0.452 348 F N 0.000 120.044 119.950 0.156 0.000 2.286 348 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 348 F CA 0.000 58.039 58.000 0.065 0.000 1.383 348 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 348 F HN 0.000 nan 8.300 nan 0.000 0.574