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 2q17_1_B DATA FIRST_RESID 19 DATA SEQUENCE RPRSTRGQVR LPGGEFAMGD AFGEGYPADG ETPVHTVRLR PFHIDETAVT DATA SEQUENCE NARFAAFVKA TGHVTDAERF GSSAVFHLVV AAPDADVLGS AAGAPWWINV DATA SEQUENCE RGAHWRRPEG ARSDITGRPN HPVVHVSWND ATAYARWAGK RLPTEAEWEY DATA SEQUENCE AARGGLAGRR YAWGDELTPG GRWRCNIWQG RFPHVNTAED GHLSTAPVKS DATA SEQUENCE YRPNGHGLWN TAGNVWEWCS DWFSPTYYAE SPTVDPHGPG TGAARVLRGG DATA SEQUENCE SYLcHDSYcN RYRVAARSSN TPDSSSGNLG FRCANDAD 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 19 R HA 0.000 nan 4.340 nan 0.000 0.208 19 R C 0.000 176.218 176.300 -0.137 0.000 0.893 19 R CA 0.000 56.023 56.100 -0.129 0.000 0.921 19 R CB 0.000 30.189 30.300 -0.184 0.000 0.687 20 P HA 0.314 nan 4.420 nan 0.000 0.280 20 P C -0.246 176.963 177.300 -0.152 0.000 1.244 20 P CA -0.668 62.352 63.100 -0.133 0.000 0.784 20 P CB 0.930 32.555 31.700 -0.125 0.000 0.913 21 R N 1.744 122.173 120.500 -0.117 0.000 2.585 21 R HA 0.244 4.584 4.340 -0.001 0.000 0.275 21 R C -0.399 175.820 176.300 -0.135 0.000 1.018 21 R CA 0.371 56.400 56.100 -0.117 0.000 1.072 21 R CB 0.055 30.301 30.300 -0.089 0.000 0.953 21 R HN 0.567 nan 8.270 nan 0.000 0.419 22 S N 1.592 117.204 115.700 -0.146 0.000 2.575 22 S HA 0.220 4.690 4.470 -0.001 0.000 0.278 22 S C -0.014 174.501 174.600 -0.141 0.000 1.139 22 S CA -0.481 57.634 58.200 -0.142 0.000 0.954 22 S CB 1.715 64.822 63.200 -0.155 0.000 1.054 22 S HN 0.725 nan 8.310 nan 0.000 0.483 23 T N 0.861 115.323 114.554 -0.154 0.000 3.174 23 T HA 0.337 4.687 4.350 -0.001 0.000 0.269 23 T C 0.556 175.220 174.700 -0.060 0.000 1.017 23 T CA -0.462 61.537 62.100 -0.169 0.000 0.899 23 T CB -0.165 68.492 68.868 -0.351 0.000 1.077 23 T HN 0.575 nan 8.240 nan 0.000 0.552 24 R N 1.280 121.754 120.500 -0.043 0.000 2.502 24 R HA 0.305 4.645 4.340 -0.001 0.000 0.292 24 R C 1.389 177.704 176.300 0.025 0.000 0.998 24 R CA 1.520 57.616 56.100 -0.007 0.000 1.056 24 R CB -0.439 29.854 30.300 -0.011 0.000 0.939 24 R HN 0.642 nan 8.270 nan 0.000 0.411 25 G N 3.039 111.861 108.800 0.037 0.000 2.155 25 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.257 25 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.257 25 G C -0.150 174.795 174.900 0.074 0.000 0.983 25 G CA 0.328 45.461 45.100 0.055 0.000 0.676 25 G HN 0.632 nan 8.290 nan 0.000 0.528 26 Q N -0.736 119.108 119.800 0.074 0.000 2.274 26 Q HA 0.657 4.997 4.340 -0.001 0.000 0.260 26 Q C -0.336 175.727 176.000 0.104 0.000 0.974 26 Q CA -0.787 55.077 55.803 0.101 0.000 0.876 26 Q CB 3.026 31.837 28.738 0.121 0.000 1.297 26 Q HN 0.304 nan 8.270 nan 0.000 0.446 27 V N 2.361 122.314 119.914 0.064 0.000 2.532 27 V HA 0.379 4.498 4.120 -0.001 0.000 0.295 27 V C -0.601 175.436 176.094 -0.094 0.000 1.041 27 V CA -0.537 61.762 62.300 -0.002 0.000 0.926 27 V CB 1.547 33.349 31.823 -0.035 0.000 0.992 27 V HN 0.689 nan 8.190 nan 0.000 0.457 28 R N 6.218 126.624 120.500 -0.157 0.000 2.207 28 R HA 0.528 4.868 4.340 -0.001 0.000 0.334 28 R C -1.296 174.759 176.300 -0.409 0.000 1.013 28 R CA -0.508 55.343 56.100 -0.416 0.000 0.858 28 R CB 0.689 30.745 30.300 -0.407 0.000 1.094 28 R HN 0.766 nan 8.270 nan 0.000 0.457 29 L N 6.927 127.793 121.223 -0.594 0.000 2.325 29 L HA 0.441 4.781 4.340 -0.001 0.000 0.278 29 L C -1.348 175.299 176.870 -0.372 0.000 1.023 29 L CA -2.155 52.369 54.840 -0.527 0.000 0.811 29 L CB 2.092 43.711 42.059 -0.733 0.000 1.249 29 L HN 0.540 nan 8.230 nan 0.000 0.431 30 P HA 0.019 nan 4.420 nan 0.000 0.231 30 P C 0.827 178.077 177.300 -0.083 0.000 1.168 30 P CA 1.000 64.040 63.100 -0.101 0.000 0.779 30 P CB 0.633 32.311 31.700 -0.036 0.000 0.844 31 G N -0.116 108.598 108.800 -0.142 0.000 2.528 31 G HA2 0.116 4.075 3.960 -0.001 0.000 0.262 31 G HA3 0.116 4.075 3.960 -0.001 0.000 0.262 31 G C 0.314 175.107 174.900 -0.179 0.000 1.200 31 G CA 0.102 44.987 45.100 -0.358 0.000 0.951 31 G HN 0.718 nan 8.290 nan 0.000 0.566 32 G N -1.414 107.323 108.800 -0.105 0.000 2.472 32 G HA2 0.278 4.238 3.960 -0.001 0.000 0.205 32 G HA3 0.278 4.238 3.960 -0.001 0.000 0.205 32 G C -0.341 174.598 174.900 0.065 0.000 1.270 32 G CA 0.658 45.762 45.100 0.006 0.000 0.974 32 G HN 1.452 nan 8.290 nan 0.000 0.542 33 E N -0.019 120.251 120.200 0.116 0.000 2.249 33 E HA 0.616 4.966 4.350 -0.001 0.000 0.280 33 E C -0.349 176.430 176.600 0.299 0.000 1.016 33 E CA -0.189 56.297 56.400 0.143 0.000 0.830 33 E CB 1.326 31.059 29.700 0.056 0.000 1.081 33 E HN 0.802 nan 8.360 nan 0.000 0.395 34 F N -0.558 119.409 119.950 0.028 0.000 2.662 34 F HA 0.701 5.227 4.527 -0.001 0.000 0.312 34 F C -1.468 174.302 175.800 -0.050 0.000 1.113 34 F CA -1.553 56.474 58.000 0.045 0.000 0.951 34 F CB 0.776 39.883 39.000 0.178 0.000 1.344 34 F HN 0.343 nan 8.300 nan 0.000 0.462 35 A N 3.949 126.673 122.820 -0.160 0.000 2.279 35 A HA 0.566 4.885 4.320 -0.001 0.000 0.306 35 A C -0.469 176.859 177.584 -0.427 0.000 1.300 35 A CA -0.480 51.358 52.037 -0.333 0.000 0.925 35 A CB -0.076 18.838 19.000 -0.144 0.000 1.152 35 A HN 0.922 nan 8.150 nan 0.000 0.544 36 M N 3.840 122.929 119.600 -0.851 0.000 2.209 36 M HA 0.558 5.038 4.480 -0.001 0.000 0.355 36 M C 0.383 176.410 176.300 -0.454 0.000 1.171 36 M CA 1.009 55.887 55.300 -0.703 0.000 1.069 36 M CB 0.950 32.876 32.600 -1.122 0.000 1.622 36 M HN 1.238 nan 8.290 nan 0.000 0.459 37 G N 3.133 111.898 108.800 -0.058 0.000 2.343 37 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.465 37 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.465 37 G C -1.902 173.096 174.900 0.165 0.000 1.282 37 G CA -0.882 44.334 45.100 0.193 0.000 0.996 37 G HN 0.695 nan 8.290 nan 0.000 0.521 38 D N 0.604 121.117 120.400 0.188 0.000 2.393 38 D HA 0.593 5.233 4.640 -0.001 0.000 0.232 38 D C 1.358 177.688 176.300 0.050 0.000 1.192 38 D CA 0.678 54.756 54.000 0.129 0.000 0.882 38 D CB 0.884 41.751 40.800 0.112 0.000 1.038 38 D HN 0.951 nan 8.370 nan 0.000 0.499 39 A N 3.344 126.149 122.820 -0.025 0.000 2.172 39 A HA -0.058 4.261 4.320 -0.001 0.000 0.216 39 A C 1.180 178.481 177.584 -0.472 0.000 1.154 39 A CA 0.783 52.647 52.037 -0.288 0.000 0.701 39 A CB -0.429 18.291 19.000 -0.466 0.000 0.789 39 A HN 0.603 nan 8.150 nan 0.000 0.465 40 F N -1.591 118.317 119.950 -0.071 0.000 2.727 40 F HA 0.357 4.883 4.527 -0.001 0.000 0.302 40 F C 1.638 177.388 175.800 -0.084 0.000 1.107 40 F CA 0.340 58.289 58.000 -0.085 0.000 1.277 40 F CB 0.158 39.087 39.000 -0.119 0.000 1.079 40 F HN 0.253 nan 8.300 nan 0.000 0.594 41 G N 1.693 110.538 108.800 0.076 0.000 2.333 41 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.296 41 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.296 41 G C 0.506 175.372 174.900 -0.057 0.000 1.059 41 G CA 0.523 45.623 45.100 0.001 0.000 1.050 41 G HN 0.494 nan 8.290 nan 0.000 0.508 42 E N -0.812 119.334 120.200 -0.090 0.000 2.473 42 E HA 0.261 4.611 4.350 -0.001 0.000 0.204 42 E C 2.025 178.383 176.600 -0.403 0.000 0.994 42 E CA 0.206 56.482 56.400 -0.207 0.000 0.945 42 E CB 0.448 30.046 29.700 -0.171 0.000 0.990 42 E HN 0.599 nan 8.360 nan 0.000 0.493 43 G N 0.038 108.649 108.800 -0.315 0.000 2.516 43 G HA2 0.243 4.202 3.960 -0.001 0.000 0.276 43 G HA3 0.243 4.202 3.960 -0.001 0.000 0.276 43 G C -0.791 173.772 174.900 -0.562 0.000 1.390 43 G CA -0.270 44.617 45.100 -0.356 0.000 1.050 43 G HN -0.010 nan 8.290 nan 0.000 0.519 44 Y N -1.216 119.088 120.300 0.007 0.000 2.562 44 Y HA 0.399 4.949 4.550 -0.000 0.000 0.343 44 Y C -1.333 174.577 175.900 0.018 0.000 1.025 44 Y CA -1.852 56.254 58.100 0.011 0.000 1.082 44 Y CB 1.949 40.414 38.460 0.007 0.000 1.264 44 Y HN 0.262 nan 8.280 nan 0.000 0.478 45 P HA -0.260 nan 4.420 nan 0.000 0.216 45 P C 1.024 178.380 177.300 0.093 0.000 1.154 45 P CA 2.615 65.773 63.100 0.097 0.000 0.865 45 P CB 0.108 31.859 31.700 0.086 0.000 0.789 46 A N -0.694 122.197 122.820 0.119 0.000 2.119 46 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 46 A C 1.782 179.490 177.584 0.206 0.000 1.153 46 A CA 1.372 53.486 52.037 0.128 0.000 0.692 46 A CB -0.945 18.112 19.000 0.095 0.000 0.799 46 A HN 0.104 nan 8.150 nan 0.000 0.458 47 D N -0.047 120.459 120.400 0.178 0.000 2.224 47 D HA 0.049 4.689 4.640 -0.001 0.000 0.205 47 D C 1.419 177.814 176.300 0.159 0.000 0.965 47 D CA 1.230 55.359 54.000 0.216 0.000 0.852 47 D CB -0.425 40.454 40.800 0.132 0.000 0.947 47 D HN 0.558 nan 8.370 nan 0.000 0.494 48 G N 1.801 110.613 108.800 0.021 0.000 2.350 48 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.298 48 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.298 48 G C 0.439 175.118 174.900 -0.368 0.000 1.037 48 G CA 0.388 45.396 45.100 -0.153 0.000 1.074 48 G HN 0.355 nan 8.290 nan 0.000 0.511 49 E N -0.497 119.605 120.200 -0.162 0.000 2.489 49 E HA 0.152 4.501 4.350 -0.001 0.000 0.193 49 E C 1.384 178.099 176.600 0.191 0.000 1.057 49 E CA 0.848 57.213 56.400 -0.059 0.000 0.866 49 E CB 0.299 30.042 29.700 0.072 0.000 0.916 49 E HN 0.718 nan 8.360 nan 0.000 0.500 50 T N -1.205 113.418 114.554 0.115 0.000 2.916 50 T HA 0.467 4.817 4.350 -0.001 0.000 0.292 50 T C -2.764 172.039 174.700 0.172 0.000 1.055 50 T CA -2.351 59.863 62.100 0.190 0.000 1.009 50 T CB 2.028 70.944 68.868 0.079 0.000 1.118 50 T HN -0.252 nan 8.240 nan 0.000 0.497 51 P HA 0.315 nan 4.420 nan 0.000 0.277 51 P C -0.224 177.208 177.300 0.219 0.000 1.240 51 P CA -0.490 62.685 63.100 0.126 0.000 0.798 51 P CB 0.607 32.333 31.700 0.043 0.000 0.979 52 V N 4.711 124.697 119.914 0.121 0.000 2.617 52 V HA 0.043 4.163 4.120 -0.001 0.000 0.304 52 V C 0.782 176.896 176.094 0.032 0.000 1.040 52 V CA 0.728 63.053 62.300 0.042 0.000 1.149 52 V CB -0.999 30.799 31.823 -0.042 0.000 0.914 52 V HN 0.790 nan 8.190 nan 0.000 0.487 53 H N 1.370 120.302 119.070 -0.230 0.000 2.930 53 H HA 0.424 4.979 4.556 -0.001 0.000 0.371 53 H C -0.648 174.489 175.328 -0.318 0.000 1.169 53 H CA -0.977 54.923 56.048 -0.246 0.000 1.157 53 H CB 1.207 30.812 29.762 -0.261 0.000 1.789 53 H HN 0.428 nan 8.280 nan 0.000 0.547 54 T N 2.434 116.842 114.554 -0.243 0.000 2.870 54 T HA 0.346 4.696 4.350 -0.001 0.000 0.300 54 T C 0.261 174.769 174.700 -0.321 0.000 0.989 54 T CA -0.310 61.611 62.100 -0.297 0.000 1.139 54 T CB 0.375 69.151 68.868 -0.153 0.000 0.920 54 T HN 0.355 nan 8.240 nan 0.000 0.537 55 V N 4.284 123.919 119.914 -0.464 0.000 2.588 55 V HA 0.515 4.634 4.120 -0.001 0.000 0.304 55 V C 0.060 176.082 176.094 -0.120 0.000 1.042 55 V CA -1.001 61.101 62.300 -0.329 0.000 0.877 55 V CB 2.047 33.562 31.823 -0.514 0.000 0.996 55 V HN 0.715 nan 8.190 nan 0.000 0.425 56 R N 3.620 124.094 120.500 -0.042 0.000 2.343 56 R HA 0.638 4.977 4.340 -0.001 0.000 0.320 56 R C -1.767 174.528 176.300 -0.008 0.000 0.956 56 R CA -0.694 55.406 56.100 0.000 0.000 0.836 56 R CB 1.191 31.484 30.300 -0.011 0.000 1.151 56 R HN 0.466 nan 8.270 nan 0.000 0.450 57 L N 4.163 125.369 121.223 -0.029 0.000 2.334 57 L HA 0.502 4.842 4.340 -0.001 0.000 0.276 57 L C 0.412 177.243 176.870 -0.065 0.000 1.014 57 L CA -0.616 54.169 54.840 -0.092 0.000 0.815 57 L CB 1.568 43.494 42.059 -0.223 0.000 1.268 57 L HN 0.592 nan 8.230 nan 0.000 0.428 58 R N 3.307 123.787 120.500 -0.032 0.000 2.707 58 R HA 0.286 4.626 4.340 -0.001 0.000 0.270 58 R C -2.093 174.253 176.300 0.077 0.000 1.083 58 R CA -1.389 54.718 56.100 0.013 0.000 1.182 58 R CB -0.079 30.237 30.300 0.026 0.000 1.084 58 R HN 0.435 nan 8.270 nan 0.000 0.528 59 P HA 0.003 nan 4.420 nan 0.000 0.269 59 P C -1.010 176.387 177.300 0.162 0.000 1.215 59 P CA 0.424 63.547 63.100 0.038 0.000 0.780 59 P CB 0.349 32.020 31.700 -0.048 0.000 0.898 60 F N -1.639 118.211 119.950 -0.165 0.000 2.773 60 F HA 0.498 5.024 4.527 -0.001 0.000 0.314 60 F C -1.196 174.479 175.800 -0.208 0.000 1.160 60 F CA -1.041 56.895 58.000 -0.107 0.000 0.920 60 F CB 0.835 39.822 39.000 -0.021 0.000 1.323 60 F HN 0.257 nan 8.300 nan 0.000 0.457 61 H N 1.615 120.719 119.070 0.056 0.000 2.533 61 H HA 0.786 5.341 4.556 -0.001 0.000 0.343 61 H C -1.094 174.297 175.328 0.105 0.000 1.160 61 H CA -0.745 55.279 56.048 -0.040 0.000 1.218 61 H CB 2.855 32.630 29.762 0.023 0.000 1.566 61 H HN 0.826 nan 8.280 nan 0.000 0.522 62 I N 1.540 122.195 120.570 0.142 0.000 2.722 62 I HA 0.075 4.244 4.170 -0.001 0.000 0.292 62 I C -1.043 175.153 176.117 0.132 0.000 1.267 62 I CA -0.816 60.599 61.300 0.192 0.000 1.036 62 I CB 2.230 40.366 38.000 0.227 0.000 1.281 62 I HN 0.458 nan 8.210 nan 0.000 0.423 63 D N 5.790 126.281 120.400 0.152 0.000 2.531 63 D HA -0.027 4.612 4.640 -0.001 0.000 0.239 63 D C 1.124 177.497 176.300 0.120 0.000 1.144 63 D CA 0.379 54.453 54.000 0.125 0.000 0.869 63 D CB 0.957 41.828 40.800 0.118 0.000 1.160 63 D HN 0.626 nan 8.370 nan 0.000 0.484 64 E N 0.758 121.039 120.200 0.135 0.000 2.204 64 E HA -0.133 4.216 4.350 -0.001 0.000 0.195 64 E C 0.526 177.298 176.600 0.288 0.000 0.990 64 E CA 0.641 57.171 56.400 0.216 0.000 0.821 64 E CB -0.066 29.801 29.700 0.278 0.000 0.750 64 E HN 0.452 nan 8.360 nan 0.000 0.477 65 T N -1.972 112.679 114.554 0.161 0.000 2.916 65 T HA 0.691 5.041 4.350 -0.001 0.000 0.292 65 T C -0.049 174.684 174.700 0.055 0.000 1.055 65 T CA -0.608 61.556 62.100 0.107 0.000 1.009 65 T CB 1.860 70.716 68.868 -0.019 0.000 1.118 65 T HN 0.267 nan 8.240 nan 0.000 0.497 66 A N 1.618 124.464 122.820 0.043 0.000 2.520 66 A HA 0.486 4.806 4.320 -0.001 0.000 0.235 66 A C 0.620 178.109 177.584 -0.160 0.000 1.065 66 A CA -0.491 51.523 52.037 -0.037 0.000 0.764 66 A CB -0.371 18.632 19.000 0.005 0.000 1.002 66 A HN 1.000 nan 8.150 nan 0.000 0.502 67 V N 2.865 122.542 119.914 -0.394 0.000 2.540 67 V HA 0.198 4.318 4.120 -0.001 0.000 0.297 67 V C 1.327 177.244 176.094 -0.296 0.000 1.024 67 V CA 0.578 62.584 62.300 -0.489 0.000 1.105 67 V CB 0.075 31.223 31.823 -1.126 0.000 0.938 67 V HN 1.119 nan 8.190 nan 0.000 0.482 68 T N 1.958 116.426 114.554 -0.144 0.000 2.847 68 T HA 0.195 4.545 4.350 -0.001 0.000 0.279 68 T C 1.160 175.884 174.700 0.040 0.000 0.984 68 T CA -0.630 61.453 62.100 -0.028 0.000 0.988 68 T CB 0.716 69.592 68.868 0.014 0.000 1.040 68 T HN 0.518 nan 8.240 nan 0.000 0.528 69 N N 0.832 119.607 118.700 0.124 0.000 2.104 69 N HA -0.131 4.609 4.740 -0.001 0.000 0.190 69 N C 2.240 177.904 175.510 0.256 0.000 1.024 69 N CA 1.631 54.825 53.050 0.241 0.000 0.853 69 N CB -1.012 37.636 38.487 0.267 0.000 1.008 69 N HN 0.838 nan 8.380 nan 0.000 0.424 70 A N 1.627 124.558 122.820 0.186 0.000 1.908 70 A HA -0.118 4.202 4.320 -0.001 0.000 0.218 70 A C 2.267 179.963 177.584 0.188 0.000 1.181 70 A CA 1.194 53.337 52.037 0.177 0.000 0.627 70 A CB -0.205 18.872 19.000 0.127 0.000 0.818 70 A HN 0.100 nan 8.150 nan 0.000 0.445 71 R N -1.721 118.884 120.500 0.175 0.000 2.073 71 R HA 0.018 4.357 4.340 -0.001 0.000 0.229 71 R C 1.880 178.369 176.300 0.314 0.000 1.120 71 R CA 1.174 57.423 56.100 0.248 0.000 0.967 71 R CB -1.259 29.172 30.300 0.217 0.000 0.862 71 R HN 0.626 nan 8.270 nan 0.000 0.436 72 F N 1.403 121.344 119.950 -0.014 0.000 2.186 72 F HA -0.116 4.410 4.527 -0.000 0.000 0.299 72 F C 2.177 177.874 175.800 -0.172 0.000 1.090 72 F CA 1.256 59.192 58.000 -0.107 0.000 1.307 72 F CB -0.169 38.618 39.000 -0.355 0.000 1.019 72 F HN 0.056 nan 8.300 nan 0.000 0.489 73 A N 0.209 123.047 122.820 0.031 0.000 1.940 73 A HA -0.148 4.171 4.320 -0.001 0.000 0.219 73 A C 2.361 179.975 177.584 0.050 0.000 1.176 73 A CA 1.807 53.930 52.037 0.145 0.000 0.631 73 A CB -1.457 17.781 19.000 0.396 0.000 0.814 73 A HN 0.457 nan 8.150 nan 0.000 0.446 74 A N -1.104 121.763 122.820 0.078 0.000 1.930 74 A HA 0.033 4.353 4.320 -0.001 0.000 0.217 74 A C 2.004 179.458 177.584 -0.215 0.000 1.175 74 A CA 1.518 53.594 52.037 0.065 0.000 0.627 74 A CB -0.693 18.447 19.000 0.233 0.000 0.815 74 A HN 0.775 nan 8.150 nan 0.000 0.443 75 F N 1.023 120.606 119.950 -0.612 0.000 2.095 75 F HA -0.159 4.368 4.527 -0.001 0.000 0.298 75 F C 2.097 177.308 175.800 -0.982 0.000 1.104 75 F CA 2.005 59.168 58.000 -1.394 0.000 1.232 75 F CB -0.612 37.832 39.000 -0.926 0.000 0.987 75 F HN 0.017 nan 8.300 nan 0.000 0.475 76 V N 0.953 120.295 119.914 -0.953 0.000 2.358 76 V HA -0.269 3.850 4.120 -0.001 0.000 0.246 76 V C 2.579 178.429 176.094 -0.406 0.000 1.047 76 V CA 2.179 64.036 62.300 -0.738 0.000 1.035 76 V CB -0.782 30.873 31.823 -0.280 0.000 0.658 76 V HN 0.330 nan 8.190 nan 0.000 0.452 77 K N 0.037 120.293 120.400 -0.240 0.000 2.209 77 K HA -0.145 4.175 4.320 -0.001 0.000 0.204 77 K C 2.012 178.526 176.600 -0.144 0.000 1.048 77 K CA 1.489 57.711 56.287 -0.109 0.000 0.940 77 K CB -0.131 32.359 32.500 -0.016 0.000 0.729 77 K HN 0.472 nan 8.250 nan 0.000 0.451 78 A N 0.042 122.705 122.820 -0.261 0.000 1.984 78 A HA -0.043 4.277 4.320 -0.001 0.000 0.214 78 A C 1.891 179.353 177.584 -0.203 0.000 1.173 78 A CA 1.470 53.413 52.037 -0.157 0.000 0.673 78 A CB -0.133 18.849 19.000 -0.030 0.000 0.830 78 A HN 0.500 nan 8.150 nan 0.000 0.453 79 T N -5.721 108.578 114.554 -0.425 0.000 2.978 79 T HA 0.412 4.762 4.350 -0.001 0.000 0.248 79 T C 1.465 176.014 174.700 -0.252 0.000 1.018 79 T CA 1.167 63.058 62.100 -0.349 0.000 1.026 79 T CB 0.185 68.711 68.868 -0.569 0.000 1.032 79 T HN 1.613 nan 8.240 nan 0.000 0.485 80 G N 1.614 110.246 108.800 -0.280 0.000 2.148 80 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.254 80 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.254 80 G C -0.037 174.767 174.900 -0.161 0.000 0.981 80 G CA 0.325 45.326 45.100 -0.166 0.000 0.670 80 G HN 1.070 nan 8.290 nan 0.000 0.528 81 H N 0.263 119.091 119.070 -0.403 0.000 3.167 81 H HA 0.334 4.889 4.556 -0.001 0.000 0.306 81 H C 0.835 176.100 175.328 -0.105 0.000 0.965 81 H CA 0.951 56.806 56.048 -0.322 0.000 1.408 81 H CB 0.659 30.020 29.762 -0.668 0.000 1.406 81 H HN 0.942 nan 8.280 nan 0.000 0.576 82 V N 4.222 123.851 119.914 -0.474 0.000 2.427 82 V HA 0.480 4.600 4.120 -0.001 0.000 0.286 82 V C 0.273 176.139 176.094 -0.381 0.000 1.034 82 V CA -0.078 62.069 62.300 -0.256 0.000 0.893 82 V CB 1.307 33.058 31.823 -0.120 0.000 0.982 82 V HN 1.007 nan 8.190 nan 0.000 0.452 83 T N 1.417 115.989 114.554 0.029 0.000 2.849 83 T HA 0.295 4.645 4.350 -0.001 0.000 0.284 83 T C 0.682 175.472 174.700 0.150 0.000 1.004 83 T CA -0.091 62.134 62.100 0.207 0.000 1.021 83 T CB 1.107 70.262 68.868 0.478 0.000 1.013 83 T HN 0.713 nan 8.240 nan 0.000 0.527 84 D N 1.128 121.636 120.400 0.178 0.000 2.123 84 D HA -0.120 4.520 4.640 -0.001 0.000 0.196 84 D C 2.349 178.763 176.300 0.190 0.000 0.992 84 D CA 1.742 55.832 54.000 0.150 0.000 0.833 84 D CB -0.706 40.166 40.800 0.121 0.000 0.954 84 D HN 0.769 nan 8.370 nan 0.000 0.455 85 A N 0.928 123.885 122.820 0.228 0.000 1.940 85 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 85 A C 2.088 179.792 177.584 0.200 0.000 1.176 85 A CA 1.658 53.845 52.037 0.251 0.000 0.631 85 A CB -0.492 18.678 19.000 0.284 0.000 0.814 85 A HN 0.251 nan 8.150 nan 0.000 0.446 86 E N -1.051 119.231 120.200 0.136 0.000 2.072 86 E HA -0.138 4.212 4.350 -0.001 0.000 0.190 86 E C 2.330 178.948 176.600 0.030 0.000 0.982 86 E CA 0.907 57.311 56.400 0.007 0.000 0.803 86 E CB -0.131 29.535 29.700 -0.057 0.000 0.755 86 E HN 0.566 nan 8.360 nan 0.000 0.453 87 R N -0.050 120.494 120.500 0.074 0.000 2.081 87 R HA -0.148 4.191 4.340 -0.001 0.000 0.235 87 R C 2.105 178.479 176.300 0.123 0.000 1.131 87 R CA 1.202 57.347 56.100 0.075 0.000 0.960 87 R CB -0.202 30.146 30.300 0.081 0.000 0.856 87 R HN 0.138 nan 8.270 nan 0.000 0.436 88 F N -0.411 119.549 119.950 0.018 0.000 2.234 88 F HA 0.045 4.572 4.527 -0.001 0.000 0.299 88 F C 1.566 177.373 175.800 0.012 0.000 1.087 88 F CA 1.836 59.849 58.000 0.021 0.000 1.340 88 F CB 0.175 39.199 39.000 0.040 0.000 1.031 88 F HN 0.308 nan 8.300 nan 0.000 0.500 89 G N -0.490 108.333 108.800 0.039 0.000 2.213 89 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.226 89 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.226 89 G C 0.244 175.143 174.900 -0.002 0.000 0.992 89 G CA 0.359 45.425 45.100 -0.056 0.000 0.632 89 G HN 0.960 nan 8.290 nan 0.000 0.511 90 S N -1.526 114.249 115.700 0.126 0.000 2.625 90 S HA 0.868 5.338 4.470 -0.001 0.000 0.271 90 S C -0.790 173.978 174.600 0.280 0.000 1.161 90 S CA 0.428 58.730 58.200 0.170 0.000 0.820 90 S CB 2.196 65.473 63.200 0.128 0.000 1.137 90 S HN 1.567 nan 8.310 nan 0.000 0.470 91 S N -0.602 115.213 115.700 0.191 0.000 2.607 91 S HA 0.774 5.243 4.470 -0.001 0.000 0.273 91 S C -0.972 173.776 174.600 0.248 0.000 1.148 91 S CA -0.263 58.066 58.200 0.214 0.000 0.833 91 S CB 1.337 64.645 63.200 0.179 0.000 1.130 91 S HN 1.687 nan 8.310 nan 0.000 0.470 92 A N 1.809 124.776 122.820 0.243 0.000 2.409 92 A HA 0.634 4.954 4.320 -0.001 0.000 0.262 92 A C -0.696 177.231 177.584 0.572 0.000 1.113 92 A CA -0.178 52.011 52.037 0.254 0.000 0.790 92 A CB -0.055 18.846 19.000 -0.166 0.000 1.046 92 A HN 0.782 nan 8.150 nan 0.000 0.496 93 V N 3.163 123.509 119.914 0.719 0.000 2.638 93 V HA 0.309 4.429 4.120 -0.001 0.000 0.306 93 V C -0.459 176.054 176.094 0.699 0.000 1.052 93 V CA -0.558 62.191 62.300 0.747 0.000 0.885 93 V CB 1.582 33.682 31.823 0.462 0.000 0.999 93 V HN 0.838 nan 8.190 nan 0.000 0.424 94 F N 4.351 124.529 119.950 0.380 0.000 2.538 94 F HA 0.225 4.752 4.527 0.001 0.000 0.371 94 F C 1.802 177.674 175.800 0.121 0.000 1.087 94 F CA 0.209 58.208 58.000 -0.001 0.000 1.250 94 F CB 0.547 39.474 39.000 -0.122 0.000 1.110 94 F HN 0.859 nan 8.300 nan 0.000 0.570 95 H N 3.347 122.031 119.070 -0.643 0.000 2.357 95 H HA -0.242 4.314 4.556 -0.001 0.000 0.296 95 H C 1.601 176.816 175.328 -0.190 0.000 1.108 95 H CA 2.187 58.017 56.048 -0.363 0.000 1.273 95 H CB -0.392 29.122 29.762 -0.413 0.000 1.367 95 H HN 0.577 nan 8.280 nan 0.000 0.498 96 L N 1.328 121.990 121.223 -0.935 0.000 2.362 96 L HA -0.042 4.297 4.340 -0.001 0.000 0.219 96 L C 2.026 178.856 176.870 -0.067 0.000 1.134 96 L CA 1.185 55.761 54.840 -0.441 0.000 0.807 96 L CB -0.043 41.901 42.059 -0.191 0.000 0.927 96 L HN 0.656 nan 8.230 nan 0.000 0.447 97 V N -5.368 114.583 119.914 0.060 0.000 3.528 97 V HA 0.276 4.396 4.120 -0.001 0.000 0.294 97 V C 0.760 176.914 176.094 0.101 0.000 1.404 97 V CA -0.579 61.780 62.300 0.098 0.000 1.065 97 V CB -0.189 31.727 31.823 0.155 0.000 0.904 97 V HN -0.136 nan 8.190 nan 0.000 0.435 98 V N 2.522 122.491 119.914 0.091 0.000 2.584 98 V HA 0.394 4.513 4.120 -0.001 0.000 0.303 98 V C 0.886 177.018 176.094 0.064 0.000 1.035 98 V CA 1.243 63.601 62.300 0.097 0.000 1.172 98 V CB 0.269 32.144 31.823 0.087 0.000 0.896 98 V HN 0.767 nan 8.190 nan 0.000 0.486 99 A N 4.750 127.609 122.820 0.065 0.000 2.893 99 A HA 0.838 5.157 4.320 -0.001 0.000 0.333 99 A C -0.066 177.540 177.584 0.036 0.000 1.152 99 A CA 0.235 52.295 52.037 0.040 0.000 0.782 99 A CB 0.719 19.737 19.000 0.030 0.000 1.108 99 A HN 1.463 nan 8.150 nan 0.000 0.469 100 A N 2.459 125.300 122.820 0.034 0.000 2.604 100 A HA 0.928 5.247 4.320 -0.001 0.000 0.295 100 A C -3.214 174.384 177.584 0.024 0.000 1.067 100 A CA -1.299 50.757 52.037 0.031 0.000 0.683 100 A CB 1.023 20.049 19.000 0.043 0.000 1.281 100 A HN 0.419 nan 8.150 nan 0.000 0.407 101 P HA 0.190 nan 4.420 nan 0.000 0.272 101 P C -0.282 177.028 177.300 0.017 0.000 1.230 101 P CA 0.018 63.127 63.100 0.014 0.000 0.788 101 P CB 0.630 32.336 31.700 0.009 0.000 0.949 102 D N 1.270 121.678 120.400 0.014 0.000 2.190 102 D HA -0.157 4.483 4.640 -0.001 0.000 0.200 102 D C 1.924 178.232 176.300 0.013 0.000 0.992 102 D CA 1.897 55.906 54.000 0.014 0.000 0.854 102 D CB -0.621 40.185 40.800 0.010 0.000 0.936 102 D HN 0.452 nan 8.370 nan 0.000 0.462 103 A N 0.574 123.400 122.820 0.009 0.000 2.067 103 A HA -0.149 4.170 4.320 -0.001 0.000 0.219 103 A C 1.482 179.070 177.584 0.007 0.000 1.158 103 A CA 1.303 53.343 52.037 0.005 0.000 0.661 103 A CB -0.095 18.906 19.000 0.001 0.000 0.801 103 A HN 0.011 nan 8.150 nan 0.000 0.452 104 D N -0.792 119.616 120.400 0.014 0.000 2.349 104 D HA 0.123 4.762 4.640 -0.001 0.000 0.215 104 D C 0.014 176.332 176.300 0.030 0.000 1.016 104 D CA 0.268 54.279 54.000 0.019 0.000 0.870 104 D CB 0.207 41.021 40.800 0.023 0.000 0.917 104 D HN 0.140 nan 8.370 nan 0.000 0.524 105 V N 2.235 122.167 119.914 0.031 0.000 2.372 105 V HA 0.102 4.221 4.120 -0.001 0.000 0.261 105 V C 1.429 177.542 176.094 0.032 0.000 1.055 105 V CA -0.010 62.315 62.300 0.040 0.000 0.930 105 V CB 1.127 32.973 31.823 0.039 0.000 1.031 105 V HN 0.059 nan 8.190 nan 0.000 0.479 106 L N 4.372 125.619 121.223 0.039 0.000 2.567 106 L HA 0.496 4.835 4.340 -0.001 0.000 0.225 106 L C 1.118 178.005 176.870 0.028 0.000 1.119 106 L CA 0.704 55.560 54.840 0.028 0.000 0.871 106 L CB -0.156 41.919 42.059 0.028 0.000 1.036 106 L HN 0.876 nan 8.230 nan 0.000 0.459 107 G N -0.907 107.914 108.800 0.035 0.000 2.353 107 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.424 107 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.424 107 G C -1.177 173.744 174.900 0.036 0.000 1.320 107 G CA -0.742 44.374 45.100 0.026 0.000 0.995 107 G HN -0.084 nan 8.290 nan 0.000 0.580 108 S N -0.542 115.165 115.700 0.011 0.000 2.578 108 S HA 0.793 5.262 4.470 -0.001 0.000 0.301 108 S C 0.611 175.205 174.600 -0.010 0.000 1.091 108 S CA 0.095 58.297 58.200 0.003 0.000 1.032 108 S CB 1.696 64.862 63.200 -0.055 0.000 1.064 108 S HN 2.029 nan 8.310 nan 0.000 0.508 109 A N 1.637 124.457 122.820 -0.000 0.000 2.537 109 A HA 0.488 4.807 4.320 -0.001 0.000 0.260 109 A C 0.699 178.224 177.584 -0.099 0.000 1.082 109 A CA -0.243 51.775 52.037 -0.033 0.000 0.765 109 A CB -0.822 18.171 19.000 -0.012 0.000 1.019 109 A HN 1.093 nan 8.150 nan 0.000 0.507 110 A N 2.588 125.365 122.820 -0.072 0.000 2.511 110 A HA 0.497 4.817 4.320 -0.001 0.000 0.242 110 A C 1.728 179.249 177.584 -0.105 0.000 1.069 110 A CA 0.736 52.724 52.037 -0.082 0.000 0.763 110 A CB -0.443 18.528 19.000 -0.048 0.000 1.001 110 A HN 2.718 nan 8.150 nan 0.000 0.498 111 G N 0.990 109.713 108.800 -0.127 0.000 2.284 111 G HA2 0.136 4.095 3.960 -0.001 0.000 0.247 111 G HA3 0.136 4.095 3.960 -0.001 0.000 0.247 111 G C 0.516 175.271 174.900 -0.241 0.000 1.012 111 G CA 0.628 45.653 45.100 -0.125 0.000 0.618 111 G HN 2.430 nan 8.290 nan 0.000 0.521 112 A N 0.282 122.860 122.820 -0.404 0.000 3.266 112 A HA 0.780 5.099 4.320 -0.001 0.000 0.310 112 A C -1.165 175.724 177.584 -1.158 0.000 1.066 112 A CA -0.018 51.445 52.037 -0.957 0.000 0.839 112 A CB 1.039 19.780 19.000 -0.432 0.000 1.192 112 A HN 0.120 nan 8.150 nan 0.000 0.496 113 P HA -0.077 nan 4.420 nan 0.000 0.242 113 P C 0.757 177.784 177.300 -0.455 0.000 1.197 113 P CA 0.511 63.303 63.100 -0.514 0.000 0.765 113 P CB -0.364 31.152 31.700 -0.307 0.000 0.936 114 W N -2.672 118.462 121.300 -0.278 0.000 2.800 114 W HA 0.221 4.880 4.660 -0.001 0.000 0.249 114 W C 0.217 176.497 176.519 -0.399 0.000 1.294 114 W CA -0.853 56.145 57.345 -0.578 0.000 1.402 114 W CB -1.513 27.524 29.460 -0.704 0.000 1.126 114 W HN -0.198 nan 8.180 nan 0.000 0.652 115 W N 2.222 123.427 121.300 -0.157 0.000 2.331 115 W HA 0.383 5.043 4.660 -0.001 0.000 0.306 115 W C -0.221 176.299 176.519 0.001 0.000 1.162 115 W CA -0.959 56.413 57.345 0.046 0.000 1.232 115 W CB 0.702 30.178 29.460 0.026 0.000 1.235 115 W HN -0.428 nan 8.180 nan 0.000 0.479 116 I N 3.989 124.790 120.570 0.385 0.000 2.354 116 I HA 0.067 4.236 4.170 -0.001 0.000 0.292 116 I C -0.006 176.260 176.117 0.247 0.000 0.989 116 I CA -1.200 60.239 61.300 0.231 0.000 1.188 116 I CB 1.039 39.142 38.000 0.171 0.000 1.342 116 I HN 0.381 nan 8.210 nan 0.000 0.457 117 N N 6.161 124.963 118.700 0.171 0.000 2.406 117 N HA 0.171 4.910 4.740 -0.001 0.000 0.265 117 N C -0.996 174.595 175.510 0.136 0.000 1.203 117 N CA 0.100 53.245 53.050 0.159 0.000 0.945 117 N CB 0.443 39.007 38.487 0.128 0.000 1.165 117 N HN 0.322 nan 8.380 nan 0.000 0.485 118 V N 4.602 124.606 119.914 0.150 0.000 2.357 118 V HA 0.338 4.458 4.120 -0.001 0.000 0.284 118 V C 0.725 176.869 176.094 0.083 0.000 1.018 118 V CA -0.965 61.403 62.300 0.112 0.000 0.841 118 V CB 1.051 32.950 31.823 0.127 0.000 0.991 118 V HN 0.570 nan 8.190 nan 0.000 0.437 119 R N 3.127 123.659 120.500 0.054 0.000 2.522 119 R HA 0.348 4.688 4.340 -0.001 0.000 0.284 119 R C 1.322 177.643 176.300 0.036 0.000 1.032 119 R CA 1.306 57.424 56.100 0.030 0.000 1.049 119 R CB 0.195 30.498 30.300 0.006 0.000 0.956 119 R HN 1.141 nan 8.270 nan 0.000 0.422 120 G N 2.156 110.979 108.800 0.038 0.000 2.199 120 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.254 120 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.254 120 G C 0.098 175.087 174.900 0.148 0.000 0.982 120 G CA 0.134 45.274 45.100 0.066 0.000 0.632 120 G HN 0.917 nan 8.290 nan 0.000 0.529 121 A N 1.776 124.629 122.820 0.055 0.000 2.492 121 A HA 0.624 4.943 4.320 -0.001 0.000 0.254 121 A C 0.605 178.093 177.584 -0.159 0.000 1.091 121 A CA 1.083 53.068 52.037 -0.087 0.000 0.768 121 A CB -0.057 18.868 19.000 -0.124 0.000 1.028 121 A HN 1.811 nan 8.150 nan 0.000 0.498 122 H N 0.439 119.294 119.070 -0.358 0.000 2.863 122 H HA 0.132 4.688 4.556 -0.001 0.000 0.274 122 H C 0.729 176.092 175.328 0.057 0.000 1.457 122 H CA -0.263 55.693 56.048 -0.153 0.000 1.151 122 H CB -0.332 29.431 29.762 0.002 0.000 1.844 122 H HN 0.774 nan 8.280 nan 0.000 0.562 123 W N 1.450 122.823 121.300 0.122 0.000 2.325 123 W HA -0.050 4.609 4.660 -0.000 0.000 0.299 123 W C 1.088 177.583 176.519 -0.040 0.000 1.215 123 W CA 1.152 58.560 57.345 0.105 0.000 1.244 123 W CB -0.758 28.760 29.460 0.097 0.000 1.140 123 W HN 0.503 nan 8.180 nan 0.000 0.523 124 R N 0.598 120.336 120.500 -1.269 0.000 2.115 124 R HA 0.023 4.362 4.340 -0.001 0.000 0.226 124 R C 0.813 176.726 176.300 -0.645 0.000 1.100 124 R CA 1.016 56.424 56.100 -1.153 0.000 0.980 124 R CB -0.082 29.528 30.300 -1.151 0.000 0.875 124 R HN 0.054 nan 8.270 nan 0.000 0.445 125 R N -0.129 119.928 120.500 -0.739 0.000 2.585 125 R HA 0.192 4.532 4.340 -0.001 0.000 0.278 125 R C -2.352 173.835 176.300 -0.188 0.000 1.663 125 R CA -1.445 54.443 56.100 -0.353 0.000 1.592 125 R CB 1.525 31.665 30.300 -0.266 0.000 1.200 125 R HN 0.008 nan 8.270 nan 0.000 0.611 126 P HA -0.080 nan 4.420 nan 0.000 0.226 126 P C 0.182 177.686 177.300 0.339 0.000 1.153 126 P CA 1.030 64.300 63.100 0.284 0.000 0.777 126 P CB 0.444 32.306 31.700 0.270 0.000 0.794 127 E N -1.365 118.932 120.200 0.162 0.000 2.526 127 E HA 0.424 4.773 4.350 -0.001 0.000 0.208 127 E C 0.850 177.514 176.600 0.107 0.000 0.997 127 E CA 0.124 56.625 56.400 0.169 0.000 0.961 127 E CB 0.450 30.226 29.700 0.127 0.000 1.030 127 E HN 0.106 nan 8.360 nan 0.000 0.483 128 G N 0.336 109.167 108.800 0.052 0.000 2.343 128 G HA2 0.044 4.003 3.960 -0.001 0.000 0.562 128 G HA3 0.044 4.003 3.960 -0.001 0.000 0.562 128 G C 0.536 175.441 174.900 0.009 0.000 1.269 128 G CA -0.443 44.678 45.100 0.035 0.000 1.011 128 G HN 0.162 nan 8.290 nan 0.000 0.498 129 A N -0.561 122.269 122.820 0.016 0.000 2.070 129 A HA 0.098 4.417 4.320 -0.001 0.000 0.220 129 A C 2.055 179.637 177.584 -0.004 0.000 1.159 129 A CA 1.995 54.037 52.037 0.008 0.000 0.656 129 A CB -0.243 18.765 19.000 0.013 0.000 0.800 129 A HN 0.594 nan 8.150 nan 0.000 0.453 130 R N 0.205 120.706 120.500 0.001 0.000 2.391 130 R HA 0.115 4.454 4.340 -0.001 0.000 0.249 130 R C 0.086 176.381 176.300 -0.010 0.000 0.957 130 R CA 0.514 56.612 56.100 -0.003 0.000 1.093 130 R CB 0.054 30.356 30.300 0.003 0.000 1.156 130 R HN 0.578 nan 8.270 nan 0.000 0.526 131 S N 0.066 115.755 115.700 -0.018 0.000 2.600 131 S HA 0.551 5.021 4.470 -0.001 0.000 0.300 131 S C -0.851 173.715 174.600 -0.058 0.000 1.087 131 S CA -0.937 57.247 58.200 -0.027 0.000 0.965 131 S CB 2.410 65.605 63.200 -0.007 0.000 1.089 131 S HN 0.190 nan 8.310 nan 0.000 0.496 132 D N -0.935 119.428 120.400 -0.062 0.000 2.643 132 D HA 0.403 5.043 4.640 -0.001 0.000 0.283 132 D C 0.144 176.399 176.300 -0.075 0.000 1.242 132 D CA -0.833 53.115 54.000 -0.085 0.000 0.863 132 D CB 0.396 41.154 40.800 -0.070 0.000 1.382 132 D HN 0.683 nan 8.370 nan 0.000 0.444 133 I N -2.463 118.063 120.570 -0.073 0.000 3.927 133 I HA 0.259 4.428 4.170 -0.001 0.000 0.332 133 I C 1.240 177.342 176.117 -0.026 0.000 1.485 133 I CA -0.129 61.144 61.300 -0.045 0.000 1.131 133 I CB 0.254 38.262 38.000 0.013 0.000 1.092 133 I HN 0.475 nan 8.210 nan 0.000 0.410 134 T N -1.547 112.989 114.554 -0.030 0.000 2.881 134 T HA -0.048 4.301 4.350 -0.001 0.000 0.270 134 T C 1.649 176.339 174.700 -0.017 0.000 1.068 134 T CA 1.352 63.446 62.100 -0.011 0.000 1.131 134 T CB -0.614 68.247 68.868 -0.012 0.000 0.871 134 T HN 0.511 nan 8.240 nan 0.000 0.479 135 G N 1.628 110.400 108.800 -0.046 0.000 3.189 135 G HA2 0.220 4.179 3.960 -0.001 0.000 0.225 135 G HA3 0.220 4.179 3.960 -0.001 0.000 0.225 135 G C 0.828 175.671 174.900 -0.095 0.000 1.159 135 G CA -0.689 44.377 45.100 -0.055 0.000 0.763 135 G HN 0.682 nan 8.290 nan 0.000 0.549 136 R N -0.183 120.251 120.500 -0.110 0.000 2.701 136 R HA 0.242 4.581 4.340 -0.001 0.000 0.281 136 R C -2.299 174.019 176.300 0.030 0.000 1.367 136 R CA -1.144 54.860 56.100 -0.159 0.000 1.510 136 R CB 0.927 30.811 30.300 -0.692 0.000 1.306 136 R HN -0.019 nan 8.270 nan 0.000 0.682 137 P HA -0.147 nan 4.420 nan 0.000 0.221 137 P C 0.114 177.481 177.300 0.112 0.000 1.150 137 P CA 1.171 64.333 63.100 0.103 0.000 0.800 137 P CB 0.189 31.938 31.700 0.082 0.000 0.787 138 N N -1.548 117.228 118.700 0.126 0.000 2.280 138 N HA -0.047 4.693 4.740 -0.001 0.000 0.192 138 N C 0.557 176.120 175.510 0.088 0.000 1.109 138 N CA -0.008 53.090 53.050 0.080 0.000 0.855 138 N CB -1.151 37.352 38.487 0.027 0.000 0.974 138 N HN 0.279 nan 8.380 nan 0.000 0.482 139 H N 1.228 120.289 119.070 -0.016 0.000 2.547 139 H HA 0.232 4.788 4.556 -0.001 0.000 0.362 139 H C -2.106 173.221 175.328 -0.002 0.000 1.181 139 H CA -1.568 54.469 56.048 -0.018 0.000 1.376 139 H CB 1.139 30.899 29.762 -0.002 0.000 1.488 139 H HN 0.114 nan 8.280 nan 0.000 0.583 140 P HA -0.057 nan 4.420 nan 0.000 0.271 140 P C 0.046 177.393 177.300 0.079 0.000 1.216 140 P CA -0.033 63.092 63.100 0.041 0.000 0.776 140 P CB 0.968 32.692 31.700 0.040 0.000 0.881 141 V N 4.561 124.481 119.914 0.009 0.000 2.655 141 V HA 0.164 4.283 4.120 -0.001 0.000 0.300 141 V C 0.455 176.584 176.094 0.058 0.000 1.044 141 V CA 0.298 62.609 62.300 0.019 0.000 1.095 141 V CB 0.690 32.398 31.823 -0.191 0.000 0.952 141 V HN 0.464 nan 8.190 nan 0.000 0.485 142 V N 3.986 123.973 119.914 0.121 0.000 3.145 142 V HA 0.672 4.791 4.120 -0.001 0.000 0.311 142 V C 0.480 176.678 176.094 0.173 0.000 1.238 142 V CA -0.608 61.752 62.300 0.101 0.000 1.066 142 V CB 1.488 33.331 31.823 0.033 0.000 1.144 142 V HN 0.955 nan 8.190 nan 0.000 0.465 143 H N -1.325 117.883 119.070 0.229 0.000 2.776 143 H HA -0.126 4.429 4.556 -0.001 0.000 0.300 143 H C -0.000 175.473 175.328 0.242 0.000 1.161 143 H CA 0.994 57.186 56.048 0.241 0.000 1.147 143 H CB -1.640 28.284 29.762 0.271 0.000 1.366 143 H HN 1.024 nan 8.280 nan 0.000 0.397 144 V N -0.749 119.333 119.914 0.280 0.000 2.435 144 V HA 0.663 4.783 4.120 -0.001 0.000 0.290 144 V C 0.912 177.239 176.094 0.389 0.000 1.030 144 V CA -0.262 62.176 62.300 0.231 0.000 0.881 144 V CB 2.171 34.030 31.823 0.059 0.000 0.983 144 V HN 0.376 nan 8.190 nan 0.000 0.445 145 S N 3.457 119.299 115.700 0.237 0.000 2.686 145 S HA 0.303 4.773 4.470 -0.001 0.000 0.270 145 S C 0.488 174.744 174.600 -0.575 0.000 1.194 145 S CA -0.050 58.229 58.200 0.130 0.000 0.990 145 S CB 0.846 64.080 63.200 0.057 0.000 1.029 145 S HN 1.033 nan 8.310 nan 0.000 0.560 146 W N 1.429 121.755 121.300 -1.624 0.000 2.358 146 W HA -0.098 4.561 4.660 -0.001 0.000 0.303 146 W C 1.842 177.878 176.519 -0.805 0.000 1.208 146 W CA 1.789 58.065 57.345 -1.781 0.000 1.274 146 W CB -0.510 27.929 29.460 -1.703 0.000 1.138 146 W HN 0.694 nan 8.180 nan 0.000 0.515 147 N N 0.697 119.246 118.700 -0.253 0.000 2.120 147 N HA -0.198 4.542 4.740 -0.001 0.000 0.188 147 N C 1.141 176.533 175.510 -0.197 0.000 1.024 147 N CA 2.004 54.965 53.050 -0.148 0.000 0.852 147 N CB -0.913 37.604 38.487 0.050 0.000 1.003 147 N HN 0.222 nan 8.380 nan 0.000 0.424 148 D N 0.987 121.322 120.400 -0.107 0.000 2.117 148 D HA -0.061 4.579 4.640 -0.001 0.000 0.197 148 D C 1.875 177.993 176.300 -0.303 0.000 0.987 148 D CA 1.121 55.138 54.000 0.029 0.000 0.829 148 D CB -0.352 40.580 40.800 0.220 0.000 0.961 148 D HN 0.223 nan 8.370 nan 0.000 0.460 149 A N 0.747 123.149 122.820 -0.697 0.000 1.877 149 A HA -0.184 4.135 4.320 -0.001 0.000 0.216 149 A C 2.397 179.470 177.584 -0.851 0.000 1.186 149 A CA 2.891 54.140 52.037 -1.314 0.000 0.620 149 A CB -1.155 17.039 19.000 -1.344 0.000 0.822 149 A HN 0.400 nan 8.150 nan 0.000 0.443 150 T N -2.290 111.766 114.554 -0.830 0.000 2.867 150 T HA 0.117 4.466 4.350 -0.001 0.000 0.268 150 T C 1.907 176.356 174.700 -0.419 0.000 1.057 150 T CA 1.649 63.342 62.100 -0.679 0.000 1.136 150 T CB -0.519 67.753 68.868 -0.993 0.000 0.874 150 T HN 0.556 nan 8.240 nan 0.000 0.466 151 A N 0.690 123.281 122.820 -0.381 0.000 1.873 151 A HA 0.016 4.335 4.320 -0.001 0.000 0.215 151 A C 2.174 179.455 177.584 -0.505 0.000 1.186 151 A CA 1.564 53.436 52.037 -0.276 0.000 0.616 151 A CB -1.389 17.511 19.000 -0.167 0.000 0.823 151 A HN 0.639 nan 8.150 nan 0.000 0.442 152 Y N 0.777 120.510 120.300 -0.944 0.000 2.114 152 Y HA -0.189 4.360 4.550 -0.001 0.000 0.282 152 Y C 2.625 178.260 175.900 -0.441 0.000 1.165 152 Y CA 1.682 59.007 58.100 -1.293 0.000 1.148 152 Y CB -0.512 37.569 38.460 -0.631 0.000 0.972 152 Y HN 0.315 nan 8.280 nan 0.000 0.504 153 A N 0.590 123.330 122.820 -0.134 0.000 1.877 153 A HA -0.223 4.096 4.320 -0.001 0.000 0.216 153 A C 2.367 179.852 177.584 -0.165 0.000 1.186 153 A CA 1.879 53.891 52.037 -0.042 0.000 0.620 153 A CB -0.925 18.097 19.000 0.037 0.000 0.822 153 A HN 0.572 nan 8.150 nan 0.000 0.443 154 R N -1.762 118.637 120.500 -0.167 0.000 2.096 154 R HA -0.244 4.096 4.340 -0.001 0.000 0.240 154 R C 2.029 178.264 176.300 -0.109 0.000 1.139 154 R CA 2.173 58.203 56.100 -0.116 0.000 0.952 154 R CB -0.501 29.748 30.300 -0.084 0.000 0.854 154 R HN 0.725 nan 8.270 nan 0.000 0.436 155 W N 0.576 121.685 121.300 -0.318 0.000 2.363 155 W HA -0.091 4.569 4.660 -0.000 0.000 0.296 155 W C 1.784 178.109 176.519 -0.324 0.000 1.212 155 W CA 1.745 58.930 57.345 -0.266 0.000 1.260 155 W CB -0.264 29.076 29.460 -0.201 0.000 1.131 155 W HN 0.204 nan 8.180 nan 0.000 0.530 156 A N 0.132 122.669 122.820 -0.472 0.000 2.235 156 A HA 0.314 4.633 4.320 -0.001 0.000 0.208 156 A C 1.672 179.012 177.584 -0.406 0.000 1.172 156 A CA 1.123 52.806 52.037 -0.590 0.000 0.786 156 A CB -1.237 17.426 19.000 -0.561 0.000 0.804 156 A HN 0.964 nan 8.150 nan 0.000 0.479 157 G N -0.900 107.707 108.800 -0.322 0.000 2.204 157 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.244 157 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.244 157 G C 0.020 174.839 174.900 -0.135 0.000 1.062 157 G CA 0.695 45.664 45.100 -0.218 0.000 0.798 157 G HN 0.644 nan 8.290 nan 0.000 0.496 158 K N -1.312 119.026 120.400 -0.103 0.000 2.175 158 K HA 0.841 5.161 4.320 -0.001 0.000 0.257 158 K C 0.344 176.941 176.600 -0.005 0.000 1.026 158 K CA -0.950 55.322 56.287 -0.026 0.000 0.866 158 K CB 1.404 33.919 32.500 0.025 0.000 1.474 158 K HN 0.481 nan 8.250 nan 0.000 0.442 159 R N -0.442 120.088 120.500 0.051 0.000 2.795 159 R HA 0.498 4.838 4.340 -0.001 0.000 0.268 159 R C -1.172 175.190 176.300 0.102 0.000 1.041 159 R CA -0.997 55.128 56.100 0.043 0.000 0.927 159 R CB 0.418 30.746 30.300 0.048 0.000 1.235 159 R HN 0.294 nan 8.270 nan 0.000 0.463 160 L N 1.746 123.010 121.223 0.067 0.000 2.436 160 L HA 0.446 4.785 4.340 -0.001 0.000 0.265 160 L C -1.819 175.165 176.870 0.190 0.000 1.168 160 L CA -2.088 52.838 54.840 0.143 0.000 0.815 160 L CB 0.821 42.917 42.059 0.061 0.000 1.109 160 L HN 0.500 nan 8.230 nan 0.000 0.462 161 P HA 0.097 nan 4.420 nan 0.000 0.274 161 P C -0.505 176.926 177.300 0.219 0.000 1.231 161 P CA -0.411 62.833 63.100 0.240 0.000 0.790 161 P CB 0.661 32.575 31.700 0.357 0.000 0.951 162 T N -2.342 112.289 114.554 0.129 0.000 2.813 162 T HA 0.050 4.399 4.350 -0.001 0.000 0.297 162 T C 1.259 176.093 174.700 0.222 0.000 1.036 162 T CA -0.275 61.910 62.100 0.141 0.000 1.044 162 T CB 0.553 69.430 68.868 0.015 0.000 0.993 162 T HN 0.533 nan 8.240 nan 0.000 0.535 163 E N 0.702 121.050 120.200 0.247 0.000 2.085 163 E HA -0.173 4.176 4.350 -0.001 0.000 0.194 163 E C 2.336 179.162 176.600 0.378 0.000 0.994 163 E CA 1.186 57.778 56.400 0.320 0.000 0.801 163 E CB -0.572 29.319 29.700 0.319 0.000 0.743 163 E HN 0.821 nan 8.360 nan 0.000 0.453 164 A N 1.019 124.019 122.820 0.299 0.000 1.902 164 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 164 A C 1.931 179.683 177.584 0.280 0.000 1.181 164 A CA 1.735 53.977 52.037 0.342 0.000 0.623 164 A CB -0.515 18.626 19.000 0.234 0.000 0.818 164 A HN 0.328 nan 8.150 nan 0.000 0.443 165 E N -1.739 118.496 120.200 0.059 0.000 2.051 165 E HA -0.237 4.112 4.350 -0.001 0.000 0.192 165 E C 1.770 178.503 176.600 0.221 0.000 0.991 165 E CA 1.232 57.537 56.400 -0.159 0.000 0.799 165 E CB -0.256 29.073 29.700 -0.619 0.000 0.748 165 E HN 0.825 nan 8.360 nan 0.000 0.449 166 W N 2.082 123.471 121.300 0.148 0.000 2.317 166 W HA -0.259 4.401 4.660 -0.000 0.000 0.318 166 W C 2.306 178.937 176.519 0.188 0.000 1.227 166 W CA 2.166 59.634 57.345 0.204 0.000 1.269 166 W CB -0.033 29.555 29.460 0.213 0.000 1.155 166 W HN 0.059 nan 8.180 nan 0.000 0.484 167 E N -1.244 119.324 120.200 0.614 0.000 2.051 167 E HA -0.350 4.000 4.350 -0.001 0.000 0.192 167 E C 2.172 178.806 176.600 0.057 0.000 0.991 167 E CA 1.667 58.334 56.400 0.445 0.000 0.799 167 E CB -0.822 29.206 29.700 0.548 0.000 0.748 167 E HN 0.445 nan 8.360 nan 0.000 0.449 168 Y N 0.786 120.887 120.300 -0.333 0.000 2.114 168 Y HA -0.309 4.240 4.550 -0.001 0.000 0.282 168 Y C 2.014 177.791 175.900 -0.207 0.000 1.165 168 Y CA 2.192 59.840 58.100 -0.753 0.000 1.148 168 Y CB -0.624 37.293 38.460 -0.906 0.000 0.972 168 Y HN 0.133 nan 8.280 nan 0.000 0.504 169 A N 0.471 123.254 122.820 -0.063 0.000 1.898 169 A HA -0.051 4.269 4.320 -0.001 0.000 0.216 169 A C 2.407 179.872 177.584 -0.197 0.000 1.181 169 A CA 1.783 53.764 52.037 -0.094 0.000 0.620 169 A CB -1.488 17.513 19.000 0.001 0.000 0.819 169 A HN 0.659 nan 8.150 nan 0.000 0.442 170 A N -0.258 122.337 122.820 -0.374 0.000 1.969 170 A HA -0.111 4.209 4.320 -0.001 0.000 0.218 170 A C 2.187 179.619 177.584 -0.254 0.000 1.169 170 A CA 1.279 53.058 52.037 -0.430 0.000 0.635 170 A CB -0.422 18.158 19.000 -0.699 0.000 0.810 170 A HN 0.528 nan 8.150 nan 0.000 0.445 171 R N -1.262 119.103 120.500 -0.226 0.000 2.189 171 R HA 0.018 4.358 4.340 -0.001 0.000 0.223 171 R C 1.371 177.472 176.300 -0.332 0.000 1.092 171 R CA 0.608 56.580 56.100 -0.214 0.000 0.989 171 R CB -0.388 29.821 30.300 -0.153 0.000 0.876 171 R HN 0.718 nan 8.270 nan 0.000 0.457 172 G N -0.134 108.353 108.800 -0.523 0.000 2.221 172 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.265 172 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.265 172 G C 0.721 175.029 174.900 -0.987 0.000 1.041 172 G CA 0.573 45.147 45.100 -0.877 0.000 0.807 172 G HN 0.618 nan 8.290 nan 0.000 0.502 173 G N -2.066 106.196 108.800 -0.897 0.000 2.179 173 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.260 173 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.260 173 G C 0.402 175.168 174.900 -0.224 0.000 0.977 173 G CA 0.599 45.434 45.100 -0.443 0.000 0.641 173 G HN 1.363 nan 8.290 nan 0.000 0.533 174 L N 0.574 121.668 121.223 -0.215 0.000 2.343 174 L HA 0.751 5.091 4.340 -0.001 0.000 0.275 174 L C 0.764 177.597 176.870 -0.061 0.000 1.056 174 L CA -0.476 54.297 54.840 -0.112 0.000 0.804 174 L CB 1.775 43.773 42.059 -0.102 0.000 1.203 174 L HN 0.262 nan 8.230 nan 0.000 0.440 175 A N 1.207 124.013 122.820 -0.024 0.000 2.276 175 A HA 0.571 4.891 4.320 -0.001 0.000 0.316 175 A C 0.856 178.438 177.584 -0.004 0.000 1.229 175 A CA 0.176 52.217 52.037 0.006 0.000 0.851 175 A CB 0.728 19.732 19.000 0.006 0.000 1.165 175 A HN 1.041 nan 8.150 nan 0.000 0.513 176 G N 2.033 110.838 108.800 0.008 0.000 2.258 176 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.274 176 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.274 176 G C 0.350 175.273 174.900 0.038 0.000 1.021 176 G CA 0.373 45.461 45.100 -0.020 0.000 0.798 176 G HN 0.753 nan 8.290 nan 0.000 0.507 177 R N -0.725 119.809 120.500 0.057 0.000 2.577 177 R HA 0.417 4.756 4.340 -0.001 0.000 0.269 177 R C 1.604 177.941 176.300 0.062 0.000 1.084 177 R CA -0.467 55.679 56.100 0.078 0.000 1.163 177 R CB 0.284 30.556 30.300 -0.046 0.000 1.100 177 R HN 0.356 nan 8.270 nan 0.000 0.547 178 R N 0.122 120.509 120.500 -0.187 0.000 2.073 178 R HA -0.054 4.285 4.340 -0.001 0.000 0.229 178 R C -0.072 175.720 176.300 -0.846 0.000 1.120 178 R CA 1.519 57.197 56.100 -0.703 0.000 0.967 178 R CB 0.218 29.732 30.300 -1.309 0.000 0.862 178 R HN 0.439 nan 8.270 nan 0.000 0.436 179 Y N -2.552 117.482 120.300 -0.442 0.000 2.659 179 Y HA 0.459 5.009 4.550 -0.001 0.000 0.333 179 Y C 0.947 176.409 175.900 -0.731 0.000 1.064 179 Y CA -0.660 56.986 58.100 -0.757 0.000 1.141 179 Y CB 0.911 38.483 38.460 -1.480 0.000 1.316 179 Y HN -0.116 nan 8.280 nan 0.000 0.509 180 A N 0.271 122.739 122.820 -0.586 0.000 1.986 180 A HA -0.205 4.115 4.320 -0.001 0.000 0.220 180 A C 1.302 178.800 177.584 -0.143 0.000 1.171 180 A CA 2.212 54.089 52.037 -0.267 0.000 0.640 180 A CB -1.075 17.891 19.000 -0.056 0.000 0.811 180 A HN 0.973 nan 8.150 nan 0.000 0.451 181 W N -3.006 118.311 121.300 0.027 0.000 3.103 181 W HA 0.527 5.186 4.660 -0.001 0.000 0.325 181 W C 0.616 177.140 176.519 0.009 0.000 1.170 181 W CA 0.040 57.375 57.345 -0.017 0.000 1.712 181 W CB -0.285 29.153 29.460 -0.036 0.000 1.068 181 W HN 0.567 nan 8.180 nan 0.000 0.592 182 G N 0.588 109.305 108.800 -0.137 0.000 2.332 182 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.265 182 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.265 182 G C -0.590 174.269 174.900 -0.069 0.000 1.329 182 G CA 0.061 45.153 45.100 -0.012 0.000 0.949 182 G HN -0.103 nan 8.290 nan 0.000 0.476 183 D N 0.263 120.678 120.400 0.024 0.000 2.366 183 D HA 0.157 4.797 4.640 -0.001 0.000 0.205 183 D C 0.692 177.046 176.300 0.090 0.000 1.022 183 D CA 0.582 54.545 54.000 -0.062 0.000 0.868 183 D CB 0.811 41.594 40.800 -0.028 0.000 0.953 183 D HN 0.433 nan 8.370 nan 0.000 0.514 184 E N 0.783 121.130 120.200 0.245 0.000 2.197 184 E HA 0.120 4.470 4.350 -0.001 0.000 0.281 184 E C 0.705 177.552 176.600 0.410 0.000 0.995 184 E CA -0.447 56.108 56.400 0.257 0.000 0.808 184 E CB 1.519 31.304 29.700 0.141 0.000 1.093 184 E HN -0.160 nan 8.360 nan 0.000 0.394 185 L N 3.885 125.260 121.223 0.253 0.000 1.994 185 L HA -0.061 4.278 4.340 -0.001 0.000 0.208 185 L C 1.003 177.762 176.870 -0.186 0.000 1.071 185 L CA 1.926 56.757 54.840 -0.016 0.000 0.745 185 L CB -0.051 41.958 42.059 -0.084 0.000 0.892 185 L HN 0.644 nan 8.230 nan 0.000 0.431 186 T N -1.551 112.812 114.554 -0.318 0.000 3.250 186 T HA 0.518 4.867 4.350 -0.001 0.000 0.391 186 T C -2.651 171.867 174.700 -0.304 0.000 1.502 186 T CA -1.865 59.922 62.100 -0.521 0.000 1.320 186 T CB 0.500 68.837 68.868 -0.885 0.000 1.102 186 T HN 0.011 nan 8.240 nan 0.000 0.610 187 P HA 0.412 nan 4.420 nan 0.000 0.276 187 P C 1.186 178.395 177.300 -0.151 0.000 1.243 187 P CA 0.643 63.667 63.100 -0.127 0.000 0.768 187 P CB 0.614 32.272 31.700 -0.069 0.000 0.856 188 G N 2.764 111.498 108.800 -0.111 0.000 2.162 188 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.260 188 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.260 188 G C 0.856 175.686 174.900 -0.116 0.000 0.976 188 G CA 0.400 45.441 45.100 -0.098 0.000 0.655 188 G HN 1.062 nan 8.290 nan 0.000 0.533 189 G N -1.614 107.088 108.800 -0.164 0.000 2.179 189 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.260 189 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.260 189 G C 0.409 175.162 174.900 -0.245 0.000 0.977 189 G CA 0.943 45.931 45.100 -0.187 0.000 0.641 189 G HN 1.017 nan 8.290 nan 0.000 0.533 190 R N -0.715 119.627 120.500 -0.264 0.000 2.474 190 R HA 0.476 4.815 4.340 -0.001 0.000 0.295 190 R C -0.211 175.862 176.300 -0.378 0.000 0.980 190 R CA -1.025 54.943 56.100 -0.220 0.000 0.934 190 R CB 0.597 30.816 30.300 -0.134 0.000 1.101 190 R HN 0.242 nan 8.270 nan 0.000 0.469 191 W N 2.113 123.333 121.300 -0.134 0.000 2.238 191 W HA 0.219 4.878 4.660 -0.000 0.000 0.321 191 W C 1.347 177.660 176.519 -0.344 0.000 1.293 191 W CA -0.211 57.002 57.345 -0.220 0.000 1.204 191 W CB 0.670 30.064 29.460 -0.110 0.000 1.167 191 W HN 0.269 nan 8.180 nan 0.000 0.553 192 R N 2.390 122.620 120.500 -0.450 0.000 2.476 192 R HA 0.211 4.550 4.340 -0.001 0.000 0.276 192 R C -0.319 175.374 176.300 -1.011 0.000 0.941 192 R CA 0.051 55.658 56.100 -0.821 0.000 1.088 192 R CB -0.464 28.880 30.300 -1.593 0.000 1.216 192 R HN 0.534 nan 8.270 nan 0.000 0.533 193 C N -1.673 117.006 119.300 -1.035 0.000 3.311 193 C HA 0.501 4.961 4.460 -0.001 0.000 0.325 193 C C -0.895 173.672 174.990 -0.705 0.000 1.352 193 C CA -1.462 57.034 59.018 -0.871 0.000 1.308 193 C CB 1.513 29.138 27.740 -0.192 0.000 1.619 193 C HN 0.196 nan 8.230 nan 0.000 0.469 194 N N 1.171 119.691 118.700 -0.300 0.000 2.589 194 N HA 0.653 5.393 4.740 -0.001 0.000 0.232 194 N C -0.297 175.168 175.510 -0.074 0.000 1.015 194 N CA -0.427 52.593 53.050 -0.050 0.000 0.931 194 N CB -0.017 38.566 38.487 0.160 0.000 1.150 194 N HN 0.849 nan 8.380 nan 0.000 0.512 195 I N -1.739 118.710 120.570 -0.201 0.000 3.971 195 I HA 0.697 4.866 4.170 -0.001 0.000 0.253 195 I C -0.690 175.370 176.117 -0.095 0.000 1.103 195 I CA -1.076 60.134 61.300 -0.150 0.000 1.343 195 I CB 1.139 38.945 38.000 -0.324 0.000 1.364 195 I HN 0.154 nan 8.210 nan 0.000 0.444 196 W N 1.818 122.994 121.300 -0.207 0.000 2.520 196 W HA 0.571 5.230 4.660 -0.001 0.000 0.323 196 W C -1.612 174.747 176.519 -0.266 0.000 1.062 196 W CA -0.219 57.018 57.345 -0.180 0.000 1.215 196 W CB 1.933 31.366 29.460 -0.046 0.000 1.340 196 W HN 0.556 nan 8.180 nan 0.000 0.516 197 Q N 2.547 122.102 119.800 -0.407 0.000 2.375 197 Q HA 0.719 5.059 4.340 -0.001 0.000 0.271 197 Q C 0.170 175.985 176.000 -0.309 0.000 1.074 197 Q CA 0.036 55.683 55.803 -0.261 0.000 0.808 197 Q CB 2.131 30.702 28.738 -0.279 0.000 1.327 197 Q HN 0.837 nan 8.270 nan 0.000 0.441 198 G N 0.902 109.643 108.800 -0.098 0.000 2.582 198 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.222 198 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.222 198 G C -1.177 173.857 174.900 0.222 0.000 1.311 198 G CA -0.850 44.275 45.100 0.041 0.000 0.915 198 G HN 0.609 nan 8.290 nan 0.000 0.528 199 R N 0.116 120.800 120.500 0.306 0.000 2.419 199 R HA 0.456 4.796 4.340 -0.001 0.000 0.305 199 R C 0.174 176.682 176.300 0.347 0.000 1.242 199 R CA -0.559 55.728 56.100 0.311 0.000 1.105 199 R CB -0.494 29.951 30.300 0.243 0.000 1.116 199 R HN 0.513 nan 8.270 nan 0.000 0.523 200 F N 6.576 126.502 119.950 -0.039 0.000 2.518 200 F HA 0.216 4.743 4.527 0.000 0.000 0.359 200 F C -1.423 174.045 175.800 -0.552 0.000 1.118 200 F CA -1.757 55.845 58.000 -0.664 0.000 1.287 200 F CB 1.075 39.384 39.000 -1.152 0.000 1.132 200 F HN 0.483 nan 8.300 nan 0.000 0.587 201 P HA 0.148 nan 4.420 nan 0.000 0.259 201 P C -0.256 176.794 177.300 -0.417 0.000 1.530 201 P CA 0.681 62.710 63.100 -1.786 0.000 1.022 201 P CB -0.106 30.433 31.700 -1.935 0.000 1.514 202 H N -1.388 117.719 119.070 0.061 0.000 2.439 202 H HA 0.204 4.760 4.556 -0.000 0.000 0.299 202 H C 0.360 175.850 175.328 0.269 0.000 1.033 202 H CA 0.256 56.420 56.048 0.193 0.000 1.348 202 H CB 0.641 30.454 29.762 0.085 0.000 1.449 202 H HN -0.143 nan 8.280 nan 0.000 0.544 203 V N 1.798 121.977 119.914 0.443 0.000 2.483 203 V HA 0.210 4.330 4.120 -0.001 0.000 0.297 203 V C -0.707 175.477 176.094 0.150 0.000 1.027 203 V CA -1.016 61.432 62.300 0.248 0.000 0.855 203 V CB 1.680 33.594 31.823 0.153 0.000 0.995 203 V HN 0.333 nan 8.190 nan 0.000 0.424 204 N N 2.586 121.103 118.700 -0.304 0.000 2.518 204 N HA 0.191 4.931 4.740 -0.001 0.000 0.254 204 N C 1.080 176.279 175.510 -0.519 0.000 0.979 204 N CA 0.117 52.614 53.050 -0.923 0.000 0.930 204 N CB 2.158 39.699 38.487 -1.577 0.000 1.152 204 N HN 0.788 nan 8.380 nan 0.000 0.505 205 T N 0.774 115.082 114.554 -0.409 0.000 3.007 205 T HA 0.025 4.375 4.350 -0.001 0.000 0.270 205 T C 1.033 175.565 174.700 -0.281 0.000 1.107 205 T CA 0.683 62.628 62.100 -0.259 0.000 1.118 205 T CB -0.299 68.466 68.868 -0.172 0.000 0.889 205 T HN 0.765 nan 8.240 nan 0.000 0.506 206 A N 0.853 123.442 122.820 -0.386 0.000 2.822 206 A HA -0.251 4.069 4.320 -0.001 0.000 0.287 206 A C 1.136 178.535 177.584 -0.307 0.000 1.479 206 A CA 1.262 53.087 52.037 -0.352 0.000 0.779 206 A CB -2.573 16.254 19.000 -0.288 0.000 1.022 206 A HN 0.706 nan 8.150 nan 0.000 0.532 207 E N -0.151 119.849 120.200 -0.334 0.000 2.110 207 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 207 E C 1.490 177.907 176.600 -0.305 0.000 0.988 207 E CA 1.281 57.533 56.400 -0.247 0.000 0.804 207 E CB -0.146 29.467 29.700 -0.144 0.000 0.745 207 E HN 0.980 nan 8.360 nan 0.000 0.458 208 D N -1.285 118.749 120.400 -0.610 0.000 2.363 208 D HA -0.005 4.634 4.640 -0.001 0.000 0.226 208 D C 1.196 177.462 176.300 -0.057 0.000 1.020 208 D CA 0.859 54.622 54.000 -0.394 0.000 0.892 208 D CB 0.307 40.715 40.800 -0.653 0.000 0.900 208 D HN 0.232 nan 8.370 nan 0.000 0.531 209 G N -0.866 107.797 108.800 -0.227 0.000 2.184 209 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.206 209 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.206 209 G C -0.130 174.295 174.900 -0.791 0.000 0.995 209 G CA -0.111 44.729 45.100 -0.434 0.000 0.651 209 G HN 0.550 nan 8.290 nan 0.000 0.511 210 H N -1.081 117.890 119.070 -0.164 0.000 2.954 210 H HA 0.442 4.998 4.556 -0.001 0.000 0.361 210 H C 0.612 175.796 175.328 -0.239 0.000 1.122 210 H CA -0.109 55.836 56.048 -0.171 0.000 1.217 210 H CB 1.935 31.622 29.762 -0.126 0.000 1.776 210 H HN 0.162 nan 8.280 nan 0.000 0.533 211 L N 2.526 123.653 121.223 -0.161 0.000 2.071 211 L HA -0.005 4.335 4.340 -0.001 0.000 0.201 211 L C 1.230 177.870 176.870 -0.384 0.000 1.076 211 L CA 1.534 56.213 54.840 -0.268 0.000 0.755 211 L CB -0.190 41.729 42.059 -0.232 0.000 0.915 211 L HN 0.619 nan 8.230 nan 0.000 0.445 212 S N -1.621 113.779 115.700 -0.499 0.000 3.006 212 S HA 0.319 4.789 4.470 -0.001 0.000 0.225 212 S C 0.487 174.574 174.600 -0.855 0.000 1.097 212 S CA 0.104 57.569 58.200 -1.226 0.000 1.260 212 S CB -0.810 61.951 63.200 -0.732 0.000 1.085 212 S HN 0.512 nan 8.310 nan 0.000 0.568 213 T N -0.022 114.240 114.554 -0.486 0.000 2.932 213 T HA 0.579 4.928 4.350 -0.001 0.000 0.312 213 T C 0.007 174.615 174.700 -0.154 0.000 1.071 213 T CA -0.308 61.742 62.100 -0.083 0.000 1.128 213 T CB 0.130 69.096 68.868 0.163 0.000 0.984 213 T HN 1.004 nan 8.240 nan 0.000 0.549 214 A N 3.389 125.970 122.820 -0.398 0.000 2.330 214 A HA 0.794 5.113 4.320 -0.001 0.000 0.329 214 A C -2.678 174.369 177.584 -0.896 0.000 1.135 214 A CA -2.528 48.985 52.037 -0.874 0.000 0.817 214 A CB 0.491 18.803 19.000 -1.147 0.000 1.269 214 A HN 0.675 nan 8.150 nan 0.000 0.469 215 P HA 0.040 nan 4.420 nan 0.000 0.266 215 P C 1.277 178.361 177.300 -0.360 0.000 1.193 215 P CA 0.264 63.002 63.100 -0.603 0.000 0.770 215 P CB 0.372 31.853 31.700 -0.365 0.000 0.836 216 V N 0.875 120.640 119.914 -0.249 0.000 2.867 216 V HA -0.141 3.978 4.120 -0.001 0.000 0.260 216 V C 1.016 176.994 176.094 -0.194 0.000 1.099 216 V CA 1.494 63.697 62.300 -0.161 0.000 1.122 216 V CB -1.113 30.634 31.823 -0.126 0.000 0.708 216 V HN 0.438 nan 8.190 nan 0.000 0.490 217 K N 1.001 121.178 120.400 -0.372 0.000 2.576 217 K HA 0.353 4.673 4.320 -0.001 0.000 0.209 217 K C 0.316 176.748 176.600 -0.280 0.000 1.049 217 K CA -0.141 55.731 56.287 -0.693 0.000 1.140 217 K CB 0.564 32.332 32.500 -1.220 0.000 0.871 217 K HN 0.477 nan 8.250 nan 0.000 0.479 218 S N 0.778 116.419 115.700 -0.099 0.000 2.585 218 S HA 0.203 4.672 4.470 -0.001 0.000 0.273 218 S C -0.180 174.519 174.600 0.164 0.000 1.339 218 S CA -0.294 57.817 58.200 -0.148 0.000 1.028 218 S CB 0.143 63.088 63.200 -0.425 0.000 0.906 218 S HN 0.296 nan 8.310 nan 0.000 0.528 219 Y N -0.517 119.881 120.300 0.163 0.000 2.916 219 Y HA -0.311 4.238 4.550 -0.001 0.000 0.465 219 Y C 0.665 176.669 175.900 0.173 0.000 1.210 219 Y CA 0.377 58.548 58.100 0.117 0.000 2.458 219 Y CB -0.763 37.717 38.460 0.033 0.000 1.246 219 Y HN 0.586 nan 8.280 nan 0.000 0.635 220 R N 2.057 122.669 120.500 0.187 0.000 2.664 220 R HA 0.542 4.882 4.340 -0.001 0.000 0.286 220 R C -2.610 173.459 176.300 -0.384 0.000 0.967 220 R CA -1.765 54.271 56.100 -0.107 0.000 0.933 220 R CB 1.187 31.415 30.300 -0.120 0.000 1.146 220 R HN 0.253 nan 8.270 nan 0.000 0.468 221 P HA 0.023 nan 4.420 nan 0.000 0.274 221 P C -1.016 176.021 177.300 -0.438 0.000 1.237 221 P CA -0.465 62.036 63.100 -0.997 0.000 0.793 221 P CB 0.560 31.405 31.700 -1.425 0.000 0.977 222 N N 0.031 118.554 118.700 -0.295 0.000 2.328 222 N HA 0.054 4.794 4.740 -0.001 0.000 0.277 222 N C 1.491 176.873 175.510 -0.214 0.000 1.286 222 N CA 0.126 53.069 53.050 -0.177 0.000 0.949 222 N CB -1.194 37.215 38.487 -0.129 0.000 1.136 222 N HN 0.436 nan 8.380 nan 0.000 0.550 223 G N -2.344 106.316 108.800 -0.234 0.000 2.559 223 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.216 223 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.216 223 G C 0.685 175.419 174.900 -0.277 0.000 1.126 223 G CA 0.451 45.390 45.100 -0.268 0.000 0.778 223 G HN 0.786 nan 8.290 nan 0.000 0.543 224 H N -1.066 117.881 119.070 -0.205 0.000 2.549 224 H HA 0.327 4.882 4.556 -0.001 0.000 0.279 224 H C 1.830 177.051 175.328 -0.178 0.000 1.018 224 H CA -0.148 55.775 56.048 -0.209 0.000 1.175 224 H CB 0.705 30.305 29.762 -0.270 0.000 1.485 224 H HN 0.341 nan 8.280 nan 0.000 0.543 225 G N 1.178 109.916 108.800 -0.103 0.000 2.160 225 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.244 225 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.244 225 G C -0.382 174.424 174.900 -0.156 0.000 1.022 225 G CA -0.219 44.787 45.100 -0.157 0.000 0.741 225 G HN 0.103 nan 8.290 nan 0.000 0.508 226 L N -0.343 120.783 121.223 -0.161 0.000 2.307 226 L HA 0.742 5.082 4.340 -0.001 0.000 0.282 226 L C 0.148 176.945 176.870 -0.121 0.000 1.051 226 L CA -0.844 53.956 54.840 -0.065 0.000 0.804 226 L CB 0.684 42.700 42.059 -0.071 0.000 1.197 226 L HN 0.202 nan 8.230 nan 0.000 0.431 227 W N 3.489 124.796 121.300 0.013 0.000 2.390 227 W HA 0.428 5.087 4.660 -0.001 0.000 0.312 227 W C 0.515 177.069 176.519 0.058 0.000 1.123 227 W CA -0.649 56.720 57.345 0.040 0.000 1.202 227 W CB 0.430 29.908 29.460 0.031 0.000 1.251 227 W HN 0.530 nan 8.180 nan 0.000 0.511 228 N N 0.681 119.555 118.700 0.289 0.000 2.740 228 N HA -0.219 4.521 4.740 -0.001 0.000 0.248 228 N C 1.082 176.720 175.510 0.212 0.000 1.062 228 N CA 1.415 54.607 53.050 0.238 0.000 0.704 228 N CB -1.467 37.161 38.487 0.235 0.000 0.968 228 N HN 0.707 nan 8.380 nan 0.000 0.547 229 T N -3.312 111.347 114.554 0.174 0.000 2.904 229 T HA 0.152 4.502 4.350 -0.001 0.000 0.267 229 T C 0.952 175.858 174.700 0.342 0.000 1.059 229 T CA 0.935 63.154 62.100 0.199 0.000 1.137 229 T CB 0.178 68.936 68.868 -0.183 0.000 0.879 229 T HN 0.481 nan 8.240 nan 0.000 0.467 230 A N 1.056 124.036 122.820 0.266 0.000 2.276 230 A HA 0.690 5.010 4.320 -0.001 0.000 0.300 230 A C 1.107 178.790 177.584 0.163 0.000 1.235 230 A CA -0.047 52.146 52.037 0.261 0.000 0.867 230 A CB -0.603 18.598 19.000 0.335 0.000 1.137 230 A HN 1.402 nan 8.150 nan 0.000 0.527 231 G N 2.725 111.565 108.800 0.066 0.000 2.642 231 G HA2 0.016 3.975 3.960 -0.001 0.000 0.231 231 G HA3 0.016 3.975 3.960 -0.001 0.000 0.231 231 G C 0.476 175.383 174.900 0.012 0.000 1.338 231 G CA 0.710 45.797 45.100 -0.021 0.000 0.883 231 G HN 2.116 nan 8.290 nan 0.000 0.570 232 N N -2.899 115.832 118.700 0.052 0.000 3.788 232 N HA -0.256 4.484 4.740 -0.001 0.000 0.214 232 N C 0.548 176.146 175.510 0.146 0.000 0.294 232 N CA 4.365 57.496 53.050 0.135 0.000 2.466 232 N CB -1.287 37.266 38.487 0.110 0.000 1.407 232 N HN 2.442 nan 8.380 nan 0.000 0.362 233 V N -3.570 116.394 119.914 0.084 0.000 2.823 233 V HA 0.746 4.865 4.120 -0.001 0.000 0.312 233 V C -0.096 176.000 176.094 0.003 0.000 1.072 233 V CA -1.001 61.342 62.300 0.073 0.000 0.937 233 V CB 1.284 33.202 31.823 0.158 0.000 1.013 233 V HN 0.430 nan 8.190 nan 0.000 0.430 234 W N 1.152 122.443 121.300 -0.014 0.000 2.187 234 W HA 0.406 5.066 4.660 -0.001 0.000 0.348 234 W C 0.556 177.027 176.519 -0.080 0.000 1.282 234 W CA 0.475 57.764 57.345 -0.092 0.000 1.271 234 W CB 0.281 29.610 29.460 -0.217 0.000 1.170 234 W HN 0.652 nan 8.180 nan 0.000 0.583 235 E N 1.450 121.758 120.200 0.180 0.000 2.224 235 E HA 0.163 4.512 4.350 -0.001 0.000 0.265 235 E C -1.328 175.340 176.600 0.113 0.000 0.878 235 E CA -0.950 55.561 56.400 0.185 0.000 0.759 235 E CB 0.991 30.893 29.700 0.336 0.000 1.164 235 E HN 0.315 nan 8.360 nan 0.000 0.414 236 W N 2.200 123.641 121.300 0.234 0.000 2.223 236 W HA 0.138 4.797 4.660 -0.001 0.000 0.334 236 W C 0.111 176.746 176.519 0.194 0.000 1.334 236 W CA -0.317 57.147 57.345 0.199 0.000 1.246 236 W CB 0.536 30.095 29.460 0.166 0.000 1.184 236 W HN 0.358 nan 8.180 nan 0.000 0.563 237 C N 1.195 120.787 119.300 0.486 0.000 2.630 237 C HA 0.237 4.697 4.460 -0.001 0.000 0.346 237 C C 1.790 177.052 174.990 0.453 0.000 1.245 237 C CA -0.324 58.918 59.018 0.373 0.000 1.804 237 C CB 1.653 29.546 27.740 0.254 0.000 2.279 237 C HN 0.795 nan 8.230 nan 0.000 0.498 238 S N -0.104 115.806 115.700 0.350 0.000 2.453 238 S HA -0.067 4.402 4.470 -0.001 0.000 0.231 238 S C 0.001 174.730 174.600 0.215 0.000 1.005 238 S CA 0.745 59.170 58.200 0.374 0.000 0.949 238 S CB -0.625 62.721 63.200 0.243 0.000 0.774 238 S HN 0.833 nan 8.310 nan 0.000 0.510 239 D N 1.472 121.968 120.400 0.159 0.000 2.424 239 D HA 0.246 4.886 4.640 -0.001 0.000 0.244 239 D C -0.583 175.700 176.300 -0.027 0.000 1.134 239 D CA -0.032 54.004 54.000 0.059 0.000 0.881 239 D CB 0.182 41.048 40.800 0.111 0.000 1.191 239 D HN 0.451 nan 8.370 nan 0.000 0.445 240 W N 2.004 123.267 121.300 -0.062 0.000 2.223 240 W HA 0.125 4.785 4.660 -0.001 0.000 0.334 240 W C 0.497 176.994 176.519 -0.036 0.000 1.334 240 W CA -0.852 56.440 57.345 -0.089 0.000 1.246 240 W CB 0.298 29.678 29.460 -0.133 0.000 1.184 240 W HN 0.287 nan 8.180 nan 0.000 0.563 241 F N 4.254 124.326 119.950 0.205 0.000 2.412 241 F HA 0.404 4.931 4.527 -0.000 0.000 0.348 241 F C 0.193 176.023 175.800 0.050 0.000 1.102 241 F CA 0.068 58.122 58.000 0.090 0.000 1.196 241 F CB 0.847 39.884 39.000 0.061 0.000 1.144 241 F HN 0.081 nan 8.300 nan 0.000 0.541 242 S N 6.645 121.813 115.700 -0.886 0.000 2.548 242 S HA 0.468 4.937 4.470 -0.001 0.000 0.276 242 S C -2.138 171.829 174.600 -1.055 0.000 1.129 242 S CA -1.386 56.372 58.200 -0.736 0.000 0.931 242 S CB 1.848 64.895 63.200 -0.254 0.000 1.068 242 S HN 0.525 nan 8.310 nan 0.000 0.480 243 P HA 0.093 nan 4.420 nan 0.000 0.241 243 P C 0.847 178.007 177.300 -0.234 0.000 1.191 243 P CA 0.629 63.497 63.100 -0.386 0.000 0.771 243 P CB -0.208 31.467 31.700 -0.043 0.000 0.929 244 T N -6.625 107.824 114.554 -0.176 0.000 3.084 244 T HA 0.074 4.423 4.350 -0.001 0.000 0.270 244 T C 1.407 176.084 174.700 -0.037 0.000 1.008 244 T CA -0.329 61.717 62.100 -0.090 0.000 0.900 244 T CB -0.836 67.998 68.868 -0.056 0.000 1.084 244 T HN -0.171 nan 8.240 nan 0.000 0.538 245 Y N 1.342 121.546 120.300 -0.161 0.000 2.242 245 Y HA -0.036 4.514 4.550 -0.001 0.000 0.291 245 Y C 1.772 177.675 175.900 0.005 0.000 1.137 245 Y CA 0.735 58.797 58.100 -0.064 0.000 1.181 245 Y CB -0.435 38.000 38.460 -0.041 0.000 0.989 245 Y HN 0.200 nan 8.280 nan 0.000 0.527 246 Y N -0.218 119.894 120.300 -0.312 0.000 2.151 246 Y HA -0.246 4.304 4.550 -0.000 0.000 0.284 246 Y C 2.713 178.232 175.900 -0.635 0.000 1.166 246 Y CA 0.937 58.670 58.100 -0.611 0.000 1.163 246 Y CB -1.451 36.822 38.460 -0.312 0.000 0.974 246 Y HN 0.226 nan 8.280 nan 0.000 0.511 247 A N -0.355 122.355 122.820 -0.184 0.000 2.015 247 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 247 A C 1.888 179.348 177.584 -0.207 0.000 1.163 247 A CA 1.648 53.583 52.037 -0.170 0.000 0.646 247 A CB -0.462 18.483 19.000 -0.091 0.000 0.806 247 A HN 0.527 nan 8.150 nan 0.000 0.448 248 E N -0.424 119.620 120.200 -0.261 0.000 2.481 248 E HA 0.124 4.473 4.350 -0.001 0.000 0.198 248 E C 0.342 176.727 176.600 -0.359 0.000 1.027 248 E CA -0.179 56.084 56.400 -0.229 0.000 0.900 248 E CB 0.384 30.018 29.700 -0.110 0.000 0.993 248 E HN 0.357 nan 8.360 nan 0.000 0.482 249 S N 2.490 117.829 115.700 -0.601 0.000 2.549 249 S HA 0.095 4.565 4.470 -0.001 0.000 0.286 249 S C -1.991 172.440 174.600 -0.282 0.000 1.314 249 S CA -1.423 56.372 58.200 -0.674 0.000 1.062 249 S CB 0.403 63.150 63.200 -0.755 0.000 0.865 249 S HN -0.006 nan 8.310 nan 0.000 0.498 250 P HA 0.153 nan 4.420 nan 0.000 0.274 250 P C 0.844 178.117 177.300 -0.045 0.000 1.237 250 P CA -0.343 62.725 63.100 -0.053 0.000 0.793 250 P CB 0.621 32.332 31.700 0.018 0.000 0.977 251 T N -1.049 113.485 114.554 -0.034 0.000 2.896 251 T HA 0.013 4.362 4.350 -0.001 0.000 0.263 251 T C 0.734 175.417 174.700 -0.029 0.000 1.050 251 T CA 0.620 62.698 62.100 -0.037 0.000 1.140 251 T CB -0.469 68.374 68.868 -0.041 0.000 0.877 251 T HN 0.143 nan 8.240 nan 0.000 0.457 252 V N 3.192 123.100 119.914 -0.011 0.000 2.406 252 V HA 0.313 4.433 4.120 -0.001 0.000 0.272 252 V C 0.173 176.264 176.094 -0.005 0.000 1.043 252 V CA -0.351 61.946 62.300 -0.006 0.000 0.915 252 V CB 0.550 32.377 31.823 0.006 0.000 0.988 252 V HN 0.659 nan 8.190 nan 0.000 0.466 253 D N 4.430 124.806 120.400 -0.040 0.000 2.802 253 D HA -0.127 4.513 4.640 -0.001 0.000 0.229 253 D C -2.403 173.799 176.300 -0.164 0.000 1.203 253 D CA 0.033 53.962 54.000 -0.118 0.000 0.712 253 D CB -0.174 40.572 40.800 -0.090 0.000 0.973 253 D HN 0.410 nan 8.370 nan 0.000 0.407 254 P HA 0.106 nan 4.420 nan 0.000 0.271 254 P C 0.413 177.710 177.300 -0.004 0.000 1.220 254 P CA 0.016 63.173 63.100 0.096 0.000 0.768 254 P CB 0.529 32.359 31.700 0.217 0.000 0.848 255 H N 1.601 120.790 119.070 0.198 0.000 2.705 255 H HA 0.252 4.808 4.556 -0.001 0.000 0.269 255 H C 1.211 176.534 175.328 -0.008 0.000 0.998 255 H CA 0.907 57.016 56.048 0.101 0.000 1.193 255 H CB 0.453 30.262 29.762 0.079 0.000 1.485 255 H HN 0.699 nan 8.280 nan 0.000 0.521 256 G N 2.010 110.737 108.800 -0.121 0.000 2.710 256 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.668 256 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.668 256 G C -2.713 171.805 174.900 -0.636 0.000 1.320 256 G CA -0.809 43.793 45.100 -0.831 0.000 0.860 256 G HN 0.042 nan 8.290 nan 0.000 0.538 257 P HA 0.318 nan 4.420 nan 0.000 0.272 257 P C 1.270 178.595 177.300 0.041 0.000 1.230 257 P CA 0.635 63.648 63.100 -0.146 0.000 0.788 257 P CB 0.622 32.248 31.700 -0.122 0.000 0.949 258 G N 0.768 109.595 108.800 0.047 0.000 2.422 258 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.218 258 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.218 258 G C 0.452 175.381 174.900 0.049 0.000 1.140 258 G CA 0.942 46.094 45.100 0.087 0.000 0.775 258 G HN 0.739 nan 8.290 nan 0.000 0.545 259 T N -3.434 110.995 114.554 -0.207 0.000 2.916 259 T HA 0.741 5.090 4.350 -0.001 0.000 0.292 259 T C -0.245 173.833 174.700 -1.036 0.000 1.064 259 T CA -0.147 61.560 62.100 -0.655 0.000 1.011 259 T CB 2.601 71.228 68.868 -0.402 0.000 1.152 259 T HN 0.937 nan 8.240 nan 0.000 0.510 260 G N -1.230 106.596 108.800 -1.623 0.000 2.349 260 G HA2 0.617 4.577 3.960 -0.001 0.000 0.294 260 G HA3 0.617 4.577 3.960 -0.001 0.000 0.294 260 G C -0.030 174.195 174.900 -1.125 0.000 1.380 260 G CA -0.146 44.284 45.100 -1.116 0.000 0.811 260 G HN 1.051 nan 8.290 nan 0.000 0.519 261 A N -1.173 121.408 122.820 -0.398 0.000 2.013 261 A HA 0.834 5.154 4.320 -0.001 0.000 0.204 261 A C 1.203 178.860 177.584 0.121 0.000 1.262 261 A CA 1.841 53.780 52.037 -0.164 0.000 0.800 261 A CB -0.071 18.877 19.000 -0.088 0.000 0.909 261 A HN 2.217 nan 8.150 nan 0.000 0.472 262 A N 0.176 123.145 122.820 0.248 0.000 2.401 262 A HA 0.713 5.033 4.320 -0.001 0.000 0.310 262 A C -0.498 177.307 177.584 0.369 0.000 1.075 262 A CA -0.774 51.421 52.037 0.263 0.000 0.746 262 A CB 0.990 20.038 19.000 0.080 0.000 1.277 262 A HN 0.189 nan 8.150 nan 0.000 0.425 263 R N 0.754 121.339 120.500 0.140 0.000 2.500 263 R HA 0.444 4.783 4.340 -0.001 0.000 0.277 263 R C -0.274 176.159 176.300 0.221 0.000 1.026 263 R CA -0.643 55.448 56.100 -0.015 0.000 1.058 263 R CB 1.265 31.241 30.300 -0.539 0.000 1.078 263 R HN 0.491 nan 8.270 nan 0.000 0.509 264 V N 3.031 123.084 119.914 0.231 0.000 2.740 264 V HA 0.008 4.127 4.120 -0.001 0.000 0.303 264 V C 0.146 176.325 176.094 0.142 0.000 1.054 264 V CA 0.177 62.607 62.300 0.217 0.000 1.106 264 V CB 0.703 32.674 31.823 0.247 0.000 0.957 264 V HN 0.350 nan 8.190 nan 0.000 0.486 265 L N 6.287 127.488 121.223 -0.037 0.000 2.386 265 L HA 0.679 5.019 4.340 -0.001 0.000 0.271 265 L C -0.093 176.759 176.870 -0.031 0.000 0.993 265 L CA -0.232 54.522 54.840 -0.142 0.000 0.819 265 L CB 1.872 43.654 42.059 -0.460 0.000 1.294 265 L HN 0.544 nan 8.230 nan 0.000 0.414 266 R N 1.674 122.086 120.500 -0.146 0.000 2.807 266 R HA 0.815 5.155 4.340 -0.001 0.000 0.276 266 R C 0.440 176.523 176.300 -0.362 0.000 0.979 266 R CA -0.129 55.685 56.100 -0.477 0.000 0.928 266 R CB 1.794 31.131 30.300 -1.605 0.000 1.191 266 R HN 0.766 nan 8.270 nan 0.000 0.471 267 G N -0.197 108.413 108.800 -0.316 0.000 2.436 267 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.204 267 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.204 267 G C 0.440 175.111 174.900 -0.381 0.000 1.026 267 G CA 0.086 45.126 45.100 -0.099 0.000 0.658 267 G HN 1.253 nan 8.290 nan 0.000 0.499 268 G N -0.899 107.149 108.800 -1.255 0.000 2.828 268 G HA2 0.415 4.375 3.960 -0.001 0.000 0.463 268 G HA3 0.415 4.375 3.960 -0.001 0.000 0.463 268 G C 0.125 174.366 174.900 -1.099 0.000 1.394 268 G CA 1.016 45.258 45.100 -1.430 0.000 0.862 268 G HN 2.474 nan 8.290 nan 0.000 0.540 269 S N -1.747 113.530 115.700 -0.705 0.000 2.794 269 S HA 0.681 5.151 4.470 -0.001 0.000 0.299 269 S C 0.832 175.337 174.600 -0.159 0.000 1.179 269 S CA 0.351 58.313 58.200 -0.397 0.000 0.838 269 S CB 0.938 63.902 63.200 -0.394 0.000 1.206 269 S HN 2.172 nan 8.310 nan 0.000 0.523 270 Y N 0.043 120.338 120.300 -0.009 0.000 2.651 270 Y HA 0.319 4.869 4.550 -0.001 0.000 0.296 270 Y C 1.151 177.110 175.900 0.099 0.000 1.150 270 Y CA 0.566 58.672 58.100 0.010 0.000 1.348 270 Y CB -0.831 37.634 38.460 0.008 0.000 0.983 270 Y HN 0.445 nan 8.280 nan 0.000 0.555 271 L N -0.865 120.323 121.223 -0.058 0.000 2.585 271 L HA 0.164 4.503 4.340 -0.001 0.000 0.226 271 L C 0.551 177.455 176.870 0.057 0.000 1.113 271 L CA -0.373 54.522 54.840 0.091 0.000 0.876 271 L CB -0.111 41.895 42.059 -0.089 0.000 1.072 271 L HN 0.133 nan 8.230 nan 0.000 0.468 272 c N 1.006 119.623 118.600 0.028 0.000 2.651 272 c HA 0.190 4.760 4.570 -0.001 0.000 0.410 272 c C 0.411 174.566 174.090 0.109 0.000 1.372 272 c CA 0.010 56.323 56.329 -0.027 0.000 1.707 272 c CB -1.352 41.218 42.510 0.100 0.000 2.501 272 c HN 0.275 nan 8.230 nan 0.000 0.598 273 H N 2.346 121.322 119.070 -0.158 0.000 2.771 273 H HA 0.286 4.842 4.556 -0.001 0.000 0.361 273 H C 0.714 176.035 175.328 -0.012 0.000 1.108 273 H CA -0.790 55.267 56.048 0.015 0.000 1.201 273 H CB 1.139 30.897 29.762 -0.007 0.000 1.681 273 H HN 0.703 nan 8.280 nan 0.000 0.534 274 D N 2.367 122.616 120.400 -0.251 0.000 2.392 274 D HA -0.137 4.502 4.640 -0.001 0.000 0.228 274 D C 1.116 177.267 176.300 -0.247 0.000 1.003 274 D CA 0.873 54.770 54.000 -0.171 0.000 0.917 274 D CB -0.038 40.768 40.800 0.010 0.000 0.890 274 D HN 0.457 nan 8.370 nan 0.000 0.532 275 S N 0.018 115.485 115.700 -0.388 0.000 2.461 275 S HA -0.131 4.339 4.470 -0.001 0.000 0.228 275 S C 1.565 176.191 174.600 0.043 0.000 1.005 275 S CA 0.446 58.581 58.200 -0.109 0.000 0.942 275 S CB -0.570 62.637 63.200 0.013 0.000 0.776 275 S HN 0.589 nan 8.310 nan 0.000 0.514 276 Y N -0.879 119.306 120.300 -0.191 0.000 2.648 276 Y HA 0.589 5.139 4.550 0.000 0.000 0.270 276 Y C 0.149 175.977 175.900 -0.119 0.000 1.043 276 Y CA -1.156 56.851 58.100 -0.155 0.000 1.238 276 Y CB -0.072 38.247 38.460 -0.235 0.000 1.385 276 Y HN 0.470 nan 8.280 nan 0.000 0.569 277 c N 2.675 120.834 118.600 -0.734 0.000 2.994 277 c HA 0.761 5.330 4.570 -0.001 0.000 0.304 277 c C -0.830 173.089 174.090 -0.285 0.000 1.273 277 c CA 0.080 56.023 56.329 -0.643 0.000 1.537 277 c CB 1.672 43.580 42.510 -1.002 0.000 2.001 277 c HN 0.689 nan 8.230 nan 0.000 0.471 278 N N 1.145 119.683 118.700 -0.271 0.000 2.423 278 N HA 0.134 4.873 4.740 -0.001 0.000 0.262 278 N C 0.258 175.450 175.510 -0.530 0.000 1.467 278 N CA -0.438 52.319 53.050 -0.488 0.000 0.847 278 N CB -0.304 37.995 38.487 -0.314 0.000 1.394 278 N HN 0.657 nan 8.380 nan 0.000 0.495 279 R N 0.331 120.649 120.500 -0.303 0.000 2.323 279 R HA 0.051 4.391 4.340 -0.001 0.000 0.198 279 R C 0.404 176.601 176.300 -0.172 0.000 0.988 279 R CA 0.488 56.509 56.100 -0.131 0.000 1.041 279 R CB -0.618 29.732 30.300 0.083 0.000 0.926 279 R HN 0.597 nan 8.270 nan 0.000 0.476 280 Y N -0.479 119.788 120.300 -0.055 0.000 2.546 280 Y HA 0.268 4.817 4.550 -0.001 0.000 0.287 280 Y C 0.477 176.463 175.900 0.143 0.000 1.158 280 Y CA -0.799 57.301 58.100 -0.001 0.000 1.307 280 Y CB -0.416 38.052 38.460 0.014 0.000 1.036 280 Y HN -0.266 nan 8.280 nan 0.000 0.532 281 R N 0.937 121.410 120.500 -0.045 0.000 2.570 281 R HA 0.064 4.404 4.340 -0.001 0.000 0.277 281 R C 1.286 177.613 176.300 0.044 0.000 1.039 281 R CA 0.318 56.404 56.100 -0.023 0.000 1.065 281 R CB 1.279 31.442 30.300 -0.229 0.000 0.964 281 R HN 0.263 nan 8.270 nan 0.000 0.428 282 V N 2.992 122.920 119.914 0.023 0.000 2.568 282 V HA -0.230 3.890 4.120 -0.001 0.000 0.253 282 V C 1.643 177.866 176.094 0.216 0.000 1.072 282 V CA 2.576 64.957 62.300 0.135 0.000 1.084 282 V CB -0.245 31.598 31.823 0.032 0.000 0.676 282 V HN 0.941 nan 8.190 nan 0.000 0.469 283 A N -0.653 122.249 122.820 0.137 0.000 2.195 283 A HA 0.602 4.921 4.320 -0.001 0.000 0.210 283 A C 1.305 179.002 177.584 0.188 0.000 1.165 283 A CA 0.638 52.792 52.037 0.195 0.000 0.806 283 A CB -0.363 18.735 19.000 0.163 0.000 0.847 283 A HN 0.717 nan 8.150 nan 0.000 0.482 284 A N 1.153 124.046 122.820 0.121 0.000 2.462 284 A HA 0.513 4.833 4.320 -0.001 0.000 0.243 284 A C 0.603 178.275 177.584 0.148 0.000 1.076 284 A CA -0.125 51.971 52.037 0.098 0.000 0.773 284 A CB 0.021 19.040 19.000 0.032 0.000 1.010 284 A HN 0.707 nan 8.150 nan 0.000 0.493 285 R N 0.752 121.346 120.500 0.157 0.000 2.808 285 R HA 0.854 5.194 4.340 -0.001 0.000 0.272 285 R C -0.678 175.683 176.300 0.102 0.000 0.995 285 R CA -0.416 55.785 56.100 0.170 0.000 0.917 285 R CB 1.666 32.103 30.300 0.228 0.000 1.217 285 R HN 0.670 nan 8.270 nan 0.000 0.471 286 S N -0.162 115.525 115.700 -0.020 0.000 2.752 286 S HA 0.723 5.192 4.470 -0.001 0.000 0.284 286 S C -1.546 172.783 174.600 -0.452 0.000 1.189 286 S CA -0.074 57.931 58.200 -0.325 0.000 0.835 286 S CB 1.652 64.560 63.200 -0.486 0.000 1.192 286 S HN 0.975 nan 8.310 nan 0.000 0.506 287 S N 1.329 116.666 115.700 -0.604 0.000 2.688 287 S HA 0.837 5.307 4.470 -0.001 0.000 0.275 287 S C -1.465 172.912 174.600 -0.372 0.000 1.175 287 S CA -0.746 57.194 58.200 -0.434 0.000 0.818 287 S CB 1.635 64.526 63.200 -0.514 0.000 1.157 287 S HN 0.830 nan 8.310 nan 0.000 0.482 288 N N -0.491 118.124 118.700 -0.142 0.000 2.710 288 N HA 0.362 5.101 4.740 -0.001 0.000 0.257 288 N C -1.608 174.010 175.510 0.179 0.000 1.140 288 N CA -0.168 52.846 53.050 -0.059 0.000 0.953 288 N CB 1.870 40.234 38.487 -0.206 0.000 1.664 288 N HN 0.819 nan 8.380 nan 0.000 0.497 289 T N 2.987 117.600 114.554 0.098 0.000 2.905 289 T HA 0.070 4.420 4.350 -0.001 0.000 0.299 289 T C -1.496 173.280 174.700 0.126 0.000 1.024 289 T CA -0.374 61.781 62.100 0.091 0.000 1.151 289 T CB 0.453 69.334 68.868 0.021 0.000 0.987 289 T HN 0.404 nan 8.240 nan 0.000 0.535 290 P HA -0.071 nan 4.420 nan 0.000 0.226 290 P C 0.824 178.053 177.300 -0.119 0.000 1.153 290 P CA 0.917 63.873 63.100 -0.240 0.000 0.777 290 P CB 0.168 31.619 31.700 -0.415 0.000 0.794 291 D N -1.664 118.724 120.400 -0.020 0.000 2.340 291 D HA 0.050 4.690 4.640 -0.001 0.000 0.217 291 D C 0.114 176.419 176.300 0.009 0.000 1.081 291 D CA -0.131 53.867 54.000 -0.003 0.000 0.842 291 D CB -0.285 40.510 40.800 -0.009 0.000 0.934 291 D HN -0.076 nan 8.370 nan 0.000 0.511 292 S N 0.009 115.759 115.700 0.083 0.000 2.610 292 S HA 0.552 5.022 4.470 -0.001 0.000 0.273 292 S C 0.061 174.789 174.600 0.215 0.000 1.274 292 S CA -0.573 57.673 58.200 0.077 0.000 1.023 292 S CB 1.307 64.540 63.200 0.056 0.000 0.962 292 S HN 0.457 nan 8.310 nan 0.000 0.523 293 S N 0.567 116.340 115.700 0.122 0.000 2.556 293 S HA 0.882 5.352 4.470 -0.001 0.000 0.271 293 S C -0.804 173.856 174.600 0.100 0.000 1.135 293 S CA -0.752 57.565 58.200 0.196 0.000 0.858 293 S CB 1.742 65.110 63.200 0.279 0.000 1.114 293 S HN 0.958 nan 8.310 nan 0.000 0.468 294 S N -0.158 115.577 115.700 0.058 0.000 2.636 294 S HA 0.683 5.153 4.470 -0.001 0.000 0.268 294 S C 0.733 175.179 174.600 -0.256 0.000 1.159 294 S CA -0.449 57.708 58.200 -0.073 0.000 0.815 294 S CB 0.603 63.558 63.200 -0.408 0.000 1.130 294 S HN 1.569 nan 8.310 nan 0.000 0.471 295 G N 0.727 109.466 108.800 -0.101 0.000 2.679 295 G HA2 -0.000 3.959 3.960 -0.001 0.000 0.212 295 G HA3 -0.000 3.959 3.960 -0.001 0.000 0.212 295 G C 0.693 175.754 174.900 0.267 0.000 1.137 295 G CA 0.728 45.806 45.100 -0.036 0.000 0.787 295 G HN 0.971 nan 8.290 nan 0.000 0.534 296 N N -0.786 118.080 118.700 0.277 0.000 2.291 296 N HA 0.203 4.943 4.740 -0.001 0.000 0.244 296 N C -0.467 175.180 175.510 0.229 0.000 1.216 296 N CA -0.484 52.695 53.050 0.216 0.000 0.879 296 N CB 0.438 38.944 38.487 0.031 0.000 1.167 296 N HN 0.168 nan 8.380 nan 0.000 0.515 297 L N 0.086 121.398 121.223 0.148 0.000 2.404 297 L HA 0.885 5.225 4.340 -0.001 0.000 0.272 297 L C -0.082 176.872 176.870 0.140 0.000 0.980 297 L CA -0.400 54.503 54.840 0.104 0.000 0.836 297 L CB 1.497 43.508 42.059 -0.079 0.000 1.238 297 L HN 0.163 nan 8.230 nan 0.000 0.408 298 G N 3.106 112.018 108.800 0.188 0.000 3.247 298 G HA2 0.763 4.723 3.960 -0.001 0.000 0.199 298 G HA3 0.763 4.723 3.960 -0.001 0.000 0.199 298 G C -1.305 173.897 174.900 0.502 0.000 1.172 298 G CA -0.038 45.248 45.100 0.310 0.000 0.844 298 G HN 0.839 nan 8.290 nan 0.000 0.619 299 F N -1.356 118.697 119.950 0.171 0.000 2.744 299 F HA 0.770 5.297 4.527 -0.001 0.000 0.311 299 F C -0.936 174.979 175.800 0.192 0.000 1.144 299 F CA -1.551 56.586 58.000 0.228 0.000 0.938 299 F CB 1.093 40.259 39.000 0.277 0.000 1.292 299 F HN 0.787 nan 8.300 nan 0.000 0.444 300 R N 1.329 121.987 120.500 0.263 0.000 2.807 300 R HA 0.913 5.252 4.340 -0.001 0.000 0.276 300 R C -1.522 174.966 176.300 0.313 0.000 0.979 300 R CA -0.618 55.566 56.100 0.139 0.000 0.928 300 R CB 1.513 31.928 30.300 0.192 0.000 1.191 300 R HN 0.885 nan 8.270 nan 0.000 0.471 301 C N 0.737 120.188 119.300 0.252 0.000 2.352 301 C HA 0.982 5.442 4.460 -0.001 0.000 0.387 301 C C 0.447 175.592 174.990 0.258 0.000 1.294 301 C CA 0.093 59.288 59.018 0.295 0.000 2.137 301 C CB 1.175 29.091 27.740 0.292 0.000 2.146 301 C HN 1.002 nan 8.230 nan 0.000 0.559 302 A N 0.696 123.661 122.820 0.243 0.000 2.534 302 A HA 0.872 5.192 4.320 -0.001 0.000 0.300 302 A C -1.325 176.392 177.584 0.222 0.000 1.223 302 A CA -0.544 51.657 52.037 0.272 0.000 0.666 302 A CB 1.108 20.300 19.000 0.320 0.000 1.316 302 A HN 0.929 nan 8.150 nan 0.000 0.468 303 N N -0.713 118.154 118.700 0.277 0.000 2.815 303 N HA 0.319 5.059 4.740 -0.001 0.000 0.253 303 N C -2.099 173.593 175.510 0.302 0.000 1.202 303 N CA -0.757 52.422 53.050 0.214 0.000 0.925 303 N CB 1.456 40.003 38.487 0.100 0.000 1.622 303 N HN 0.639 nan 8.380 nan 0.000 0.497 304 D N 1.063 121.591 120.400 0.213 0.000 2.378 304 D HA 0.349 4.989 4.640 -0.001 0.000 0.238 304 D C 0.019 176.490 176.300 0.284 0.000 1.180 304 D CA 0.321 54.449 54.000 0.213 0.000 0.895 304 D CB 0.882 41.761 40.800 0.132 0.000 1.192 304 D HN 0.501 nan 8.370 nan 0.000 0.438 305 A N 0.702 123.663 122.820 0.235 0.000 2.624 305 A HA 0.610 4.929 4.320 -0.001 0.000 0.267 305 A C -0.252 177.411 177.584 0.132 0.000 1.282 305 A CA -0.166 52.005 52.037 0.224 0.000 0.934 305 A CB 0.895 19.954 19.000 0.098 0.000 1.510 305 A HN 0.543 nan 8.150 nan 0.000 0.477 306 D N 0.000 120.462 120.400 0.104 0.000 6.856 306 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 306 D CA 0.000 54.038 54.000 0.062 0.000 0.868 306 D CB 0.000 40.830 40.800 0.051 0.000 0.688 306 D HN 0.000 nan 8.370 nan 0.000 0.683