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 1p38_1_A DATA FIRST_RESID 4 DATA SEQUENCE ERPTFYRQEL NKTIWEVPER YQNLSPVGSG AYGSVCAAFD TKTGHRVAVK DATA SEQUENCE KLSRPFQSII HAKRTYRELR LLKHMKHENV IGLLDVFTPA RSLEEFNDVY DATA SEQUENCE LVTHLMGADL NNIVKCQKLT DDHVQFLIYQ ILRGLKYIHS ADIIHRDLKP DATA SEQUENCE SNLAVNEDCE LKILDFGLAR HTDDEMTGYV ATRWYRAPEI MLNWMHYNQT DATA SEQUENCE VDIWSVGCIM AELLTGRTLF PGTDHIDQLK LILRLVGTPG AELLKKISSE DATA SEQUENCE SARNYIQSLA QMPKMNFANV FIGANPLAVD LLEKMLVLDS DKRITAAQAL DATA SEQUENCE AHAYFAQYHD PDDEPVADPY DQSFESRDLL IDEWKSLTYD EVISFVPPPL DATA SEQUENCE D 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.638 176.600 0.063 0.000 1.382 4 E CA 0.000 56.426 56.400 0.043 0.000 0.976 4 E CB 0.000 29.725 29.700 0.041 0.000 0.812 5 R N 2.030 122.580 120.500 0.084 0.000 1.000 5 R HA -0.058 4.288 4.340 0.009 0.000 0.430 5 R C -2.558 173.813 176.300 0.120 0.000 1.348 5 R CA 0.200 56.383 56.100 0.137 0.000 0.950 5 R CB -0.616 29.780 30.300 0.159 0.000 3.022 5 R HN 0.562 nan 8.270 nan 0.000 0.515 6 P HA 0.211 nan 4.420 nan 0.000 0.278 6 P C -0.615 176.722 177.300 0.061 0.000 1.258 6 P CA -0.374 62.716 63.100 -0.017 0.000 0.811 6 P CB 0.726 32.307 31.700 -0.199 0.000 1.063 7 T N 1.400 115.959 114.554 0.008 0.000 2.884 7 T HA 0.314 4.670 4.350 0.009 0.000 0.298 7 T C -0.085 174.652 174.700 0.061 0.000 0.998 7 T CA 0.365 62.528 62.100 0.105 0.000 1.124 7 T CB -0.230 68.674 68.868 0.060 0.000 0.931 7 T HN 0.130 nan 8.240 nan 0.000 0.531 8 F N 2.602 122.572 119.950 0.033 0.000 2.458 8 F HA 0.543 5.075 4.527 0.008 0.000 0.330 8 F C -0.007 175.876 175.800 0.138 0.000 1.082 8 F CA -1.219 56.801 58.000 0.034 0.000 0.995 8 F CB 1.131 40.121 39.000 -0.017 0.000 1.170 8 F HN 0.568 nan 8.300 nan 0.000 0.478 9 Y N 0.411 120.795 120.300 0.140 0.000 2.485 9 Y HA 0.772 5.326 4.550 0.007 0.000 0.345 9 Y C -0.867 175.126 175.900 0.155 0.000 0.998 9 Y CA -1.732 56.438 58.100 0.116 0.000 1.059 9 Y CB 1.190 39.686 38.460 0.060 0.000 1.234 9 Y HN 0.644 nan 8.280 nan 0.000 0.461 10 R N 2.910 123.505 120.500 0.158 0.000 2.711 10 R HA 0.658 5.003 4.340 0.009 0.000 0.284 10 R C -1.516 174.868 176.300 0.141 0.000 0.968 10 R CA -0.561 55.594 56.100 0.092 0.000 0.924 10 R CB 1.671 32.039 30.300 0.115 0.000 1.162 10 R HN 1.047 nan 8.270 nan 0.000 0.465 11 Q N 1.474 121.357 119.800 0.138 0.000 2.594 11 Q HA 0.216 4.561 4.340 0.009 0.000 0.278 11 Q C -1.853 174.270 176.000 0.204 0.000 0.961 11 Q CA -1.054 54.852 55.803 0.170 0.000 0.844 11 Q CB 1.623 30.475 28.738 0.191 0.000 1.475 11 Q HN 0.640 nan 8.270 nan 0.000 0.389 12 E N 2.627 122.931 120.200 0.174 0.000 2.151 12 E HA 0.569 4.925 4.350 0.009 0.000 0.275 12 E C -1.482 175.229 176.600 0.186 0.000 0.936 12 E CA -0.677 55.833 56.400 0.184 0.000 0.777 12 E CB 1.119 30.889 29.700 0.116 0.000 1.108 12 E HN 0.590 nan 8.360 nan 0.000 0.401 13 L N 4.347 125.723 121.223 0.255 0.000 2.409 13 L HA 0.378 4.723 4.340 0.009 0.000 0.272 13 L C -0.314 176.671 176.870 0.191 0.000 0.980 13 L CA -1.076 53.872 54.840 0.180 0.000 0.826 13 L CB 1.642 43.770 42.059 0.116 0.000 1.268 13 L HN 0.649 nan 8.230 nan 0.000 0.407 14 N N 2.199 120.971 118.700 0.119 0.000 2.721 14 N HA -0.230 4.516 4.740 0.009 0.000 0.249 14 N C 0.129 175.693 175.510 0.091 0.000 1.072 14 N CA 1.222 54.332 53.050 0.099 0.000 0.710 14 N CB -0.867 37.685 38.487 0.110 0.000 0.993 14 N HN 0.777 nan 8.380 nan 0.000 0.547 15 K N -4.076 116.373 120.400 0.081 0.000 3.500 15 K HA -0.221 4.105 4.320 0.009 0.000 0.313 15 K C -0.155 176.468 176.600 0.037 0.000 1.338 15 K CA 1.625 57.942 56.287 0.051 0.000 0.963 15 K CB -1.837 30.679 32.500 0.027 0.000 1.267 15 K HN 0.696 nan 8.250 nan 0.000 0.448 16 T N -1.668 112.934 114.554 0.080 0.000 2.856 16 T HA 0.662 5.017 4.350 0.009 0.000 0.283 16 T C -0.002 174.713 174.700 0.024 0.000 1.008 16 T CA -1.134 60.960 62.100 -0.010 0.000 0.997 16 T CB 1.412 70.241 68.868 -0.065 0.000 0.992 16 T HN 0.033 nan 8.240 nan 0.000 0.454 17 I N 3.046 123.561 120.570 -0.092 0.000 2.352 17 I HA 0.292 4.468 4.170 0.009 0.000 0.290 17 I C -0.800 175.268 176.117 -0.081 0.000 1.036 17 I CA -1.094 60.203 61.300 -0.005 0.000 1.336 17 I CB 0.279 38.279 38.000 0.001 0.000 1.407 17 I HN 0.778 nan 8.210 nan 0.000 0.497 18 W N 5.349 126.713 121.300 0.106 0.000 2.361 18 W HA 0.443 5.109 4.660 0.009 0.000 0.314 18 W C 0.375 176.918 176.519 0.039 0.000 1.041 18 W CA -0.569 56.872 57.345 0.160 0.000 1.241 18 W CB 1.004 30.526 29.460 0.103 0.000 1.279 18 W HN 0.444 nan 8.180 nan 0.000 0.436 19 E N 3.677 124.022 120.200 0.242 0.000 2.149 19 E HA 0.471 4.826 4.350 0.009 0.000 0.255 19 E C -0.985 175.682 176.600 0.112 0.000 0.888 19 E CA -0.518 55.960 56.400 0.130 0.000 0.742 19 E CB 0.799 30.597 29.700 0.164 0.000 1.164 19 E HN 0.352 nan 8.360 nan 0.000 0.422 20 V N 1.167 121.025 119.914 -0.094 0.000 3.102 20 V HA 0.731 4.857 4.120 0.009 0.000 0.312 20 V C -2.757 172.939 176.094 -0.664 0.000 1.135 20 V CA -2.948 59.134 62.300 -0.364 0.000 1.022 20 V CB 1.591 33.310 31.823 -0.173 0.000 1.056 20 V HN 0.474 nan 8.190 nan 0.000 0.436 21 P HA 0.181 nan 4.420 nan 0.000 0.269 21 P C 0.553 177.704 177.300 -0.248 0.000 1.215 21 P CA 0.033 62.577 63.100 -0.928 0.000 0.780 21 P CB 0.344 31.461 31.700 -0.971 0.000 0.898 22 E N 3.358 123.500 120.200 -0.096 0.000 2.472 22 E HA -0.217 4.138 4.350 0.009 0.000 0.200 22 E C 1.383 177.912 176.600 -0.118 0.000 1.046 22 E CA 0.481 56.894 56.400 0.021 0.000 0.871 22 E CB -0.478 29.167 29.700 -0.091 0.000 0.806 22 E HN 0.449 nan 8.360 nan 0.000 0.533 23 R N 0.603 120.917 120.500 -0.310 0.000 2.152 23 R HA -0.107 4.239 4.340 0.009 0.000 0.232 23 R C -0.046 175.960 176.300 -0.491 0.000 1.117 23 R CA 0.719 56.547 56.100 -0.454 0.000 0.981 23 R CB -0.507 29.402 30.300 -0.652 0.000 0.870 23 R HN 0.119 nan 8.270 nan 0.000 0.451 24 Y N 2.234 122.504 120.300 -0.051 0.000 2.383 24 Y HA 0.313 4.868 4.550 0.007 0.000 0.344 24 Y C 0.211 176.188 175.900 0.129 0.000 0.986 24 Y CA -0.651 57.453 58.100 0.006 0.000 1.175 24 Y CB 0.932 39.386 38.460 -0.010 0.000 1.152 24 Y HN 0.009 nan 8.280 nan 0.000 0.511 25 Q N 1.820 121.767 119.800 0.244 0.000 2.399 25 Q HA 0.342 4.687 4.340 0.009 0.000 0.276 25 Q C -0.294 175.836 176.000 0.216 0.000 1.098 25 Q CA -0.955 54.983 55.803 0.225 0.000 0.827 25 Q CB 1.784 30.629 28.738 0.178 0.000 1.386 25 Q HN 0.698 nan 8.270 nan 0.000 0.443 26 N N 0.293 119.085 118.700 0.152 0.000 2.714 26 N HA -0.189 4.557 4.740 0.009 0.000 0.253 26 N C -0.990 174.559 175.510 0.065 0.000 1.024 26 N CA 0.386 53.494 53.050 0.097 0.000 0.726 26 N CB -1.444 37.092 38.487 0.082 0.000 0.908 26 N HN 0.356 nan 8.380 nan 0.000 0.542 27 L N 0.582 121.824 121.223 0.031 0.000 2.410 27 L HA 0.220 4.566 4.340 0.009 0.000 0.273 27 L C 0.886 177.681 176.870 -0.125 0.000 1.152 27 L CA 0.345 55.125 54.840 -0.100 0.000 0.855 27 L CB 0.895 42.808 42.059 -0.243 0.000 1.129 27 L HN 0.395 nan 8.230 nan 0.000 0.463 28 S N 3.169 118.786 115.700 -0.138 0.000 2.647 28 S HA 0.681 5.156 4.470 0.009 0.000 0.300 28 S C -2.765 171.763 174.600 -0.120 0.000 1.129 28 S CA -1.757 56.383 58.200 -0.099 0.000 1.029 28 S CB 1.710 64.887 63.200 -0.038 0.000 1.007 28 S HN 0.274 nan 8.310 nan 0.000 0.484 29 P HA 0.049 nan 4.420 nan 0.000 0.261 29 P C -0.010 177.284 177.300 -0.010 0.000 1.173 29 P CA 0.089 63.163 63.100 -0.043 0.000 0.760 29 P CB 0.641 32.350 31.700 0.015 0.000 0.783 30 V N 2.315 122.239 119.914 0.016 0.000 3.372 30 V HA 0.484 4.610 4.120 0.009 0.000 0.304 30 V C 0.332 176.467 176.094 0.069 0.000 1.530 30 V CA 0.771 63.091 62.300 0.033 0.000 1.080 30 V CB 0.309 32.144 31.823 0.020 0.000 0.929 30 V HN 0.878 nan 8.190 nan 0.000 0.455 31 G N -0.722 108.132 108.800 0.091 0.000 2.318 31 G HA2 0.388 4.353 3.960 0.009 0.000 0.302 31 G HA3 0.388 4.353 3.960 0.009 0.000 0.302 31 G C -0.973 173.999 174.900 0.118 0.000 1.633 31 G CA 0.301 45.474 45.100 0.121 0.000 0.965 31 G HN 0.089 nan 8.290 nan 0.000 0.698 32 S N -1.373 114.380 115.700 0.089 0.000 2.900 32 S HA 1.062 5.537 4.470 0.009 0.000 0.320 32 S C 0.381 174.887 174.600 -0.156 0.000 1.130 32 S CA 0.778 58.951 58.200 -0.045 0.000 0.863 32 S CB 1.654 64.844 63.200 -0.016 0.000 1.295 32 S HN 2.624 nan 8.310 nan 0.000 0.596 33 G N -0.422 108.192 108.800 -0.309 0.000 2.368 33 G HA2 0.451 4.417 3.960 0.009 0.000 0.302 33 G HA3 0.451 4.417 3.960 0.009 0.000 0.302 33 G C -0.015 174.646 174.900 -0.398 0.000 1.329 33 G CA 0.111 45.035 45.100 -0.294 0.000 0.935 33 G HN 1.078 nan 8.290 nan 0.000 0.590 34 A N -1.044 121.676 122.820 -0.166 0.000 2.178 34 A HA 0.410 4.736 4.320 0.009 0.000 0.211 34 A C 1.780 179.290 177.584 -0.123 0.000 1.157 34 A CA 1.939 53.895 52.037 -0.134 0.000 0.780 34 A CB -0.576 18.404 19.000 -0.033 0.000 0.828 34 A HN 1.507 nan 8.150 nan 0.000 0.476 35 Y N -1.629 118.644 120.300 -0.046 0.000 2.176 35 Y HA 0.433 4.989 4.550 0.010 0.000 0.291 35 Y C 0.936 176.788 175.900 -0.081 0.000 1.122 35 Y CA 0.028 58.101 58.100 -0.046 0.000 1.128 35 Y CB -0.737 37.705 38.460 -0.031 0.000 1.005 35 Y HN 0.301 nan 8.280 nan 0.000 0.509 36 G N -0.491 107.695 108.800 -1.023 0.000 2.404 36 G HA2 0.380 4.345 3.960 0.009 0.000 0.298 36 G HA3 0.380 4.345 3.960 0.009 0.000 0.298 36 G C -1.661 172.830 174.900 -0.682 0.000 1.577 36 G CA -0.701 44.026 45.100 -0.623 0.000 0.847 36 G HN 0.191 nan 8.290 nan 0.000 0.598 37 S N -0.779 114.710 115.700 -0.353 0.000 2.562 37 S HA 0.726 5.201 4.470 0.009 0.000 0.275 37 S C 0.136 174.861 174.600 0.208 0.000 1.281 37 S CA -0.547 57.605 58.200 -0.081 0.000 1.045 37 S CB 1.640 64.822 63.200 -0.030 0.000 0.962 37 S HN 0.780 nan 8.310 nan 0.000 0.503 38 V N 1.920 122.005 119.914 0.284 0.000 2.735 38 V HA 0.506 4.632 4.120 0.009 0.000 0.310 38 V C -0.409 175.755 176.094 0.116 0.000 1.061 38 V CA -0.687 61.771 62.300 0.264 0.000 0.913 38 V CB 1.734 33.659 31.823 0.170 0.000 1.005 38 V HN 0.980 nan 8.190 nan 0.000 0.428 39 C N 3.089 122.338 119.300 -0.085 0.000 2.563 39 C HA 0.865 5.330 4.460 0.009 0.000 0.314 39 C C 0.602 175.502 174.990 -0.150 0.000 1.199 39 C CA -0.621 58.216 59.018 -0.302 0.000 1.564 39 C CB 1.314 28.541 27.740 -0.855 0.000 2.173 39 C HN 1.053 nan 8.230 nan 0.000 0.485 40 A N 2.402 125.166 122.820 -0.094 0.000 2.316 40 A HA 0.904 5.230 4.320 0.009 0.000 0.284 40 A C -0.150 177.422 177.584 -0.020 0.000 1.115 40 A CA 0.119 52.143 52.037 -0.022 0.000 0.812 40 A CB 0.574 19.579 19.000 0.009 0.000 1.064 40 A HN 1.658 nan 8.150 nan 0.000 0.489 41 A N 0.675 123.526 122.820 0.051 0.000 2.612 41 A HA 0.617 4.943 4.320 0.009 0.000 0.293 41 A C -1.394 176.326 177.584 0.226 0.000 1.075 41 A CA -0.496 51.609 52.037 0.113 0.000 0.680 41 A CB 0.688 19.735 19.000 0.078 0.000 1.279 41 A HN 1.404 nan 8.150 nan 0.000 0.411 42 F N 1.736 121.751 119.950 0.108 0.000 2.391 42 F HA 0.499 5.031 4.527 0.009 0.000 0.359 42 F C -0.060 175.820 175.800 0.132 0.000 1.122 42 F CA -0.777 57.286 58.000 0.106 0.000 1.120 42 F CB 0.983 40.017 39.000 0.057 0.000 1.142 42 F HN 0.537 nan 8.300 nan 0.000 0.483 43 D N 4.218 124.286 120.400 -0.554 0.000 2.393 43 D HA 0.076 4.721 4.640 0.009 0.000 0.232 43 D C 1.273 177.023 176.300 -0.917 0.000 1.192 43 D CA 0.089 53.793 54.000 -0.493 0.000 0.882 43 D CB 1.014 41.722 40.800 -0.153 0.000 1.038 43 D HN 0.679 nan 8.370 nan 0.000 0.499 44 T N 1.177 115.323 114.554 -0.680 0.000 2.962 44 T HA -0.120 4.235 4.350 0.009 0.000 0.270 44 T C 1.438 175.953 174.700 -0.309 0.000 1.088 44 T CA 0.794 62.633 62.100 -0.435 0.000 1.127 44 T CB 0.035 68.819 68.868 -0.140 0.000 0.883 44 T HN 0.280 nan 8.240 nan 0.000 0.493 45 K N 1.104 121.304 120.400 -0.332 0.000 2.116 45 K HA 0.006 4.331 4.320 0.009 0.000 0.203 45 K C 2.668 179.140 176.600 -0.212 0.000 1.052 45 K CA 1.677 57.823 56.287 -0.235 0.000 0.952 45 K CB -0.273 32.090 32.500 -0.228 0.000 0.729 45 K HN 0.653 nan 8.250 nan 0.000 0.446 46 T N -3.316 111.081 114.554 -0.263 0.000 3.014 46 T HA 0.190 4.546 4.350 0.009 0.000 0.250 46 T C 1.467 175.912 174.700 -0.425 0.000 1.060 46 T CA 0.706 62.623 62.100 -0.305 0.000 1.040 46 T CB 0.542 69.255 68.868 -0.258 0.000 0.971 46 T HN 0.325 nan 8.240 nan 0.000 0.497 47 G N 0.998 109.569 108.800 -0.382 0.000 2.179 47 G HA2 -0.237 3.729 3.960 0.009 0.000 0.260 47 G HA3 -0.237 3.729 3.960 0.009 0.000 0.260 47 G C -0.062 174.791 174.900 -0.078 0.000 0.977 47 G CA 0.314 45.274 45.100 -0.234 0.000 0.641 47 G HN 0.799 nan 8.290 nan 0.000 0.533 48 H N -0.354 118.678 119.070 -0.062 0.000 2.505 48 H HA 0.569 5.130 4.556 0.009 0.000 0.351 48 H C 0.700 176.068 175.328 0.067 0.000 1.151 48 H CA -0.619 55.478 56.048 0.081 0.000 1.339 48 H CB 0.883 30.745 29.762 0.166 0.000 1.483 48 H HN 0.232 nan 8.280 nan 0.000 0.558 49 R N 1.975 122.672 120.500 0.328 0.000 2.308 49 R HA 0.337 4.682 4.340 0.009 0.000 0.305 49 R C -0.909 175.511 176.300 0.201 0.000 1.053 49 R CA -0.498 55.770 56.100 0.280 0.000 0.957 49 R CB 0.409 30.862 30.300 0.255 0.000 1.022 49 R HN 0.489 nan 8.270 nan 0.000 0.461 50 V N 0.321 120.329 119.914 0.156 0.000 3.126 50 V HA 0.889 5.014 4.120 0.009 0.000 0.314 50 V C -0.833 175.294 176.094 0.055 0.000 1.138 50 V CA -1.174 61.188 62.300 0.103 0.000 1.034 50 V CB 1.848 33.727 31.823 0.093 0.000 1.075 50 V HN 0.836 nan 8.190 nan 0.000 0.442 51 A N 1.264 124.101 122.820 0.028 0.000 2.271 51 A HA 0.800 5.126 4.320 0.009 0.000 0.317 51 A C -0.601 176.977 177.584 -0.010 0.000 1.245 51 A CA -0.583 51.464 52.037 0.016 0.000 0.857 51 A CB 0.980 20.001 19.000 0.036 0.000 1.175 51 A HN 1.255 nan 8.150 nan 0.000 0.512 52 V N 3.598 123.506 119.914 -0.011 0.000 2.347 52 V HA 0.371 4.497 4.120 0.009 0.000 0.280 52 V C 0.197 176.421 176.094 0.218 0.000 1.021 52 V CA -0.516 61.808 62.300 0.040 0.000 0.847 52 V CB 1.233 33.066 31.823 0.017 0.000 0.990 52 V HN 0.875 nan 8.190 nan 0.000 0.444 53 K N 4.854 125.344 120.400 0.150 0.000 2.307 53 K HA 0.457 4.783 4.320 0.009 0.000 0.263 53 K C -0.468 176.090 176.600 -0.071 0.000 0.973 53 K CA -0.707 55.651 56.287 0.117 0.000 0.846 53 K CB 1.204 33.729 32.500 0.041 0.000 1.100 53 K HN 0.610 nan 8.250 nan 0.000 0.438 54 K N 6.609 126.849 120.400 -0.266 0.000 2.253 54 K HA 0.224 4.550 4.320 0.009 0.000 0.277 54 K C -0.421 175.823 176.600 -0.595 0.000 1.053 54 K CA -0.553 55.236 56.287 -0.831 0.000 0.892 54 K CB 0.594 32.270 32.500 -1.373 0.000 1.102 54 K HN 0.631 nan 8.250 nan 0.000 0.469 55 L N 4.029 124.937 121.223 -0.526 0.000 2.455 55 L HA -0.026 4.319 4.340 0.009 0.000 0.272 55 L C 1.544 178.155 176.870 -0.432 0.000 1.174 55 L CA -0.239 54.366 54.840 -0.392 0.000 0.869 55 L CB 1.009 42.859 42.059 -0.348 0.000 1.130 55 L HN 0.872 nan 8.230 nan 0.000 0.474 56 S N 2.935 118.417 115.700 -0.364 0.000 2.444 56 S HA -0.149 4.326 4.470 0.009 0.000 0.225 56 S C 0.854 175.256 174.600 -0.331 0.000 1.042 56 S CA 1.225 59.220 58.200 -0.341 0.000 1.132 56 S CB -0.115 62.917 63.200 -0.281 0.000 1.099 56 S HN 0.601 nan 8.310 nan 0.000 0.417 57 R N 1.186 121.494 120.500 -0.319 0.000 2.985 57 R HA 0.190 4.535 4.340 0.009 0.000 0.259 57 R C -2.532 173.537 176.300 -0.386 0.000 1.815 57 R CA -1.122 54.785 56.100 -0.323 0.000 1.278 57 R CB 1.579 31.727 30.300 -0.254 0.000 1.403 57 R HN 0.304 nan 8.270 nan 0.000 0.534 58 P HA -0.075 nan 4.420 nan 0.000 0.225 58 P C 0.163 177.004 177.300 -0.766 0.000 1.148 58 P CA 1.017 63.674 63.100 -0.738 0.000 0.779 58 P CB 0.199 31.258 31.700 -1.069 0.000 0.780 59 F N -0.598 119.293 119.950 -0.099 0.000 2.881 59 F HA 0.388 4.920 4.527 0.009 0.000 0.343 59 F C 1.954 177.720 175.800 -0.058 0.000 1.233 59 F CA -0.551 57.419 58.000 -0.050 0.000 1.262 59 F CB -0.408 38.546 39.000 -0.076 0.000 0.980 59 F HN -0.205 nan 8.300 nan 0.000 0.506 60 Q N 0.551 120.336 119.800 -0.024 0.000 2.297 60 Q HA 0.015 4.360 4.340 0.009 0.000 0.204 60 Q C 0.619 176.622 176.000 0.004 0.000 0.962 60 Q CA 0.925 56.676 55.803 -0.087 0.000 0.879 60 Q CB 0.352 28.903 28.738 -0.312 0.000 0.947 60 Q HN 0.475 nan 8.270 nan 0.000 0.462 61 S N -2.561 113.208 115.700 0.115 0.000 2.615 61 S HA 0.296 4.771 4.470 0.009 0.000 0.269 61 S C 0.400 175.112 174.600 0.185 0.000 1.161 61 S CA -0.834 57.462 58.200 0.159 0.000 0.817 61 S CB 0.148 63.483 63.200 0.225 0.000 1.131 61 S HN 0.097 nan 8.310 nan 0.000 0.467 62 I N 0.981 121.644 120.570 0.156 0.000 2.361 62 I HA -0.121 4.054 4.170 0.009 0.000 0.251 62 I C 2.032 178.173 176.117 0.039 0.000 1.133 62 I CA 1.234 62.636 61.300 0.170 0.000 1.413 62 I CB -0.470 37.648 38.000 0.196 0.000 1.073 62 I HN 0.597 nan 8.210 nan 0.000 0.424 63 I N 0.159 120.741 120.570 0.019 0.000 2.142 63 I HA -0.318 3.858 4.170 0.009 0.000 0.240 63 I C 2.537 178.558 176.117 -0.160 0.000 1.078 63 I CA 1.707 62.950 61.300 -0.096 0.000 1.343 63 I CB -0.625 37.291 38.000 -0.139 0.000 1.046 63 I HN 0.221 nan 8.210 nan 0.000 0.405 64 H N 0.479 119.523 119.070 -0.043 0.000 2.321 64 H HA -0.090 4.472 4.556 0.009 0.000 0.300 64 H C 2.314 177.606 175.328 -0.059 0.000 1.087 64 H CA 1.648 57.660 56.048 -0.059 0.000 1.319 64 H CB -0.270 29.453 29.762 -0.065 0.000 1.379 64 H HN 0.340 nan 8.280 nan 0.000 0.501 65 A N 0.924 123.836 122.820 0.154 0.000 1.902 65 A HA -0.237 4.089 4.320 0.009 0.000 0.217 65 A C 2.170 179.759 177.584 0.008 0.000 1.181 65 A CA 1.905 54.114 52.037 0.287 0.000 0.623 65 A CB -0.475 18.800 19.000 0.459 0.000 0.818 65 A HN 0.388 nan 8.150 nan 0.000 0.443 66 K N -0.515 119.617 120.400 -0.447 0.000 2.057 66 K HA -0.156 4.169 4.320 0.009 0.000 0.206 66 K C 2.358 178.764 176.600 -0.324 0.000 1.050 66 K CA 1.350 57.075 56.287 -0.936 0.000 0.935 66 K CB -0.208 31.601 32.500 -1.152 0.000 0.715 66 K HN 0.446 nan 8.250 nan 0.000 0.439 67 R N 0.128 120.515 120.500 -0.189 0.000 2.083 67 R HA -0.130 4.216 4.340 0.009 0.000 0.237 67 R C 1.894 178.166 176.300 -0.046 0.000 1.137 67 R CA 2.210 58.254 56.100 -0.094 0.000 0.951 67 R CB -0.473 29.758 30.300 -0.116 0.000 0.851 67 R HN 0.193 nan 8.270 nan 0.000 0.434 68 T N 0.235 114.773 114.554 -0.027 0.000 2.652 68 T HA -0.228 4.128 4.350 0.009 0.000 0.267 68 T C 1.409 176.145 174.700 0.060 0.000 1.039 68 T CA 1.728 63.823 62.100 -0.008 0.000 1.153 68 T CB -0.579 68.256 68.868 -0.055 0.000 0.863 68 T HN 0.395 nan 8.240 nan 0.000 0.428 69 Y N 2.260 122.566 120.300 0.010 0.000 2.128 69 Y HA -0.179 4.377 4.550 0.009 0.000 0.284 69 Y C 2.703 178.537 175.900 -0.109 0.000 1.154 69 Y CA 1.696 59.794 58.100 -0.002 0.000 1.149 69 Y CB -0.344 38.132 38.460 0.027 0.000 0.976 69 Y HN -0.004 nan 8.280 nan 0.000 0.505 70 R N 0.453 120.871 120.500 -0.136 0.000 2.080 70 R HA -0.254 4.091 4.340 0.009 0.000 0.236 70 R C 2.386 178.630 176.300 -0.092 0.000 1.137 70 R CA 2.129 58.194 56.100 -0.058 0.000 0.943 70 R CB -0.541 29.851 30.300 0.153 0.000 0.846 70 R HN 0.589 nan 8.270 nan 0.000 0.431 71 E N 0.078 120.231 120.200 -0.078 0.000 2.058 71 E HA -0.229 4.126 4.350 0.009 0.000 0.194 71 E C 2.034 178.568 176.600 -0.110 0.000 0.997 71 E CA 1.310 57.660 56.400 -0.082 0.000 0.801 71 E CB -0.112 29.553 29.700 -0.058 0.000 0.746 71 E HN 0.278 nan 8.360 nan 0.000 0.450 72 L N 1.331 122.479 121.223 -0.125 0.000 2.017 72 L HA -0.179 4.167 4.340 0.009 0.000 0.208 72 L C 2.334 179.122 176.870 -0.136 0.000 1.073 72 L CA 1.701 56.472 54.840 -0.114 0.000 0.745 72 L CB -0.527 41.487 42.059 -0.074 0.000 0.894 72 L HN 0.053 nan 8.230 nan 0.000 0.432 73 R N -0.563 119.770 120.500 -0.279 0.000 2.094 73 R HA -0.192 4.154 4.340 0.009 0.000 0.239 73 R C 2.289 178.614 176.300 0.042 0.000 1.137 73 R CA 1.924 57.919 56.100 -0.176 0.000 0.943 73 R CB -1.371 28.689 30.300 -0.400 0.000 0.850 73 R HN 0.377 nan 8.270 nan 0.000 0.433 74 L N 0.559 121.762 121.223 -0.034 0.000 1.994 74 L HA -0.171 4.174 4.340 0.009 0.000 0.208 74 L C 2.210 178.963 176.870 -0.196 0.000 1.071 74 L CA 1.308 56.025 54.840 -0.206 0.000 0.745 74 L CB -0.472 41.389 42.059 -0.330 0.000 0.892 74 L HN 0.053 nan 8.230 nan 0.000 0.431 75 L N -0.324 120.814 121.223 -0.142 0.000 2.079 75 L HA -0.246 4.100 4.340 0.009 0.000 0.210 75 L C 2.447 179.332 176.870 0.025 0.000 1.081 75 L CA 1.736 56.531 54.840 -0.076 0.000 0.752 75 L CB -0.930 41.094 42.059 -0.059 0.000 0.896 75 L HN 0.261 nan 8.230 nan 0.000 0.433 76 K N -1.905 118.538 120.400 0.072 0.000 2.211 76 K HA -0.170 4.155 4.320 0.009 0.000 0.203 76 K C 2.088 178.785 176.600 0.161 0.000 1.050 76 K CA 0.816 57.209 56.287 0.177 0.000 0.945 76 K CB -0.184 32.436 32.500 0.200 0.000 0.732 76 K HN 0.425 nan 8.250 nan 0.000 0.451 77 H N -0.018 119.071 119.070 0.033 0.000 2.436 77 H HA 0.078 4.640 4.556 0.009 0.000 0.294 77 H C 0.216 175.580 175.328 0.061 0.000 1.048 77 H CA 0.413 56.480 56.048 0.031 0.000 1.353 77 H CB 0.394 30.108 29.762 -0.080 0.000 1.414 77 H HN -0.008 nan 8.280 nan 0.000 0.536 78 M N 2.337 121.984 119.600 0.079 0.000 2.435 78 M HA 0.059 4.545 4.480 0.009 0.000 0.338 78 M C -0.332 176.012 176.300 0.073 0.000 1.628 78 M CA 0.819 56.198 55.300 0.133 0.000 1.215 78 M CB -0.039 32.606 32.600 0.075 0.000 1.905 78 M HN 0.037 nan 8.290 nan 0.000 0.457 79 K N 3.161 123.596 120.400 0.058 0.000 2.687 79 K HA 0.386 4.712 4.320 0.009 0.000 0.197 79 K C -1.111 175.359 176.600 -0.216 0.000 1.049 79 K CA -0.355 55.914 56.287 -0.030 0.000 1.030 79 K CB 1.099 33.606 32.500 0.012 0.000 1.261 79 K HN 0.621 nan 8.250 nan 0.000 0.565 80 H N -0.338 118.484 119.070 -0.413 0.000 3.038 80 H HA 0.124 4.685 4.556 0.009 0.000 0.362 80 H C 0.348 175.517 175.328 -0.264 0.000 1.167 80 H CA -0.451 55.281 56.048 -0.527 0.000 1.197 80 H CB 1.526 30.636 29.762 -1.086 0.000 1.840 80 H HN 0.319 nan 8.280 nan 0.000 0.540 81 E N 1.946 121.872 120.200 -0.457 0.000 2.118 81 E HA -0.183 4.172 4.350 0.009 0.000 0.195 81 E C 0.248 176.808 176.600 -0.068 0.000 0.992 81 E CA 1.410 57.677 56.400 -0.222 0.000 0.804 81 E CB 0.022 29.572 29.700 -0.250 0.000 0.741 81 E HN 0.563 nan 8.360 nan 0.000 0.458 82 N N 0.023 118.793 118.700 0.117 0.000 2.276 82 N HA 0.078 4.824 4.740 0.009 0.000 0.212 82 N C -1.124 174.400 175.510 0.024 0.000 1.127 82 N CA -0.193 52.891 53.050 0.057 0.000 0.834 82 N CB 1.071 39.567 38.487 0.015 0.000 1.014 82 N HN -0.150 nan 8.380 nan 0.000 0.491 83 V N 0.935 120.883 119.914 0.057 0.000 2.789 83 V HA 0.296 4.421 4.120 0.009 0.000 0.311 83 V C -0.070 176.087 176.094 0.104 0.000 1.073 83 V CA -1.155 61.191 62.300 0.076 0.000 0.921 83 V CB 2.676 34.562 31.823 0.105 0.000 1.009 83 V HN 0.118 nan 8.190 nan 0.000 0.426 84 I N 2.907 123.573 120.570 0.160 0.000 2.683 84 I HA 0.458 4.634 4.170 0.009 0.000 0.286 84 I C 0.745 176.945 176.117 0.138 0.000 1.175 84 I CA 0.843 62.233 61.300 0.150 0.000 1.429 84 I CB 0.501 38.601 38.000 0.167 0.000 1.371 84 I HN 0.800 nan 8.210 nan 0.000 0.569 85 G N 7.117 115.987 108.800 0.118 0.000 2.600 85 G HA2 0.487 4.453 3.960 0.009 0.000 0.303 85 G HA3 0.487 4.453 3.960 0.009 0.000 0.303 85 G C -1.312 173.634 174.900 0.076 0.000 1.253 85 G CA -0.832 44.327 45.100 0.098 0.000 0.974 85 G HN 0.568 nan 8.290 nan 0.000 0.483 86 L N 1.527 122.807 121.223 0.095 0.000 2.260 86 L HA 0.304 4.650 4.340 0.009 0.000 0.289 86 L C 1.015 177.974 176.870 0.148 0.000 1.057 86 L CA -0.519 54.362 54.840 0.068 0.000 0.811 86 L CB 1.280 43.380 42.059 0.068 0.000 1.184 86 L HN 0.515 nan 8.230 nan 0.000 0.429 87 L N 2.661 123.905 121.223 0.035 0.000 2.162 87 L HA 0.095 4.441 4.340 0.009 0.000 0.205 87 L C 0.142 177.144 176.870 0.220 0.000 1.086 87 L CA 0.803 55.702 54.840 0.099 0.000 0.778 87 L CB 0.043 42.076 42.059 -0.043 0.000 0.928 87 L HN 0.641 nan 8.230 nan 0.000 0.446 88 D N -2.223 118.149 120.400 -0.048 0.000 2.683 88 D HA 0.384 5.029 4.640 0.009 0.000 0.246 88 D C -1.684 174.352 176.300 -0.441 0.000 1.238 88 D CA -0.234 53.637 54.000 -0.215 0.000 0.759 88 D CB 2.358 43.304 40.800 0.242 0.000 1.349 88 D HN -0.267 nan 8.370 nan 0.000 0.426 89 V N 2.705 122.322 119.914 -0.496 0.000 2.851 89 V HA 0.905 5.031 4.120 0.009 0.000 0.307 89 V C -1.706 174.406 176.094 0.031 0.000 1.129 89 V CA -0.452 61.664 62.300 -0.308 0.000 0.932 89 V CB 1.177 32.761 31.823 -0.399 0.000 1.024 89 V HN 0.587 nan 8.190 nan 0.000 0.426 90 F N 2.521 122.526 119.950 0.092 0.000 2.711 90 F HA 0.922 5.454 4.527 0.008 0.000 0.313 90 F C -0.796 175.201 175.800 0.327 0.000 1.141 90 F CA -0.553 57.568 58.000 0.201 0.000 0.941 90 F CB 1.783 40.921 39.000 0.230 0.000 1.349 90 F HN 0.593 nan 8.300 nan 0.000 0.464 91 T N 1.285 116.218 114.554 0.633 0.000 2.993 91 T HA 0.475 4.830 4.350 0.009 0.000 0.312 91 T C -2.491 172.373 174.700 0.272 0.000 1.115 91 T CA -1.607 60.813 62.100 0.533 0.000 1.027 91 T CB 2.027 71.234 68.868 0.565 0.000 1.116 91 T HN 0.589 nan 8.240 nan 0.000 0.464 92 P HA 0.219 nan 4.420 nan 0.000 0.241 92 P C 0.406 177.526 177.300 -0.300 0.000 1.191 92 P CA -0.040 62.671 63.100 -0.648 0.000 0.771 92 P CB -0.088 31.398 31.700 -0.356 0.000 0.929 93 A N 1.126 123.961 122.820 0.024 0.000 2.511 93 A HA 0.057 4.383 4.320 0.009 0.000 0.242 93 A C 1.335 178.961 177.584 0.070 0.000 1.069 93 A CA -0.031 52.067 52.037 0.102 0.000 0.763 93 A CB -0.027 19.153 19.000 0.299 0.000 1.001 93 A HN 0.078 nan 8.150 nan 0.000 0.498 94 R N 0.813 121.336 120.500 0.038 0.000 2.280 94 R HA 0.092 4.438 4.340 0.009 0.000 0.195 94 R C 0.331 176.683 176.300 0.086 0.000 0.935 94 R CA 0.963 57.090 56.100 0.046 0.000 1.033 94 R CB 0.002 30.311 30.300 0.015 0.000 0.964 94 R HN 0.860 nan 8.270 nan 0.000 0.489 95 S N -1.236 114.502 115.700 0.063 0.000 2.625 95 S HA 0.144 4.620 4.470 0.009 0.000 0.271 95 S C 0.265 174.698 174.600 -0.278 0.000 1.161 95 S CA -0.928 57.263 58.200 -0.014 0.000 0.820 95 S CB 1.234 64.416 63.200 -0.030 0.000 1.137 95 S HN -0.006 nan 8.310 nan 0.000 0.470 96 L N 1.125 121.996 121.223 -0.587 0.000 2.131 96 L HA 0.144 4.490 4.340 0.009 0.000 0.210 96 L C 2.085 178.771 176.870 -0.307 0.000 1.092 96 L CA 2.099 56.426 54.840 -0.855 0.000 0.759 96 L CB -1.266 40.403 42.059 -0.650 0.000 0.903 96 L HN 0.832 nan 8.230 nan 0.000 0.435 97 E N 0.637 120.727 120.200 -0.182 0.000 2.085 97 E HA -0.236 4.119 4.350 0.009 0.000 0.194 97 E C 1.841 178.408 176.600 -0.055 0.000 0.994 97 E CA 1.793 58.135 56.400 -0.096 0.000 0.801 97 E CB -0.259 29.401 29.700 -0.066 0.000 0.743 97 E HN 0.845 nan 8.360 nan 0.000 0.453 98 E N -0.365 119.819 120.200 -0.027 0.000 2.476 98 E HA 0.022 4.378 4.350 0.009 0.000 0.196 98 E C -0.207 176.446 176.600 0.087 0.000 1.029 98 E CA -0.476 55.933 56.400 0.015 0.000 0.896 98 E CB -0.168 29.542 29.700 0.017 0.000 1.012 98 E HN 0.064 nan 8.360 nan 0.000 0.475 99 F N 2.433 122.320 119.950 -0.106 0.000 2.543 99 F HA 0.167 4.700 4.527 0.009 0.000 0.375 99 F C 0.662 176.502 175.800 0.066 0.000 1.075 99 F CA 0.041 58.028 58.000 -0.023 0.000 1.225 99 F CB 0.625 39.531 39.000 -0.158 0.000 1.099 99 F HN 0.011 nan 8.300 nan 0.000 0.561 100 N N 2.563 121.133 118.700 -0.217 0.000 2.128 100 N HA -0.024 4.722 4.740 0.009 0.000 0.276 100 N C -1.031 174.334 175.510 -0.242 0.000 1.008 100 N CA -0.102 52.816 53.050 -0.221 0.000 0.762 100 N CB 0.507 38.950 38.487 -0.074 0.000 1.811 100 N HN 0.529 nan 8.380 nan 0.000 0.722 101 D N 1.748 122.101 120.400 -0.079 0.000 2.177 101 D HA 0.327 4.973 4.640 0.009 0.000 0.247 101 D C -0.611 175.751 176.300 0.103 0.000 1.063 101 D CA -0.112 53.844 54.000 -0.074 0.000 0.867 101 D CB 3.095 43.893 40.800 -0.003 0.000 1.168 101 D HN -0.142 nan 8.370 nan 0.000 0.445 102 V N 2.844 122.699 119.914 -0.099 0.000 2.487 102 V HA 0.273 4.398 4.120 0.009 0.000 0.298 102 V C -1.082 174.864 176.094 -0.246 0.000 1.028 102 V CA -0.754 61.555 62.300 0.016 0.000 0.860 102 V CB 1.066 32.892 31.823 0.004 0.000 0.991 102 V HN 0.400 nan 8.190 nan 0.000 0.427 103 Y N 4.645 124.712 120.300 -0.389 0.000 2.393 103 Y HA 0.725 5.279 4.550 0.008 0.000 0.341 103 Y C -0.078 175.487 175.900 -0.558 0.000 0.988 103 Y CA -0.856 56.893 58.100 -0.585 0.000 1.078 103 Y CB 1.807 39.566 38.460 -1.167 0.000 1.203 103 Y HN 0.422 nan 8.280 nan 0.000 0.453 104 L N 3.674 124.769 121.223 -0.214 0.000 2.346 104 L HA 0.788 5.133 4.340 0.009 0.000 0.276 104 L C -1.040 175.747 176.870 -0.137 0.000 1.006 104 L CA -1.153 53.577 54.840 -0.184 0.000 0.817 104 L CB 1.867 43.851 42.059 -0.124 0.000 1.272 104 L HN 0.287 nan 8.230 nan 0.000 0.421 105 V N 1.104 120.937 119.914 -0.135 0.000 2.487 105 V HA 0.702 4.827 4.120 0.009 0.000 0.298 105 V C -0.025 176.023 176.094 -0.076 0.000 1.028 105 V CA -0.383 61.859 62.300 -0.097 0.000 0.860 105 V CB 1.941 33.713 31.823 -0.086 0.000 0.991 105 V HN 0.947 nan 8.190 nan 0.000 0.427 106 T N 0.176 114.694 114.554 -0.060 0.000 2.841 106 T HA 0.583 4.938 4.350 0.009 0.000 0.296 106 T C -0.534 174.127 174.700 -0.065 0.000 1.166 106 T CA -0.890 61.167 62.100 -0.072 0.000 1.007 106 T CB 1.144 70.009 68.868 -0.005 0.000 1.253 106 T HN 0.589 nan 8.240 nan 0.000 0.511 107 H N 0.214 119.296 119.070 0.020 0.000 2.928 107 H HA 0.329 4.890 4.556 0.009 0.000 0.338 107 H C 0.139 175.468 175.328 0.002 0.000 1.047 107 H CA -0.434 55.608 56.048 -0.010 0.000 1.435 107 H CB 0.329 30.047 29.762 -0.073 0.000 1.428 107 H HN 0.428 nan 8.280 nan 0.000 0.590 108 L N 4.045 125.352 121.223 0.141 0.000 2.418 108 L HA 0.059 4.404 4.340 0.009 0.000 0.274 108 L C -0.651 176.259 176.870 0.066 0.000 1.135 108 L CA 0.113 55.005 54.840 0.088 0.000 0.870 108 L CB 0.075 42.185 42.059 0.086 0.000 1.154 108 L HN 0.567 nan 8.230 nan 0.000 0.462 109 M N 4.845 124.473 119.600 0.047 0.000 2.144 109 M HA 0.310 4.795 4.480 0.009 0.000 0.356 109 M C 0.957 177.265 176.300 0.013 0.000 1.217 109 M CA -0.105 55.209 55.300 0.023 0.000 1.087 109 M CB 0.497 33.105 32.600 0.015 0.000 1.609 109 M HN 0.740 nan 8.290 nan 0.000 0.467 110 G N 2.514 111.316 108.800 0.004 0.000 2.620 110 G HA2 0.404 4.370 3.960 0.009 0.000 0.200 110 G HA3 0.404 4.370 3.960 0.009 0.000 0.200 110 G C -0.038 174.858 174.900 -0.008 0.000 1.710 110 G CA 0.147 45.248 45.100 0.002 0.000 0.919 110 G HN 0.792 nan 8.290 nan 0.000 0.455 111 A N 0.608 123.419 122.820 -0.015 0.000 2.327 111 A HA 0.561 4.886 4.320 0.009 0.000 0.283 111 A C -0.146 177.416 177.584 -0.036 0.000 1.127 111 A CA -0.059 51.965 52.037 -0.023 0.000 0.810 111 A CB 0.501 19.487 19.000 -0.023 0.000 1.066 111 A HN 0.629 nan 8.150 nan 0.000 0.492 112 D N 0.856 121.231 120.400 -0.042 0.000 2.478 112 D HA 0.262 4.908 4.640 0.009 0.000 0.263 112 D C 0.776 177.037 176.300 -0.065 0.000 1.153 112 D CA -0.767 53.197 54.000 -0.060 0.000 1.038 112 D CB 0.341 41.101 40.800 -0.067 0.000 1.120 112 D HN 0.197 nan 8.370 nan 0.000 0.564 113 L N 0.346 121.518 121.223 -0.085 0.000 2.131 113 L HA -0.111 4.234 4.340 0.009 0.000 0.210 113 L C 1.541 178.374 176.870 -0.061 0.000 1.092 113 L CA 1.598 56.389 54.840 -0.082 0.000 0.759 113 L CB -0.994 40.999 42.059 -0.109 0.000 0.903 113 L HN 0.356 nan 8.230 nan 0.000 0.435 114 N N 0.248 118.913 118.700 -0.058 0.000 2.061 114 N HA -0.218 4.527 4.740 0.009 0.000 0.193 114 N C 1.528 177.027 175.510 -0.019 0.000 1.030 114 N CA 1.597 54.629 53.050 -0.030 0.000 0.856 114 N CB -0.499 37.972 38.487 -0.026 0.000 1.023 114 N HN 0.477 nan 8.380 nan 0.000 0.424 115 N N 1.166 119.851 118.700 -0.025 0.000 2.021 115 N HA -0.166 4.580 4.740 0.009 0.000 0.198 115 N C 1.874 177.371 175.510 -0.022 0.000 1.041 115 N CA 0.925 53.964 53.050 -0.019 0.000 0.862 115 N CB -0.656 37.817 38.487 -0.022 0.000 1.048 115 N HN 0.167 nan 8.380 nan 0.000 0.427 116 I N 1.165 121.714 120.570 -0.035 0.000 2.069 116 I HA -0.258 3.918 4.170 0.009 0.000 0.237 116 I C 2.402 178.501 176.117 -0.030 0.000 1.053 116 I CA 1.041 62.315 61.300 -0.044 0.000 1.311 116 I CB -0.903 37.061 38.000 -0.061 0.000 1.030 116 I HN -0.052 nan 8.210 nan 0.000 0.398 117 V N -0.492 119.410 119.914 -0.020 0.000 2.358 117 V HA -0.257 3.868 4.120 0.009 0.000 0.246 117 V C 2.340 178.441 176.094 0.011 0.000 1.047 117 V CA 1.655 63.954 62.300 -0.001 0.000 1.035 117 V CB -1.106 30.723 31.823 0.010 0.000 0.658 117 V HN 0.360 nan 8.190 nan 0.000 0.452 118 K N -0.404 120.004 120.400 0.013 0.000 2.173 118 K HA -0.231 4.094 4.320 0.009 0.000 0.207 118 K C 2.217 178.827 176.600 0.018 0.000 1.046 118 K CA 1.918 58.218 56.287 0.023 0.000 0.929 118 K CB -0.553 31.961 32.500 0.024 0.000 0.720 118 K HN 0.535 nan 8.250 nan 0.000 0.453 119 C N -0.015 119.290 119.300 0.009 0.000 2.440 119 C HA -0.004 4.462 4.460 0.009 0.000 0.278 119 C C 1.328 176.325 174.990 0.011 0.000 1.295 119 C CA 0.351 59.374 59.018 0.008 0.000 1.738 119 C CB -0.367 27.373 27.740 0.000 0.000 1.987 119 C HN 0.511 nan 8.230 nan 0.000 0.492 120 Q N -2.301 117.506 119.800 0.012 0.000 2.958 120 Q HA 0.119 4.465 4.340 0.009 0.000 0.332 120 Q C -1.482 174.531 176.000 0.021 0.000 0.782 120 Q CA -0.667 55.146 55.803 0.017 0.000 0.958 120 Q CB 0.586 29.335 28.738 0.018 0.000 1.372 120 Q HN 0.310 nan 8.270 nan 0.000 0.485 121 K N 0.762 121.179 120.400 0.028 0.000 2.168 121 K HA 0.475 4.800 4.320 0.009 0.000 0.258 121 K C -0.348 176.282 176.600 0.050 0.000 1.010 121 K CA -0.049 56.261 56.287 0.038 0.000 0.929 121 K CB 0.419 32.944 32.500 0.042 0.000 0.998 121 K HN 0.240 nan 8.250 nan 0.000 0.479 122 L N 0.447 121.712 121.223 0.070 0.000 2.304 122 L HA 0.302 4.647 4.340 0.009 0.000 0.268 122 L C 0.467 177.427 176.870 0.151 0.000 1.010 122 L CA -0.693 54.212 54.840 0.109 0.000 0.813 122 L CB 1.899 44.023 42.059 0.109 0.000 1.315 122 L HN 0.781 nan 8.230 nan 0.000 0.445 123 T N -3.311 111.384 114.554 0.235 0.000 2.898 123 T HA 0.018 4.373 4.350 0.009 0.000 0.301 123 T C 0.705 175.490 174.700 0.143 0.000 1.049 123 T CA -0.259 61.935 62.100 0.158 0.000 1.095 123 T CB 0.893 69.822 68.868 0.102 0.000 0.976 123 T HN 0.705 nan 8.240 nan 0.000 0.539 124 D N 0.827 121.290 120.400 0.105 0.000 2.149 124 D HA -0.152 4.494 4.640 0.009 0.000 0.198 124 D C 1.554 177.917 176.300 0.106 0.000 0.990 124 D CA 1.503 55.584 54.000 0.136 0.000 0.839 124 D CB -0.129 40.748 40.800 0.129 0.000 0.948 124 D HN 0.662 nan 8.370 nan 0.000 0.460 125 D N -1.151 119.265 120.400 0.026 0.000 2.144 125 D HA -0.147 4.498 4.640 0.009 0.000 0.199 125 D C 1.746 178.081 176.300 0.059 0.000 0.984 125 D CA 0.930 54.924 54.000 -0.010 0.000 0.834 125 D CB -0.283 40.449 40.800 -0.114 0.000 0.955 125 D HN 0.535 nan 8.370 nan 0.000 0.465 126 H N -0.135 119.012 119.070 0.129 0.000 2.395 126 H HA -0.039 4.523 4.556 0.010 0.000 0.299 126 H C 2.307 177.730 175.328 0.159 0.000 1.070 126 H CA 0.533 56.673 56.048 0.154 0.000 1.356 126 H CB 0.332 30.161 29.762 0.111 0.000 1.401 126 H HN -0.075 nan 8.280 nan 0.000 0.524 127 V N 0.752 120.827 119.914 0.268 0.000 2.358 127 V HA -0.260 3.866 4.120 0.009 0.000 0.246 127 V C 2.111 178.370 176.094 0.275 0.000 1.047 127 V CA 1.672 64.115 62.300 0.239 0.000 1.035 127 V CB -0.493 31.475 31.823 0.243 0.000 0.658 127 V HN 0.467 nan 8.190 nan 0.000 0.452 128 Q N -0.900 119.018 119.800 0.196 0.000 2.030 128 Q HA -0.248 4.098 4.340 0.009 0.000 0.204 128 Q C 2.223 178.369 176.000 0.243 0.000 0.986 128 Q CA 2.281 58.147 55.803 0.105 0.000 0.843 128 Q CB -0.349 28.342 28.738 -0.077 0.000 0.904 128 Q HN 0.605 nan 8.270 nan 0.000 0.420 129 F N 1.093 120.977 119.950 -0.110 0.000 2.102 129 F HA -0.173 4.359 4.527 0.009 0.000 0.298 129 F C 1.817 177.537 175.800 -0.134 0.000 1.105 129 F CA 1.261 59.016 58.000 -0.409 0.000 1.239 129 F CB -0.318 38.526 39.000 -0.260 0.000 0.991 129 F HN -0.017 nan 8.300 nan 0.000 0.474 130 L N -0.544 120.632 121.223 -0.078 0.000 2.027 130 L HA -0.238 4.107 4.340 0.009 0.000 0.206 130 L C 2.436 179.215 176.870 -0.152 0.000 1.074 130 L CA 0.693 55.422 54.840 -0.184 0.000 0.745 130 L CB -0.649 41.380 42.059 -0.050 0.000 0.898 130 L HN 0.088 nan 8.230 nan 0.000 0.433 131 I N -0.958 119.621 120.570 0.015 0.000 2.315 131 I HA -0.300 3.875 4.170 0.009 0.000 0.248 131 I C 2.497 178.499 176.117 -0.192 0.000 1.117 131 I CA 1.459 62.777 61.300 0.030 0.000 1.404 131 I CB -1.223 36.959 38.000 0.303 0.000 1.071 131 I HN 0.261 nan 8.210 nan 0.000 0.419 132 Y N 2.344 122.414 120.300 -0.384 0.000 2.114 132 Y HA -0.310 4.245 4.550 0.009 0.000 0.282 132 Y C 2.680 178.289 175.900 -0.484 0.000 1.165 132 Y CA 2.032 59.684 58.100 -0.747 0.000 1.148 132 Y CB -0.397 37.740 38.460 -0.539 0.000 0.972 132 Y HN 0.259 nan 8.280 nan 0.000 0.504 133 Q N -0.159 119.330 119.800 -0.518 0.000 2.119 133 Q HA -0.131 4.215 4.340 0.009 0.000 0.201 133 Q C 2.349 178.103 176.000 -0.410 0.000 0.972 133 Q CA 1.856 57.363 55.803 -0.493 0.000 0.847 133 Q CB -0.134 28.326 28.738 -0.463 0.000 0.903 133 Q HN 0.576 nan 8.270 nan 0.000 0.433 134 I N 0.526 120.881 120.570 -0.358 0.000 2.179 134 I HA -0.288 3.887 4.170 0.009 0.000 0.242 134 I C 2.098 178.018 176.117 -0.328 0.000 1.088 134 I CA 1.125 62.243 61.300 -0.304 0.000 1.357 134 I CB -0.238 37.614 38.000 -0.247 0.000 1.051 134 I HN 0.204 nan 8.210 nan 0.000 0.409 135 L N 0.219 121.217 121.223 -0.375 0.000 2.093 135 L HA -0.182 4.164 4.340 0.009 0.000 0.208 135 L C 2.762 179.410 176.870 -0.369 0.000 1.085 135 L CA 1.158 55.786 54.840 -0.354 0.000 0.755 135 L CB -0.534 41.295 42.059 -0.384 0.000 0.904 135 L HN 0.216 nan 8.230 nan 0.000 0.435 136 R N 0.202 120.410 120.500 -0.487 0.000 2.092 136 R HA -0.117 4.228 4.340 0.009 0.000 0.231 136 R C 2.219 178.351 176.300 -0.281 0.000 1.119 136 R CA 1.376 57.261 56.100 -0.359 0.000 0.970 136 R CB -0.342 29.686 30.300 -0.453 0.000 0.864 136 R HN 0.365 nan 8.270 nan 0.000 0.440 137 G N 0.806 109.409 108.800 -0.328 0.000 2.403 137 G HA2 -0.204 3.762 3.960 0.009 0.000 0.216 137 G HA3 -0.204 3.762 3.960 0.009 0.000 0.216 137 G C 1.237 175.937 174.900 -0.335 0.000 1.154 137 G CA 0.157 44.993 45.100 -0.440 0.000 0.784 137 G HN 0.226 nan 8.290 nan 0.000 0.538 138 L N 0.855 121.884 121.223 -0.325 0.000 2.083 138 L HA 0.085 4.431 4.340 0.009 0.000 0.209 138 L C 2.675 179.307 176.870 -0.398 0.000 1.083 138 L CA 1.930 56.516 54.840 -0.422 0.000 0.752 138 L CB -0.444 41.357 42.059 -0.429 0.000 0.899 138 L HN 0.238 nan 8.230 nan 0.000 0.433 139 K N -1.668 118.600 120.400 -0.221 0.000 2.032 139 K HA -0.284 4.042 4.320 0.009 0.000 0.209 139 K C 2.328 178.912 176.600 -0.028 0.000 1.048 139 K CA 1.976 58.217 56.287 -0.077 0.000 0.927 139 K CB -0.469 32.012 32.500 -0.032 0.000 0.712 139 K HN 0.357 nan 8.250 nan 0.000 0.441 140 Y N 1.521 121.696 120.300 -0.209 0.000 2.145 140 Y HA -0.192 4.364 4.550 0.009 0.000 0.286 140 Y C 1.886 177.744 175.900 -0.070 0.000 1.145 140 Y CA 1.787 59.789 58.100 -0.163 0.000 1.148 140 Y CB -0.207 37.993 38.460 -0.432 0.000 0.981 140 Y HN 0.020 nan 8.280 nan 0.000 0.507 141 I N -0.367 120.242 120.570 0.065 0.000 2.163 141 I HA -0.388 3.787 4.170 0.009 0.000 0.243 141 I C 2.224 178.408 176.117 0.111 0.000 1.085 141 I CA 2.015 63.378 61.300 0.105 0.000 1.347 141 I CB -0.646 37.446 38.000 0.155 0.000 1.044 141 I HN 0.369 nan 8.210 nan 0.000 0.408 142 H N -0.134 118.952 119.070 0.026 0.000 2.423 142 H HA -0.111 4.450 4.556 0.009 0.000 0.297 142 H C 2.528 177.855 175.328 -0.002 0.000 1.075 142 H CA 1.121 57.185 56.048 0.027 0.000 1.342 142 H CB 0.080 29.863 29.762 0.035 0.000 1.395 142 H HN 0.385 nan 8.280 nan 0.000 0.530 143 S N 0.777 116.523 115.700 0.076 0.000 2.419 143 S HA -0.096 4.380 4.470 0.009 0.000 0.233 143 S C 2.056 176.650 174.600 -0.010 0.000 1.016 143 S CA 0.742 58.949 58.200 0.012 0.000 0.974 143 S CB -0.073 63.101 63.200 -0.043 0.000 0.786 143 S HN 0.406 nan 8.310 nan 0.000 0.492 144 A N 0.772 123.569 122.820 -0.039 0.000 2.278 144 A HA 0.301 4.627 4.320 0.009 0.000 0.212 144 A C 0.420 178.045 177.584 0.068 0.000 1.213 144 A CA 0.306 52.340 52.037 -0.005 0.000 0.840 144 A CB -0.412 18.537 19.000 -0.086 0.000 0.866 144 A HN 0.360 nan 8.150 nan 0.000 0.489 145 D N -1.092 119.353 120.400 0.075 0.000 2.907 145 D HA -0.141 4.505 4.640 0.009 0.000 0.226 145 D C -0.311 176.058 176.300 0.114 0.000 1.141 145 D CA 1.044 55.093 54.000 0.082 0.000 0.779 145 D CB -1.578 39.260 40.800 0.064 0.000 1.095 145 D HN 0.571 nan 8.370 nan 0.000 0.430 146 I N 0.511 121.166 120.570 0.141 0.000 2.441 146 I HA 0.397 4.573 4.170 0.009 0.000 0.295 146 I C 0.669 176.947 176.117 0.269 0.000 0.994 146 I CA -0.851 60.551 61.300 0.170 0.000 1.144 146 I CB 1.675 39.734 38.000 0.098 0.000 1.314 146 I HN -0.164 nan 8.210 nan 0.000 0.445 147 I N 5.080 125.794 120.570 0.241 0.000 2.362 147 I HA 0.182 4.357 4.170 0.009 0.000 0.289 147 I C 1.170 177.452 176.117 0.274 0.000 0.994 147 I CA -0.527 60.935 61.300 0.270 0.000 1.158 147 I CB 1.451 39.586 38.000 0.225 0.000 1.315 147 I HN 0.691 nan 8.210 nan 0.000 0.451 148 H N 7.302 126.489 119.070 0.195 0.000 2.270 148 H HA -0.087 4.474 4.556 0.009 0.000 0.299 148 H C 1.046 176.396 175.328 0.037 0.000 1.077 148 H CA 2.262 58.346 56.048 0.061 0.000 1.294 148 H CB 0.427 30.096 29.762 -0.154 0.000 1.371 148 H HN 0.624 nan 8.280 nan 0.000 0.491 149 R N -0.894 119.721 120.500 0.192 0.000 3.785 149 R HA -0.195 4.151 4.340 0.009 0.000 0.476 149 R C -0.344 176.008 176.300 0.086 0.000 0.905 149 R CA 1.270 57.407 56.100 0.061 0.000 1.412 149 R CB -1.544 28.758 30.300 0.004 0.000 2.077 149 R HN 0.369 nan 8.270 nan 0.000 0.504 150 D N 0.261 120.839 120.400 0.298 0.000 3.078 150 D HA 0.258 4.904 4.640 0.009 0.000 0.363 150 D C -0.711 175.643 176.300 0.090 0.000 1.391 150 D CA -0.191 53.911 54.000 0.172 0.000 0.754 150 D CB 0.403 41.256 40.800 0.088 0.000 1.238 150 D HN 0.092 nan 8.370 nan 0.000 0.500 151 L N 1.936 123.098 121.223 -0.103 0.000 2.360 151 L HA 0.375 4.721 4.340 0.009 0.000 0.276 151 L C 0.368 177.069 176.870 -0.282 0.000 1.121 151 L CA 0.319 54.934 54.840 -0.375 0.000 0.845 151 L CB 0.516 42.352 42.059 -0.373 0.000 1.143 151 L HN 0.145 nan 8.230 nan 0.000 0.452 152 K N 2.069 122.231 120.400 -0.398 0.000 2.642 152 K HA 0.380 4.705 4.320 0.009 0.000 0.290 152 K C -2.808 173.487 176.600 -0.509 0.000 1.006 152 K CA -1.530 54.354 56.287 -0.672 0.000 0.869 152 K CB 1.108 33.240 32.500 -0.612 0.000 1.499 152 K HN -0.082 nan 8.250 nan 0.000 0.403 153 P HA -0.274 nan 4.420 nan 0.000 0.217 153 P C 1.203 178.378 177.300 -0.209 0.000 1.151 153 P CA 2.161 65.084 63.100 -0.295 0.000 0.849 153 P CB 0.066 31.635 31.700 -0.218 0.000 0.787 154 S N -1.951 113.628 115.700 -0.201 0.000 2.481 154 S HA -0.074 4.401 4.470 0.009 0.000 0.231 154 S C 1.390 175.909 174.600 -0.134 0.000 0.996 154 S CA 0.910 59.026 58.200 -0.140 0.000 0.942 154 S CB -1.246 61.881 63.200 -0.121 0.000 0.768 154 S HN 0.262 nan 8.310 nan 0.000 0.520 155 N N 0.648 119.247 118.700 -0.169 0.000 2.276 155 N HA 0.354 5.099 4.740 0.009 0.000 0.212 155 N C -1.096 174.308 175.510 -0.176 0.000 1.127 155 N CA -0.082 52.880 53.050 -0.148 0.000 0.834 155 N CB 0.245 38.649 38.487 -0.138 0.000 1.014 155 N HN 0.351 nan 8.380 nan 0.000 0.491 156 L N 1.038 122.159 121.223 -0.170 0.000 2.372 156 L HA 0.584 4.929 4.340 0.009 0.000 0.274 156 L C -0.556 176.241 176.870 -0.121 0.000 0.988 156 L CA -0.855 53.885 54.840 -0.167 0.000 0.833 156 L CB 1.776 43.718 42.059 -0.194 0.000 1.236 156 L HN -0.079 nan 8.230 nan 0.000 0.410 157 A N 3.969 126.729 122.820 -0.099 0.000 2.301 157 A HA 0.785 5.111 4.320 0.009 0.000 0.298 157 A C -0.432 177.103 177.584 -0.081 0.000 1.185 157 A CA -0.384 51.609 52.037 -0.073 0.000 0.830 157 A CB 0.945 19.916 19.000 -0.049 0.000 1.112 157 A HN 0.423 nan 8.150 nan 0.000 0.508 158 V N 3.728 123.601 119.914 -0.069 0.000 2.656 158 V HA 0.370 4.496 4.120 0.009 0.000 0.307 158 V C -0.222 175.847 176.094 -0.042 0.000 1.051 158 V CA -0.930 61.331 62.300 -0.065 0.000 0.893 158 V CB 1.812 33.593 31.823 -0.069 0.000 0.999 158 V HN 1.108 nan 8.190 nan 0.000 0.426 159 N N 2.641 121.324 118.700 -0.029 0.000 2.566 159 N HA 0.292 5.037 4.740 0.009 0.000 0.299 159 N C 0.696 176.208 175.510 0.003 0.000 1.277 159 N CA -0.580 52.462 53.050 -0.014 0.000 0.965 159 N CB 0.487 38.965 38.487 -0.015 0.000 1.142 159 N HN 0.514 nan 8.380 nan 0.000 0.596 160 E N -0.624 119.581 120.200 0.009 0.000 2.077 160 E HA -0.130 4.225 4.350 0.009 0.000 0.193 160 E C 0.240 176.864 176.600 0.040 0.000 0.989 160 E CA 1.646 58.056 56.400 0.017 0.000 0.800 160 E CB -0.506 29.204 29.700 0.017 0.000 0.746 160 E HN 0.657 nan 8.360 nan 0.000 0.452 161 D N -0.812 119.622 120.400 0.058 0.000 2.352 161 D HA 0.064 4.710 4.640 0.009 0.000 0.232 161 D C -0.285 176.129 176.300 0.190 0.000 1.055 161 D CA 0.261 54.322 54.000 0.101 0.000 0.891 161 D CB -0.066 40.789 40.800 0.092 0.000 0.897 161 D HN 0.161 nan 8.370 nan 0.000 0.529 162 C N 0.911 120.297 119.300 0.144 0.000 4.417 162 C HA -0.184 4.282 4.460 0.009 0.000 0.284 162 C C 0.263 175.333 174.990 0.133 0.000 1.379 162 C CA -0.103 59.021 59.018 0.177 0.000 1.918 162 C CB -2.177 25.782 27.740 0.365 0.000 1.280 162 C HN 0.390 nan 8.230 nan 0.000 0.783 163 E N -0.082 120.169 120.200 0.085 0.000 2.283 163 E HA 0.539 4.895 4.350 0.009 0.000 0.278 163 E C -0.067 176.469 176.600 -0.105 0.000 1.027 163 E CA -0.158 56.233 56.400 -0.016 0.000 0.843 163 E CB 1.335 31.059 29.700 0.040 0.000 1.062 163 E HN 0.611 nan 8.360 nan 0.000 0.401 164 L N 2.324 123.437 121.223 -0.185 0.000 2.354 164 L HA 0.512 4.857 4.340 0.009 0.000 0.269 164 L C -1.184 175.601 176.870 -0.141 0.000 1.005 164 L CA -0.654 54.084 54.840 -0.170 0.000 0.819 164 L CB 1.279 43.203 42.059 -0.225 0.000 1.311 164 L HN 0.374 nan 8.230 nan 0.000 0.423 165 K N 5.280 125.612 120.400 -0.115 0.000 2.443 165 K HA 0.507 4.833 4.320 0.009 0.000 0.252 165 K C -1.227 175.312 176.600 -0.103 0.000 0.933 165 K CA -0.668 55.568 56.287 -0.085 0.000 0.792 165 K CB 2.479 34.954 32.500 -0.042 0.000 1.185 165 K HN 0.548 nan 8.250 nan 0.000 0.425 166 I N 4.428 124.929 120.570 -0.114 0.000 2.441 166 I HA 0.109 4.284 4.170 0.009 0.000 0.287 166 I C -0.345 175.715 176.117 -0.095 0.000 1.049 166 I CA -0.453 60.736 61.300 -0.185 0.000 1.381 166 I CB 0.352 38.184 38.000 -0.280 0.000 1.409 166 I HN 0.219 nan 8.210 nan 0.000 0.523 167 L N 4.073 125.243 121.223 -0.089 0.000 2.211 167 L HA 0.440 4.786 4.340 0.009 0.000 0.259 167 L C -0.122 176.796 176.870 0.079 0.000 1.031 167 L CA -0.802 54.056 54.840 0.029 0.000 0.877 167 L CB 0.304 42.368 42.059 0.009 0.000 1.457 167 L HN 0.476 nan 8.230 nan 0.000 0.466 168 D N 0.851 121.316 120.400 0.108 0.000 2.894 168 D HA -0.245 4.401 4.640 0.009 0.000 0.216 168 D C -0.479 175.806 176.300 -0.024 0.000 1.245 168 D CA 0.762 54.807 54.000 0.075 0.000 0.728 168 D CB -0.976 39.832 40.800 0.013 0.000 0.924 168 D HN 0.130 nan 8.370 nan 0.000 0.395 169 F N 0.223 120.025 119.950 -0.246 0.000 2.595 169 F HA 0.227 4.760 4.527 0.009 0.000 0.359 169 F C 2.127 177.663 175.800 -0.439 0.000 1.147 169 F CA 0.536 58.130 58.000 -0.676 0.000 1.341 169 F CB 0.604 39.386 39.000 -0.362 0.000 1.104 169 F HN 0.157 nan 8.300 nan 0.000 0.603 170 G N 4.332 112.927 108.800 -0.343 0.000 3.374 170 G HA2 0.213 4.178 3.960 0.009 0.000 0.252 170 G HA3 0.213 4.178 3.960 0.009 0.000 0.252 170 G C 0.054 174.919 174.900 -0.058 0.000 1.326 170 G CA -0.284 44.739 45.100 -0.129 0.000 1.133 170 G HN 0.398 nan 8.290 nan 0.000 0.528 171 L N 0.190 121.404 121.223 -0.015 0.000 2.265 171 L HA 0.477 4.822 4.340 0.009 0.000 0.288 171 L C 1.119 177.978 176.870 -0.019 0.000 1.058 171 L CA 0.360 55.202 54.840 0.002 0.000 0.809 171 L CB 1.408 43.489 42.059 0.035 0.000 1.179 171 L HN 0.325 nan 8.230 nan 0.000 0.429 172 A N 3.350 126.145 122.820 -0.041 0.000 2.422 172 A HA -0.194 4.131 4.320 0.009 0.000 0.209 172 A C 0.892 178.402 177.584 -0.123 0.000 0.647 172 A CA -0.112 51.894 52.037 -0.051 0.000 1.510 172 A CB -0.801 18.178 19.000 -0.035 0.000 1.250 172 A HN 0.651 nan 8.150 nan 0.000 0.680 173 R N 1.551 121.978 120.500 -0.122 0.000 2.459 173 R HA 0.317 4.663 4.340 0.009 0.000 0.301 173 R C -0.623 175.561 176.300 -0.194 0.000 1.286 173 R CA -0.089 55.928 56.100 -0.139 0.000 1.046 173 R CB -0.472 29.790 30.300 -0.063 0.000 1.071 173 R HN 0.660 nan 8.270 nan 0.000 0.512 174 H N 0.830 119.886 119.070 -0.024 0.000 3.107 174 H HA -0.048 4.514 4.556 0.009 0.000 0.301 174 H C 0.494 175.811 175.328 -0.019 0.000 0.981 174 H CA 0.859 56.897 56.048 -0.016 0.000 1.443 174 H CB 0.491 30.238 29.762 -0.024 0.000 1.479 174 H HN 0.396 nan 8.280 nan 0.000 0.564 175 T N 0.942 115.521 114.554 0.042 0.000 3.145 175 T HA 0.209 4.565 4.350 0.009 0.000 0.362 175 T C -0.422 174.301 174.700 0.038 0.000 1.340 175 T CA -1.203 60.911 62.100 0.024 0.000 1.069 175 T CB 0.086 68.945 68.868 -0.016 0.000 1.129 175 T HN 0.357 nan 8.240 nan 0.000 0.585 176 D N 3.388 123.815 120.400 0.044 0.000 2.280 176 D HA 0.353 4.998 4.640 0.009 0.000 0.236 176 D C 0.252 176.565 176.300 0.021 0.000 1.082 176 D CA -0.034 53.987 54.000 0.035 0.000 0.834 176 D CB 1.235 42.054 40.800 0.031 0.000 1.100 176 D HN 0.521 nan 8.370 nan 0.000 0.486 177 D N 1.109 121.522 120.400 0.023 0.000 3.028 177 D HA -0.199 4.446 4.640 0.009 0.000 0.207 177 D C 0.821 177.124 176.300 0.006 0.000 1.100 177 D CA 1.175 55.186 54.000 0.018 0.000 0.995 177 D CB -0.825 39.982 40.800 0.011 0.000 1.108 177 D HN 0.728 nan 8.370 nan 0.000 0.421 178 E N -0.627 119.572 120.200 -0.002 0.000 2.452 178 E HA 0.095 4.451 4.350 0.009 0.000 0.197 178 E C 1.433 178.000 176.600 -0.055 0.000 1.022 178 E CA 0.127 56.508 56.400 -0.033 0.000 0.890 178 E CB 0.088 29.765 29.700 -0.039 0.000 0.918 178 E HN 0.228 nan 8.360 nan 0.000 0.496 179 M N 1.350 120.938 119.600 -0.019 0.000 2.383 179 M HA 0.172 4.657 4.480 0.009 0.000 0.247 179 M C 0.131 176.445 176.300 0.022 0.000 1.117 179 M CA 0.410 55.686 55.300 -0.040 0.000 0.995 179 M CB 0.308 32.912 32.600 0.007 0.000 1.480 179 M HN -0.154 nan 8.290 nan 0.000 0.485 180 T N 1.301 115.886 114.554 0.052 0.000 2.856 180 T HA 0.570 4.926 4.350 0.009 0.000 0.292 180 T C 0.924 175.660 174.700 0.060 0.000 0.980 180 T CA 0.579 62.735 62.100 0.095 0.000 1.091 180 T CB 1.459 70.368 68.868 0.068 0.000 0.936 180 T HN 0.645 nan 8.240 nan 0.000 0.503 181 G N 1.818 110.684 108.800 0.110 0.000 2.542 181 G HA2 -0.255 3.711 3.960 0.009 0.000 0.235 181 G HA3 -0.255 3.711 3.960 0.009 0.000 0.235 181 G C -0.600 174.415 174.900 0.192 0.000 1.286 181 G CA -0.428 44.756 45.100 0.140 0.000 0.904 181 G HN 0.779 nan 8.290 nan 0.000 0.577 182 Y N 1.801 122.168 120.300 0.112 0.000 2.570 182 Y HA 0.468 5.024 4.550 0.009 0.000 0.336 182 Y C 0.911 176.841 175.900 0.049 0.000 1.284 182 Y CA -0.123 58.121 58.100 0.240 0.000 1.761 182 Y CB -0.264 38.340 38.460 0.240 0.000 1.724 182 Y HN 1.007 nan 8.280 nan 0.000 0.455 183 V N 1.247 120.906 119.914 -0.425 0.000 2.588 183 V HA 0.737 4.863 4.120 0.009 0.000 0.304 183 V C 0.781 175.894 176.094 -1.635 0.000 1.042 183 V CA -0.365 61.454 62.300 -0.802 0.000 0.877 183 V CB 1.010 32.593 31.823 -0.399 0.000 0.996 183 V HN 0.519 nan 8.190 nan 0.000 0.425 184 A N 3.205 125.045 122.820 -1.633 0.000 1.948 184 A HA -0.119 4.207 4.320 0.009 0.000 0.220 184 A C 1.994 179.250 177.584 -0.546 0.000 1.177 184 A CA 2.779 54.006 52.037 -1.351 0.000 0.636 184 A CB -1.053 17.609 19.000 -0.563 0.000 0.815 184 A HN 1.075 nan 8.150 nan 0.000 0.449 185 T N -0.873 113.441 114.554 -0.400 0.000 2.720 185 T HA -0.165 4.190 4.350 0.009 0.000 0.268 185 T C 1.997 176.632 174.700 -0.109 0.000 1.037 185 T CA 1.480 63.484 62.100 -0.161 0.000 1.144 185 T CB -0.208 68.566 68.868 -0.156 0.000 0.864 185 T HN 0.529 nan 8.240 nan 0.000 0.444 186 R N -0.647 119.696 120.500 -0.262 0.000 2.236 186 R HA -0.033 4.313 4.340 0.009 0.000 0.208 186 R C 1.810 178.105 176.300 -0.009 0.000 1.036 186 R CA 0.511 56.505 56.100 -0.176 0.000 1.001 186 R CB -0.055 30.076 30.300 -0.283 0.000 0.896 186 R HN 0.423 nan 8.270 nan 0.000 0.464 187 W N -0.205 121.001 121.300 -0.157 0.000 2.421 187 W HA -0.135 4.531 4.660 0.010 0.000 0.270 187 W C 0.880 177.191 176.519 -0.347 0.000 1.233 187 W CA 0.609 57.772 57.345 -0.304 0.000 1.226 187 W CB -0.699 28.439 29.460 -0.537 0.000 1.121 187 W HN 0.161 nan 8.180 nan 0.000 0.579 188 Y N 0.006 120.469 120.300 0.271 0.000 2.485 188 Y HA 0.214 4.769 4.550 0.009 0.000 0.260 188 Y C 1.103 177.162 175.900 0.264 0.000 1.173 188 Y CA -0.272 57.979 58.100 0.251 0.000 1.252 188 Y CB -0.298 38.238 38.460 0.126 0.000 1.123 188 Y HN -0.404 nan 8.280 nan 0.000 0.524 189 R N 1.362 122.003 120.500 0.235 0.000 2.357 189 R HA 0.513 4.859 4.340 0.009 0.000 0.296 189 R C 0.238 176.450 176.300 -0.146 0.000 1.052 189 R CA -0.332 55.797 56.100 0.049 0.000 0.988 189 R CB 0.692 30.940 30.300 -0.087 0.000 1.025 189 R HN 0.139 nan 8.270 nan 0.000 0.469 190 A N 5.290 127.899 122.820 -0.351 0.000 2.498 190 A HA 0.180 4.506 4.320 0.009 0.000 0.239 190 A C -1.045 176.072 177.584 -0.777 0.000 1.068 190 A CA -1.058 50.412 52.037 -0.946 0.000 0.766 190 A CB 0.020 18.692 19.000 -0.548 0.000 1.003 190 A HN 0.511 nan 8.150 nan 0.000 0.497 191 P HA -0.242 nan 4.420 nan 0.000 0.216 191 P C 1.031 177.711 177.300 -1.033 0.000 1.150 191 P CA 1.723 64.287 63.100 -0.894 0.000 0.837 191 P CB 0.077 31.262 31.700 -0.858 0.000 0.786 192 E N 0.259 120.055 120.200 -0.674 0.000 2.208 192 E HA -0.130 4.226 4.350 0.009 0.000 0.193 192 E C 2.159 178.599 176.600 -0.266 0.000 0.988 192 E CA 0.705 56.896 56.400 -0.348 0.000 0.828 192 E CB -1.062 28.686 29.700 0.079 0.000 0.763 192 E HN 0.328 nan 8.360 nan 0.000 0.478 193 I N -0.210 120.172 120.570 -0.313 0.000 2.703 193 I HA -0.028 4.147 4.170 0.009 0.000 0.259 193 I C 2.621 178.595 176.117 -0.238 0.000 1.151 193 I CA 0.269 61.419 61.300 -0.249 0.000 1.470 193 I CB 0.043 37.768 38.000 -0.457 0.000 1.112 193 I HN 0.039 nan 8.210 nan 0.000 0.437 194 M N 0.007 119.410 119.600 -0.327 0.000 2.175 194 M HA -0.154 4.332 4.480 0.009 0.000 0.264 194 M C 0.864 177.066 176.300 -0.163 0.000 1.063 194 M CA 1.631 56.787 55.300 -0.240 0.000 1.119 194 M CB 0.218 32.633 32.600 -0.309 0.000 1.377 194 M HN 0.193 nan 8.290 nan 0.000 0.415 195 L N 0.376 121.364 121.223 -0.392 0.000 2.857 195 L HA 0.227 4.573 4.340 0.009 0.000 0.249 195 L C 0.452 177.210 176.870 -0.186 0.000 1.172 195 L CA 0.468 55.109 54.840 -0.331 0.000 0.980 195 L CB -1.331 40.378 42.059 -0.584 0.000 1.299 195 L HN 0.474 nan 8.230 nan 0.000 0.535 196 N N -0.487 118.131 118.700 -0.136 0.000 2.705 196 N HA -0.265 4.480 4.740 0.009 0.000 0.255 196 N C 0.587 176.177 175.510 0.133 0.000 1.008 196 N CA 0.088 53.144 53.050 0.010 0.000 0.742 196 N CB -0.259 38.242 38.487 0.024 0.000 0.906 196 N HN 0.296 nan 8.380 nan 0.000 0.541 197 W N 0.076 121.364 121.300 -0.020 0.000 2.436 197 W HA 0.102 4.768 4.660 0.010 0.000 0.284 197 W C 1.429 177.915 176.519 -0.054 0.000 1.225 197 W CA 1.096 58.423 57.345 -0.031 0.000 1.271 197 W CB -0.331 29.113 29.460 -0.027 0.000 1.114 197 W HN 0.437 nan 8.180 nan 0.000 0.559 198 M N -2.731 116.973 119.600 0.173 0.000 2.895 198 M HA 0.293 4.779 4.480 0.009 0.000 0.271 198 M C -0.995 175.292 176.300 -0.021 0.000 1.174 198 M CA -0.843 54.471 55.300 0.024 0.000 0.816 198 M CB 1.758 34.416 32.600 0.097 0.000 1.647 198 M HN -0.314 nan 8.290 nan 0.000 0.506 199 H N 2.488 121.573 119.070 0.026 0.000 3.017 199 H HA 0.258 4.820 4.556 0.009 0.000 0.276 199 H C -1.000 174.282 175.328 -0.076 0.000 1.062 199 H CA 0.481 56.466 56.048 -0.104 0.000 1.486 199 H CB -0.334 29.360 29.762 -0.113 0.000 1.507 199 H HN 0.592 nan 8.280 nan 0.000 0.508 200 Y N 1.566 121.935 120.300 0.114 0.000 2.240 200 Y HA 0.210 4.766 4.550 0.009 0.000 0.341 200 Y C 0.597 176.526 175.900 0.048 0.000 1.326 200 Y CA -1.033 57.105 58.100 0.064 0.000 1.569 200 Y CB 0.513 38.990 38.460 0.029 0.000 1.426 200 Y HN 0.514 nan 8.280 nan 0.000 0.587 201 N N -0.557 118.334 118.700 0.318 0.000 2.457 201 N HA 0.125 4.870 4.740 0.009 0.000 0.290 201 N C 0.125 175.724 175.510 0.148 0.000 1.232 201 N CA -0.694 52.456 53.050 0.165 0.000 0.852 201 N CB 1.660 40.211 38.487 0.107 0.000 1.313 201 N HN 0.865 nan 8.380 nan 0.000 0.522 202 Q N -0.544 119.249 119.800 -0.012 0.000 2.291 202 Q HA -0.100 4.246 4.340 0.009 0.000 0.206 202 Q C 1.479 177.399 176.000 -0.132 0.000 0.976 202 Q CA 1.740 57.413 55.803 -0.216 0.000 0.875 202 Q CB -0.187 28.189 28.738 -0.604 0.000 0.927 202 Q HN 0.764 nan 8.270 nan 0.000 0.450 203 T N -1.845 112.708 114.554 -0.002 0.000 3.155 203 T HA -0.041 4.314 4.350 0.009 0.000 0.264 203 T C 1.871 176.661 174.700 0.150 0.000 1.160 203 T CA 0.829 62.986 62.100 0.096 0.000 1.075 203 T CB -0.520 68.416 68.868 0.115 0.000 0.921 203 T HN 0.240 nan 8.240 nan 0.000 0.533 204 V N -0.361 119.616 119.914 0.105 0.000 2.490 204 V HA -0.107 4.018 4.120 0.009 0.000 0.250 204 V C 2.092 178.276 176.094 0.149 0.000 1.061 204 V CA 1.769 64.112 62.300 0.071 0.000 1.064 204 V CB -0.738 31.013 31.823 -0.120 0.000 0.670 204 V HN 0.245 nan 8.190 nan 0.000 0.461 205 D N 0.601 121.099 120.400 0.165 0.000 2.144 205 D HA -0.031 4.614 4.640 0.009 0.000 0.200 205 D C 2.183 178.586 176.300 0.172 0.000 0.978 205 D CA 1.258 55.367 54.000 0.182 0.000 0.833 205 D CB -0.068 40.910 40.800 0.296 0.000 0.961 205 D HN 0.409 nan 8.370 nan 0.000 0.470 206 I N 0.360 121.054 120.570 0.207 0.000 2.315 206 I HA -0.202 3.973 4.170 0.009 0.000 0.248 206 I C 2.355 178.574 176.117 0.170 0.000 1.117 206 I CA 0.638 62.035 61.300 0.162 0.000 1.404 206 I CB -0.955 37.143 38.000 0.163 0.000 1.071 206 I HN 0.273 nan 8.210 nan 0.000 0.419 207 W N 2.295 123.640 121.300 0.076 0.000 2.335 207 W HA -0.232 4.434 4.660 0.009 0.000 0.311 207 W C 2.543 179.129 176.519 0.111 0.000 1.213 207 W CA 1.897 59.301 57.345 0.097 0.000 1.274 207 W CB -0.382 29.127 29.460 0.081 0.000 1.148 207 W HN 0.098 nan 8.180 nan 0.000 0.498 208 S N 0.960 116.863 115.700 0.338 0.000 2.365 208 S HA -0.218 4.257 4.470 0.009 0.000 0.225 208 S C 1.863 176.518 174.600 0.091 0.000 1.039 208 S CA 1.932 60.280 58.200 0.247 0.000 1.033 208 S CB -0.906 62.397 63.200 0.170 0.000 0.887 208 S HN 0.149 nan 8.310 nan 0.000 0.447 209 V N 1.755 121.684 119.914 0.025 0.000 2.343 209 V HA -0.163 3.963 4.120 0.009 0.000 0.247 209 V C 2.643 178.703 176.094 -0.055 0.000 1.051 209 V CA 1.918 64.199 62.300 -0.031 0.000 1.036 209 V CB -1.578 30.224 31.823 -0.036 0.000 0.654 209 V HN 0.600 nan 8.190 nan 0.000 0.451 210 G N -1.189 107.550 108.800 -0.103 0.000 2.418 210 G HA2 -0.268 3.698 3.960 0.009 0.000 0.217 210 G HA3 -0.268 3.698 3.960 0.009 0.000 0.217 210 G C 1.730 176.505 174.900 -0.208 0.000 1.158 210 G CA 1.317 46.303 45.100 -0.191 0.000 0.771 210 G HN 0.539 nan 8.290 nan 0.000 0.545 211 C N 0.302 119.500 119.300 -0.170 0.000 2.429 211 C HA 0.047 4.512 4.460 0.009 0.000 0.277 211 C C 2.845 177.863 174.990 0.047 0.000 1.262 211 C CA 0.491 59.460 59.018 -0.082 0.000 1.733 211 C CB -0.963 26.843 27.740 0.111 0.000 2.010 211 C HN 0.475 nan 8.230 nan 0.000 0.483 212 I N 0.265 120.894 120.570 0.099 0.000 2.202 212 I HA -0.273 3.903 4.170 0.009 0.000 0.242 212 I C 2.674 178.786 176.117 -0.008 0.000 1.091 212 I CA 1.665 63.002 61.300 0.062 0.000 1.368 212 I CB -0.486 37.490 38.000 -0.041 0.000 1.058 212 I HN 0.357 nan 8.210 nan 0.000 0.410 213 M N 0.748 120.316 119.600 -0.053 0.000 2.080 213 M HA -0.247 4.239 4.480 0.009 0.000 0.260 213 M C 2.453 178.669 176.300 -0.140 0.000 1.068 213 M CA 2.256 57.510 55.300 -0.077 0.000 1.109 213 M CB -0.149 32.391 32.600 -0.101 0.000 1.342 213 M HN 0.294 nan 8.290 nan 0.000 0.405 214 A N -0.047 122.647 122.820 -0.211 0.000 1.883 214 A HA -0.274 4.051 4.320 0.009 0.000 0.217 214 A C 1.934 179.476 177.584 -0.069 0.000 1.186 214 A CA 2.217 54.106 52.037 -0.247 0.000 0.624 214 A CB -1.016 17.860 19.000 -0.207 0.000 0.822 214 A HN 0.718 nan 8.150 nan 0.000 0.444 215 E N -0.276 119.899 120.200 -0.040 0.000 2.110 215 E HA -0.143 4.213 4.350 0.009 0.000 0.193 215 E C 1.894 178.502 176.600 0.014 0.000 0.988 215 E CA 1.004 57.406 56.400 0.003 0.000 0.804 215 E CB -0.201 29.536 29.700 0.061 0.000 0.745 215 E HN 0.649 nan 8.360 nan 0.000 0.458 216 L N 0.375 121.603 121.223 0.008 0.000 2.141 216 L HA -0.159 4.186 4.340 0.009 0.000 0.209 216 L C 2.381 179.270 176.870 0.031 0.000 1.094 216 L CA 0.616 55.469 54.840 0.022 0.000 0.763 216 L CB -0.235 41.841 42.059 0.029 0.000 0.908 216 L HN 0.248 nan 8.230 nan 0.000 0.437 217 L N -0.736 120.494 121.223 0.012 0.000 2.095 217 L HA -0.104 4.242 4.340 0.009 0.000 0.204 217 L C 2.597 179.499 176.870 0.052 0.000 1.080 217 L CA 1.715 56.570 54.840 0.026 0.000 0.759 217 L CB -0.476 41.564 42.059 -0.033 0.000 0.914 217 L HN 0.385 nan 8.230 nan 0.000 0.439 218 T N -4.717 109.872 114.554 0.057 0.000 3.014 218 T HA 0.225 4.581 4.350 0.009 0.000 0.250 218 T C 1.468 176.181 174.700 0.022 0.000 1.060 218 T CA 0.484 62.614 62.100 0.051 0.000 1.040 218 T CB 0.700 69.603 68.868 0.058 0.000 0.971 218 T HN 0.390 nan 8.240 nan 0.000 0.497 219 G N 1.919 110.731 108.800 0.020 0.000 2.148 219 G HA2 -0.209 3.757 3.960 0.009 0.000 0.254 219 G HA3 -0.209 3.757 3.960 0.009 0.000 0.254 219 G C 0.019 174.921 174.900 0.004 0.000 0.981 219 G CA -0.033 45.076 45.100 0.016 0.000 0.670 219 G HN 0.668 nan 8.290 nan 0.000 0.528 220 R N -0.079 120.411 120.500 -0.015 0.000 2.807 220 R HA 0.578 4.923 4.340 0.009 0.000 0.276 220 R C 0.033 176.281 176.300 -0.086 0.000 0.979 220 R CA -0.466 55.603 56.100 -0.051 0.000 0.928 220 R CB 0.658 30.911 30.300 -0.078 0.000 1.191 220 R HN 0.137 nan 8.270 nan 0.000 0.471 221 T N 2.417 116.888 114.554 -0.139 0.000 2.928 221 T HA 0.002 4.357 4.350 0.009 0.000 0.305 221 T C 1.536 176.034 174.700 -0.336 0.000 1.035 221 T CA -0.213 61.744 62.100 -0.239 0.000 1.145 221 T CB 0.587 69.180 68.868 -0.458 0.000 0.963 221 T HN 0.348 nan 8.240 nan 0.000 0.545 222 L N 2.280 123.253 121.223 -0.416 0.000 2.044 222 L HA 0.254 4.600 4.340 0.009 0.000 0.205 222 L C 0.278 176.682 176.870 -0.777 0.000 1.075 222 L CA 1.730 56.174 54.840 -0.660 0.000 0.747 222 L CB -0.172 41.357 42.059 -0.882 0.000 0.903 222 L HN 0.625 nan 8.230 nan 0.000 0.435 223 F N 1.186 120.972 119.950 -0.273 0.000 2.523 223 F HA 0.403 4.935 4.527 0.009 0.000 0.322 223 F C -2.073 173.405 175.800 -0.537 0.000 1.361 223 F CA -2.684 55.162 58.000 -0.258 0.000 1.151 223 F CB 0.090 39.046 39.000 -0.074 0.000 1.391 223 F HN 0.034 nan 8.300 nan 0.000 0.566 224 P HA 0.118 nan 4.420 nan 0.000 0.226 224 P C 0.644 177.669 177.300 -0.457 0.000 1.783 224 P CA 0.276 62.540 63.100 -1.393 0.000 0.980 224 P CB 0.219 31.244 31.700 -1.125 0.000 1.967 225 G N 1.304 110.016 108.800 -0.146 0.000 2.491 225 G HA2 0.166 4.132 3.960 0.009 0.000 0.242 225 G HA3 0.166 4.132 3.960 0.009 0.000 0.242 225 G C 1.213 176.369 174.900 0.427 0.000 1.266 225 G CA -0.144 45.058 45.100 0.171 0.000 0.844 225 G HN 0.326 nan 8.290 nan 0.000 0.571 226 T N -1.692 113.073 114.554 0.353 0.000 3.088 226 T HA 0.164 4.519 4.350 0.009 0.000 0.259 226 T C 0.404 175.267 174.700 0.272 0.000 1.122 226 T CA 0.907 63.238 62.100 0.384 0.000 1.095 226 T CB -0.300 68.680 68.868 0.186 0.000 0.930 226 T HN 0.770 nan 8.240 nan 0.000 0.508 227 D N -2.160 118.369 120.400 0.215 0.000 2.725 227 D HA 0.185 4.831 4.640 0.009 0.000 0.292 227 D C 0.409 176.809 176.300 0.168 0.000 1.288 227 D CA -0.914 53.200 54.000 0.190 0.000 0.784 227 D CB 0.106 41.004 40.800 0.164 0.000 1.308 227 D HN -0.023 nan 8.370 nan 0.000 0.429 228 H N -0.427 118.660 119.070 0.029 0.000 2.353 228 H HA -0.114 4.447 4.556 0.009 0.000 0.298 228 H C 1.453 176.777 175.328 -0.006 0.000 1.103 228 H CA 1.491 57.532 56.048 -0.012 0.000 1.293 228 H CB 0.082 29.811 29.762 -0.056 0.000 1.372 228 H HN 0.325 nan 8.280 nan 0.000 0.501 229 I N 0.869 121.527 120.570 0.147 0.000 2.233 229 I HA -0.194 3.982 4.170 0.009 0.000 0.243 229 I C 2.342 178.528 176.117 0.116 0.000 1.093 229 I CA 1.181 62.549 61.300 0.113 0.000 1.380 229 I CB -1.068 36.971 38.000 0.066 0.000 1.067 229 I HN 0.201 nan 8.210 nan 0.000 0.413 230 D N 0.641 121.105 120.400 0.106 0.000 2.123 230 D HA -0.272 4.374 4.640 0.009 0.000 0.196 230 D C 2.258 178.605 176.300 0.078 0.000 0.992 230 D CA 1.490 55.546 54.000 0.094 0.000 0.833 230 D CB -0.016 40.845 40.800 0.102 0.000 0.954 230 D HN 0.318 nan 8.370 nan 0.000 0.455 231 Q N -0.833 119.012 119.800 0.075 0.000 2.084 231 Q HA -0.155 4.191 4.340 0.009 0.000 0.202 231 Q C 2.191 178.167 176.000 -0.040 0.000 0.978 231 Q CA 1.044 56.868 55.803 0.034 0.000 0.844 231 Q CB -0.214 28.546 28.738 0.037 0.000 0.898 231 Q HN 0.369 nan 8.270 nan 0.000 0.426 232 L N 1.113 122.325 121.223 -0.017 0.000 2.042 232 L HA -0.197 4.148 4.340 0.009 0.000 0.210 232 L C 1.875 178.746 176.870 0.003 0.000 1.076 232 L CA 1.915 56.738 54.840 -0.028 0.000 0.749 232 L CB -0.317 41.793 42.059 0.085 0.000 0.893 232 L HN 0.065 nan 8.230 nan 0.000 0.432 233 K N -0.714 119.716 120.400 0.051 0.000 2.057 233 K HA -0.156 4.169 4.320 0.009 0.000 0.207 233 K C 2.101 178.719 176.600 0.030 0.000 1.049 233 K CA 1.732 58.050 56.287 0.052 0.000 0.931 233 K CB -0.361 32.180 32.500 0.069 0.000 0.714 233 K HN 0.352 nan 8.250 nan 0.000 0.440 234 L N 0.777 122.016 121.223 0.026 0.000 2.046 234 L HA -0.214 4.131 4.340 0.009 0.000 0.208 234 L C 2.385 179.272 176.870 0.029 0.000 1.077 234 L CA 1.252 56.138 54.840 0.076 0.000 0.747 234 L CB -0.462 41.688 42.059 0.152 0.000 0.896 234 L HN 0.203 nan 8.230 nan 0.000 0.432 235 I N -0.244 120.169 120.570 -0.262 0.000 2.142 235 I HA -0.325 3.851 4.170 0.009 0.000 0.240 235 I C 2.428 178.513 176.117 -0.052 0.000 1.078 235 I CA 1.392 62.396 61.300 -0.495 0.000 1.343 235 I CB -0.262 37.400 38.000 -0.563 0.000 1.046 235 I HN 0.207 nan 8.210 nan 0.000 0.405 236 L N 0.249 121.472 121.223 0.001 0.000 2.131 236 L HA -0.201 4.144 4.340 0.009 0.000 0.210 236 L C 2.720 179.639 176.870 0.081 0.000 1.092 236 L CA 1.106 55.987 54.840 0.068 0.000 0.759 236 L CB -0.652 41.445 42.059 0.063 0.000 0.903 236 L HN 0.272 nan 8.230 nan 0.000 0.435 237 R N 0.590 121.131 120.500 0.069 0.000 2.081 237 R HA -0.210 4.135 4.340 0.009 0.000 0.235 237 R C 2.298 178.649 176.300 0.084 0.000 1.131 237 R CA 1.546 57.685 56.100 0.065 0.000 0.960 237 R CB -0.172 30.157 30.300 0.049 0.000 0.856 237 R HN 0.237 nan 8.270 nan 0.000 0.436 238 L N -0.167 121.130 121.223 0.124 0.000 2.068 238 L HA 0.011 4.356 4.340 0.009 0.000 0.204 238 L C 1.876 178.893 176.870 0.245 0.000 1.076 238 L CA 1.349 56.263 54.840 0.124 0.000 0.753 238 L CB -0.089 42.055 42.059 0.141 0.000 0.910 238 L HN 0.013 nan 8.230 nan 0.000 0.439 239 V N 0.022 120.105 119.914 0.281 0.000 3.406 239 V HA 0.382 4.508 4.120 0.009 0.000 0.263 239 V C 0.933 177.160 176.094 0.222 0.000 1.172 239 V CA 0.638 63.136 62.300 0.330 0.000 1.140 239 V CB -0.881 31.184 31.823 0.403 0.000 0.784 239 V HN 0.739 nan 8.190 nan 0.000 0.467 240 G N 0.662 109.558 108.800 0.160 0.000 2.712 240 G HA2 -0.151 3.815 3.960 0.009 0.000 0.686 240 G HA3 -0.151 3.815 3.960 0.009 0.000 0.686 240 G C -0.116 174.837 174.900 0.088 0.000 1.321 240 G CA -0.403 44.761 45.100 0.108 0.000 0.813 240 G HN 0.569 nan 8.290 nan 0.000 0.599 241 T N 0.188 114.773 114.554 0.051 0.000 2.868 241 T HA 0.644 4.999 4.350 0.009 0.000 0.292 241 T C -2.091 172.617 174.700 0.013 0.000 1.028 241 T CA -0.895 61.220 62.100 0.025 0.000 1.059 241 T CB 1.365 70.227 68.868 -0.009 0.000 0.991 241 T HN 0.530 nan 8.240 nan 0.000 0.531 242 P HA 0.383 nan 4.420 nan 0.000 0.271 242 P C 0.389 177.661 177.300 -0.047 0.000 1.216 242 P CA -0.212 62.863 63.100 -0.041 0.000 0.776 242 P CB 0.333 31.958 31.700 -0.125 0.000 0.881 243 G N 0.738 109.519 108.800 -0.031 0.000 2.535 243 G HA2 0.409 4.374 3.960 0.009 0.000 0.303 243 G HA3 0.409 4.374 3.960 0.009 0.000 0.303 243 G C 1.022 175.895 174.900 -0.045 0.000 1.237 243 G CA -0.137 44.945 45.100 -0.030 0.000 0.986 243 G HN 0.454 nan 8.290 nan 0.000 0.494 244 A N -0.956 121.841 122.820 -0.038 0.000 1.940 244 A HA -0.097 4.229 4.320 0.009 0.000 0.219 244 A C 2.027 179.586 177.584 -0.040 0.000 1.176 244 A CA 2.223 54.234 52.037 -0.043 0.000 0.631 244 A CB -0.610 18.371 19.000 -0.032 0.000 0.814 244 A HN 0.771 nan 8.150 nan 0.000 0.446 245 E N -0.581 119.603 120.200 -0.026 0.000 2.058 245 E HA -0.189 4.166 4.350 0.009 0.000 0.194 245 E C 1.964 178.549 176.600 -0.025 0.000 0.997 245 E CA 1.249 57.638 56.400 -0.018 0.000 0.801 245 E CB -0.172 29.525 29.700 -0.004 0.000 0.746 245 E HN 0.540 nan 8.360 nan 0.000 0.450 246 L N 0.895 122.098 121.223 -0.032 0.000 2.072 246 L HA -0.126 4.219 4.340 0.009 0.000 0.205 246 L C 2.346 179.157 176.870 -0.098 0.000 1.079 246 L CA 1.120 55.934 54.840 -0.044 0.000 0.752 246 L CB -0.533 41.505 42.059 -0.034 0.000 0.906 246 L HN 0.302 nan 8.230 nan 0.000 0.436 247 L N 0.259 121.409 121.223 -0.123 0.000 2.081 247 L HA -0.290 4.055 4.340 0.009 0.000 0.212 247 L C 2.544 179.340 176.870 -0.124 0.000 1.080 247 L CA 1.531 56.273 54.840 -0.164 0.000 0.754 247 L CB -0.360 41.615 42.059 -0.140 0.000 0.893 247 L HN 0.222 nan 8.230 nan 0.000 0.433 248 K N -0.125 120.228 120.400 -0.079 0.000 2.209 248 K HA -0.162 4.164 4.320 0.009 0.000 0.204 248 K C 1.752 178.325 176.600 -0.046 0.000 1.048 248 K CA 1.128 57.382 56.287 -0.054 0.000 0.940 248 K CB 0.062 32.542 32.500 -0.034 0.000 0.729 248 K HN 0.280 nan 8.250 nan 0.000 0.451 249 K N 0.043 120.414 120.400 -0.047 0.000 2.393 249 K HA 0.133 4.459 4.320 0.009 0.000 0.193 249 K C -0.024 176.557 176.600 -0.032 0.000 1.026 249 K CA 0.143 56.416 56.287 -0.022 0.000 1.064 249 K CB 0.425 32.927 32.500 0.003 0.000 0.833 249 K HN 0.067 nan 8.250 nan 0.000 0.521 250 I N 2.198 122.713 120.570 -0.092 0.000 2.337 250 I HA -0.056 4.120 4.170 0.009 0.000 0.291 250 I C 1.450 177.518 176.117 -0.082 0.000 1.046 250 I CA -0.242 60.985 61.300 -0.121 0.000 1.324 250 I CB 1.528 39.324 38.000 -0.340 0.000 1.409 250 I HN 0.115 nan 8.210 nan 0.000 0.494 251 S N 2.810 118.488 115.700 -0.038 0.000 2.383 251 S HA -0.099 4.377 4.470 0.009 0.000 0.227 251 S C 1.173 175.758 174.600 -0.026 0.000 1.026 251 S CA 0.166 58.348 58.200 -0.029 0.000 0.981 251 S CB -0.076 63.106 63.200 -0.030 0.000 0.818 251 S HN 0.612 nan 8.310 nan 0.000 0.472 252 S N 1.452 117.142 115.700 -0.016 0.000 2.481 252 S HA 0.163 4.639 4.470 0.009 0.000 0.276 252 S C 0.944 175.530 174.600 -0.022 0.000 1.247 252 S CA -0.434 57.764 58.200 -0.004 0.000 1.053 252 S CB 0.867 64.088 63.200 0.035 0.000 0.925 252 S HN 0.577 nan 8.310 nan 0.000 0.491 253 E N 4.008 124.199 120.200 -0.015 0.000 2.077 253 E HA -0.136 4.220 4.350 0.009 0.000 0.193 253 E C 1.929 178.525 176.600 -0.007 0.000 0.989 253 E CA 1.524 57.913 56.400 -0.018 0.000 0.800 253 E CB -0.364 29.330 29.700 -0.011 0.000 0.746 253 E HN 0.724 nan 8.360 nan 0.000 0.452 254 S N -0.265 115.442 115.700 0.012 0.000 2.353 254 S HA -0.201 4.275 4.470 0.009 0.000 0.222 254 S C 2.070 176.709 174.600 0.064 0.000 1.035 254 S CA 1.482 59.703 58.200 0.035 0.000 1.025 254 S CB -0.467 62.753 63.200 0.033 0.000 0.902 254 S HN 0.471 nan 8.310 nan 0.000 0.440 255 A N 1.920 124.775 122.820 0.058 0.000 1.908 255 A HA -0.143 4.183 4.320 0.009 0.000 0.218 255 A C 2.254 179.814 177.584 -0.041 0.000 1.181 255 A CA 1.645 53.727 52.037 0.075 0.000 0.627 255 A CB -0.684 18.347 19.000 0.051 0.000 0.818 255 A HN 0.656 nan 8.150 nan 0.000 0.445 256 R N -0.532 119.903 120.500 -0.108 0.000 2.096 256 R HA -0.114 4.231 4.340 0.009 0.000 0.235 256 R C 1.980 178.228 176.300 -0.087 0.000 1.127 256 R CA 1.580 57.590 56.100 -0.150 0.000 0.968 256 R CB -0.514 29.708 30.300 -0.130 0.000 0.861 256 R HN 0.703 nan 8.270 nan 0.000 0.440 257 N N -0.110 118.576 118.700 -0.025 0.000 2.142 257 N HA -0.209 4.537 4.740 0.009 0.000 0.186 257 N C 1.658 177.184 175.510 0.027 0.000 1.023 257 N CA 0.988 54.038 53.050 0.000 0.000 0.852 257 N CB -0.174 38.329 38.487 0.026 0.000 0.998 257 N HN 0.164 nan 8.380 nan 0.000 0.424 258 Y N 1.883 122.168 120.300 -0.026 0.000 2.114 258 Y HA -0.121 4.435 4.550 0.009 0.000 0.284 258 Y C 1.940 177.835 175.900 -0.007 0.000 1.143 258 Y CA 1.244 59.345 58.100 0.001 0.000 1.135 258 Y CB -0.487 37.996 38.460 0.038 0.000 0.980 258 Y HN 0.003 nan 8.280 nan 0.000 0.499 259 I N 0.382 120.808 120.570 -0.239 0.000 2.163 259 I HA -0.389 3.787 4.170 0.009 0.000 0.243 259 I C 2.351 178.307 176.117 -0.268 0.000 1.085 259 I CA 1.873 62.985 61.300 -0.312 0.000 1.347 259 I CB -0.518 37.325 38.000 -0.262 0.000 1.044 259 I HN 0.324 nan 8.210 nan 0.000 0.408 260 Q N 0.024 119.712 119.800 -0.185 0.000 2.437 260 Q HA -0.141 4.205 4.340 0.009 0.000 0.210 260 Q C 2.231 178.151 176.000 -0.133 0.000 0.972 260 Q CA 1.457 57.178 55.803 -0.136 0.000 0.903 260 Q CB -0.111 28.570 28.738 -0.095 0.000 0.967 260 Q HN 0.627 nan 8.270 nan 0.000 0.486 261 S N -0.502 115.090 115.700 -0.181 0.000 2.489 261 S HA -0.013 4.462 4.470 0.009 0.000 0.228 261 S C 0.732 175.235 174.600 -0.162 0.000 0.995 261 S CA -0.042 58.072 58.200 -0.143 0.000 0.934 261 S CB 0.110 63.245 63.200 -0.109 0.000 0.771 261 S HN 0.053 nan 8.310 nan 0.000 0.522 262 L N 2.486 123.571 121.223 -0.231 0.000 2.371 262 L HA 0.603 4.949 4.340 0.009 0.000 0.272 262 L C 0.708 177.520 176.870 -0.097 0.000 1.124 262 L CA -0.821 53.916 54.840 -0.171 0.000 0.816 262 L CB 0.177 42.110 42.059 -0.210 0.000 1.129 262 L HN 0.290 nan 8.230 nan 0.000 0.448 263 A N 3.821 126.604 122.820 -0.061 0.000 2.520 263 A HA 0.193 4.518 4.320 0.009 0.000 0.245 263 A C 0.419 177.982 177.584 -0.035 0.000 1.072 263 A CA -0.276 51.738 52.037 -0.039 0.000 0.761 263 A CB -0.301 18.685 19.000 -0.023 0.000 1.004 263 A HN 0.745 nan 8.150 nan 0.000 0.499 264 Q N 0.853 120.634 119.800 -0.031 0.000 2.432 264 Q HA 0.375 4.720 4.340 0.009 0.000 0.264 264 Q C -0.515 175.481 176.000 -0.006 0.000 1.035 264 Q CA 0.708 56.498 55.803 -0.022 0.000 0.908 264 Q CB 0.552 29.278 28.738 -0.021 0.000 1.280 264 Q HN 0.759 nan 8.270 nan 0.000 0.455 265 M N 2.468 122.071 119.600 0.005 0.000 2.433 265 M HA 0.428 4.913 4.480 0.009 0.000 0.290 265 M C -2.475 173.846 176.300 0.034 0.000 1.173 265 M CA -2.020 53.292 55.300 0.020 0.000 0.905 265 M CB 2.638 35.254 32.600 0.026 0.000 1.692 265 M HN 0.438 nan 8.290 nan 0.000 0.462 266 P HA 0.249 nan 4.420 nan 0.000 0.279 266 P C -1.426 175.920 177.300 0.077 0.000 1.252 266 P CA -0.572 62.558 63.100 0.050 0.000 0.811 266 P CB 1.000 32.724 31.700 0.040 0.000 1.035 267 K N 1.814 122.271 120.400 0.095 0.000 2.436 267 K HA 0.147 4.473 4.320 0.009 0.000 0.275 267 K C 0.343 177.036 176.600 0.156 0.000 0.999 267 K CA -0.037 56.340 56.287 0.150 0.000 0.980 267 K CB 0.087 32.671 32.500 0.139 0.000 0.919 267 K HN 0.396 nan 8.250 nan 0.000 0.484 268 M N 2.612 122.339 119.600 0.210 0.000 2.227 268 M HA 0.053 4.539 4.480 0.009 0.000 0.316 268 M C 0.449 176.910 176.300 0.268 0.000 1.144 268 M CA -0.471 54.931 55.300 0.170 0.000 1.121 268 M CB 0.688 33.339 32.600 0.084 0.000 1.440 268 M HN 0.603 nan 8.290 nan 0.000 0.473 269 N N 1.113 119.920 118.700 0.177 0.000 2.402 269 N HA 0.047 4.792 4.740 0.009 0.000 0.252 269 N C 0.026 175.701 175.510 0.275 0.000 1.118 269 N CA 0.185 53.349 53.050 0.190 0.000 0.945 269 N CB 0.278 38.822 38.487 0.095 0.000 1.147 269 N HN 0.434 nan 8.380 nan 0.000 0.495 270 F N 2.397 122.379 119.950 0.054 0.000 2.269 270 F HA -0.059 4.474 4.527 0.009 0.000 0.301 270 F C 2.248 178.122 175.800 0.124 0.000 1.082 270 F CA 0.807 58.880 58.000 0.122 0.000 1.360 270 F CB -0.787 38.355 39.000 0.237 0.000 1.041 270 F HN 0.665 nan 8.300 nan 0.000 0.512 271 A N -0.187 122.783 122.820 0.251 0.000 2.015 271 A HA -0.183 4.143 4.320 0.009 0.000 0.219 271 A C 1.824 179.448 177.584 0.066 0.000 1.163 271 A CA 1.685 53.812 52.037 0.149 0.000 0.646 271 A CB -0.920 18.140 19.000 0.100 0.000 0.806 271 A HN 0.482 nan 8.150 nan 0.000 0.448 272 N N -1.143 117.573 118.700 0.027 0.000 2.336 272 N HA 0.145 4.891 4.740 0.009 0.000 0.189 272 N C 0.952 176.382 175.510 -0.135 0.000 1.113 272 N CA 0.270 53.298 53.050 -0.036 0.000 0.858 272 N CB 0.585 39.060 38.487 -0.021 0.000 0.970 272 N HN 0.280 nan 8.380 nan 0.000 0.471 273 V N -0.321 119.446 119.914 -0.245 0.000 2.599 273 V HA 0.092 4.218 4.120 0.009 0.000 0.237 273 V C 0.074 175.779 176.094 -0.648 0.000 1.081 273 V CA 0.787 62.745 62.300 -0.569 0.000 1.107 273 V CB -0.100 31.137 31.823 -0.975 0.000 0.808 273 V HN 0.092 nan 8.190 nan 0.000 0.486 274 F N 2.238 122.129 119.950 -0.098 0.000 2.606 274 F HA 0.381 4.914 4.527 0.009 0.000 0.347 274 F C 0.455 176.230 175.800 -0.042 0.000 1.207 274 F CA -0.809 57.143 58.000 -0.079 0.000 1.306 274 F CB -0.785 38.169 39.000 -0.075 0.000 1.657 274 F HN -0.036 nan 8.300 nan 0.000 0.606 275 I N 1.933 122.513 120.570 0.017 0.000 2.919 275 I HA -0.044 4.131 4.170 0.009 0.000 0.299 275 I C 1.481 177.626 176.117 0.047 0.000 1.221 275 I CA 0.743 62.055 61.300 0.020 0.000 1.424 275 I CB -0.740 37.251 38.000 -0.015 0.000 1.358 275 I HN 0.799 nan 8.210 nan 0.000 0.551 276 G N 4.548 113.376 108.800 0.047 0.000 2.184 276 G HA2 -0.217 3.748 3.960 0.009 0.000 0.264 276 G HA3 -0.217 3.748 3.960 0.009 0.000 0.264 276 G C 0.542 175.475 174.900 0.055 0.000 0.975 276 G CA 0.280 45.407 45.100 0.045 0.000 0.642 276 G HN 1.073 nan 8.290 nan 0.000 0.536 277 A N -0.184 122.680 122.820 0.074 0.000 2.332 277 A HA 0.584 4.909 4.320 0.009 0.000 0.258 277 A C 0.753 178.361 177.584 0.041 0.000 1.087 277 A CA 0.360 52.432 52.037 0.059 0.000 0.802 277 A CB 0.260 19.293 19.000 0.055 0.000 1.042 277 A HN 0.866 nan 8.150 nan 0.000 0.489 278 N N 1.089 119.812 118.700 0.039 0.000 2.411 278 N HA 0.035 4.781 4.740 0.009 0.000 0.261 278 N C -1.862 173.649 175.510 0.002 0.000 1.248 278 N CA -1.345 51.734 53.050 0.048 0.000 0.885 278 N CB 0.701 39.265 38.487 0.129 0.000 1.062 278 N HN 0.166 nan 8.380 nan 0.000 0.471 279 P HA -0.148 nan 4.420 nan 0.000 0.218 279 P C 1.314 178.606 177.300 -0.013 0.000 1.146 279 P CA 0.649 63.755 63.100 0.010 0.000 0.813 279 P CB 0.297 32.011 31.700 0.023 0.000 0.778 280 L N -1.038 120.187 121.223 0.003 0.000 2.141 280 L HA -0.048 4.298 4.340 0.009 0.000 0.209 280 L C 2.304 179.027 176.870 -0.245 0.000 1.094 280 L CA 1.618 56.477 54.840 0.031 0.000 0.763 280 L CB -1.871 40.294 42.059 0.178 0.000 0.908 280 L HN -0.085 nan 8.230 nan 0.000 0.437 281 A N -1.323 121.198 122.820 -0.498 0.000 1.897 281 A HA -0.094 4.232 4.320 0.009 0.000 0.215 281 A C 2.365 179.647 177.584 -0.502 0.000 1.181 281 A CA 1.512 53.004 52.037 -0.908 0.000 0.620 281 A CB -0.714 17.842 19.000 -0.740 0.000 0.821 281 A HN 0.180 nan 8.150 nan 0.000 0.443 282 V N 0.591 120.352 119.914 -0.255 0.000 2.295 282 V HA -0.275 3.850 4.120 0.009 0.000 0.246 282 V C 2.341 178.369 176.094 -0.111 0.000 1.049 282 V CA 2.535 64.777 62.300 -0.096 0.000 1.024 282 V CB -0.832 31.025 31.823 0.057 0.000 0.648 282 V HN 0.731 nan 8.190 nan 0.000 0.447 283 D N -0.272 120.062 120.400 -0.110 0.000 2.104 283 D HA -0.206 4.440 4.640 0.009 0.000 0.194 283 D C 1.962 178.152 176.300 -0.183 0.000 0.994 283 D CA 1.373 55.324 54.000 -0.082 0.000 0.830 283 D CB -0.140 40.692 40.800 0.054 0.000 0.959 283 D HN 0.272 nan 8.370 nan 0.000 0.452 284 L N 0.166 121.161 121.223 -0.381 0.000 2.046 284 L HA -0.035 4.310 4.340 0.009 0.000 0.208 284 L C 2.108 178.780 176.870 -0.329 0.000 1.077 284 L CA 1.434 55.931 54.840 -0.572 0.000 0.747 284 L CB -0.575 40.996 42.059 -0.814 0.000 0.896 284 L HN 0.213 nan 8.230 nan 0.000 0.432 285 L N -0.677 120.368 121.223 -0.297 0.000 2.042 285 L HA -0.238 4.108 4.340 0.009 0.000 0.210 285 L C 2.512 179.320 176.870 -0.102 0.000 1.076 285 L CA 1.578 56.310 54.840 -0.179 0.000 0.749 285 L CB -0.580 41.353 42.059 -0.211 0.000 0.893 285 L HN 0.367 nan 8.230 nan 0.000 0.432 286 E N -0.019 120.010 120.200 -0.284 0.000 2.153 286 E HA -0.235 4.121 4.350 0.009 0.000 0.194 286 E C 2.052 178.495 176.600 -0.261 0.000 0.988 286 E CA 1.044 57.102 56.400 -0.569 0.000 0.811 286 E CB 0.017 29.351 29.700 -0.611 0.000 0.746 286 E HN 0.463 nan 8.360 nan 0.000 0.466 287 K N -0.218 120.084 120.400 -0.163 0.000 2.305 287 K HA 0.073 4.398 4.320 0.009 0.000 0.199 287 K C 1.972 178.558 176.600 -0.023 0.000 1.047 287 K CA 0.592 56.836 56.287 -0.072 0.000 0.976 287 K CB 0.166 32.636 32.500 -0.050 0.000 0.765 287 K HN 0.121 nan 8.250 nan 0.000 0.474 288 M N 0.054 119.624 119.600 -0.048 0.000 2.357 288 M HA -0.005 4.481 4.480 0.009 0.000 0.266 288 M C 0.211 176.516 176.300 0.009 0.000 1.095 288 M CA 0.657 55.950 55.300 -0.011 0.000 1.156 288 M CB 0.295 32.858 32.600 -0.062 0.000 1.365 288 M HN -0.042 nan 8.290 nan 0.000 0.447 289 L N 1.747 122.946 121.223 -0.041 0.000 2.796 289 L HA 0.241 4.587 4.340 0.009 0.000 0.235 289 L C -0.469 176.535 176.870 0.223 0.000 1.344 289 L CA -0.151 54.635 54.840 -0.091 0.000 1.245 289 L CB -0.862 41.164 42.059 -0.055 0.000 1.556 289 L HN -0.109 nan 8.230 nan 0.000 0.423 290 V N 0.772 120.877 119.914 0.318 0.000 2.472 290 V HA 0.159 4.284 4.120 0.009 0.000 0.290 290 V C 1.265 177.613 176.094 0.423 0.000 1.037 290 V CA -0.606 61.871 62.300 0.295 0.000 0.908 290 V CB 2.337 34.265 31.823 0.174 0.000 0.985 290 V HN 0.337 nan 8.190 nan 0.000 0.454 291 L N 2.568 123.993 121.223 0.337 0.000 2.017 291 L HA 0.011 4.357 4.340 0.009 0.000 0.208 291 L C 1.250 178.222 176.870 0.171 0.000 1.073 291 L CA 1.713 56.703 54.840 0.250 0.000 0.745 291 L CB -0.313 41.865 42.059 0.199 0.000 0.894 291 L HN 0.774 nan 8.230 nan 0.000 0.432 292 D N -1.223 119.267 120.400 0.149 0.000 2.339 292 D HA 0.004 4.650 4.640 0.009 0.000 0.256 292 D C 1.382 177.760 176.300 0.129 0.000 1.214 292 D CA 0.711 54.781 54.000 0.116 0.000 0.877 292 D CB 1.289 42.139 40.800 0.085 0.000 1.111 292 D HN 0.360 nan 8.370 nan 0.000 0.478 293 S N 2.760 118.533 115.700 0.122 0.000 2.419 293 S HA -0.183 4.293 4.470 0.009 0.000 0.233 293 S C 1.173 175.838 174.600 0.107 0.000 1.016 293 S CA 0.640 58.916 58.200 0.126 0.000 0.974 293 S CB 0.083 63.353 63.200 0.115 0.000 0.786 293 S HN 0.428 nan 8.310 nan 0.000 0.492 294 D N 1.910 122.364 120.400 0.089 0.000 2.264 294 D HA 0.022 4.668 4.640 0.009 0.000 0.208 294 D C 1.524 177.866 176.300 0.071 0.000 0.966 294 D CA 0.975 55.019 54.000 0.072 0.000 0.864 294 D CB -0.108 40.727 40.800 0.058 0.000 0.933 294 D HN 0.579 nan 8.370 nan 0.000 0.499 295 K N -0.145 120.304 120.400 0.081 0.000 2.358 295 K HA 0.170 4.496 4.320 0.009 0.000 0.197 295 K C 0.523 177.174 176.600 0.085 0.000 1.025 295 K CA -0.245 56.087 56.287 0.075 0.000 1.104 295 K CB 0.908 33.449 32.500 0.068 0.000 0.855 295 K HN -0.055 nan 8.250 nan 0.000 0.531 296 R N 1.336 121.900 120.500 0.108 0.000 2.594 296 R HA 0.175 4.521 4.340 0.009 0.000 0.272 296 R C 0.251 176.607 176.300 0.094 0.000 1.074 296 R CA -0.210 55.960 56.100 0.117 0.000 1.105 296 R CB 0.611 31.007 30.300 0.160 0.000 1.008 296 R HN 0.110 nan 8.270 nan 0.000 0.472 297 I N 1.727 122.347 120.570 0.083 0.000 2.754 297 I HA -0.024 4.151 4.170 0.009 0.000 0.285 297 I C 0.639 176.811 176.117 0.092 0.000 1.166 297 I CA 0.256 61.604 61.300 0.079 0.000 1.417 297 I CB 0.897 38.938 38.000 0.067 0.000 1.382 297 I HN 0.730 nan 8.210 nan 0.000 0.588 298 T N 3.642 118.252 114.554 0.093 0.000 2.847 298 T HA 0.458 4.814 4.350 0.009 0.000 0.279 298 T C 1.060 175.825 174.700 0.108 0.000 0.984 298 T CA -0.174 61.992 62.100 0.109 0.000 0.988 298 T CB 1.583 70.511 68.868 0.101 0.000 1.040 298 T HN 0.714 nan 8.240 nan 0.000 0.528 299 A N 1.106 124.004 122.820 0.129 0.000 1.883 299 A HA 0.126 4.452 4.320 0.009 0.000 0.217 299 A C 2.665 180.272 177.584 0.038 0.000 1.186 299 A CA 2.056 54.128 52.037 0.059 0.000 0.624 299 A CB -1.632 17.381 19.000 0.021 0.000 0.822 299 A HN 1.281 nan 8.150 nan 0.000 0.444 300 A N -0.834 122.026 122.820 0.067 0.000 1.908 300 A HA -0.236 4.089 4.320 0.009 0.000 0.218 300 A C 2.134 179.762 177.584 0.074 0.000 1.181 300 A CA 1.763 53.842 52.037 0.071 0.000 0.627 300 A CB -0.591 18.460 19.000 0.086 0.000 0.818 300 A HN 0.683 nan 8.150 nan 0.000 0.445 301 Q N -0.828 119.021 119.800 0.082 0.000 2.119 301 Q HA -0.029 4.317 4.340 0.009 0.000 0.201 301 Q C 2.425 178.495 176.000 0.117 0.000 0.972 301 Q CA 1.121 56.978 55.803 0.091 0.000 0.847 301 Q CB -0.357 28.438 28.738 0.094 0.000 0.903 301 Q HN 0.685 nan 8.270 nan 0.000 0.433 302 A N 1.074 123.967 122.820 0.123 0.000 1.902 302 A HA -0.162 4.163 4.320 0.009 0.000 0.217 302 A C 2.069 179.821 177.584 0.279 0.000 1.181 302 A CA 1.076 53.231 52.037 0.197 0.000 0.623 302 A CB -0.685 18.402 19.000 0.145 0.000 0.818 302 A HN 0.287 nan 8.150 nan 0.000 0.443 303 L N -0.866 120.408 121.223 0.085 0.000 2.127 303 L HA -0.194 4.151 4.340 0.009 0.000 0.211 303 L C 2.807 179.569 176.870 -0.181 0.000 1.089 303 L CA 1.039 55.882 54.840 0.004 0.000 0.757 303 L CB -0.372 41.679 42.059 -0.012 0.000 0.899 303 L HN 0.431 nan 8.230 nan 0.000 0.434 304 A N -2.216 120.462 122.820 -0.237 0.000 2.238 304 A HA -0.086 4.239 4.320 0.009 0.000 0.208 304 A C 1.018 178.590 177.584 -0.020 0.000 1.177 304 A CA 0.015 51.831 52.037 -0.368 0.000 0.804 304 A CB -0.708 18.232 19.000 -0.101 0.000 0.823 304 A HN 0.333 nan 8.150 nan 0.000 0.482 305 H N -0.007 119.114 119.070 0.084 0.000 2.815 305 H HA 0.268 4.829 4.556 0.009 0.000 0.350 305 H C 1.481 176.866 175.328 0.094 0.000 1.080 305 H CA 0.442 56.553 56.048 0.105 0.000 1.433 305 H CB 1.110 30.952 29.762 0.133 0.000 1.432 305 H HN 0.180 nan 8.280 nan 0.000 0.592 306 A N 5.083 127.742 122.820 -0.269 0.000 2.084 306 A HA -0.270 4.056 4.320 0.009 0.000 0.221 306 A C 1.929 179.548 177.584 0.059 0.000 1.161 306 A CA 1.428 53.408 52.037 -0.095 0.000 0.653 306 A CB -0.864 18.028 19.000 -0.181 0.000 0.802 306 A HN 0.847 nan 8.150 nan 0.000 0.457 307 Y N -0.699 119.602 120.300 0.002 0.000 2.333 307 Y HA -0.098 4.457 4.550 0.009 0.000 0.290 307 Y C 0.779 176.488 175.900 -0.318 0.000 1.144 307 Y CA 1.030 58.986 58.100 -0.239 0.000 1.228 307 Y CB -0.213 37.948 38.460 -0.499 0.000 0.985 307 Y HN 0.303 nan 8.280 nan 0.000 0.542 308 F N -0.967 119.105 119.950 0.204 0.000 2.684 308 F HA 0.414 4.947 4.527 0.009 0.000 0.298 308 F C 1.884 177.763 175.800 0.131 0.000 1.120 308 F CA 0.032 58.131 58.000 0.166 0.000 1.332 308 F CB -0.912 38.285 39.000 0.327 0.000 0.986 308 F HN 0.046 nan 8.300 nan 0.000 0.524 309 A N -0.155 122.764 122.820 0.165 0.000 1.948 309 A HA -0.276 4.050 4.320 0.009 0.000 0.220 309 A C 2.132 179.723 177.584 0.011 0.000 1.177 309 A CA 1.731 53.831 52.037 0.104 0.000 0.636 309 A CB -0.435 18.585 19.000 0.035 0.000 0.815 309 A HN 0.326 nan 8.150 nan 0.000 0.449 310 Q N -2.260 117.472 119.800 -0.114 0.000 2.436 310 Q HA -0.019 4.327 4.340 0.009 0.000 0.209 310 Q C 0.747 176.399 176.000 -0.580 0.000 0.965 310 Q CA 1.270 56.853 55.803 -0.366 0.000 0.910 310 Q CB -0.196 28.221 28.738 -0.536 0.000 0.980 310 Q HN 0.893 nan 8.270 nan 0.000 0.491 311 Y N -2.988 117.221 120.300 -0.151 0.000 2.494 311 Y HA 0.163 4.718 4.550 0.009 0.000 0.271 311 Y C 0.538 176.248 175.900 -0.318 0.000 1.113 311 Y CA -0.538 57.332 58.100 -0.383 0.000 1.240 311 Y CB 0.123 38.036 38.460 -0.911 0.000 1.268 311 Y HN 0.040 nan 8.280 nan 0.000 0.510 312 H N 2.282 121.353 119.070 0.002 0.000 3.107 312 H HA 0.051 4.613 4.556 0.009 0.000 0.301 312 H C -0.962 174.450 175.328 0.141 0.000 0.981 312 H CA 0.880 57.047 56.048 0.198 0.000 1.443 312 H CB 0.510 30.436 29.762 0.274 0.000 1.479 312 H HN 0.192 nan 8.280 nan 0.000 0.564 313 D N 8.040 128.311 120.400 -0.214 0.000 2.375 313 D HA 0.125 4.770 4.640 0.009 0.000 0.241 313 D C -1.915 174.268 176.300 -0.195 0.000 1.361 313 D CA -1.890 51.969 54.000 -0.235 0.000 0.995 313 D CB 1.578 42.354 40.800 -0.040 0.000 1.312 313 D HN 0.296 nan 8.370 nan 0.000 0.576 314 P HA -0.121 nan 4.420 nan 0.000 0.218 314 P C 0.403 177.718 177.300 0.025 0.000 1.146 314 P CA 0.865 63.937 63.100 -0.047 0.000 0.813 314 P CB 0.531 32.226 31.700 -0.010 0.000 0.778 315 D N -0.702 119.699 120.400 0.002 0.000 2.349 315 D HA -0.042 4.604 4.640 0.009 0.000 0.224 315 D C 0.535 176.861 176.300 0.042 0.000 1.029 315 D CA 0.847 54.862 54.000 0.026 0.000 0.879 315 D CB -0.190 40.618 40.800 0.013 0.000 0.906 315 D HN 0.199 nan 8.370 nan 0.000 0.528 316 D N 0.431 120.865 120.400 0.056 0.000 2.895 316 D HA 0.079 4.724 4.640 0.009 0.000 0.350 316 D C -0.693 175.673 176.300 0.111 0.000 1.389 316 D CA -0.132 53.911 54.000 0.072 0.000 0.812 316 D CB 0.030 40.871 40.800 0.070 0.000 1.164 316 D HN -0.082 nan 8.370 nan 0.000 0.455 317 E N 1.511 121.787 120.200 0.127 0.000 3.626 317 E HA 0.201 4.557 4.350 0.009 0.000 0.245 317 E C -2.432 174.279 176.600 0.185 0.000 1.236 317 E CA -1.434 55.064 56.400 0.165 0.000 1.072 317 E CB 1.568 31.370 29.700 0.170 0.000 1.309 317 E HN 0.234 nan 8.360 nan 0.000 0.400 318 P HA 0.022 nan 4.420 nan 0.000 0.272 318 P C 0.113 177.612 177.300 0.332 0.000 1.230 318 P CA -0.237 63.008 63.100 0.242 0.000 0.788 318 P CB 1.091 32.925 31.700 0.224 0.000 0.949 319 V N -2.017 118.035 119.914 0.231 0.000 3.093 319 V HA 0.868 4.993 4.120 0.009 0.000 0.320 319 V C 0.007 176.111 176.094 0.015 0.000 1.093 319 V CA -1.181 61.183 62.300 0.107 0.000 1.016 319 V CB 0.843 32.694 31.823 0.047 0.000 1.096 319 V HN 0.758 nan 8.190 nan 0.000 0.452 320 A N 0.652 123.246 122.820 -0.377 0.000 2.264 320 A HA 0.616 4.942 4.320 0.009 0.000 0.304 320 A C -0.149 177.392 177.584 -0.071 0.000 1.100 320 A CA -0.584 51.172 52.037 -0.467 0.000 0.839 320 A CB 0.177 18.624 19.000 -0.922 0.000 1.121 320 A HN 0.953 nan 8.150 nan 0.000 0.496 321 D N 0.828 121.243 120.400 0.026 0.000 2.357 321 D HA 0.353 4.999 4.640 0.009 0.000 0.242 321 D C -2.296 174.155 176.300 0.251 0.000 1.153 321 D CA -0.743 53.330 54.000 0.123 0.000 0.918 321 D CB 0.028 40.896 40.800 0.114 0.000 1.181 321 D HN 0.190 nan 8.370 nan 0.000 0.435 322 P HA -0.035 nan 4.420 nan 0.000 0.265 322 P C -0.823 176.605 177.300 0.214 0.000 1.187 322 P CA 0.271 63.467 63.100 0.159 0.000 0.766 322 P CB 0.147 31.910 31.700 0.105 0.000 0.820 323 Y N 2.875 123.114 120.300 -0.101 0.000 2.388 323 Y HA 0.244 4.800 4.550 0.009 0.000 0.328 323 Y C -0.223 175.612 175.900 -0.107 0.000 0.963 323 Y CA -1.324 56.591 58.100 -0.309 0.000 1.240 323 Y CB 0.464 38.587 38.460 -0.561 0.000 1.118 323 Y HN 0.264 nan 8.280 nan 0.000 0.484 324 D N 4.756 124.980 120.400 -0.294 0.000 2.342 324 D HA 0.000 4.646 4.640 0.009 0.000 0.260 324 D C 0.104 176.169 176.300 -0.392 0.000 1.278 324 D CA 0.551 54.411 54.000 -0.232 0.000 0.910 324 D CB 1.012 41.773 40.800 -0.066 0.000 1.079 324 D HN 0.842 nan 8.370 nan 0.000 0.496 325 Q N 1.676 121.263 119.800 -0.356 0.000 2.220 325 Q HA 0.015 4.360 4.340 0.009 0.000 0.205 325 Q C 1.698 177.477 176.000 -0.368 0.000 0.865 325 Q CA -0.131 55.421 55.803 -0.419 0.000 0.960 325 Q CB 0.312 28.855 28.738 -0.324 0.000 1.097 325 Q HN 0.534 nan 8.270 nan 0.000 0.493 326 S N -0.182 115.435 115.700 -0.138 0.000 2.419 326 S HA -0.220 4.256 4.470 0.009 0.000 0.235 326 S C 1.584 176.162 174.600 -0.037 0.000 1.019 326 S CA 1.080 59.236 58.200 -0.075 0.000 0.982 326 S CB -0.750 62.449 63.200 -0.003 0.000 0.789 326 S HN 0.629 nan 8.310 nan 0.000 0.490 327 F N 1.972 121.978 119.950 0.093 0.000 2.408 327 F HA 0.168 4.700 4.527 0.010 0.000 0.300 327 F C 1.968 177.951 175.800 0.304 0.000 1.090 327 F CA 0.826 58.963 58.000 0.228 0.000 1.427 327 F CB -0.666 38.589 39.000 0.425 0.000 1.070 327 F HN 0.071 nan 8.300 nan 0.000 0.549 328 E N 1.040 120.901 120.200 -0.563 0.000 2.204 328 E HA -0.124 4.232 4.350 0.009 0.000 0.195 328 E C 1.794 178.366 176.600 -0.046 0.000 0.990 328 E CA 1.361 57.552 56.400 -0.350 0.000 0.821 328 E CB -0.366 29.061 29.700 -0.456 0.000 0.750 328 E HN 0.627 nan 8.360 nan 0.000 0.477 329 S N -0.019 115.667 115.700 -0.022 0.000 2.568 329 S HA 0.241 4.716 4.470 0.009 0.000 0.232 329 S C 0.696 175.337 174.600 0.069 0.000 0.975 329 S CA -0.486 57.725 58.200 0.019 0.000 0.949 329 S CB 0.531 63.717 63.200 -0.023 0.000 0.829 329 S HN -0.062 nan 8.310 nan 0.000 0.479 330 R N 2.015 122.601 120.500 0.144 0.000 2.357 330 R HA 0.340 4.686 4.340 0.009 0.000 0.296 330 R C -1.234 175.145 176.300 0.132 0.000 1.052 330 R CA -0.194 55.966 56.100 0.099 0.000 0.988 330 R CB 0.436 30.770 30.300 0.057 0.000 1.025 330 R HN -0.004 nan 8.270 nan 0.000 0.469 331 D N 4.315 124.735 120.400 0.032 0.000 2.479 331 D HA 0.236 4.882 4.640 0.009 0.000 0.218 331 D C -0.960 175.303 176.300 -0.062 0.000 1.131 331 D CA -0.107 53.920 54.000 0.045 0.000 0.916 331 D CB 0.208 41.025 40.800 0.027 0.000 1.022 331 D HN 0.303 nan 8.370 nan 0.000 0.515 332 L N 2.186 123.340 121.223 -0.115 0.000 2.303 332 L HA 0.543 4.889 4.340 0.009 0.000 0.266 332 L C 0.107 176.894 176.870 -0.139 0.000 1.011 332 L CA -1.246 53.378 54.840 -0.361 0.000 0.818 332 L CB 1.543 42.942 42.059 -1.100 0.000 1.326 332 L HN 0.054 nan 8.230 nan 0.000 0.435 333 L N 1.157 122.292 121.223 -0.147 0.000 2.421 333 L HA 0.298 4.644 4.340 0.009 0.000 0.263 333 L C 1.385 178.294 176.870 0.065 0.000 1.122 333 L CA -0.428 54.407 54.840 -0.007 0.000 0.804 333 L CB 1.071 43.107 42.059 -0.038 0.000 1.150 333 L HN 0.597 nan 8.230 nan 0.000 0.457 334 I N 0.557 121.219 120.570 0.154 0.000 2.113 334 I HA -0.355 3.821 4.170 0.009 0.000 0.242 334 I C 1.736 177.906 176.117 0.087 0.000 1.064 334 I CA 1.567 62.989 61.300 0.204 0.000 1.320 334 I CB -0.190 37.894 38.000 0.140 0.000 1.028 334 I HN 0.775 nan 8.210 nan 0.000 0.406 335 D N 0.449 120.843 120.400 -0.010 0.000 2.221 335 D HA -0.175 4.470 4.640 0.009 0.000 0.204 335 D C 2.105 178.343 176.300 -0.103 0.000 0.982 335 D CA 1.141 55.092 54.000 -0.081 0.000 0.857 335 D CB -0.144 40.611 40.800 -0.076 0.000 0.934 335 D HN 0.485 nan 8.370 nan 0.000 0.475 336 E N -0.950 119.172 120.200 -0.129 0.000 2.112 336 E HA -0.097 4.259 4.350 0.009 0.000 0.190 336 E C 2.022 178.468 176.600 -0.257 0.000 0.979 336 E CA 0.379 56.639 56.400 -0.233 0.000 0.814 336 E CB -0.078 29.417 29.700 -0.342 0.000 0.762 336 E HN 0.408 nan 8.360 nan 0.000 0.460 337 W N 1.704 122.942 121.300 -0.103 0.000 2.381 337 W HA -0.094 4.571 4.660 0.009 0.000 0.301 337 W C 2.471 178.945 176.519 -0.074 0.000 1.205 337 W CA 0.596 57.876 57.345 -0.108 0.000 1.285 337 W CB 0.140 29.613 29.460 0.022 0.000 1.133 337 W HN -0.030 nan 8.180 nan 0.000 0.521 338 K N 0.127 120.546 120.400 0.031 0.000 2.026 338 K HA -0.214 4.111 4.320 0.009 0.000 0.208 338 K C 2.302 178.900 176.600 -0.003 0.000 1.048 338 K CA 1.727 57.804 56.287 -0.351 0.000 0.929 338 K CB -0.538 31.522 32.500 -0.733 0.000 0.713 338 K HN -0.019 nan 8.250 nan 0.000 0.439 339 S N 0.342 116.031 115.700 -0.019 0.000 2.382 339 S HA -0.109 4.366 4.470 0.009 0.000 0.228 339 S C 1.890 176.552 174.600 0.103 0.000 1.027 339 S CA 0.805 59.029 58.200 0.040 0.000 0.991 339 S CB -0.152 63.028 63.200 -0.034 0.000 0.823 339 S HN 0.258 nan 8.310 nan 0.000 0.469 340 L N 1.459 122.706 121.223 0.040 0.000 2.056 340 L HA -0.008 4.338 4.340 0.009 0.000 0.207 340 L C 2.699 179.737 176.870 0.280 0.000 1.078 340 L CA 1.989 56.849 54.840 0.034 0.000 0.749 340 L CB -1.480 40.392 42.059 -0.311 0.000 0.901 340 L HN 0.301 nan 8.230 nan 0.000 0.433 341 T N -1.863 112.941 114.554 0.417 0.000 2.708 341 T HA -0.273 4.082 4.350 0.009 0.000 0.266 341 T C 1.742 176.660 174.700 0.364 0.000 1.037 341 T CA 1.679 64.115 62.100 0.561 0.000 1.146 341 T CB -0.554 68.776 68.868 0.769 0.000 0.865 341 T HN 0.279 nan 8.240 nan 0.000 0.435 342 Y N 2.456 122.821 120.300 0.108 0.000 2.114 342 Y HA -0.234 4.322 4.550 0.009 0.000 0.282 342 Y C 2.097 177.898 175.900 -0.164 0.000 1.165 342 Y CA 1.573 59.455 58.100 -0.363 0.000 1.148 342 Y CB -0.555 37.648 38.460 -0.429 0.000 0.972 342 Y HN 0.160 nan 8.280 nan 0.000 0.504 343 D N -0.139 120.244 120.400 -0.029 0.000 2.117 343 D HA -0.164 4.482 4.640 0.009 0.000 0.197 343 D C 2.083 178.357 176.300 -0.043 0.000 0.987 343 D CA 1.475 55.433 54.000 -0.070 0.000 0.829 343 D CB -0.191 40.634 40.800 0.041 0.000 0.961 343 D HN 0.444 nan 8.370 nan 0.000 0.460 344 E N 0.485 120.723 120.200 0.062 0.000 2.077 344 E HA -0.105 4.250 4.350 0.009 0.000 0.193 344 E C 2.437 179.075 176.600 0.063 0.000 0.989 344 E CA 0.333 56.789 56.400 0.093 0.000 0.800 344 E CB -0.303 29.480 29.700 0.138 0.000 0.746 344 E HN 0.163 nan 8.360 nan 0.000 0.452 345 V N 1.310 121.221 119.914 -0.005 0.000 2.261 345 V HA -0.246 3.880 4.120 0.009 0.000 0.246 345 V C 2.406 178.472 176.094 -0.048 0.000 1.047 345 V CA 1.379 63.664 62.300 -0.025 0.000 1.015 345 V CB -0.414 31.356 31.823 -0.088 0.000 0.642 345 V HN 0.139 nan 8.190 nan 0.000 0.446 346 I N 1.225 121.645 120.570 -0.250 0.000 2.248 346 I HA -0.212 3.964 4.170 0.009 0.000 0.248 346 I C 2.421 178.503 176.117 -0.059 0.000 1.107 346 I CA 2.141 63.297 61.300 -0.241 0.000 1.373 346 I CB -0.547 37.159 38.000 -0.491 0.000 1.055 346 I HN 0.480 nan 8.210 nan 0.000 0.418 347 S N -0.869 114.822 115.700 -0.014 0.000 2.575 347 S HA 0.042 4.517 4.470 0.009 0.000 0.215 347 S C 0.800 175.449 174.600 0.081 0.000 0.966 347 S CA -0.526 57.691 58.200 0.028 0.000 0.911 347 S CB -0.918 62.295 63.200 0.022 0.000 0.780 347 S HN 0.201 nan 8.310 nan 0.000 0.514 348 F N 2.989 122.936 119.950 -0.004 0.000 2.602 348 F HA 0.363 4.896 4.527 0.010 0.000 0.385 348 F C -0.319 175.495 175.800 0.023 0.000 1.063 348 F CA -0.284 57.728 58.000 0.020 0.000 1.233 348 F CB 0.577 39.599 39.000 0.038 0.000 1.067 348 F HN -0.060 nan 8.300 nan 0.000 0.564 349 V N 8.733 128.194 119.914 -0.755 0.000 2.357 349 V HA 0.318 4.443 4.120 0.009 0.000 0.284 349 V C -1.915 173.575 176.094 -1.007 0.000 1.018 349 V CA -1.755 60.190 62.300 -0.593 0.000 0.841 349 V CB 1.071 32.706 31.823 -0.313 0.000 0.991 349 V HN 0.676 nan 8.190 nan 0.000 0.437 350 P HA 0.270 nan 4.420 nan 0.000 0.270 350 P C -2.543 174.652 177.300 -0.174 0.000 1.223 350 P CA -1.197 61.708 63.100 -0.326 0.000 0.785 350 P CB -0.262 31.460 31.700 0.037 0.000 0.923 351 P HA 0.298 nan 4.420 nan 0.000 0.274 351 P C -2.272 175.040 177.300 0.019 0.000 1.231 351 P CA -1.032 62.073 63.100 0.008 0.000 0.790 351 P CB -0.628 31.121 31.700 0.081 0.000 0.951 352 P HA 0.546 nan 4.420 nan 0.000 0.306 352 P C -1.251 176.067 177.300 0.030 0.000 1.309 352 P CA -0.646 62.460 63.100 0.011 0.000 0.759 352 P CB 0.708 32.406 31.700 -0.003 0.000 1.314 353 L N -0.214 121.018 121.223 0.016 0.000 2.516 353 L HA 0.456 4.802 4.340 0.009 0.000 0.267 353 L C -0.768 176.107 176.870 0.008 0.000 0.957 353 L CA -0.433 54.418 54.840 0.018 0.000 0.860 353 L CB 1.745 43.806 42.059 0.003 0.000 1.265 353 L HN 0.342 nan 8.230 nan 0.000 0.403 354 D N 0.000 120.407 120.400 0.012 0.000 6.856 354 D HA 0.000 4.646 4.640 0.009 0.000 0.175 354 D CA 0.000 54.004 54.000 0.006 0.000 0.868 354 D CB 0.000 40.804 40.800 0.007 0.000 0.688 354 D HN 0.000 nan 8.370 nan 0.000 0.683