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 2wow_1_D DATA FIRST_RESID 2 DATA SEQUENCE SKAFDLVVIG AGSGGLEAGW NAATLYGKRV AVVDVQTSHG PPFYAALGGT DATA SEQUENCE CVNVGCVPKK LMVTGAQYMD HLRESAGFGW EFDGSSVKAN WKKLIAAKNE DATA SEQUENCE AVLDINKSYE GMFNDTEGLD FFLGWGSLES KNVVVVRETA DPKSAVKERL DATA SEQUENCE QADHILLATG SWPQMPAIPG IEHCISSNEA FYLPEPPRRV LTVGGGFISV DATA SEQUENCE EFAGIFNAYK PPGGKVTLCY RNNLILRGFD ETIREEVTKQ LTANGIEIMT DATA SEQUENCE NENPAKVSLN TDGSKHVTFE SGKTLDVDVV MMAIGRIPRT NDLQLGNVGV DATA SEQUENCE KLTPKGGVQV DEFSRTNVPN IYAIGDITDR LMLTPVAINE GAALVDTVFG DATA SEQUENCE NKPRKTDHTR VASAVFSIPP IGTCGLIEEV AAKEFEKVAV YMSSFTPLMH DATA SEQUENCE NISGSKYKKF VAKIVTNHSD GTVLGVHLLG DGAPEIIQAV GVCLRLNAKI DATA SEQUENCE SDFYNTIGVH PTSAEELCSM RTPSYYYVKG EKMEKLPDSN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.586 174.600 -0.023 0.000 1.055 2 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 2 S CB 0.000 63.191 63.200 -0.015 0.000 0.593 3 K N 1.694 122.085 120.400 -0.015 0.000 2.401 3 K HA 0.598 4.918 4.320 -0.000 0.000 0.278 3 K C 0.099 176.581 176.600 -0.196 0.000 1.018 3 K CA 0.132 56.354 56.287 -0.108 0.000 0.981 3 K CB 0.567 33.043 32.500 -0.040 0.000 0.933 3 K HN 0.227 nan 8.250 nan 0.000 0.477 4 A N 3.439 126.038 122.820 -0.368 0.000 2.312 4 A HA 0.714 5.034 4.320 -0.000 0.000 0.326 4 A C -1.037 176.230 177.584 -0.527 0.000 1.172 4 A CA -0.660 51.224 52.037 -0.254 0.000 0.821 4 A CB 0.225 19.152 19.000 -0.120 0.000 1.166 4 A HN 0.604 nan 8.150 nan 0.000 0.493 5 F N -0.040 119.945 119.950 0.058 0.000 2.599 5 F HA 0.319 4.846 4.527 -0.000 0.000 0.311 5 F C 0.834 176.702 175.800 0.113 0.000 1.076 5 F CA -0.674 57.378 58.000 0.086 0.000 0.937 5 F CB 2.068 41.131 39.000 0.106 0.000 1.282 5 F HN 0.677 nan 8.300 nan 0.000 0.460 6 D N 0.688 121.271 120.400 0.305 0.000 2.144 6 D HA -0.058 4.582 4.640 -0.000 0.000 0.200 6 D C 0.032 176.612 176.300 0.467 0.000 0.978 6 D CA 1.658 55.853 54.000 0.324 0.000 0.833 6 D CB 0.434 41.327 40.800 0.155 0.000 0.961 6 D HN 0.124 nan 8.370 nan 0.000 0.470 7 L N 0.594 122.046 121.223 0.381 0.000 2.438 7 L HA 0.328 4.668 4.340 -0.000 0.000 0.270 7 L C -1.374 175.631 176.870 0.226 0.000 0.972 7 L CA -0.673 54.386 54.840 0.364 0.000 0.831 7 L CB 2.429 44.687 42.059 0.332 0.000 1.273 7 L HN -0.361 nan 8.230 nan 0.000 0.405 8 V N 5.597 125.623 119.914 0.187 0.000 2.409 8 V HA 0.562 4.682 4.120 -0.000 0.000 0.291 8 V C -0.534 175.617 176.094 0.095 0.000 1.020 8 V CA -0.671 61.665 62.300 0.060 0.000 0.848 8 V CB 1.901 33.727 31.823 0.004 0.000 0.990 8 V HN 0.519 nan 8.190 nan 0.000 0.430 9 V N 6.329 126.290 119.914 0.078 0.000 2.370 9 V HA 0.474 4.594 4.120 -0.000 0.000 0.283 9 V C 0.009 176.131 176.094 0.048 0.000 1.023 9 V CA -0.459 61.898 62.300 0.095 0.000 0.857 9 V CB 1.632 33.533 31.823 0.130 0.000 0.985 9 V HN 0.675 nan 8.190 nan 0.000 0.443 10 I N 4.640 125.232 120.570 0.038 0.000 2.291 10 I HA 0.672 4.842 4.170 -0.000 0.000 0.290 10 I C 0.783 176.907 176.117 0.011 0.000 1.050 10 I CA 0.022 61.322 61.300 0.000 0.000 1.245 10 I CB 0.818 38.814 38.000 -0.006 0.000 1.405 10 I HN 0.895 nan 8.210 nan 0.000 0.478 11 G N 4.487 113.286 108.800 -0.001 0.000 3.393 11 G HA2 0.128 4.088 3.960 -0.000 0.000 0.676 11 G HA3 0.128 4.088 3.960 -0.000 0.000 0.676 11 G C -0.322 174.610 174.900 0.052 0.000 1.224 11 G CA -0.437 44.667 45.100 0.007 0.000 1.109 11 G HN 0.866 nan 8.290 nan 0.000 0.519 12 A N 1.618 124.476 122.820 0.062 0.000 3.197 12 A HA 0.749 5.069 4.320 -0.000 0.000 0.263 12 A C 1.341 178.923 177.584 -0.004 0.000 1.524 12 A CA 1.153 53.250 52.037 0.099 0.000 1.176 12 A CB -0.308 18.813 19.000 0.202 0.000 1.096 12 A HN 1.947 nan 8.150 nan 0.000 0.655 13 G N -0.867 107.933 108.800 -0.000 0.000 2.857 13 G HA2 0.398 4.358 3.960 -0.000 0.000 0.217 13 G HA3 0.398 4.358 3.960 -0.000 0.000 0.217 13 G C 1.048 175.924 174.900 -0.040 0.000 1.357 13 G CA 0.477 45.556 45.100 -0.034 0.000 1.033 13 G HN 0.244 nan 8.290 nan 0.000 0.571 14 S N -0.267 115.422 115.700 -0.018 0.000 2.353 14 S HA -0.123 4.347 4.470 -0.000 0.000 0.222 14 S C 2.449 177.068 174.600 0.032 0.000 1.035 14 S CA 1.804 60.006 58.200 0.002 0.000 1.025 14 S CB -0.704 62.507 63.200 0.018 0.000 0.902 14 S HN 0.770 nan 8.310 nan 0.000 0.440 15 G N 0.896 109.724 108.800 0.046 0.000 2.394 15 G HA2 0.034 3.994 3.960 -0.000 0.000 0.215 15 G HA3 0.034 3.994 3.960 -0.000 0.000 0.215 15 G C 1.434 176.382 174.900 0.080 0.000 1.165 15 G CA 0.857 45.996 45.100 0.066 0.000 0.784 15 G HN 0.561 nan 8.290 nan 0.000 0.535 16 G N 0.901 109.747 108.800 0.078 0.000 2.404 16 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.215 16 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.215 16 G C 1.819 176.791 174.900 0.121 0.000 1.174 16 G CA 0.667 45.828 45.100 0.101 0.000 0.780 16 G HN 0.397 nan 8.290 nan 0.000 0.537 17 L N 0.138 121.416 121.223 0.091 0.000 2.083 17 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 17 L C 2.771 179.723 176.870 0.137 0.000 1.083 17 L CA 1.505 56.406 54.840 0.100 0.000 0.752 17 L CB -0.308 41.750 42.059 -0.002 0.000 0.899 17 L HN 0.269 nan 8.230 nan 0.000 0.433 18 E N 0.493 120.763 120.200 0.116 0.000 2.077 18 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 18 E C 2.138 178.850 176.600 0.186 0.000 0.989 18 E CA 1.516 58.003 56.400 0.146 0.000 0.800 18 E CB -0.094 29.669 29.700 0.105 0.000 0.746 18 E HN 0.370 nan 8.360 nan 0.000 0.452 19 A N 0.184 123.097 122.820 0.154 0.000 1.902 19 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 19 A C 2.471 180.159 177.584 0.173 0.000 1.181 19 A CA 1.838 53.970 52.037 0.158 0.000 0.623 19 A CB -1.369 17.712 19.000 0.136 0.000 0.818 19 A HN 0.427 nan 8.150 nan 0.000 0.443 20 G N -1.374 107.531 108.800 0.175 0.000 2.404 20 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.215 20 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.215 20 G C 1.538 176.523 174.900 0.141 0.000 1.174 20 G CA 0.946 46.143 45.100 0.162 0.000 0.780 20 G HN 0.690 nan 8.290 nan 0.000 0.537 21 W N 1.804 123.091 121.300 -0.022 0.000 2.358 21 W HA -0.103 4.557 4.660 -0.000 0.000 0.303 21 W C 1.908 178.412 176.519 -0.025 0.000 1.208 21 W CA 1.353 58.663 57.345 -0.057 0.000 1.274 21 W CB -0.322 29.100 29.460 -0.063 0.000 1.138 21 W HN 0.167 nan 8.180 nan 0.000 0.515 22 N N 1.069 119.838 118.700 0.114 0.000 2.084 22 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 22 N C 2.026 177.532 175.510 -0.007 0.000 1.030 22 N CA 2.631 55.691 53.050 0.018 0.000 0.849 22 N CB -1.128 37.460 38.487 0.169 0.000 1.012 22 N HN 0.179 nan 8.380 nan 0.000 0.423 23 A N 0.605 123.466 122.820 0.070 0.000 1.902 23 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 23 A C 2.282 179.794 177.584 -0.120 0.000 1.181 23 A CA 1.995 54.041 52.037 0.014 0.000 0.623 23 A CB -0.959 17.998 19.000 -0.072 0.000 0.818 23 A HN 0.321 nan 8.150 nan 0.000 0.443 24 A N -0.680 122.047 122.820 -0.156 0.000 1.897 24 A HA -0.030 4.290 4.320 -0.000 0.000 0.215 24 A C 2.410 179.808 177.584 -0.311 0.000 1.181 24 A CA 2.444 54.361 52.037 -0.200 0.000 0.620 24 A CB -1.001 17.898 19.000 -0.168 0.000 0.821 24 A HN 0.721 nan 8.150 nan 0.000 0.443 25 T N -2.777 111.477 114.554 -0.500 0.000 2.983 25 T HA 0.193 4.543 4.350 -0.000 0.000 0.250 25 T C 1.802 176.235 174.700 -0.445 0.000 1.037 25 T CA 0.852 62.590 62.100 -0.603 0.000 1.142 25 T CB -0.356 67.837 68.868 -1.124 0.000 0.876 25 T HN 0.212 nan 8.240 nan 0.000 0.455 26 L N -1.240 119.716 121.223 -0.445 0.000 2.209 26 L HA 0.211 4.551 4.340 -0.000 0.000 0.207 26 L C 1.661 178.154 176.870 -0.628 0.000 1.094 26 L CA 1.044 55.550 54.840 -0.556 0.000 0.790 26 L CB -0.190 41.439 42.059 -0.716 0.000 0.932 26 L HN 0.249 nan 8.230 nan 0.000 0.447 27 Y N -0.952 119.248 120.300 -0.168 0.000 2.500 27 Y HA 0.327 4.877 4.550 -0.000 0.000 0.246 27 Y C 1.675 177.471 175.900 -0.173 0.000 1.146 27 Y CA 0.059 58.068 58.100 -0.152 0.000 1.230 27 Y CB 0.507 38.869 38.460 -0.164 0.000 1.214 27 Y HN 0.142 nan 8.280 nan 0.000 0.526 28 G N 0.668 109.417 108.800 -0.086 0.000 2.166 28 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 28 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 28 G C 0.335 175.177 174.900 -0.097 0.000 0.986 28 G CA 0.089 45.136 45.100 -0.088 0.000 0.683 28 G HN 0.072 nan 8.290 nan 0.000 0.527 29 K N -0.015 120.288 120.400 -0.162 0.000 2.219 29 K HA 0.383 4.703 4.320 -0.000 0.000 0.258 29 K C 0.744 177.298 176.600 -0.078 0.000 1.008 29 K CA -0.319 55.843 56.287 -0.208 0.000 0.928 29 K CB 0.427 32.605 32.500 -0.537 0.000 0.983 29 K HN 0.201 nan 8.250 nan 0.000 0.484 30 R N 0.941 121.447 120.500 0.010 0.000 2.265 30 R HA 0.398 4.738 4.340 -0.000 0.000 0.319 30 R C -0.478 176.012 176.300 0.317 0.000 1.006 30 R CA -0.771 55.422 56.100 0.155 0.000 0.880 30 R CB 0.599 30.975 30.300 0.127 0.000 1.077 30 R HN 0.218 nan 8.270 nan 0.000 0.454 31 V N 1.648 121.768 119.914 0.343 0.000 2.577 31 V HA 0.637 4.757 4.120 -0.000 0.000 0.303 31 V C -0.305 175.857 176.094 0.113 0.000 1.042 31 V CA -1.073 61.360 62.300 0.221 0.000 0.872 31 V CB 1.959 33.861 31.823 0.131 0.000 0.998 31 V HN 0.864 nan 8.190 nan 0.000 0.423 32 A N 4.333 127.040 122.820 -0.190 0.000 2.330 32 A HA 0.919 5.239 4.320 -0.000 0.000 0.327 32 A C -0.918 176.664 177.584 -0.002 0.000 1.155 32 A CA -0.575 51.288 52.037 -0.289 0.000 0.803 32 A CB 1.600 20.002 19.000 -0.996 0.000 1.208 32 A HN 0.743 nan 8.150 nan 0.000 0.477 33 V N 3.014 123.008 119.914 0.134 0.000 2.531 33 V HA 0.467 4.587 4.120 -0.000 0.000 0.301 33 V C -0.444 175.617 176.094 -0.054 0.000 1.034 33 V CA -0.543 61.846 62.300 0.148 0.000 0.865 33 V CB 1.615 33.700 31.823 0.438 0.000 0.995 33 V HN 0.680 nan 8.190 nan 0.000 0.424 34 V N 3.711 123.562 119.914 -0.104 0.000 2.513 34 V HA 0.687 4.807 4.120 -0.000 0.000 0.299 34 V C -0.462 175.498 176.094 -0.224 0.000 1.035 34 V CA -0.272 61.864 62.300 -0.272 0.000 0.889 34 V CB 1.817 33.526 31.823 -0.190 0.000 0.988 34 V HN 0.948 nan 8.190 nan 0.000 0.440 35 D N 1.352 121.557 120.400 -0.324 0.000 2.615 35 D HA 0.321 4.961 4.640 -0.000 0.000 0.267 35 D C 0.325 176.461 176.300 -0.273 0.000 1.236 35 D CA -0.268 53.627 54.000 -0.175 0.000 0.839 35 D CB 2.844 43.712 40.800 0.114 0.000 1.380 35 D HN 0.366 nan 8.370 nan 0.000 0.433 36 V N -1.085 118.595 119.914 -0.390 0.000 3.608 36 V HA 0.351 4.471 4.120 -0.000 0.000 0.269 36 V C 0.461 176.504 176.094 -0.086 0.000 1.245 36 V CA 0.706 62.658 62.300 -0.579 0.000 1.138 36 V CB -0.007 31.028 31.823 -1.314 0.000 0.841 36 V HN 0.433 nan 8.190 nan 0.000 0.451 37 Q N -0.420 119.417 119.800 0.061 0.000 2.479 37 Q HA 0.341 4.681 4.340 -0.000 0.000 0.276 37 Q C 0.412 176.471 176.000 0.100 0.000 0.989 37 Q CA 0.410 56.292 55.803 0.131 0.000 0.864 37 Q CB 2.199 31.037 28.738 0.167 0.000 1.444 37 Q HN 0.398 nan 8.270 nan 0.000 0.388 38 T N -2.490 112.089 114.554 0.042 0.000 3.037 38 T HA 0.227 4.577 4.350 -0.000 0.000 0.251 38 T C 0.546 175.208 174.700 -0.064 0.000 1.079 38 T CA 0.770 62.826 62.100 -0.073 0.000 1.067 38 T CB 0.103 68.913 68.868 -0.097 0.000 0.948 38 T HN 0.476 nan 8.240 nan 0.000 0.496 39 S N 0.650 116.332 115.700 -0.030 0.000 2.656 39 S HA 0.516 4.986 4.470 -0.000 0.000 0.273 39 S C -0.583 173.999 174.600 -0.030 0.000 1.168 39 S CA -1.164 57.035 58.200 -0.001 0.000 0.817 39 S CB 0.790 63.984 63.200 -0.009 0.000 1.146 39 S HN 0.716 nan 8.310 nan 0.000 0.475 40 H N -0.443 118.642 119.070 0.025 0.000 2.836 40 H HA 0.647 5.203 4.556 -0.000 0.000 0.368 40 H C 0.812 176.144 175.328 0.006 0.000 1.164 40 H CA 0.294 56.381 56.048 0.064 0.000 1.425 40 H CB -0.282 29.555 29.762 0.124 0.000 1.414 40 H HN 1.678 nan 8.280 nan 0.000 0.614 41 G N 0.427 109.233 108.800 0.011 0.000 2.498 41 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.651 41 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.651 41 G C -3.016 171.432 174.900 -0.752 0.000 1.284 41 G CA -0.822 44.015 45.100 -0.439 0.000 0.950 41 G HN 0.770 nan 8.290 nan 0.000 0.511 42 P HA 0.233 nan 4.420 nan 0.000 0.268 42 P C -1.576 175.333 177.300 -0.651 0.000 1.205 42 P CA -0.760 61.739 63.100 -1.003 0.000 0.771 42 P CB 0.673 31.995 31.700 -0.629 0.000 0.858 43 P HA 0.127 nan 4.420 nan 0.000 0.238 43 P C 0.482 177.435 177.300 -0.579 0.000 1.183 43 P CA 0.850 63.506 63.100 -0.741 0.000 0.813 43 P CB 0.271 31.481 31.700 -0.816 0.000 0.944 44 F N -2.332 117.549 119.950 -0.114 0.000 2.695 44 F HA 0.229 4.756 4.527 -0.000 0.000 0.303 44 F C 1.236 177.235 175.800 0.331 0.000 1.091 44 F CA -0.603 57.495 58.000 0.164 0.000 1.300 44 F CB -0.693 38.377 39.000 0.116 0.000 1.071 44 F HN -0.257 nan 8.300 nan 0.000 0.578 45 Y N -1.231 119.245 120.300 0.294 0.000 2.739 45 Y HA -0.399 4.151 4.550 -0.000 0.000 0.479 45 Y C 1.685 177.729 175.900 0.240 0.000 1.139 45 Y CA 0.242 58.492 58.100 0.251 0.000 2.846 45 Y CB -1.952 36.682 38.460 0.290 0.000 1.043 45 Y HN 0.024 nan 8.280 nan 0.000 0.581 46 A N 1.584 124.673 122.820 0.449 0.000 2.386 46 A HA 0.721 5.040 4.320 -0.000 0.000 0.246 46 A C 0.596 178.291 177.584 0.185 0.000 1.089 46 A CA 0.942 53.144 52.037 0.275 0.000 0.790 46 A CB 0.328 19.494 19.000 0.277 0.000 1.042 46 A HN 1.560 nan 8.150 nan 0.000 0.497 47 A N -0.567 122.315 122.820 0.104 0.000 2.799 47 A HA 0.521 4.841 4.320 -0.000 0.000 0.308 47 A C -0.925 176.663 177.584 0.006 0.000 1.108 47 A CA -0.591 51.483 52.037 0.061 0.000 0.600 47 A CB -0.335 18.705 19.000 0.067 0.000 1.452 47 A HN 1.769 nan 8.150 nan 0.000 0.617 48 L N 1.369 122.568 121.223 -0.039 0.000 2.771 48 L HA 0.365 4.705 4.340 -0.000 0.000 0.278 48 L C 1.412 178.170 176.870 -0.186 0.000 1.175 48 L CA 2.686 57.445 54.840 -0.134 0.000 0.973 48 L CB -0.504 41.410 42.059 -0.241 0.000 1.286 48 L HN 2.155 nan 8.230 nan 0.000 0.481 49 G N 1.909 110.507 108.800 -0.338 0.000 2.238 49 G HA2 0.130 4.090 3.960 -0.000 0.000 0.217 49 G HA3 0.130 4.090 3.960 -0.000 0.000 0.217 49 G C 1.012 175.790 174.900 -0.204 0.000 0.996 49 G CA 0.131 44.932 45.100 -0.499 0.000 0.632 49 G HN 1.963 nan 8.290 nan 0.000 0.503 50 G N -1.619 107.127 108.800 -0.090 0.000 2.548 50 G HA2 0.168 4.128 3.960 -0.000 0.000 0.208 50 G HA3 0.168 4.128 3.960 -0.000 0.000 0.208 50 G C 0.678 175.592 174.900 0.024 0.000 1.308 50 G CA 0.730 45.818 45.100 -0.020 0.000 0.924 50 G HN 1.162 nan 8.290 nan 0.000 0.540 51 T N -0.315 114.268 114.554 0.048 0.000 2.777 51 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 51 T C 2.511 177.213 174.700 0.003 0.000 1.040 51 T CA 2.603 64.737 62.100 0.057 0.000 1.141 51 T CB -0.637 68.282 68.868 0.084 0.000 0.868 51 T HN 1.163 nan 8.240 nan 0.000 0.444 52 C N 1.287 120.585 119.300 -0.003 0.000 2.367 52 C HA -0.110 4.350 4.460 -0.000 0.000 0.276 52 C C 2.712 177.673 174.990 -0.049 0.000 1.195 52 C CA 0.966 59.971 59.018 -0.021 0.000 1.756 52 C CB -1.228 26.508 27.740 -0.007 0.000 2.046 52 C HN 0.378 nan 8.230 nan 0.000 0.453 53 V N 1.564 121.457 119.914 -0.036 0.000 2.453 53 V HA -0.121 3.999 4.120 -0.000 0.000 0.247 53 V C 2.321 178.367 176.094 -0.080 0.000 1.048 53 V CA 2.333 64.614 62.300 -0.032 0.000 1.049 53 V CB -0.663 31.171 31.823 0.018 0.000 0.672 53 V HN 0.603 nan 8.190 nan 0.000 0.457 54 N N 0.040 118.703 118.700 -0.062 0.000 2.436 54 N HA 0.038 4.778 4.740 -0.000 0.000 0.178 54 N C 0.857 176.268 175.510 -0.164 0.000 1.026 54 N CA 1.578 54.610 53.050 -0.030 0.000 0.880 54 N CB 1.166 39.712 38.487 0.097 0.000 1.061 54 N HN 0.502 nan 8.380 nan 0.000 0.434 55 V N -2.716 117.073 119.914 -0.209 0.000 3.028 55 V HA 0.724 4.844 4.120 -0.000 0.000 0.418 55 V C 0.217 176.152 176.094 -0.265 0.000 1.433 55 V CA -0.357 61.669 62.300 -0.455 0.000 1.543 55 V CB 0.582 32.407 31.823 0.004 0.000 1.329 55 V HN 0.201 nan 8.190 nan 0.000 0.646 56 G N -0.299 108.345 108.800 -0.260 0.000 3.319 56 G HA2 0.217 4.177 3.960 -0.000 0.000 0.158 56 G HA3 0.217 4.177 3.960 -0.000 0.000 0.158 56 G C 0.763 175.645 174.900 -0.031 0.000 1.205 56 G CA 0.688 45.784 45.100 -0.006 0.000 1.252 56 G HN 0.244 nan 8.290 nan 0.000 0.668 57 C N 0.244 119.526 119.300 -0.031 0.000 2.393 57 C HA -0.006 4.454 4.460 -0.000 0.000 0.276 57 C C 2.884 177.796 174.990 -0.129 0.000 1.215 57 C CA 1.156 60.140 59.018 -0.057 0.000 1.743 57 C CB -1.363 26.354 27.740 -0.038 0.000 2.044 57 C HN 0.284 nan 8.230 nan 0.000 0.464 58 V N 2.481 122.316 119.914 -0.132 0.000 2.244 58 V HA -0.117 4.003 4.120 -0.000 0.000 0.244 58 V C 0.158 176.145 176.094 -0.179 0.000 1.042 58 V CA 2.576 64.785 62.300 -0.151 0.000 1.006 58 V CB -1.804 29.947 31.823 -0.120 0.000 0.641 58 V HN 0.383 nan 8.190 nan 0.000 0.446 59 P HA -0.166 nan 4.420 nan 0.000 0.217 59 P C 1.600 178.862 177.300 -0.063 0.000 1.151 59 P CA 1.353 64.318 63.100 -0.224 0.000 0.828 59 P CB -0.122 31.286 31.700 -0.486 0.000 0.788 60 K N 1.399 121.815 120.400 0.027 0.000 2.032 60 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 60 K C 2.071 178.573 176.600 -0.163 0.000 1.048 60 K CA 1.837 58.130 56.287 0.009 0.000 0.927 60 K CB -0.579 31.945 32.500 0.040 0.000 0.712 60 K HN -0.127 nan 8.250 nan 0.000 0.441 61 K N 1.090 121.354 120.400 -0.226 0.000 2.097 61 K HA -0.008 4.312 4.320 -0.000 0.000 0.206 61 K C 2.288 178.762 176.600 -0.210 0.000 1.049 61 K CA 1.128 57.215 56.287 -0.333 0.000 0.933 61 K CB -0.326 31.904 32.500 -0.450 0.000 0.717 61 K HN 0.211 nan 8.250 nan 0.000 0.442 62 L N -0.224 120.899 121.223 -0.166 0.000 2.046 62 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 62 L C 2.471 179.280 176.870 -0.102 0.000 1.077 62 L CA 1.498 56.266 54.840 -0.120 0.000 0.747 62 L CB -0.333 41.649 42.059 -0.129 0.000 0.896 62 L HN 0.250 nan 8.230 nan 0.000 0.432 63 M N -1.281 118.235 119.600 -0.139 0.000 2.254 63 M HA -0.144 4.336 4.480 -0.000 0.000 0.265 63 M C 2.208 178.454 176.300 -0.090 0.000 1.066 63 M CA 1.082 56.287 55.300 -0.159 0.000 1.123 63 M CB -0.244 32.204 32.600 -0.252 0.000 1.388 63 M HN 0.031 nan 8.290 nan 0.000 0.425 64 V N -0.039 119.802 119.914 -0.122 0.000 2.427 64 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 64 V C 2.288 178.363 176.094 -0.033 0.000 1.051 64 V CA 2.135 64.392 62.300 -0.072 0.000 1.048 64 V CB -1.065 30.715 31.823 -0.072 0.000 0.666 64 V HN 0.490 nan 8.190 nan 0.000 0.456 65 T N 0.520 115.046 114.554 -0.046 0.000 2.720 65 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 65 T C 1.933 176.654 174.700 0.035 0.000 1.037 65 T CA 1.669 63.746 62.100 -0.038 0.000 1.144 65 T CB -0.681 68.177 68.868 -0.016 0.000 0.864 65 T HN 0.628 nan 8.240 nan 0.000 0.444 66 G N 1.083 109.989 108.800 0.176 0.000 2.418 66 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.217 66 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.217 66 G C 1.831 176.964 174.900 0.388 0.000 1.158 66 G CA 0.891 46.238 45.100 0.413 0.000 0.771 66 G HN 0.594 nan 8.290 nan 0.000 0.545 67 A N 0.248 123.251 122.820 0.306 0.000 1.972 67 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 67 A C 2.293 179.869 177.584 -0.014 0.000 1.169 67 A CA 1.851 54.000 52.037 0.186 0.000 0.635 67 A CB -0.393 18.713 19.000 0.176 0.000 0.810 67 A HN 0.457 nan 8.150 nan 0.000 0.446 68 Q N -1.568 118.160 119.800 -0.120 0.000 2.234 68 Q HA -0.218 4.122 4.340 -0.000 0.000 0.206 68 Q C 1.616 177.345 176.000 -0.451 0.000 0.980 68 Q CA 1.733 57.334 55.803 -0.337 0.000 0.869 68 Q CB -0.365 28.114 28.738 -0.432 0.000 0.912 68 Q HN 0.861 nan 8.270 nan 0.000 0.436 69 Y N 0.016 120.261 120.300 -0.090 0.000 2.333 69 Y HA -0.243 4.307 4.550 -0.000 0.000 0.290 69 Y C 2.222 178.091 175.900 -0.051 0.000 1.144 69 Y CA 1.165 59.253 58.100 -0.020 0.000 1.228 69 Y CB -0.369 38.098 38.460 0.012 0.000 0.985 69 Y HN 0.195 nan 8.280 nan 0.000 0.542 70 M N 0.183 119.792 119.600 0.014 0.000 2.089 70 M HA -0.317 4.163 4.480 -0.000 0.000 0.257 70 M C 1.169 177.486 176.300 0.028 0.000 1.071 70 M CA 2.342 57.643 55.300 0.001 0.000 1.096 70 M CB -0.116 32.461 32.600 -0.038 0.000 1.330 70 M HN 0.163 nan 8.290 nan 0.000 0.403 71 D N -0.782 119.593 120.400 -0.043 0.000 2.091 71 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 71 D C 1.933 178.263 176.300 0.050 0.000 0.980 71 D CA 1.282 55.266 54.000 -0.026 0.000 0.831 71 D CB -0.680 40.043 40.800 -0.127 0.000 0.987 71 D HN 0.454 nan 8.370 nan 0.000 0.460 72 H N 0.343 119.440 119.070 0.044 0.000 2.353 72 H HA -0.072 4.484 4.556 -0.000 0.000 0.298 72 H C 2.321 177.717 175.328 0.114 0.000 1.103 72 H CA 0.799 56.878 56.048 0.051 0.000 1.293 72 H CB -0.574 29.191 29.762 0.005 0.000 1.372 72 H HN 0.191 nan 8.280 nan 0.000 0.501 73 L N -0.059 121.321 121.223 0.261 0.000 2.072 73 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 73 L C 2.842 179.944 176.870 0.387 0.000 1.079 73 L CA 1.003 56.023 54.840 0.300 0.000 0.752 73 L CB -0.323 41.889 42.059 0.255 0.000 0.906 73 L HN 0.135 nan 8.230 nan 0.000 0.436 74 R N 0.884 121.544 120.500 0.265 0.000 2.070 74 R HA -0.188 4.152 4.340 -0.000 0.000 0.233 74 R C 2.033 178.473 176.300 0.233 0.000 1.137 74 R CA 1.793 58.020 56.100 0.211 0.000 0.945 74 R CB -0.100 30.291 30.300 0.151 0.000 0.845 74 R HN 0.365 nan 8.270 nan 0.000 0.430 75 E N 0.189 120.542 120.200 0.255 0.000 2.274 75 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 75 E C 1.915 178.767 176.600 0.420 0.000 0.996 75 E CA 1.102 57.691 56.400 0.315 0.000 0.840 75 E CB 0.101 30.003 29.700 0.337 0.000 0.772 75 E HN 0.490 nan 8.360 nan 0.000 0.491 76 S N 1.115 117.036 115.700 0.369 0.000 2.383 76 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 76 S C 2.259 177.192 174.600 0.555 0.000 1.030 76 S CA 0.943 59.399 58.200 0.428 0.000 1.002 76 S CB -0.256 63.113 63.200 0.281 0.000 0.829 76 S HN 0.284 nan 8.310 nan 0.000 0.467 77 A N 1.799 124.849 122.820 0.383 0.000 1.978 77 A HA 0.156 4.476 4.320 -0.000 0.000 0.220 77 A C 2.372 180.083 177.584 0.210 0.000 1.170 77 A CA 1.568 53.759 52.037 0.256 0.000 0.636 77 A CB -1.724 17.334 19.000 0.098 0.000 0.810 77 A HN 0.721 nan 8.150 nan 0.000 0.448 78 G N -2.013 106.909 108.800 0.202 0.000 2.509 78 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.218 78 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.218 78 G C 0.827 175.601 174.900 -0.210 0.000 1.124 78 G CA 0.650 45.730 45.100 -0.033 0.000 0.776 78 G HN 0.490 nan 8.290 nan 0.000 0.547 79 F N 0.121 120.175 119.950 0.173 0.000 2.647 79 F HA 0.395 4.922 4.527 -0.000 0.000 0.300 79 F C 1.738 177.591 175.800 0.088 0.000 1.106 79 F CA 0.140 58.241 58.000 0.168 0.000 1.313 79 F CB 0.764 39.928 39.000 0.273 0.000 1.007 79 F HN 0.169 nan 8.300 nan 0.000 0.536 80 G N -0.866 108.027 108.800 0.156 0.000 2.157 80 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.248 80 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.248 80 G C -0.125 174.710 174.900 -0.109 0.000 0.979 80 G CA -0.676 44.410 45.100 -0.024 0.000 0.650 80 G HN 0.290 nan 8.290 nan 0.000 0.529 81 W N 1.355 122.754 121.300 0.165 0.000 2.253 81 W HA 0.590 5.250 4.660 -0.000 0.000 0.322 81 W C 0.709 177.329 176.519 0.169 0.000 1.342 81 W CA -0.135 57.329 57.345 0.198 0.000 1.218 81 W CB 0.548 30.169 29.460 0.269 0.000 1.205 81 W HN 0.182 nan 8.180 nan 0.000 0.551 82 E N 3.479 123.884 120.200 0.341 0.000 2.248 82 E HA 0.617 4.967 4.350 -0.000 0.000 0.267 82 E C -0.942 175.841 176.600 0.305 0.000 0.877 82 E CA -0.942 55.550 56.400 0.154 0.000 0.759 82 E CB 1.787 31.526 29.700 0.063 0.000 1.182 82 E HN 0.296 nan 8.360 nan 0.000 0.418 83 F N -1.285 118.740 119.950 0.124 0.000 2.773 83 F HA 0.346 4.873 4.527 -0.000 0.000 0.314 83 F C -1.037 174.807 175.800 0.075 0.000 1.160 83 F CA -1.467 56.593 58.000 0.102 0.000 0.920 83 F CB 0.667 39.735 39.000 0.113 0.000 1.323 83 F HN 0.150 nan 8.300 nan 0.000 0.457 84 D N 1.211 121.768 120.400 0.261 0.000 2.367 84 D HA 0.252 4.892 4.640 -0.000 0.000 0.255 84 D C 1.261 177.654 176.300 0.156 0.000 1.300 84 D CA 0.715 54.795 54.000 0.134 0.000 0.959 84 D CB 1.166 42.044 40.800 0.131 0.000 1.064 84 D HN 0.851 nan 8.370 nan 0.000 0.509 85 G N 2.337 111.125 108.800 -0.021 0.000 2.422 85 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 85 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 85 G C 1.486 176.434 174.900 0.080 0.000 1.140 85 G CA 0.895 46.002 45.100 0.012 0.000 0.775 85 G HN 0.551 nan 8.290 nan 0.000 0.545 86 S N 1.031 116.763 115.700 0.054 0.000 2.507 86 S HA -0.081 4.389 4.470 -0.000 0.000 0.235 86 S C 2.212 176.854 174.600 0.071 0.000 0.988 86 S CA 1.497 59.729 58.200 0.053 0.000 0.944 86 S CB -0.327 62.895 63.200 0.036 0.000 0.762 86 S HN 0.509 nan 8.310 nan 0.000 0.526 87 S N 0.462 116.221 115.700 0.099 0.000 2.593 87 S HA 0.243 4.713 4.470 -0.000 0.000 0.217 87 S C 0.439 175.097 174.600 0.096 0.000 0.966 87 S CA -0.351 57.905 58.200 0.093 0.000 0.914 87 S CB -0.513 62.746 63.200 0.100 0.000 0.776 87 S HN 0.289 nan 8.310 nan 0.000 0.523 88 V N 2.692 122.680 119.914 0.122 0.000 2.529 88 V HA 0.339 4.459 4.120 -0.000 0.000 0.292 88 V C 0.091 176.225 176.094 0.066 0.000 1.028 88 V CA 0.098 62.460 62.300 0.105 0.000 1.074 88 V CB 0.404 32.318 31.823 0.152 0.000 0.958 88 V HN 0.536 nan 8.190 nan 0.000 0.481 89 K N 4.129 124.558 120.400 0.048 0.000 2.498 89 K HA 0.759 5.079 4.320 -0.000 0.000 0.254 89 K C -0.824 175.800 176.600 0.040 0.000 0.933 89 K CA -0.656 55.660 56.287 0.048 0.000 0.806 89 K CB 2.014 34.550 32.500 0.060 0.000 1.301 89 K HN 0.696 nan 8.250 nan 0.000 0.432 90 A N 3.581 126.424 122.820 0.038 0.000 2.316 90 A HA 0.243 4.563 4.320 -0.000 0.000 0.311 90 A C -0.649 177.088 177.584 0.255 0.000 1.339 90 A CA -0.613 51.447 52.037 0.038 0.000 0.960 90 A CB 0.024 18.900 19.000 -0.206 0.000 1.152 90 A HN 0.699 nan 8.150 nan 0.000 0.547 91 N N 3.346 122.214 118.700 0.280 0.000 2.439 91 N HA -0.017 4.723 4.740 -0.000 0.000 0.243 91 N C 0.854 176.598 175.510 0.391 0.000 1.088 91 N CA -0.513 52.708 53.050 0.285 0.000 0.940 91 N CB 0.226 38.809 38.487 0.161 0.000 1.180 91 N HN 0.886 nan 8.380 nan 0.000 0.505 92 W N 5.083 126.518 121.300 0.225 0.000 2.358 92 W HA -0.139 4.521 4.660 -0.000 0.000 0.303 92 W C 0.773 177.299 176.519 0.013 0.000 1.208 92 W CA 1.095 58.481 57.345 0.069 0.000 1.274 92 W CB 0.258 29.773 29.460 0.092 0.000 1.138 92 W HN 0.503 nan 8.180 nan 0.000 0.515 93 K N 0.410 120.925 120.400 0.191 0.000 2.057 93 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 93 K C 2.143 178.719 176.600 -0.040 0.000 1.049 93 K CA 1.583 57.905 56.287 0.058 0.000 0.931 93 K CB -0.304 32.273 32.500 0.129 0.000 0.714 93 K HN 0.050 nan 8.250 nan 0.000 0.440 94 K N 0.735 121.134 120.400 -0.001 0.000 2.057 94 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 94 K C 2.160 178.697 176.600 -0.105 0.000 1.049 94 K CA 0.915 57.184 56.287 -0.030 0.000 0.931 94 K CB -0.234 32.273 32.500 0.013 0.000 0.714 94 K HN 0.037 nan 8.250 nan 0.000 0.440 95 L N 1.609 122.731 121.223 -0.168 0.000 2.012 95 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 95 L C 1.973 178.613 176.870 -0.384 0.000 1.073 95 L CA 1.641 56.303 54.840 -0.297 0.000 0.748 95 L CB -0.357 41.375 42.059 -0.545 0.000 0.891 95 L HN 0.090 nan 8.230 nan 0.000 0.431 96 I N -0.052 120.216 120.570 -0.505 0.000 2.252 96 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 96 I C 2.678 178.653 176.117 -0.236 0.000 1.102 96 I CA 1.362 62.381 61.300 -0.469 0.000 1.385 96 I CB -1.968 35.710 38.000 -0.536 0.000 1.064 96 I HN 0.373 nan 8.210 nan 0.000 0.414 97 A N 0.929 123.657 122.820 -0.155 0.000 1.902 97 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 97 A C 2.583 180.117 177.584 -0.084 0.000 1.181 97 A CA 1.970 53.963 52.037 -0.073 0.000 0.623 97 A CB -0.787 18.192 19.000 -0.035 0.000 0.818 97 A HN 0.393 nan 8.150 nan 0.000 0.443 98 A N -0.088 122.669 122.820 -0.106 0.000 1.877 98 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 98 A C 2.188 179.697 177.584 -0.126 0.000 1.186 98 A CA 2.027 54.006 52.037 -0.098 0.000 0.620 98 A CB -0.462 18.483 19.000 -0.091 0.000 0.822 98 A HN 0.427 nan 8.150 nan 0.000 0.443 99 K N 0.183 120.478 120.400 -0.175 0.000 2.032 99 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 99 K C 1.592 178.051 176.600 -0.235 0.000 1.048 99 K CA 1.931 58.093 56.287 -0.209 0.000 0.927 99 K CB -0.550 31.796 32.500 -0.257 0.000 0.712 99 K HN 0.422 nan 8.250 nan 0.000 0.441 100 N N 1.602 120.176 118.700 -0.209 0.000 2.036 100 N HA -0.207 4.533 4.740 -0.000 0.000 0.195 100 N C 1.769 177.202 175.510 -0.129 0.000 1.037 100 N CA 1.664 54.593 53.050 -0.202 0.000 0.855 100 N CB -0.530 37.992 38.487 0.060 0.000 1.033 100 N HN 0.343 nan 8.380 nan 0.000 0.423 101 E N 0.803 120.967 120.200 -0.060 0.000 2.085 101 E HA -0.033 4.317 4.350 -0.000 0.000 0.194 101 E C 1.737 178.301 176.600 -0.059 0.000 0.994 101 E CA 1.472 57.855 56.400 -0.030 0.000 0.801 101 E CB -0.449 29.235 29.700 -0.027 0.000 0.743 101 E HN 0.340 nan 8.360 nan 0.000 0.453 102 A N -0.113 122.650 122.820 -0.095 0.000 1.930 102 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 102 A C 2.495 180.014 177.584 -0.107 0.000 1.175 102 A CA 1.425 53.405 52.037 -0.095 0.000 0.627 102 A CB -0.607 18.330 19.000 -0.104 0.000 0.815 102 A HN 0.193 nan 8.150 nan 0.000 0.443 103 V N -0.265 119.545 119.914 -0.172 0.000 2.343 103 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 103 V C 2.474 178.533 176.094 -0.058 0.000 1.051 103 V CA 1.878 64.069 62.300 -0.182 0.000 1.036 103 V CB -0.738 30.854 31.823 -0.385 0.000 0.654 103 V HN 0.579 nan 8.190 nan 0.000 0.451 104 L N 0.312 121.527 121.223 -0.013 0.000 2.083 104 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 104 L C 2.059 178.956 176.870 0.045 0.000 1.083 104 L CA 2.008 56.919 54.840 0.119 0.000 0.752 104 L CB -0.832 41.320 42.059 0.155 0.000 0.899 104 L HN 0.290 nan 8.230 nan 0.000 0.433 105 D N -0.305 120.095 120.400 0.000 0.000 2.104 105 D HA -0.196 4.444 4.640 -0.000 0.000 0.194 105 D C 2.278 178.561 176.300 -0.028 0.000 0.994 105 D CA 1.921 55.908 54.000 -0.021 0.000 0.830 105 D CB -0.158 40.616 40.800 -0.042 0.000 0.959 105 D HN 0.427 nan 8.370 nan 0.000 0.452 106 I N 1.306 121.863 120.570 -0.022 0.000 2.163 106 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 106 I C 2.072 178.240 176.117 0.086 0.000 1.085 106 I CA 0.844 62.139 61.300 -0.008 0.000 1.347 106 I CB -0.343 37.670 38.000 0.021 0.000 1.044 106 I HN -0.031 nan 8.210 nan 0.000 0.408 107 N N 1.408 120.177 118.700 0.116 0.000 2.061 107 N HA -0.225 4.515 4.740 -0.000 0.000 0.193 107 N C 1.785 177.341 175.510 0.077 0.000 1.030 107 N CA 1.586 54.713 53.050 0.128 0.000 0.856 107 N CB -0.395 38.146 38.487 0.090 0.000 1.023 107 N HN 0.446 nan 8.380 nan 0.000 0.424 108 K N 0.450 120.868 120.400 0.030 0.000 2.211 108 K HA -0.008 4.312 4.320 -0.000 0.000 0.203 108 K C 2.172 178.762 176.600 -0.017 0.000 1.050 108 K CA 0.886 57.173 56.287 0.001 0.000 0.945 108 K CB -0.070 32.425 32.500 -0.008 0.000 0.732 108 K HN 0.095 nan 8.250 nan 0.000 0.451 109 S N -0.253 115.415 115.700 -0.053 0.000 2.446 109 S HA -0.067 4.403 4.470 -0.000 0.000 0.225 109 S C 1.731 176.221 174.600 -0.183 0.000 1.016 109 S CA 0.430 58.547 58.200 -0.138 0.000 0.943 109 S CB -0.118 62.958 63.200 -0.205 0.000 0.786 109 S HN 0.273 nan 8.310 nan 0.000 0.508 110 Y N 2.004 122.274 120.300 -0.050 0.000 2.263 110 Y HA 0.125 4.675 4.550 -0.000 0.000 0.292 110 Y C 2.512 178.454 175.900 0.069 0.000 1.130 110 Y CA 1.316 59.407 58.100 -0.016 0.000 1.179 110 Y CB -0.379 38.082 38.460 0.002 0.000 0.998 110 Y HN 0.365 nan 8.280 nan 0.000 0.532 111 E N -0.416 119.868 120.200 0.140 0.000 2.058 111 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 111 E C 2.542 179.201 176.600 0.098 0.000 0.997 111 E CA 1.083 57.521 56.400 0.063 0.000 0.801 111 E CB -0.589 29.094 29.700 -0.029 0.000 0.746 111 E HN 0.566 nan 8.360 nan 0.000 0.450 112 G N 1.565 110.390 108.800 0.042 0.000 2.513 112 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.219 112 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.219 112 G C 1.519 176.447 174.900 0.046 0.000 1.160 112 G CA 1.204 46.319 45.100 0.024 0.000 0.767 112 G HN 0.212 nan 8.290 nan 0.000 0.571 113 M N -0.782 118.833 119.600 0.025 0.000 2.080 113 M HA -0.019 4.461 4.480 -0.000 0.000 0.260 113 M C 2.382 178.720 176.300 0.065 0.000 1.068 113 M CA 1.597 56.905 55.300 0.012 0.000 1.109 113 M CB -0.258 32.273 32.600 -0.114 0.000 1.342 113 M HN 0.204 nan 8.290 nan 0.000 0.405 114 F N 1.341 121.346 119.950 0.092 0.000 2.069 114 F HA -0.265 4.262 4.527 -0.000 0.000 0.298 114 F C 2.313 178.151 175.800 0.065 0.000 1.113 114 F CA 1.847 59.901 58.000 0.089 0.000 1.214 114 F CB -0.976 38.054 39.000 0.049 0.000 0.978 114 F HN 0.311 nan 8.300 nan 0.000 0.474 115 N N 0.047 118.881 118.700 0.223 0.000 2.149 115 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 115 N C 1.038 176.606 175.510 0.096 0.000 1.019 115 N CA 1.594 54.721 53.050 0.128 0.000 0.857 115 N CB -0.518 38.018 38.487 0.081 0.000 0.997 115 N HN 0.307 nan 8.380 nan 0.000 0.426 116 D N -0.347 120.107 120.400 0.091 0.000 2.339 116 D HA 0.066 4.706 4.640 -0.000 0.000 0.217 116 D C -0.148 176.197 176.300 0.075 0.000 1.050 116 D CA 0.420 54.463 54.000 0.072 0.000 0.856 116 D CB 0.303 41.142 40.800 0.064 0.000 0.922 116 D HN 0.051 nan 8.370 nan 0.000 0.518 117 T N 1.029 115.634 114.554 0.085 0.000 2.786 117 T HA 0.267 4.617 4.350 -0.000 0.000 0.283 117 T C 0.063 174.780 174.700 0.029 0.000 0.992 117 T CA -0.685 61.439 62.100 0.039 0.000 0.954 117 T CB 2.112 71.006 68.868 0.044 0.000 0.934 117 T HN -0.099 nan 8.240 nan 0.000 0.440 118 E N 1.371 121.569 120.200 -0.003 0.000 2.316 118 E HA 0.420 4.770 4.350 -0.000 0.000 0.275 118 E C 1.094 177.700 176.600 0.009 0.000 1.029 118 E CA 0.021 56.428 56.400 0.012 0.000 0.871 118 E CB 0.647 30.343 29.700 -0.005 0.000 1.022 118 E HN 0.993 nan 8.360 nan 0.000 0.418 119 G N 2.855 111.694 108.800 0.065 0.000 2.136 119 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.242 119 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.242 119 G C -0.324 174.654 174.900 0.131 0.000 0.989 119 G CA 0.019 45.177 45.100 0.097 0.000 0.682 119 G HN 0.362 nan 8.290 nan 0.000 0.522 120 L N 1.674 122.980 121.223 0.138 0.000 2.388 120 L HA 0.605 4.945 4.340 -0.000 0.000 0.267 120 L C -0.894 176.188 176.870 0.353 0.000 0.995 120 L CA -1.159 53.790 54.840 0.181 0.000 0.864 120 L CB 1.074 43.144 42.059 0.018 0.000 1.216 120 L HN 0.149 nan 8.230 nan 0.000 0.430 121 D N 3.609 124.228 120.400 0.365 0.000 2.342 121 D HA 0.326 4.966 4.640 -0.000 0.000 0.243 121 D C -1.352 174.952 176.300 0.007 0.000 1.019 121 D CA -0.200 53.927 54.000 0.211 0.000 0.864 121 D CB 2.633 43.470 40.800 0.062 0.000 1.315 121 D HN 0.295 nan 8.370 nan 0.000 0.468 122 F N 1.829 121.423 119.950 -0.593 0.000 2.469 122 F HA 0.521 5.048 4.527 -0.000 0.000 0.332 122 F C -1.585 173.698 175.800 -0.862 0.000 1.103 122 F CA -0.772 56.711 58.000 -0.862 0.000 0.979 122 F CB 0.821 39.025 39.000 -1.328 0.000 1.137 122 F HN 0.132 nan 8.300 nan 0.000 0.463 123 F N 6.893 126.157 119.950 -1.144 0.000 2.507 123 F HA 0.430 4.957 4.527 -0.000 0.000 0.328 123 F C -0.848 174.262 175.800 -1.150 0.000 1.136 123 F CA -1.017 56.479 58.000 -0.840 0.000 0.930 123 F CB 1.649 40.381 39.000 -0.446 0.000 1.166 123 F HN 0.317 nan 8.300 nan 0.000 0.436 124 L N 3.813 124.696 121.223 -0.567 0.000 2.313 124 L HA 0.800 5.140 4.340 -0.000 0.000 0.282 124 L C 0.180 176.941 176.870 -0.182 0.000 1.092 124 L CA 0.692 55.331 54.840 -0.335 0.000 0.831 124 L CB -0.048 42.003 42.059 -0.013 0.000 1.159 124 L HN 0.787 nan 8.230 nan 0.000 0.442 125 G N 3.272 111.927 108.800 -0.240 0.000 2.350 125 G HA2 0.011 3.971 3.960 -0.000 0.000 0.276 125 G HA3 0.011 3.971 3.960 -0.000 0.000 0.276 125 G C -2.122 172.570 174.900 -0.347 0.000 1.313 125 G CA -0.771 44.231 45.100 -0.162 0.000 0.903 125 G HN 0.439 nan 8.290 nan 0.000 0.490 126 W N 1.397 122.607 121.300 -0.151 0.000 2.278 126 W HA 0.589 5.249 4.660 -0.000 0.000 0.317 126 W C 0.665 177.103 176.519 -0.135 0.000 1.030 126 W CA 0.136 57.380 57.345 -0.167 0.000 1.334 126 W CB 1.745 31.095 29.460 -0.183 0.000 1.215 126 W HN 0.833 nan 8.180 nan 0.000 0.405 127 G N 2.232 111.035 108.800 0.006 0.000 2.372 127 G HA2 0.544 4.504 3.960 -0.000 0.000 0.283 127 G HA3 0.544 4.504 3.960 -0.000 0.000 0.283 127 G C -0.383 174.533 174.900 0.025 0.000 1.177 127 G CA -0.335 44.758 45.100 -0.012 0.000 0.842 127 G HN 0.397 nan 8.290 nan 0.000 0.503 128 S N 0.743 116.448 115.700 0.007 0.000 2.638 128 S HA 0.599 5.069 4.470 -0.000 0.000 0.274 128 S C -1.110 173.483 174.600 -0.012 0.000 1.157 128 S CA -0.965 57.237 58.200 0.004 0.000 0.826 128 S CB 1.465 64.668 63.200 0.006 0.000 1.139 128 S HN 0.322 nan 8.310 nan 0.000 0.474 129 L N 2.213 123.429 121.223 -0.011 0.000 2.325 129 L HA 0.436 4.776 4.340 -0.000 0.000 0.284 129 L C 1.602 178.460 176.870 -0.020 0.000 1.089 129 L CA 0.418 55.248 54.840 -0.016 0.000 0.836 129 L CB 0.034 42.084 42.059 -0.016 0.000 1.184 129 L HN 1.041 nan 8.230 nan 0.000 0.444 130 E N 1.870 122.057 120.200 -0.022 0.000 2.122 130 E HA 0.006 4.356 4.350 -0.000 0.000 0.190 130 E C 0.117 176.704 176.600 -0.022 0.000 0.977 130 E CA 0.771 57.158 56.400 -0.022 0.000 0.820 130 E CB 0.557 30.242 29.700 -0.024 0.000 0.770 130 E HN 0.707 nan 8.360 nan 0.000 0.462 131 S N -1.945 113.741 115.700 -0.022 0.000 2.611 131 S HA 0.250 4.720 4.470 -0.000 0.000 0.268 131 S C 0.243 174.826 174.600 -0.027 0.000 1.156 131 S CA -0.837 57.349 58.200 -0.024 0.000 0.817 131 S CB 1.203 64.389 63.200 -0.023 0.000 1.122 131 S HN 0.028 nan 8.310 nan 0.000 0.466 132 K N 0.825 121.206 120.400 -0.033 0.000 2.192 132 K HA -0.265 4.055 4.320 -0.000 0.000 0.214 132 K C 0.435 177.011 176.600 -0.041 0.000 1.046 132 K CA 2.569 58.831 56.287 -0.043 0.000 0.937 132 K CB -0.558 31.914 32.500 -0.046 0.000 0.734 132 K HN 0.703 nan 8.250 nan 0.000 0.473 133 N N -1.131 117.552 118.700 -0.029 0.000 2.241 133 N HA 0.089 4.829 4.740 -0.000 0.000 0.238 133 N C -1.565 173.944 175.510 -0.002 0.000 1.244 133 N CA -0.197 52.843 53.050 -0.018 0.000 0.880 133 N CB 1.619 40.092 38.487 -0.023 0.000 1.179 133 N HN -0.177 nan 8.380 nan 0.000 0.513 134 V N 1.270 121.178 119.914 -0.009 0.000 2.409 134 V HA 0.381 4.501 4.120 -0.000 0.000 0.290 134 V C -0.243 175.840 176.094 -0.018 0.000 1.017 134 V CA -0.904 61.391 62.300 -0.009 0.000 0.841 134 V CB 1.849 33.662 31.823 -0.016 0.000 1.003 134 V HN -0.201 nan 8.190 nan 0.000 0.426 135 V N 5.773 125.672 119.914 -0.024 0.000 2.406 135 V HA 0.364 4.484 4.120 -0.000 0.000 0.272 135 V C 0.158 176.214 176.094 -0.063 0.000 1.043 135 V CA -0.387 61.888 62.300 -0.042 0.000 0.915 135 V CB 1.766 33.558 31.823 -0.052 0.000 0.988 135 V HN 0.646 nan 8.190 nan 0.000 0.466 136 V N 6.039 125.923 119.914 -0.051 0.000 2.439 136 V HA 0.383 4.503 4.120 -0.000 0.000 0.282 136 V C 0.023 176.083 176.094 -0.058 0.000 1.039 136 V CA -0.562 61.704 62.300 -0.056 0.000 0.913 136 V CB 1.668 33.470 31.823 -0.036 0.000 0.983 136 V HN 0.588 nan 8.190 nan 0.000 0.460 137 V N 6.136 126.002 119.914 -0.079 0.000 2.347 137 V HA 0.514 4.634 4.120 -0.000 0.000 0.280 137 V C 0.266 176.353 176.094 -0.011 0.000 1.021 137 V CA -0.604 61.661 62.300 -0.059 0.000 0.847 137 V CB 1.047 32.798 31.823 -0.119 0.000 0.990 137 V HN 0.842 nan 8.190 nan 0.000 0.444 138 R N 2.417 122.945 120.500 0.046 0.000 2.856 138 R HA 0.478 4.818 4.340 -0.000 0.000 0.258 138 R C 0.795 177.166 176.300 0.119 0.000 1.066 138 R CA -0.859 55.274 56.100 0.054 0.000 1.045 138 R CB 1.628 31.940 30.300 0.020 0.000 1.178 138 R HN 0.631 nan 8.270 nan 0.000 0.499 139 E N 0.404 120.653 120.200 0.081 0.000 2.106 139 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 139 E C 0.721 177.416 176.600 0.158 0.000 0.984 139 E CA 1.601 58.071 56.400 0.117 0.000 0.806 139 E CB 0.208 29.945 29.700 0.062 0.000 0.750 139 E HN 0.661 nan 8.360 nan 0.000 0.458 140 T N -4.357 110.158 114.554 -0.065 0.000 2.804 140 T HA 0.582 4.932 4.350 -0.000 0.000 0.290 140 T C 0.935 175.025 174.700 -1.017 0.000 1.099 140 T CA -0.212 61.581 62.100 -0.512 0.000 1.011 140 T CB 1.628 70.307 68.868 -0.314 0.000 1.291 140 T HN -0.103 nan 8.240 nan 0.000 0.523 141 A N 0.059 121.852 122.820 -1.712 0.000 2.024 141 A HA 0.056 4.376 4.320 -0.000 0.000 0.220 141 A C 1.122 178.353 177.584 -0.587 0.000 1.164 141 A CA 1.191 52.398 52.037 -1.384 0.000 0.643 141 A CB -1.005 17.100 19.000 -1.491 0.000 0.806 141 A HN 0.868 nan 8.150 nan 0.000 0.451 142 D N 0.182 120.316 120.400 -0.443 0.000 2.382 142 D HA 0.087 4.727 4.640 -0.000 0.000 0.259 142 D C -1.556 174.636 176.300 -0.181 0.000 1.224 142 D CA -1.597 52.254 54.000 -0.249 0.000 0.894 142 D CB 1.077 41.760 40.800 -0.195 0.000 1.127 142 D HN 0.140 nan 8.370 nan 0.000 0.487 143 P HA -0.088 nan 4.420 nan 0.000 0.228 143 P C 0.421 177.680 177.300 -0.069 0.000 1.151 143 P CA 0.849 63.895 63.100 -0.089 0.000 0.770 143 P CB 0.223 31.881 31.700 -0.071 0.000 0.786 144 K N -0.110 120.247 120.400 -0.073 0.000 2.404 144 K HA 0.093 4.413 4.320 -0.000 0.000 0.194 144 K C 1.163 177.733 176.600 -0.051 0.000 1.023 144 K CA -0.007 56.247 56.287 -0.054 0.000 1.094 144 K CB -0.028 32.443 32.500 -0.050 0.000 0.841 144 K HN 0.182 nan 8.250 nan 0.000 0.523 145 S N 0.953 116.615 115.700 -0.064 0.000 2.589 145 S HA 0.364 4.834 4.470 -0.000 0.000 0.265 145 S C 0.490 175.072 174.600 -0.030 0.000 1.342 145 S CA -0.911 57.258 58.200 -0.052 0.000 1.005 145 S CB 0.961 64.117 63.200 -0.073 0.000 0.909 145 S HN 0.206 nan 8.310 nan 0.000 0.555 146 A N 1.196 124.007 122.820 -0.015 0.000 2.445 146 A HA 0.473 4.793 4.320 -0.000 0.000 0.242 146 A C 0.159 177.742 177.584 -0.002 0.000 1.075 146 A CA -0.614 51.420 52.037 -0.006 0.000 0.777 146 A CB -0.174 18.827 19.000 0.002 0.000 1.013 146 A HN 0.863 nan 8.150 nan 0.000 0.493 147 V N 2.765 122.676 119.914 -0.005 0.000 2.583 147 V HA 0.133 4.253 4.120 -0.000 0.000 0.287 147 V C 0.991 177.084 176.094 -0.002 0.000 1.051 147 V CA 0.160 62.456 62.300 -0.008 0.000 1.010 147 V CB 1.238 33.051 31.823 -0.016 0.000 0.988 147 V HN 1.059 nan 8.190 nan 0.000 0.478 148 K N 2.373 122.770 120.400 -0.004 0.000 2.287 148 K HA 0.305 4.625 4.320 -0.000 0.000 0.199 148 K C 0.071 176.659 176.600 -0.019 0.000 1.061 148 K CA 0.277 56.566 56.287 0.003 0.000 0.976 148 K CB 0.545 33.056 32.500 0.018 0.000 0.898 148 K HN 0.632 nan 8.250 nan 0.000 0.492 149 E N 0.422 120.583 120.200 -0.065 0.000 2.423 149 E HA 0.329 4.679 4.350 -0.000 0.000 0.280 149 E C -1.240 175.284 176.600 -0.127 0.000 1.030 149 E CA -0.622 55.705 56.400 -0.123 0.000 0.812 149 E CB 2.176 31.705 29.700 -0.284 0.000 1.313 149 E HN -0.008 nan 8.360 nan 0.000 0.456 150 R N 1.020 121.447 120.500 -0.121 0.000 2.502 150 R HA 0.504 4.844 4.340 -0.000 0.000 0.298 150 R C -0.667 175.582 176.300 -0.084 0.000 1.018 150 R CA -0.421 55.625 56.100 -0.090 0.000 0.899 150 R CB 1.327 31.597 30.300 -0.050 0.000 1.181 150 R HN 0.250 nan 8.270 nan 0.000 0.444 151 L N 3.597 124.766 121.223 -0.091 0.000 2.307 151 L HA 0.437 4.777 4.340 -0.000 0.000 0.284 151 L C 0.219 177.126 176.870 0.061 0.000 1.023 151 L CA -0.929 53.907 54.840 -0.007 0.000 0.810 151 L CB 1.602 43.566 42.059 -0.158 0.000 1.231 151 L HN 0.526 nan 8.230 nan 0.000 0.423 152 Q N 2.462 122.341 119.800 0.132 0.000 2.204 152 Q HA 0.890 5.230 4.340 -0.000 0.000 0.254 152 Q C -0.911 175.191 176.000 0.169 0.000 0.981 152 Q CA -1.068 54.793 55.803 0.097 0.000 0.897 152 Q CB 2.537 31.301 28.738 0.044 0.000 1.273 152 Q HN 0.658 nan 8.270 nan 0.000 0.464 153 A N 1.180 124.067 122.820 0.111 0.000 2.480 153 A HA 0.285 4.605 4.320 -0.000 0.000 0.289 153 A C -0.751 176.875 177.584 0.070 0.000 1.044 153 A CA -0.690 51.432 52.037 0.142 0.000 0.761 153 A CB 1.301 20.372 19.000 0.117 0.000 1.289 153 A HN 0.750 nan 8.150 nan 0.000 0.401 154 D N 0.897 121.346 120.400 0.082 0.000 2.144 154 D HA -0.006 4.634 4.640 -0.000 0.000 0.200 154 D C 0.109 176.213 176.300 -0.326 0.000 0.978 154 D CA 1.740 55.676 54.000 -0.106 0.000 0.833 154 D CB 0.093 40.873 40.800 -0.033 0.000 0.961 154 D HN 0.678 nan 8.370 nan 0.000 0.470 155 H N -0.878 118.310 119.070 0.196 0.000 2.771 155 H HA 0.443 4.999 4.556 -0.000 0.000 0.361 155 H C -0.297 175.170 175.328 0.231 0.000 1.108 155 H CA -0.523 55.673 56.048 0.247 0.000 1.201 155 H CB 2.062 32.026 29.762 0.337 0.000 1.681 155 H HN -0.147 nan 8.280 nan 0.000 0.534 156 I N 3.681 124.432 120.570 0.302 0.000 2.466 156 I HA 0.142 4.312 4.170 -0.000 0.000 0.289 156 I C -0.813 175.461 176.117 0.262 0.000 1.026 156 I CA -0.873 60.546 61.300 0.199 0.000 1.078 156 I CB 2.512 40.555 38.000 0.071 0.000 1.249 156 I HN 0.152 nan 8.210 nan 0.000 0.429 157 L N 7.766 129.132 121.223 0.239 0.000 2.305 157 L HA 0.516 4.856 4.340 -0.000 0.000 0.284 157 L C -0.936 176.018 176.870 0.141 0.000 1.013 157 L CA -0.253 54.727 54.840 0.234 0.000 0.819 157 L CB 1.331 43.520 42.059 0.217 0.000 1.227 157 L HN 0.435 nan 8.230 nan 0.000 0.417 158 L N 6.257 127.555 121.223 0.125 0.000 2.261 158 L HA 0.643 4.983 4.340 -0.000 0.000 0.289 158 L C 0.423 177.344 176.870 0.085 0.000 1.059 158 L CA -0.247 54.643 54.840 0.083 0.000 0.816 158 L CB 1.031 43.129 42.059 0.065 0.000 1.191 158 L HN 0.852 nan 8.230 nan 0.000 0.431 159 A N 1.163 124.026 122.820 0.071 0.000 3.045 159 A HA 0.256 4.576 4.320 -0.000 0.000 0.244 159 A C 0.933 178.549 177.584 0.053 0.000 0.917 159 A CA -0.257 51.822 52.037 0.070 0.000 1.075 159 A CB -0.097 18.951 19.000 0.080 0.000 1.202 159 A HN 0.697 nan 8.150 nan 0.000 0.486 160 T N -2.919 111.663 114.554 0.047 0.000 3.148 160 T HA 0.431 4.781 4.350 -0.000 0.000 0.253 160 T C 1.374 176.115 174.700 0.068 0.000 1.134 160 T CA 0.971 63.093 62.100 0.036 0.000 1.051 160 T CB -0.281 68.600 68.868 0.022 0.000 0.959 160 T HN 1.970 nan 8.240 nan 0.000 0.525 161 G N 1.845 110.694 108.800 0.080 0.000 2.564 161 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.273 161 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.273 161 G C 0.042 175.023 174.900 0.135 0.000 1.242 161 G CA 0.247 45.411 45.100 0.105 0.000 0.951 161 G HN 1.516 nan 8.290 nan 0.000 0.564 162 S N -1.705 114.106 115.700 0.184 0.000 2.851 162 S HA 0.827 5.297 4.470 -0.000 0.000 0.317 162 S C -0.884 173.953 174.600 0.394 0.000 1.144 162 S CA 0.202 58.538 58.200 0.226 0.000 0.862 162 S CB 2.654 65.948 63.200 0.156 0.000 1.259 162 S HN 1.865 nan 8.310 nan 0.000 0.564 163 W N 0.726 122.070 121.300 0.074 0.000 3.363 163 W HA 0.390 5.050 4.660 -0.000 0.000 0.306 163 W C -3.398 173.164 176.519 0.072 0.000 1.253 163 W CA -2.044 55.352 57.345 0.084 0.000 1.195 163 W CB 1.623 31.139 29.460 0.094 0.000 1.366 163 W HN 0.513 nan 8.180 nan 0.000 0.551 164 P HA -0.044 nan 4.420 nan 0.000 0.264 164 P C -0.677 176.614 177.300 -0.014 0.000 1.193 164 P CA 0.641 63.619 63.100 -0.203 0.000 0.763 164 P CB 0.571 32.059 31.700 -0.354 0.000 0.810 165 Q N 3.018 122.841 119.800 0.038 0.000 2.261 165 Q HA 0.402 4.742 4.340 -0.000 0.000 0.252 165 Q C -0.977 175.048 176.000 0.041 0.000 0.915 165 Q CA -0.358 55.489 55.803 0.074 0.000 0.915 165 Q CB 0.492 29.276 28.738 0.077 0.000 1.204 165 Q HN 0.321 nan 8.270 nan 0.000 0.421 166 M N 5.364 124.996 119.600 0.052 0.000 2.197 166 M HA 0.419 4.899 4.480 -0.000 0.000 0.301 166 M C -2.331 173.988 176.300 0.031 0.000 0.987 166 M CA -2.419 52.900 55.300 0.031 0.000 0.921 166 M CB 1.058 33.677 32.600 0.033 0.000 1.569 166 M HN 0.547 nan 8.290 nan 0.000 0.431 167 P HA 0.331 nan 4.420 nan 0.000 0.274 167 P C -0.660 176.645 177.300 0.008 0.000 1.237 167 P CA -0.457 62.653 63.100 0.017 0.000 0.793 167 P CB 0.632 32.340 31.700 0.012 0.000 0.977 168 A N 3.104 125.928 122.820 0.008 0.000 3.078 168 A HA 0.460 4.780 4.320 -0.000 0.000 0.279 168 A C 0.672 178.252 177.584 -0.006 0.000 1.594 168 A CA -0.647 51.392 52.037 0.002 0.000 1.301 168 A CB -1.429 17.575 19.000 0.008 0.000 1.162 168 A HN 0.548 nan 8.150 nan 0.000 0.585 169 I N -1.685 118.876 120.570 -0.016 0.000 2.648 169 I HA 0.644 4.814 4.170 -0.000 0.000 0.304 169 I C -2.531 173.570 176.117 -0.027 0.000 1.009 169 I CA -3.067 58.220 61.300 -0.022 0.000 1.114 169 I CB 1.938 39.918 38.000 -0.033 0.000 1.293 169 I HN 0.090 nan 8.210 nan 0.000 0.449 170 P HA 0.121 nan 4.420 nan 0.000 0.267 170 P C 0.680 177.969 177.300 -0.020 0.000 1.205 170 P CA 0.767 63.856 63.100 -0.018 0.000 0.765 170 P CB 0.815 32.513 31.700 -0.003 0.000 0.828 171 G N 3.123 111.892 108.800 -0.050 0.000 2.157 171 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.239 171 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.239 171 G C 0.649 175.459 174.900 -0.150 0.000 0.982 171 G CA 0.127 45.183 45.100 -0.074 0.000 0.650 171 G HN 0.528 nan 8.290 nan 0.000 0.527 172 I N 1.811 122.309 120.570 -0.120 0.000 2.454 172 I HA -0.061 4.109 4.170 -0.000 0.000 0.254 172 I C 2.525 178.566 176.117 -0.125 0.000 1.156 172 I CA 2.250 63.497 61.300 -0.089 0.000 1.433 172 I CB -0.086 37.883 38.000 -0.051 0.000 1.082 172 I HN 0.474 nan 8.210 nan 0.000 0.432 173 E N -0.487 119.572 120.200 -0.235 0.000 2.409 173 E HA -0.259 4.091 4.350 -0.000 0.000 0.198 173 E C 1.106 177.562 176.600 -0.240 0.000 1.024 173 E CA 1.451 57.711 56.400 -0.232 0.000 0.861 173 E CB -0.972 28.576 29.700 -0.254 0.000 0.788 173 E HN 0.706 nan 8.360 nan 0.000 0.521 174 H N -0.704 118.362 119.070 -0.007 0.000 2.539 174 H HA 0.237 4.793 4.556 -0.000 0.000 0.269 174 H C 0.248 175.560 175.328 -0.027 0.000 0.980 174 H CA -0.477 55.563 56.048 -0.014 0.000 1.152 174 H CB 0.336 30.087 29.762 -0.018 0.000 1.407 174 H HN 0.105 nan 8.280 nan 0.000 0.564 175 C N 1.332 120.652 119.300 0.034 0.000 2.349 175 C HA 0.532 4.992 4.460 -0.000 0.000 0.361 175 C C 0.803 175.783 174.990 -0.017 0.000 1.189 175 C CA -0.865 58.151 59.018 -0.003 0.000 2.155 175 C CB 0.756 28.481 27.740 -0.025 0.000 2.336 175 C HN 0.461 nan 8.230 nan 0.000 0.540 176 I N 0.027 120.571 120.570 -0.043 0.000 3.170 176 I HA 0.854 5.024 4.170 -0.000 0.000 0.312 176 I C 0.029 176.083 176.117 -0.106 0.000 1.085 176 I CA -0.213 61.050 61.300 -0.062 0.000 0.999 176 I CB 1.867 39.832 38.000 -0.058 0.000 1.233 176 I HN 0.676 nan 8.210 nan 0.000 0.467 177 S N 0.271 115.876 115.700 -0.159 0.000 2.801 177 S HA 0.374 4.844 4.470 -0.000 0.000 0.312 177 S C 0.978 175.399 174.600 -0.298 0.000 1.112 177 S CA 0.070 58.140 58.200 -0.216 0.000 0.943 177 S CB 1.060 64.101 63.200 -0.265 0.000 1.269 177 S HN 0.899 nan 8.310 nan 0.000 0.558 178 S N 1.127 116.625 115.700 -0.336 0.000 2.419 178 S HA -0.147 4.323 4.470 -0.000 0.000 0.233 178 S C 1.430 175.890 174.600 -0.233 0.000 1.016 178 S CA 1.139 59.058 58.200 -0.469 0.000 0.974 178 S CB -1.039 62.020 63.200 -0.236 0.000 0.786 178 S HN 0.676 nan 8.310 nan 0.000 0.492 179 N N 2.247 120.800 118.700 -0.245 0.000 2.069 179 N HA -0.094 4.646 4.740 -0.000 0.000 0.191 179 N C 1.644 177.058 175.510 -0.160 0.000 1.031 179 N CA 1.869 54.707 53.050 -0.353 0.000 0.852 179 N CB -0.529 37.297 38.487 -1.102 0.000 1.018 179 N HN 0.567 nan 8.380 nan 0.000 0.423 180 E N 0.489 120.584 120.200 -0.176 0.000 2.216 180 E HA 0.143 4.492 4.350 -0.000 0.000 0.192 180 E C 1.884 178.587 176.600 0.172 0.000 0.988 180 E CA 0.682 57.141 56.400 0.098 0.000 0.834 180 E CB -0.285 29.445 29.700 0.050 0.000 0.772 180 E HN 0.338 nan 8.360 nan 0.000 0.479 181 A N 0.392 123.189 122.820 -0.038 0.000 1.940 181 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 181 A C 1.667 179.301 177.584 0.083 0.000 1.176 181 A CA 1.197 53.201 52.037 -0.056 0.000 0.631 181 A CB -0.842 17.782 19.000 -0.626 0.000 0.814 181 A HN 0.260 nan 8.150 nan 0.000 0.446 182 F N -2.151 117.869 119.950 0.117 0.000 2.546 182 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 182 F C 1.116 176.627 175.800 -0.482 0.000 1.120 182 F CA 0.938 58.844 58.000 -0.157 0.000 1.456 182 F CB -0.330 38.479 39.000 -0.317 0.000 1.088 182 F HN 0.341 nan 8.300 nan 0.000 0.572 183 Y N -1.061 119.470 120.300 0.385 0.000 2.641 183 Y HA 0.323 4.873 4.550 -0.000 0.000 0.248 183 Y C 0.462 176.566 175.900 0.340 0.000 1.170 183 Y CA -0.902 57.392 58.100 0.324 0.000 1.201 183 Y CB -0.258 38.391 38.460 0.314 0.000 1.232 183 Y HN -0.255 nan 8.280 nan 0.000 0.537 184 L N 3.840 125.368 121.223 0.509 0.000 2.559 184 L HA -0.025 4.315 4.340 -0.000 0.000 0.282 184 L C -1.091 176.094 176.870 0.523 0.000 1.232 184 L CA -0.906 54.197 54.840 0.439 0.000 0.885 184 L CB 0.575 42.836 42.059 0.337 0.000 1.131 184 L HN 0.017 nan 8.230 nan 0.000 0.498 185 P HA -0.053 nan 4.420 nan 0.000 0.221 185 P C -0.016 177.485 177.300 0.335 0.000 1.150 185 P CA 1.239 64.523 63.100 0.306 0.000 0.800 185 P CB 0.426 32.237 31.700 0.185 0.000 0.787 186 E N -0.350 119.958 120.200 0.179 0.000 2.343 186 E HA 0.380 4.730 4.350 -0.000 0.000 0.270 186 E C -2.720 173.620 176.600 -0.433 0.000 0.895 186 E CA -2.554 53.852 56.400 0.009 0.000 0.767 186 E CB 1.942 31.639 29.700 -0.005 0.000 1.248 186 E HN 0.040 nan 8.360 nan 0.000 0.440 187 P HA 0.257 nan 4.420 nan 0.000 0.280 187 P C -2.492 174.534 177.300 -0.457 0.000 1.244 187 P CA -1.512 61.032 63.100 -0.927 0.000 0.784 187 P CB 0.099 31.414 31.700 -0.642 0.000 0.913 188 P HA 0.213 nan 4.420 nan 0.000 0.271 188 P C 0.844 177.996 177.300 -0.247 0.000 1.216 188 P CA -0.181 62.702 63.100 -0.362 0.000 0.776 188 P CB 1.307 32.700 31.700 -0.510 0.000 0.881 189 R N 2.446 122.848 120.500 -0.163 0.000 2.062 189 R HA -0.002 4.338 4.340 -0.000 0.000 0.229 189 R C 0.482 176.721 176.300 -0.102 0.000 1.128 189 R CA 1.045 57.083 56.100 -0.104 0.000 0.960 189 R CB 0.227 30.484 30.300 -0.071 0.000 0.855 189 R HN 0.477 nan 8.270 nan 0.000 0.432 190 R N 0.051 120.480 120.500 -0.119 0.000 2.480 190 R HA 0.386 4.726 4.340 -0.000 0.000 0.306 190 R C -1.630 174.573 176.300 -0.161 0.000 0.958 190 R CA -0.472 55.565 56.100 -0.105 0.000 0.861 190 R CB 2.717 32.977 30.300 -0.066 0.000 1.171 190 R HN -0.036 nan 8.270 nan 0.000 0.445 191 V N 4.853 124.664 119.914 -0.172 0.000 2.709 191 V HA 0.467 4.587 4.120 -0.000 0.000 0.308 191 V C -1.603 174.424 176.094 -0.112 0.000 1.062 191 V CA -1.020 61.137 62.300 -0.239 0.000 0.901 191 V CB 2.040 33.549 31.823 -0.524 0.000 1.003 191 V HN 0.597 nan 8.190 nan 0.000 0.425 192 L N 6.743 127.917 121.223 -0.082 0.000 2.265 192 L HA 0.696 5.036 4.340 -0.000 0.000 0.289 192 L C 0.364 177.242 176.870 0.013 0.000 1.033 192 L CA 0.364 55.204 54.840 0.000 0.000 0.814 192 L CB 1.568 43.642 42.059 0.025 0.000 1.203 192 L HN 0.904 nan 8.230 nan 0.000 0.423 193 T N 2.380 116.975 114.554 0.068 0.000 2.771 193 T HA 0.591 4.941 4.350 -0.000 0.000 0.291 193 T C -0.224 174.534 174.700 0.097 0.000 0.954 193 T CA -0.697 61.460 62.100 0.095 0.000 1.045 193 T CB 0.989 69.954 68.868 0.161 0.000 0.917 193 T HN 0.296 nan 8.240 nan 0.000 0.484 194 V N 3.620 123.583 119.914 0.081 0.000 2.328 194 V HA 0.816 4.936 4.120 -0.000 0.000 0.278 194 V C 0.788 176.950 176.094 0.114 0.000 1.021 194 V CA 0.210 62.569 62.300 0.099 0.000 0.838 194 V CB 0.294 32.156 31.823 0.064 0.000 0.999 194 V HN 1.505 nan 8.190 nan 0.000 0.447 195 G N 3.464 112.360 108.800 0.161 0.000 2.402 195 G HA2 0.346 4.306 3.960 -0.000 0.000 0.666 195 G HA3 0.346 4.306 3.960 -0.000 0.000 0.666 195 G C 0.038 175.025 174.900 0.146 0.000 1.402 195 G CA -0.335 44.877 45.100 0.186 0.000 0.920 195 G HN 1.043 nan 8.290 nan 0.000 0.651 196 G N -0.437 108.406 108.800 0.072 0.000 3.690 196 G HA2 0.666 4.626 3.960 -0.000 0.000 0.283 196 G HA3 0.666 4.626 3.960 -0.000 0.000 0.283 196 G C 0.706 175.464 174.900 -0.237 0.000 1.057 196 G CA 1.062 46.004 45.100 -0.263 0.000 0.821 196 G HN 1.331 nan 8.290 nan 0.000 0.526 197 G N -0.530 108.240 108.800 -0.050 0.000 2.828 197 G HA2 0.477 4.437 3.960 -0.000 0.000 0.244 197 G HA3 0.477 4.437 3.960 -0.000 0.000 0.244 197 G C 0.595 175.523 174.900 0.046 0.000 1.365 197 G CA -0.839 44.270 45.100 0.014 0.000 1.041 197 G HN -0.014 nan 8.290 nan 0.000 0.560 198 F N -0.421 119.558 119.950 0.049 0.000 2.065 198 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 198 F C 2.661 178.502 175.800 0.069 0.000 1.112 198 F CA 1.593 59.620 58.000 0.046 0.000 1.212 198 F CB -0.259 38.805 39.000 0.107 0.000 0.975 198 F HN 0.130 nan 8.300 nan 0.000 0.476 199 I N -1.349 119.430 120.570 0.348 0.000 2.252 199 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 199 I C 2.601 178.887 176.117 0.281 0.000 1.102 199 I CA 1.276 62.762 61.300 0.309 0.000 1.385 199 I CB -0.524 37.627 38.000 0.253 0.000 1.064 199 I HN 0.107 nan 8.210 nan 0.000 0.414 200 S N 0.306 116.118 115.700 0.187 0.000 2.368 200 S HA -0.121 4.349 4.470 -0.000 0.000 0.224 200 S C 2.065 176.742 174.600 0.128 0.000 1.029 200 S CA 1.227 59.518 58.200 0.153 0.000 0.988 200 S CB -0.120 63.144 63.200 0.107 0.000 0.838 200 S HN 0.216 nan 8.310 nan 0.000 0.462 201 V N 1.641 121.592 119.914 0.063 0.000 2.323 201 V HA -0.094 4.026 4.120 -0.000 0.000 0.244 201 V C 2.408 178.511 176.094 0.016 0.000 1.041 201 V CA 1.868 64.167 62.300 -0.002 0.000 1.025 201 V CB -0.690 31.067 31.823 -0.110 0.000 0.656 201 V HN 0.507 nan 8.190 nan 0.000 0.451 202 E N -0.474 119.750 120.200 0.039 0.000 2.051 202 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 202 E C 2.083 178.607 176.600 -0.127 0.000 0.991 202 E CA 1.577 57.962 56.400 -0.026 0.000 0.799 202 E CB -0.210 29.491 29.700 0.002 0.000 0.748 202 E HN 0.576 nan 8.360 nan 0.000 0.449 203 F N 0.690 120.587 119.950 -0.088 0.000 2.259 203 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 203 F C 2.340 178.046 175.800 -0.156 0.000 1.088 203 F CA 0.811 58.660 58.000 -0.251 0.000 1.358 203 F CB -0.307 38.529 39.000 -0.274 0.000 1.040 203 F HN -0.006 nan 8.300 nan 0.000 0.505 204 A N 0.259 123.193 122.820 0.189 0.000 1.917 204 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 204 A C 2.560 180.217 177.584 0.121 0.000 1.182 204 A CA 2.011 54.166 52.037 0.196 0.000 0.633 204 A CB -1.615 17.462 19.000 0.128 0.000 0.819 204 A HN 0.406 nan 8.150 nan 0.000 0.448 205 G N -0.361 108.462 108.800 0.037 0.000 2.422 205 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.218 205 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.218 205 G C 1.507 176.428 174.900 0.035 0.000 1.140 205 G CA 1.031 46.144 45.100 0.021 0.000 0.775 205 G HN 0.498 nan 8.290 nan 0.000 0.545 206 I N -0.199 120.342 120.570 -0.048 0.000 2.202 206 I HA -0.094 4.076 4.170 -0.000 0.000 0.242 206 I C 2.339 178.564 176.117 0.179 0.000 1.091 206 I CA 0.839 62.134 61.300 -0.008 0.000 1.368 206 I CB -0.246 37.587 38.000 -0.279 0.000 1.058 206 I HN 0.029 nan 8.210 nan 0.000 0.410 207 F N 0.962 121.029 119.950 0.196 0.000 2.234 207 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 207 F C 2.318 178.179 175.800 0.102 0.000 1.087 207 F CA 1.217 59.287 58.000 0.118 0.000 1.340 207 F CB -1.218 37.806 39.000 0.040 0.000 1.031 207 F HN 0.136 nan 8.300 nan 0.000 0.500 208 N N 0.565 119.423 118.700 0.263 0.000 2.149 208 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 208 N C 1.763 177.344 175.510 0.117 0.000 1.019 208 N CA 1.517 54.656 53.050 0.148 0.000 0.857 208 N CB -0.244 38.296 38.487 0.088 0.000 0.997 208 N HN 0.183 nan 8.380 nan 0.000 0.426 209 A N -1.674 121.230 122.820 0.141 0.000 2.021 209 A HA 0.052 4.371 4.320 -0.000 0.000 0.216 209 A C 1.169 178.709 177.584 -0.074 0.000 1.163 209 A CA 0.686 52.729 52.037 0.009 0.000 0.676 209 A CB -0.419 18.561 19.000 -0.035 0.000 0.818 209 A HN 0.469 nan 8.150 nan 0.000 0.453 210 Y N 0.574 120.973 120.300 0.164 0.000 2.467 210 Y HA 0.148 4.698 4.550 -0.000 0.000 0.250 210 Y C 0.834 176.796 175.900 0.104 0.000 1.155 210 Y CA -0.299 57.920 58.100 0.197 0.000 1.249 210 Y CB 0.299 39.000 38.460 0.402 0.000 1.146 210 Y HN 0.276 nan 8.280 nan 0.000 0.524 211 K N 2.307 122.807 120.400 0.167 0.000 2.485 211 K HA 0.110 4.430 4.320 -0.000 0.000 0.277 211 K C -2.670 173.958 176.600 0.046 0.000 0.990 211 K CA -1.361 54.965 56.287 0.065 0.000 0.994 211 K CB 0.075 32.602 32.500 0.044 0.000 0.906 211 K HN -0.044 nan 8.250 nan 0.000 0.488 212 P HA 0.168 nan 4.420 nan 0.000 0.273 212 P C -2.545 174.764 177.300 0.014 0.000 1.250 212 P CA -1.551 61.562 63.100 0.022 0.000 0.793 212 P CB -0.659 31.046 31.700 0.007 0.000 1.011 213 P HA 0.057 nan 4.420 nan 0.000 0.262 213 P C 1.013 178.316 177.300 0.005 0.000 1.182 213 P CA 1.430 64.538 63.100 0.013 0.000 0.761 213 P CB -0.340 31.369 31.700 0.016 0.000 0.795 214 G N 1.903 110.704 108.800 0.002 0.000 2.179 214 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.260 214 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.260 214 G C 0.634 175.529 174.900 -0.008 0.000 0.977 214 G CA -0.134 44.964 45.100 -0.003 0.000 0.641 214 G HN 0.893 nan 8.290 nan 0.000 0.533 215 G N -0.679 108.115 108.800 -0.009 0.000 2.616 215 G HA2 0.604 4.564 3.960 -0.000 0.000 0.268 215 G HA3 0.604 4.564 3.960 -0.000 0.000 0.268 215 G C -0.265 174.626 174.900 -0.014 0.000 1.213 215 G CA 0.371 45.460 45.100 -0.018 0.000 0.926 215 G HN 0.794 nan 8.290 nan 0.000 0.523 216 K N -0.603 119.784 120.400 -0.021 0.000 2.571 216 K HA 0.410 4.730 4.320 -0.000 0.000 0.252 216 K C -1.121 175.471 176.600 -0.014 0.000 0.956 216 K CA -0.512 55.767 56.287 -0.013 0.000 0.822 216 K CB 1.919 34.410 32.500 -0.015 0.000 1.286 216 K HN 0.318 nan 8.250 nan 0.000 0.439 217 V N 3.704 123.625 119.914 0.010 0.000 2.432 217 V HA 0.459 4.579 4.120 -0.000 0.000 0.275 217 V C -0.350 175.758 176.094 0.025 0.000 1.043 217 V CA -0.293 62.025 62.300 0.029 0.000 0.925 217 V CB 1.437 33.313 31.823 0.089 0.000 0.985 217 V HN 0.846 nan 8.190 nan 0.000 0.466 218 T N 6.544 121.114 114.554 0.027 0.000 2.812 218 T HA 0.577 4.927 4.350 -0.000 0.000 0.282 218 T C -0.574 174.161 174.700 0.058 0.000 0.990 218 T CA -0.307 61.813 62.100 0.032 0.000 0.960 218 T CB 1.461 70.348 68.868 0.033 0.000 0.948 218 T HN 0.532 nan 8.240 nan 0.000 0.438 219 L N 4.209 125.466 121.223 0.056 0.000 2.307 219 L HA 0.782 5.122 4.340 -0.000 0.000 0.284 219 L C -0.319 176.601 176.870 0.083 0.000 1.023 219 L CA -0.613 54.273 54.840 0.077 0.000 0.810 219 L CB 0.501 42.597 42.059 0.061 0.000 1.231 219 L HN 0.959 nan 8.230 nan 0.000 0.423 220 C N 2.779 122.154 119.300 0.125 0.000 2.456 220 C HA 0.715 5.175 4.460 -0.000 0.000 0.325 220 C C -0.781 174.333 174.990 0.207 0.000 1.217 220 C CA -1.009 58.090 59.018 0.136 0.000 1.687 220 C CB 0.792 28.644 27.740 0.186 0.000 2.270 220 C HN 0.822 nan 8.230 nan 0.000 0.499 221 Y N 2.438 122.753 120.300 0.026 0.000 2.492 221 Y HA 0.586 5.136 4.550 -0.000 0.000 0.346 221 Y C 1.171 177.087 175.900 0.025 0.000 0.997 221 Y CA -1.111 57.006 58.100 0.029 0.000 1.025 221 Y CB 1.565 40.033 38.460 0.013 0.000 1.263 221 Y HN 0.876 nan 8.280 nan 0.000 0.454 222 R N 1.594 121.668 120.500 -0.709 0.000 2.148 222 R HA 0.130 4.470 4.340 -0.000 0.000 0.223 222 R C -0.323 175.610 176.300 -0.611 0.000 1.088 222 R CA 1.282 57.084 56.100 -0.497 0.000 0.985 222 R CB -0.326 29.793 30.300 -0.302 0.000 0.880 222 R HN 0.610 nan 8.270 nan 0.000 0.451 223 N N -0.437 117.543 118.700 -1.199 0.000 2.992 223 N HA 0.127 4.867 4.740 -0.000 0.000 0.338 223 N C -0.105 175.299 175.510 -0.176 0.000 1.376 223 N CA -0.769 51.958 53.050 -0.539 0.000 0.778 223 N CB 0.277 38.601 38.487 -0.272 0.000 1.232 223 N HN -0.052 nan 8.380 nan 0.000 0.581 224 N N -0.103 118.627 118.700 0.050 0.000 2.416 224 N HA 0.017 4.757 4.740 -0.000 0.000 0.177 224 N C -0.830 174.781 175.510 0.167 0.000 1.036 224 N CA 0.668 53.770 53.050 0.087 0.000 0.901 224 N CB 0.322 38.836 38.487 0.045 0.000 0.976 224 N HN 0.240 nan 8.380 nan 0.000 0.444 225 L N 1.595 122.994 121.223 0.294 0.000 2.639 225 L HA 0.383 4.723 4.340 -0.000 0.000 0.264 225 L C -0.312 176.573 176.870 0.026 0.000 0.948 225 L CA -0.692 54.231 54.840 0.138 0.000 0.912 225 L CB 1.219 43.319 42.059 0.069 0.000 1.294 225 L HN 0.011 nan 8.230 nan 0.000 0.412 226 I N 2.049 122.513 120.570 -0.178 0.000 3.327 226 I HA 0.296 4.465 4.170 -0.000 0.000 0.280 226 I C 0.487 176.379 176.117 -0.376 0.000 1.207 226 I CA -0.600 60.363 61.300 -0.560 0.000 1.280 226 I CB 0.266 38.040 38.000 -0.376 0.000 1.417 226 I HN 0.790 nan 8.210 nan 0.000 0.639 227 L N 0.092 121.078 121.223 -0.396 0.000 3.717 227 L HA -0.181 4.159 4.340 -0.000 0.000 0.411 227 L C 0.777 177.676 176.870 0.047 0.000 1.233 227 L CA 0.367 55.093 54.840 -0.190 0.000 0.917 227 L CB -1.304 40.535 42.059 -0.367 0.000 1.902 227 L HN 0.810 nan 8.230 nan 0.000 0.894 228 R N 0.995 121.478 120.500 -0.028 0.000 2.583 228 R HA 0.242 4.582 4.340 -0.000 0.000 0.274 228 R C 1.392 177.731 176.300 0.064 0.000 0.998 228 R CA 1.448 57.572 56.100 0.040 0.000 1.081 228 R CB 0.339 30.684 30.300 0.075 0.000 0.940 228 R HN 0.470 nan 8.270 nan 0.000 0.413 229 G N 2.963 111.762 108.800 -0.000 0.000 2.213 229 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.236 229 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.236 229 G C -0.174 174.542 174.900 -0.307 0.000 0.991 229 G CA -0.044 44.977 45.100 -0.130 0.000 0.629 229 G HN 0.519 nan 8.290 nan 0.000 0.517 230 F N 1.187 121.062 119.950 -0.126 0.000 2.411 230 F HA 0.561 5.088 4.527 -0.000 0.000 0.324 230 F C 0.830 176.508 175.800 -0.205 0.000 1.086 230 F CA -0.264 57.635 58.000 -0.168 0.000 1.028 230 F CB 0.740 39.624 39.000 -0.193 0.000 1.284 230 F HN 0.068 nan 8.300 nan 0.000 0.501 231 D N 1.128 121.463 120.400 -0.109 0.000 2.586 231 D HA -0.091 4.549 4.640 -0.000 0.000 0.234 231 D C 1.090 177.355 176.300 -0.058 0.000 1.132 231 D CA 0.591 54.467 54.000 -0.208 0.000 0.860 231 D CB 0.619 41.266 40.800 -0.255 0.000 1.159 231 D HN 0.642 nan 8.370 nan 0.000 0.490 232 E N 1.787 121.964 120.200 -0.038 0.000 2.051 232 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 232 E C 1.421 178.019 176.600 -0.004 0.000 0.991 232 E CA 1.444 57.840 56.400 -0.007 0.000 0.799 232 E CB 0.146 29.855 29.700 0.015 0.000 0.748 232 E HN 0.672 nan 8.360 nan 0.000 0.449 233 T N 1.327 115.891 114.554 0.016 0.000 2.699 233 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 233 T C 1.911 176.596 174.700 -0.024 0.000 1.036 233 T CA 1.445 63.552 62.100 0.012 0.000 1.147 233 T CB -0.235 68.662 68.868 0.049 0.000 0.862 233 T HN 0.185 nan 8.240 nan 0.000 0.446 234 I N 0.538 121.087 120.570 -0.036 0.000 2.315 234 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 234 I C 2.750 178.806 176.117 -0.103 0.000 1.117 234 I CA 1.124 62.377 61.300 -0.078 0.000 1.404 234 I CB -0.222 37.735 38.000 -0.073 0.000 1.071 234 I HN 0.132 nan 8.210 nan 0.000 0.419 235 R N 0.576 121.027 120.500 -0.082 0.000 2.091 235 R HA -0.212 4.128 4.340 -0.000 0.000 0.238 235 R C 2.117 178.364 176.300 -0.088 0.000 1.136 235 R CA 1.663 57.702 56.100 -0.101 0.000 0.959 235 R CB -0.333 29.927 30.300 -0.067 0.000 0.856 235 R HN 0.448 nan 8.270 nan 0.000 0.437 236 E N -0.108 120.057 120.200 -0.058 0.000 2.072 236 E HA -0.185 4.165 4.350 -0.000 0.000 0.190 236 E C 1.894 178.462 176.600 -0.054 0.000 0.982 236 E CA 0.889 57.261 56.400 -0.047 0.000 0.803 236 E CB 0.082 29.766 29.700 -0.028 0.000 0.755 236 E HN 0.178 nan 8.360 nan 0.000 0.453 237 E N 0.757 120.920 120.200 -0.062 0.000 2.072 237 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 237 E C 1.952 178.503 176.600 -0.081 0.000 0.982 237 E CA 0.504 56.866 56.400 -0.065 0.000 0.803 237 E CB -0.207 29.449 29.700 -0.074 0.000 0.755 237 E HN 0.079 nan 8.360 nan 0.000 0.453 238 V N 0.064 119.910 119.914 -0.113 0.000 2.427 238 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 238 V C 1.895 177.928 176.094 -0.101 0.000 1.051 238 V CA 2.458 64.683 62.300 -0.126 0.000 1.048 238 V CB -0.660 31.052 31.823 -0.185 0.000 0.666 238 V HN 0.391 nan 8.190 nan 0.000 0.456 239 T N -0.244 114.252 114.554 -0.096 0.000 2.665 239 T HA -0.284 4.066 4.350 -0.000 0.000 0.268 239 T C 1.886 176.547 174.700 -0.064 0.000 1.035 239 T CA 2.268 64.322 62.100 -0.077 0.000 1.151 239 T CB -0.255 68.574 68.868 -0.064 0.000 0.862 239 T HN 0.484 nan 8.240 nan 0.000 0.438 240 K N 0.530 120.896 120.400 -0.056 0.000 2.026 240 K HA -0.071 4.249 4.320 -0.000 0.000 0.208 240 K C 2.594 179.160 176.600 -0.057 0.000 1.048 240 K CA 1.219 57.476 56.287 -0.049 0.000 0.929 240 K CB -0.024 32.458 32.500 -0.030 0.000 0.713 240 K HN 0.385 nan 8.250 nan 0.000 0.439 241 Q N 0.189 119.974 119.800 -0.026 0.000 2.119 241 Q HA -0.116 4.224 4.340 -0.000 0.000 0.201 241 Q C 2.181 178.152 176.000 -0.049 0.000 0.972 241 Q CA 1.158 56.977 55.803 0.027 0.000 0.847 241 Q CB -0.028 28.760 28.738 0.082 0.000 0.903 241 Q HN 0.306 nan 8.270 nan 0.000 0.433 242 L N 0.028 121.215 121.223 -0.061 0.000 2.012 242 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 242 L C 2.450 179.262 176.870 -0.097 0.000 1.073 242 L CA 1.339 56.138 54.840 -0.069 0.000 0.748 242 L CB -0.760 41.262 42.059 -0.061 0.000 0.891 242 L HN 0.206 nan 8.230 nan 0.000 0.431 243 T N -0.138 114.355 114.554 -0.101 0.000 2.788 243 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 243 T C 1.937 176.530 174.700 -0.177 0.000 1.044 243 T CA 1.335 63.368 62.100 -0.111 0.000 1.139 243 T CB -0.230 68.585 68.868 -0.090 0.000 0.867 243 T HN 0.458 nan 8.240 nan 0.000 0.454 244 A N 1.501 124.154 122.820 -0.278 0.000 2.067 244 A HA -0.003 4.317 4.320 -0.000 0.000 0.219 244 A C 1.968 179.230 177.584 -0.538 0.000 1.158 244 A CA 1.079 52.816 52.037 -0.500 0.000 0.661 244 A CB -0.408 18.056 19.000 -0.893 0.000 0.801 244 A HN 0.380 nan 8.150 nan 0.000 0.452 245 N N -0.762 117.722 118.700 -0.360 0.000 2.313 245 N HA 0.232 4.972 4.740 -0.000 0.000 0.207 245 N C 0.857 176.301 175.510 -0.110 0.000 1.141 245 N CA 0.852 53.781 53.050 -0.202 0.000 0.830 245 N CB 0.060 38.499 38.487 -0.081 0.000 1.008 245 N HN 0.514 nan 8.380 nan 0.000 0.481 246 G N -0.042 108.688 108.800 -0.116 0.000 2.159 246 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.227 246 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.227 246 G C -0.018 174.856 174.900 -0.044 0.000 0.986 246 G CA -0.102 44.956 45.100 -0.069 0.000 0.651 246 G HN 0.301 nan 8.290 nan 0.000 0.523 247 I N 1.291 121.835 120.570 -0.044 0.000 2.365 247 I HA 0.392 4.562 4.170 -0.000 0.000 0.291 247 I C 0.543 176.643 176.117 -0.028 0.000 1.004 247 I CA -0.604 60.684 61.300 -0.019 0.000 1.311 247 I CB 1.476 39.472 38.000 -0.007 0.000 1.401 247 I HN 0.293 nan 8.210 nan 0.000 0.491 248 E N 7.524 127.713 120.200 -0.018 0.000 2.200 248 E HA 0.306 4.656 4.350 -0.000 0.000 0.283 248 E C -1.099 175.490 176.600 -0.019 0.000 1.015 248 E CA -0.553 55.832 56.400 -0.026 0.000 0.819 248 E CB 0.833 30.517 29.700 -0.027 0.000 1.081 248 E HN 0.350 nan 8.360 nan 0.000 0.397 249 I N 5.774 126.329 120.570 -0.025 0.000 2.328 249 I HA 0.208 4.378 4.170 -0.000 0.000 0.287 249 I C -0.107 175.998 176.117 -0.020 0.000 1.012 249 I CA -0.454 60.838 61.300 -0.012 0.000 1.195 249 I CB 0.789 38.780 38.000 -0.016 0.000 1.350 249 I HN 0.803 nan 8.210 nan 0.000 0.464 250 M N 7.275 126.864 119.600 -0.019 0.000 2.111 250 M HA 0.223 4.703 4.480 -0.000 0.000 0.351 250 M C 0.077 176.356 176.300 -0.036 0.000 1.214 250 M CA -0.262 54.997 55.300 -0.068 0.000 1.120 250 M CB 0.442 32.967 32.600 -0.126 0.000 1.443 250 M HN 0.705 nan 8.290 nan 0.000 0.429 251 T N 0.407 114.944 114.554 -0.029 0.000 2.927 251 T HA 0.401 4.751 4.350 -0.000 0.000 0.281 251 T C 0.585 175.246 174.700 -0.065 0.000 0.998 251 T CA -0.774 61.329 62.100 0.005 0.000 1.019 251 T CB 0.863 69.756 68.868 0.042 0.000 1.061 251 T HN 0.745 nan 8.240 nan 0.000 0.518 252 N N 0.942 119.585 118.700 -0.095 0.000 2.721 252 N HA -0.142 4.598 4.740 -0.000 0.000 0.249 252 N C -0.770 174.673 175.510 -0.113 0.000 1.072 252 N CA 0.935 53.914 53.050 -0.120 0.000 0.710 252 N CB -0.800 37.637 38.487 -0.084 0.000 0.993 252 N HN 0.759 nan 8.380 nan 0.000 0.547 253 E N 0.309 120.445 120.200 -0.107 0.000 2.314 253 E HA 0.496 4.846 4.350 -0.000 0.000 0.272 253 E C -0.712 175.948 176.600 0.100 0.000 0.884 253 E CA -0.633 55.733 56.400 -0.057 0.000 0.753 253 E CB 2.253 31.772 29.700 -0.301 0.000 1.213 253 E HN 0.172 nan 8.360 nan 0.000 0.432 254 N N 1.689 120.548 118.700 0.265 0.000 2.369 254 N HA 0.373 5.113 4.740 -0.000 0.000 0.287 254 N C -3.044 172.585 175.510 0.199 0.000 1.067 254 N CA -1.747 51.434 53.050 0.218 0.000 0.888 254 N CB 2.213 40.742 38.487 0.069 0.000 1.616 254 N HN 0.006 nan 8.380 nan 0.000 0.482 255 P HA 0.188 nan 4.420 nan 0.000 0.268 255 P C -0.529 176.697 177.300 -0.123 0.000 1.204 255 P CA 0.044 62.990 63.100 -0.257 0.000 0.768 255 P CB 1.020 32.554 31.700 -0.276 0.000 0.842 256 A N 3.505 126.243 122.820 -0.137 0.000 2.167 256 A HA 0.186 4.506 4.320 -0.000 0.000 0.208 256 A C 0.607 178.147 177.584 -0.074 0.000 1.198 256 A CA 0.900 52.896 52.037 -0.068 0.000 0.863 256 A CB -0.061 18.918 19.000 -0.035 0.000 0.904 256 A HN 0.492 nan 8.150 nan 0.000 0.484 257 K N -0.697 119.634 120.400 -0.114 0.000 2.569 257 K HA 0.517 4.837 4.320 -0.000 0.000 0.259 257 K C -2.310 174.230 176.600 -0.099 0.000 0.932 257 K CA -0.385 55.857 56.287 -0.074 0.000 0.833 257 K CB 2.059 34.534 32.500 -0.043 0.000 1.340 257 K HN -0.065 nan 8.250 nan 0.000 0.429 258 V N 2.423 122.317 119.914 -0.032 0.000 2.531 258 V HA 0.447 4.567 4.120 -0.000 0.000 0.301 258 V C -0.717 175.446 176.094 0.114 0.000 1.034 258 V CA -0.689 61.611 62.300 -0.001 0.000 0.865 258 V CB 1.881 33.712 31.823 0.012 0.000 0.995 258 V HN 0.794 nan 8.190 nan 0.000 0.424 259 S N 4.571 120.321 115.700 0.083 0.000 2.501 259 S HA 0.620 5.090 4.470 -0.000 0.000 0.301 259 S C -0.573 173.976 174.600 -0.084 0.000 1.096 259 S CA -0.516 57.717 58.200 0.055 0.000 1.063 259 S CB 1.610 64.861 63.200 0.086 0.000 1.042 259 S HN 0.619 nan 8.310 nan 0.000 0.494 260 L N 3.737 124.786 121.223 -0.290 0.000 2.265 260 L HA 0.357 4.697 4.340 -0.000 0.000 0.288 260 L C -0.472 176.288 176.870 -0.183 0.000 1.058 260 L CA -0.587 54.021 54.840 -0.387 0.000 0.809 260 L CB 0.502 42.196 42.059 -0.609 0.000 1.179 260 L HN 0.596 nan 8.230 nan 0.000 0.429 261 N N 1.859 120.484 118.700 -0.125 0.000 2.503 261 N HA 0.011 4.751 4.740 -0.000 0.000 0.267 261 N C 1.163 176.622 175.510 -0.085 0.000 1.214 261 N CA 0.169 53.163 53.050 -0.092 0.000 0.959 261 N CB 1.558 40.005 38.487 -0.066 0.000 1.142 261 N HN 0.625 nan 8.380 nan 0.000 0.455 262 T N -0.760 113.752 114.554 -0.069 0.000 2.737 262 T HA -0.218 4.132 4.350 -0.000 0.000 0.269 262 T C 0.936 175.609 174.700 -0.045 0.000 1.040 262 T CA 1.712 63.779 62.100 -0.053 0.000 1.142 262 T CB -0.261 68.582 68.868 -0.042 0.000 0.861 262 T HN 0.636 nan 8.240 nan 0.000 0.456 263 D N 0.107 120.481 120.400 -0.043 0.000 2.352 263 D HA 0.226 4.866 4.640 -0.000 0.000 0.232 263 D C 1.618 177.896 176.300 -0.038 0.000 1.055 263 D CA 0.919 54.898 54.000 -0.035 0.000 0.891 263 D CB -0.793 39.988 40.800 -0.031 0.000 0.897 263 D HN 0.704 nan 8.370 nan 0.000 0.529 264 G N -0.171 108.599 108.800 -0.050 0.000 2.232 264 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.226 264 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.226 264 G C 0.482 175.347 174.900 -0.058 0.000 0.996 264 G CA 0.319 45.388 45.100 -0.051 0.000 0.626 264 G HN 0.857 nan 8.290 nan 0.000 0.509 265 S N -0.088 115.580 115.700 -0.053 0.000 2.608 265 S HA 0.691 5.161 4.470 -0.000 0.000 0.261 265 S C -0.067 174.500 174.600 -0.055 0.000 1.314 265 S CA 0.329 58.499 58.200 -0.050 0.000 0.992 265 S CB 1.691 64.870 63.200 -0.035 0.000 0.935 265 S HN 0.398 nan 8.310 nan 0.000 0.564 266 K N 0.549 120.925 120.400 -0.040 0.000 2.207 266 K HA 0.423 4.743 4.320 -0.000 0.000 0.255 266 K C -1.160 175.452 176.600 0.020 0.000 0.941 266 K CA -0.470 55.798 56.287 -0.031 0.000 0.825 266 K CB 1.231 33.709 32.500 -0.037 0.000 1.119 266 K HN 0.764 nan 8.250 nan 0.000 0.430 267 H N 1.462 120.487 119.070 -0.076 0.000 2.581 267 H HA 0.435 4.991 4.556 -0.000 0.000 0.308 267 H C -1.171 174.105 175.328 -0.087 0.000 1.040 267 H CA -0.647 55.363 56.048 -0.064 0.000 1.231 267 H CB 0.509 30.240 29.762 -0.053 0.000 1.396 267 H HN 0.237 nan 8.280 nan 0.000 0.467 268 V N 5.570 125.253 119.914 -0.385 0.000 2.439 268 V HA 0.308 4.428 4.120 -0.000 0.000 0.282 268 V C 0.139 175.884 176.094 -0.581 0.000 1.039 268 V CA -0.498 61.526 62.300 -0.459 0.000 0.913 268 V CB 1.569 33.084 31.823 -0.513 0.000 0.983 268 V HN 0.883 nan 8.190 nan 0.000 0.460 269 T N 5.466 119.739 114.554 -0.468 0.000 2.779 269 T HA 0.634 4.984 4.350 -0.000 0.000 0.280 269 T C -0.509 173.969 174.700 -0.370 0.000 0.987 269 T CA -0.148 61.771 62.100 -0.303 0.000 0.966 269 T CB 0.734 69.528 68.868 -0.124 0.000 0.933 269 T HN 0.261 nan 8.240 nan 0.000 0.442 270 F N 1.077 120.986 119.950 -0.068 0.000 2.378 270 F HA 0.318 4.845 4.527 -0.000 0.000 0.325 270 F C 1.933 177.711 175.800 -0.037 0.000 1.097 270 F CA -0.837 57.133 58.000 -0.049 0.000 1.079 270 F CB 0.728 39.699 39.000 -0.049 0.000 1.240 270 F HN 0.648 nan 8.300 nan 0.000 0.519 271 E N 0.153 120.441 120.200 0.147 0.000 2.219 271 E HA -0.216 4.134 4.350 -0.000 0.000 0.198 271 E C 2.003 178.646 176.600 0.071 0.000 0.998 271 E CA 1.638 58.082 56.400 0.073 0.000 0.818 271 E CB -0.166 29.564 29.700 0.050 0.000 0.741 271 E HN 0.631 nan 8.360 nan 0.000 0.477 272 S N -0.729 115.030 115.700 0.097 0.000 2.515 272 S HA 0.036 4.506 4.470 -0.000 0.000 0.231 272 S C 1.744 176.379 174.600 0.058 0.000 0.987 272 S CA 0.613 58.846 58.200 0.054 0.000 0.936 272 S CB 0.137 63.348 63.200 0.018 0.000 0.766 272 S HN 0.427 nan 8.310 nan 0.000 0.528 273 G N 0.830 109.684 108.800 0.089 0.000 2.176 273 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.253 273 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.253 273 G C 0.127 175.083 174.900 0.095 0.000 0.979 273 G CA 0.285 45.429 45.100 0.075 0.000 0.641 273 G HN 0.565 nan 8.290 nan 0.000 0.530 274 K N 1.325 121.802 120.400 0.128 0.000 2.336 274 K HA 0.434 4.754 4.320 -0.000 0.000 0.262 274 K C 0.773 177.539 176.600 0.277 0.000 0.992 274 K CA 1.162 57.531 56.287 0.137 0.000 0.927 274 K CB 0.387 32.888 32.500 0.003 0.000 0.956 274 K HN 0.526 nan 8.250 nan 0.000 0.495 275 T N -0.631 114.030 114.554 0.178 0.000 2.906 275 T HA 0.678 5.028 4.350 -0.000 0.000 0.295 275 T C -1.063 173.704 174.700 0.113 0.000 1.075 275 T CA -1.030 61.103 62.100 0.056 0.000 1.005 275 T CB 1.484 70.269 68.868 -0.137 0.000 1.136 275 T HN 0.361 nan 8.240 nan 0.000 0.498 276 L N 0.795 122.038 121.223 0.033 0.000 2.505 276 L HA 0.610 4.950 4.340 -0.000 0.000 0.259 276 L C -1.961 174.910 176.870 0.003 0.000 0.952 276 L CA -0.382 54.507 54.840 0.082 0.000 0.840 276 L CB 2.393 44.587 42.059 0.225 0.000 1.358 276 L HN 0.791 nan 8.230 nan 0.000 0.409 277 D N 3.561 123.987 120.400 0.044 0.000 2.217 277 D HA 0.695 5.335 4.640 -0.000 0.000 0.243 277 D C -0.679 175.627 176.300 0.010 0.000 1.054 277 D CA 0.146 54.175 54.000 0.048 0.000 0.838 277 D CB 2.267 43.116 40.800 0.082 0.000 1.162 277 D HN 0.477 nan 8.370 nan 0.000 0.472 278 V N -0.894 119.011 119.914 -0.016 0.000 3.206 278 V HA 0.434 4.554 4.120 -0.000 0.000 0.305 278 V C 0.092 176.148 176.094 -0.064 0.000 1.257 278 V CA -0.768 61.506 62.300 -0.044 0.000 1.057 278 V CB 2.516 34.306 31.823 -0.054 0.000 1.075 278 V HN 0.287 nan 8.190 nan 0.000 0.443 279 D N 0.084 120.426 120.400 -0.096 0.000 2.277 279 D HA 0.200 4.840 4.640 -0.000 0.000 0.209 279 D C 0.238 176.466 176.300 -0.121 0.000 0.970 279 D CA 1.307 55.244 54.000 -0.104 0.000 0.874 279 D CB 1.349 42.075 40.800 -0.124 0.000 0.982 279 D HN 0.370 nan 8.370 nan 0.000 0.504 280 V N 1.335 121.151 119.914 -0.163 0.000 2.760 280 V HA 0.252 4.372 4.120 -0.000 0.000 0.309 280 V C -0.397 175.605 176.094 -0.154 0.000 1.077 280 V CA -0.790 61.404 62.300 -0.177 0.000 0.910 280 V CB 3.018 34.668 31.823 -0.288 0.000 1.008 280 V HN -0.258 nan 8.190 nan 0.000 0.424 281 V N 5.487 125.338 119.914 -0.105 0.000 2.313 281 V HA 0.433 4.553 4.120 -0.000 0.000 0.278 281 V C -0.027 176.022 176.094 -0.076 0.000 1.017 281 V CA -0.232 62.020 62.300 -0.080 0.000 0.823 281 V CB 1.385 33.172 31.823 -0.061 0.000 1.010 281 V HN 0.884 nan 8.190 nan 0.000 0.443 282 M N 6.188 125.744 119.600 -0.073 0.000 2.055 282 M HA 0.472 4.952 4.480 -0.000 0.000 0.347 282 M C -0.573 175.699 176.300 -0.046 0.000 1.123 282 M CA -0.499 54.757 55.300 -0.074 0.000 1.035 282 M CB 0.875 33.437 32.600 -0.064 0.000 1.484 282 M HN 0.442 nan 8.290 nan 0.000 0.428 283 M N 4.110 123.678 119.600 -0.054 0.000 2.194 283 M HA 0.223 4.703 4.480 -0.000 0.000 0.347 283 M C -0.043 176.241 176.300 -0.027 0.000 1.439 283 M CA 0.177 55.461 55.300 -0.027 0.000 1.131 283 M CB 0.285 32.867 32.600 -0.030 0.000 1.733 283 M HN 0.747 nan 8.290 nan 0.000 0.467 284 A N 5.677 128.507 122.820 0.017 0.000 3.204 284 A HA 0.505 4.825 4.320 -0.000 0.000 0.327 284 A C 0.475 178.106 177.584 0.078 0.000 0.998 284 A CA -0.518 51.542 52.037 0.039 0.000 0.891 284 A CB -0.473 18.565 19.000 0.062 0.000 1.061 284 A HN 0.921 nan 8.150 nan 0.000 0.478 285 I N -2.510 118.101 120.570 0.067 0.000 3.877 285 I HA 0.657 4.827 4.170 -0.000 0.000 0.332 285 I C 0.466 176.638 176.117 0.092 0.000 1.525 285 I CA 0.070 61.425 61.300 0.091 0.000 1.146 285 I CB 0.397 38.444 38.000 0.078 0.000 1.137 285 I HN 0.535 nan 8.210 nan 0.000 0.424 286 G N 1.174 110.027 108.800 0.089 0.000 2.334 286 G HA2 0.133 4.093 3.960 -0.000 0.000 0.566 286 G HA3 0.133 4.093 3.960 -0.000 0.000 0.566 286 G C -1.394 173.550 174.900 0.073 0.000 1.413 286 G CA -1.198 43.957 45.100 0.091 0.000 0.993 286 G HN 0.288 nan 8.290 nan 0.000 0.642 287 R N -0.585 119.962 120.500 0.079 0.000 2.686 287 R HA 0.745 5.085 4.340 -0.000 0.000 0.286 287 R C 0.226 176.590 176.300 0.106 0.000 0.969 287 R CA -0.858 55.294 56.100 0.086 0.000 0.898 287 R CB 1.930 32.276 30.300 0.077 0.000 1.183 287 R HN 0.782 nan 8.270 nan 0.000 0.456 288 I N -1.130 119.525 120.570 0.141 0.000 2.797 288 I HA 0.644 4.814 4.170 -0.000 0.000 0.307 288 I C -2.578 173.628 176.117 0.148 0.000 1.033 288 I CA -3.262 58.116 61.300 0.131 0.000 1.071 288 I CB 1.984 40.059 38.000 0.125 0.000 1.255 288 I HN 0.275 nan 8.210 nan 0.000 0.445 289 P HA 0.184 nan 4.420 nan 0.000 0.268 289 P C -1.122 176.238 177.300 0.102 0.000 1.205 289 P CA -0.160 63.001 63.100 0.101 0.000 0.771 289 P CB 0.401 32.143 31.700 0.071 0.000 0.858 290 R N 1.651 122.210 120.500 0.098 0.000 2.391 290 R HA 0.183 4.523 4.340 -0.000 0.000 0.310 290 R C 1.000 177.321 176.300 0.036 0.000 1.174 290 R CA 0.081 56.215 56.100 0.057 0.000 1.118 290 R CB -0.124 30.200 30.300 0.039 0.000 1.134 290 R HN 0.562 nan 8.270 nan 0.000 0.524 291 T N -2.546 112.025 114.554 0.028 0.000 3.000 291 T HA -0.041 4.309 4.350 -0.000 0.000 0.248 291 T C 1.480 176.183 174.700 0.006 0.000 1.034 291 T CA -0.022 62.091 62.100 0.021 0.000 1.060 291 T CB 0.044 68.927 68.868 0.024 0.000 0.983 291 T HN 0.357 nan 8.240 nan 0.000 0.482 292 N N 1.708 120.404 118.700 -0.006 0.000 2.205 292 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 292 N C 0.612 176.102 175.510 -0.034 0.000 1.015 292 N CA 1.526 54.563 53.050 -0.023 0.000 0.862 292 N CB -0.135 38.331 38.487 -0.035 0.000 0.986 292 N HN 0.397 nan 8.380 nan 0.000 0.429 293 D N 0.410 120.795 120.400 -0.025 0.000 2.355 293 D HA 0.021 4.661 4.640 -0.000 0.000 0.218 293 D C 1.510 177.818 176.300 0.012 0.000 1.004 293 D CA 0.121 54.109 54.000 -0.020 0.000 0.880 293 D CB 0.194 41.020 40.800 0.043 0.000 0.911 293 D HN 0.356 nan 8.370 nan 0.000 0.528 294 L N 0.451 121.681 121.223 0.012 0.000 2.599 294 L HA -0.005 4.335 4.340 -0.000 0.000 0.230 294 L C 0.170 177.039 176.870 -0.002 0.000 1.141 294 L CA 0.099 54.947 54.840 0.013 0.000 0.877 294 L CB -0.147 41.920 42.059 0.014 0.000 1.009 294 L HN -0.168 nan 8.230 nan 0.000 0.447 295 Q N -0.061 119.732 119.800 -0.012 0.000 2.452 295 Q HA -0.226 4.114 4.340 -0.000 0.000 0.318 295 Q C 1.054 177.045 176.000 -0.014 0.000 1.386 295 Q CA 0.637 56.429 55.803 -0.018 0.000 0.872 295 Q CB -2.092 26.633 28.738 -0.022 0.000 1.151 295 Q HN 0.532 nan 8.270 nan 0.000 0.417 296 L N -1.506 119.711 121.223 -0.011 0.000 2.191 296 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 296 L C 2.264 179.126 176.870 -0.013 0.000 1.103 296 L CA 1.467 56.301 54.840 -0.010 0.000 0.769 296 L CB -0.436 41.620 42.059 -0.005 0.000 0.908 296 L HN 0.558 nan 8.230 nan 0.000 0.438 297 G N 0.196 108.988 108.800 -0.014 0.000 2.469 297 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.220 297 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.220 297 G C 1.283 176.173 174.900 -0.017 0.000 1.136 297 G CA 0.747 45.838 45.100 -0.015 0.000 0.759 297 G HN 0.359 nan 8.290 nan 0.000 0.562 298 N N -0.039 118.650 118.700 -0.018 0.000 2.322 298 N HA -0.127 4.613 4.740 -0.000 0.000 0.189 298 N C 1.959 177.457 175.510 -0.020 0.000 1.012 298 N CA 1.697 54.735 53.050 -0.019 0.000 0.880 298 N CB 0.024 38.499 38.487 -0.020 0.000 0.967 298 N HN 0.539 nan 8.380 nan 0.000 0.439 299 V N -6.400 113.502 119.914 -0.021 0.000 3.392 299 V HA 0.530 4.650 4.120 -0.000 0.000 0.294 299 V C 0.935 177.014 176.094 -0.025 0.000 1.561 299 V CA 0.399 62.684 62.300 -0.025 0.000 1.056 299 V CB 0.238 32.043 31.823 -0.030 0.000 0.882 299 V HN 0.124 nan 8.190 nan 0.000 0.440 300 G N 1.137 109.925 108.800 -0.020 0.000 2.160 300 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.244 300 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.244 300 G C 0.077 174.966 174.900 -0.017 0.000 1.022 300 G CA 0.178 45.268 45.100 -0.017 0.000 0.741 300 G HN 1.044 nan 8.290 nan 0.000 0.508 301 V N 0.989 120.892 119.914 -0.018 0.000 2.493 301 V HA 0.139 4.259 4.120 -0.000 0.000 0.292 301 V C 1.209 177.299 176.094 -0.007 0.000 1.016 301 V CA 0.490 62.780 62.300 -0.016 0.000 1.097 301 V CB 0.830 32.643 31.823 -0.016 0.000 0.947 301 V HN 0.384 nan 8.190 nan 0.000 0.479 302 K N 5.416 125.813 120.400 -0.005 0.000 2.270 302 K HA 0.518 4.838 4.320 -0.000 0.000 0.276 302 K C -0.540 176.064 176.600 0.006 0.000 1.023 302 K CA -0.322 55.966 56.287 0.000 0.000 0.955 302 K CB 0.851 33.352 32.500 0.001 0.000 0.975 302 K HN 0.495 nan 8.250 nan 0.000 0.471 303 L N 1.259 122.486 121.223 0.007 0.000 2.334 303 L HA 0.378 4.718 4.340 -0.000 0.000 0.270 303 L C 0.802 177.679 176.870 0.011 0.000 1.018 303 L CA -0.982 53.865 54.840 0.012 0.000 0.811 303 L CB 1.708 43.775 42.059 0.013 0.000 1.271 303 L HN 0.756 nan 8.230 nan 0.000 0.443 304 T N -2.903 111.659 114.554 0.014 0.000 2.847 304 T HA 0.294 4.644 4.350 -0.000 0.000 0.279 304 T C -1.916 172.793 174.700 0.014 0.000 0.984 304 T CA -1.510 60.597 62.100 0.012 0.000 0.988 304 T CB 1.181 70.056 68.868 0.011 0.000 1.040 304 T HN 0.355 nan 8.240 nan 0.000 0.528 305 P HA 0.031 nan 4.420 nan 0.000 0.216 305 P C 1.003 178.314 177.300 0.018 0.000 1.153 305 P CA 1.042 64.150 63.100 0.014 0.000 0.848 305 P CB -0.026 31.681 31.700 0.012 0.000 0.787 306 K N -1.485 118.928 120.400 0.020 0.000 2.574 306 K HA 0.158 4.478 4.320 -0.000 0.000 0.193 306 K C 1.358 177.976 176.600 0.031 0.000 1.035 306 K CA 0.867 57.170 56.287 0.027 0.000 0.982 306 K CB -0.629 31.887 32.500 0.027 0.000 0.795 306 K HN 0.226 nan 8.250 nan 0.000 0.491 307 G N -0.144 108.673 108.800 0.028 0.000 2.195 307 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.224 307 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.224 307 G C 0.419 175.339 174.900 0.033 0.000 0.990 307 G CA -0.374 44.745 45.100 0.031 0.000 0.639 307 G HN 0.510 nan 8.290 nan 0.000 0.514 308 G N -0.241 108.577 108.800 0.031 0.000 2.527 308 G HA2 0.538 4.498 3.960 -0.000 0.000 0.248 308 G HA3 0.538 4.498 3.960 -0.000 0.000 0.248 308 G C 0.455 175.372 174.900 0.027 0.000 1.231 308 G CA 0.291 45.410 45.100 0.032 0.000 0.838 308 G HN 0.970 nan 8.290 nan 0.000 0.570 309 V N 2.022 121.955 119.914 0.031 0.000 2.485 309 V HA 0.023 4.143 4.120 -0.000 0.000 0.287 309 V C 0.691 176.801 176.094 0.027 0.000 1.022 309 V CA -0.010 62.308 62.300 0.029 0.000 1.067 309 V CB 0.890 32.734 31.823 0.036 0.000 0.967 309 V HN 0.835 nan 8.190 nan 0.000 0.479 310 Q N 5.334 125.147 119.800 0.021 0.000 2.313 310 Q HA 0.436 4.776 4.340 -0.000 0.000 0.266 310 Q C -0.631 175.387 176.000 0.030 0.000 0.989 310 Q CA 0.033 55.848 55.803 0.020 0.000 0.890 310 Q CB 1.250 29.997 28.738 0.015 0.000 1.200 310 Q HN 0.732 nan 8.270 nan 0.000 0.396 311 V N 0.682 120.617 119.914 0.035 0.000 3.078 311 V HA 0.661 4.781 4.120 -0.000 0.000 0.311 311 V C -0.670 175.460 176.094 0.059 0.000 1.138 311 V CA -1.081 61.255 62.300 0.060 0.000 1.007 311 V CB 1.907 33.778 31.823 0.079 0.000 1.045 311 V HN 0.907 nan 8.190 nan 0.000 0.432 312 D N 0.399 120.853 120.400 0.091 0.000 2.433 312 D HA 0.215 4.855 4.640 -0.000 0.000 0.255 312 D C 0.875 177.219 176.300 0.075 0.000 1.226 312 D CA -0.132 53.925 54.000 0.094 0.000 1.015 312 D CB 0.485 41.374 40.800 0.148 0.000 1.091 312 D HN 0.706 nan 8.370 nan 0.000 0.527 313 E N -1.251 118.961 120.200 0.019 0.000 2.208 313 E HA -0.208 4.142 4.350 -0.000 0.000 0.202 313 E C 0.839 177.296 176.600 -0.239 0.000 1.014 313 E CA 1.229 57.547 56.400 -0.137 0.000 0.819 313 E CB -0.305 29.208 29.700 -0.312 0.000 0.735 313 E HN 0.431 nan 8.360 nan 0.000 0.469 314 F N -0.461 119.530 119.950 0.068 0.000 2.639 314 F HA 0.182 4.709 4.527 -0.000 0.000 0.300 314 F C 0.753 176.598 175.800 0.076 0.000 1.109 314 F CA -0.017 58.017 58.000 0.056 0.000 1.335 314 F CB 0.550 39.573 39.000 0.038 0.000 1.014 314 F HN -0.249 nan 8.300 nan 0.000 0.537 315 S N -0.307 115.517 115.700 0.207 0.000 3.361 315 S HA -0.226 4.244 4.470 -0.000 0.000 0.288 315 S C 0.516 175.280 174.600 0.274 0.000 1.269 315 S CA 0.277 58.596 58.200 0.198 0.000 0.976 315 S CB -1.369 61.931 63.200 0.166 0.000 1.162 315 S HN 0.448 nan 8.310 nan 0.000 0.643 316 R N 2.044 122.706 120.500 0.270 0.000 2.357 316 R HA 0.415 4.755 4.340 -0.000 0.000 0.296 316 R C 1.194 177.558 176.300 0.108 0.000 1.052 316 R CA 0.334 56.582 56.100 0.246 0.000 0.988 316 R CB 0.661 31.089 30.300 0.213 0.000 1.025 316 R HN 0.508 nan 8.270 nan 0.000 0.469 317 T N -1.041 113.524 114.554 0.018 0.000 2.793 317 T HA -0.014 4.336 4.350 -0.000 0.000 0.299 317 T C 1.322 176.014 174.700 -0.013 0.000 1.038 317 T CA -0.584 61.514 62.100 -0.003 0.000 0.948 317 T CB 0.413 69.261 68.868 -0.034 0.000 1.231 317 T HN 0.683 nan 8.240 nan 0.000 0.538 318 N N -0.481 118.211 118.700 -0.014 0.000 2.550 318 N HA -0.037 4.703 4.740 -0.000 0.000 0.186 318 N C -0.020 175.468 175.510 -0.037 0.000 1.110 318 N CA 0.125 53.165 53.050 -0.016 0.000 0.912 318 N CB -0.462 38.020 38.487 -0.010 0.000 0.968 318 N HN 0.393 nan 8.380 nan 0.000 0.448 319 V N 3.348 123.224 119.914 -0.064 0.000 2.333 319 V HA 0.321 4.441 4.120 -0.000 0.000 0.274 319 V C -2.120 173.892 176.094 -0.137 0.000 1.028 319 V CA -1.840 60.409 62.300 -0.086 0.000 0.851 319 V CB 1.349 33.123 31.823 -0.082 0.000 1.000 319 V HN 0.072 nan 8.190 nan 0.000 0.456 320 P HA 0.116 nan 4.420 nan 0.000 0.267 320 P C 0.239 177.419 177.300 -0.200 0.000 1.200 320 P CA 0.313 63.336 63.100 -0.128 0.000 0.772 320 P CB 0.272 31.929 31.700 -0.071 0.000 0.855 321 N N -1.322 117.216 118.700 -0.270 0.000 2.936 321 N HA -0.179 4.561 4.740 -0.000 0.000 0.236 321 N C -0.384 174.799 175.510 -0.545 0.000 0.930 321 N CA 0.583 53.460 53.050 -0.289 0.000 0.966 321 N CB -1.527 36.844 38.487 -0.193 0.000 1.090 321 N HN 0.432 nan 8.380 nan 0.000 0.592 322 I N 0.877 121.036 120.570 -0.685 0.000 2.406 322 I HA 0.403 4.573 4.170 -0.000 0.000 0.290 322 I C -0.683 175.045 176.117 -0.649 0.000 0.999 322 I CA -0.748 60.236 61.300 -0.526 0.000 1.124 322 I CB 0.764 38.634 38.000 -0.217 0.000 1.289 322 I HN -0.064 nan 8.210 nan 0.000 0.441 323 Y N 4.146 124.480 120.300 0.056 0.000 2.570 323 Y HA 0.827 5.377 4.550 -0.000 0.000 0.345 323 Y C 0.043 175.977 175.900 0.056 0.000 1.014 323 Y CA -1.132 57.002 58.100 0.056 0.000 1.063 323 Y CB 2.004 40.499 38.460 0.058 0.000 1.272 323 Y HN 0.551 nan 8.280 nan 0.000 0.477 324 A N 2.312 125.262 122.820 0.217 0.000 2.455 324 A HA 0.879 5.199 4.320 -0.000 0.000 0.300 324 A C -1.267 176.398 177.584 0.134 0.000 1.040 324 A CA -0.604 51.519 52.037 0.144 0.000 0.697 324 A CB 0.931 19.989 19.000 0.096 0.000 1.265 324 A HN 0.816 nan 8.150 nan 0.000 0.407 325 I N -0.981 119.659 120.570 0.116 0.000 3.095 325 I HA 0.967 5.137 4.170 -0.000 0.000 0.310 325 I C 0.426 176.598 176.117 0.090 0.000 1.196 325 I CA -0.087 61.276 61.300 0.105 0.000 0.985 325 I CB 2.088 40.150 38.000 0.102 0.000 1.250 325 I HN 2.063 nan 8.210 nan 0.000 0.446 326 G N 2.831 111.684 108.800 0.089 0.000 2.568 326 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.222 326 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.222 326 G C -0.106 174.837 174.900 0.072 0.000 1.321 326 G CA 0.439 45.586 45.100 0.078 0.000 0.893 326 G HN 0.816 nan 8.290 nan 0.000 0.569 327 D N -0.201 120.240 120.400 0.068 0.000 2.264 327 D HA -0.020 4.620 4.640 -0.000 0.000 0.208 327 D C 2.303 178.644 176.300 0.069 0.000 0.966 327 D CA 0.883 54.923 54.000 0.066 0.000 0.864 327 D CB -0.070 40.774 40.800 0.074 0.000 0.933 327 D HN 0.460 nan 8.370 nan 0.000 0.499 328 I N 1.037 121.650 120.570 0.072 0.000 2.657 328 I HA -0.237 3.933 4.170 -0.000 0.000 0.261 328 I C 1.610 177.761 176.117 0.056 0.000 1.212 328 I CA 1.304 62.644 61.300 0.067 0.000 1.453 328 I CB 0.038 38.077 38.000 0.065 0.000 1.092 328 I HN 0.069 nan 8.210 nan 0.000 0.452 329 T N -3.866 110.720 114.554 0.052 0.000 3.060 329 T HA 0.022 4.372 4.350 -0.000 0.000 0.249 329 T C 0.998 175.710 174.700 0.019 0.000 1.079 329 T CA 0.381 62.503 62.100 0.036 0.000 1.013 329 T CB 0.003 68.893 68.868 0.037 0.000 0.975 329 T HN 0.362 nan 8.240 nan 0.000 0.518 330 D N 0.970 121.388 120.400 0.029 0.000 2.911 330 D HA -0.182 4.457 4.640 -0.000 0.000 0.227 330 D C 0.919 177.217 176.300 -0.003 0.000 1.164 330 D CA 0.712 54.726 54.000 0.023 0.000 0.782 330 D CB -1.022 39.794 40.800 0.027 0.000 1.094 330 D HN 0.605 nan 8.370 nan 0.000 0.425 331 R N -0.721 119.765 120.500 -0.023 0.000 2.024 331 R HA 0.365 4.705 4.340 -0.000 0.000 0.216 331 R C 0.687 176.966 176.300 -0.034 0.000 1.259 331 R CA 0.276 56.320 56.100 -0.093 0.000 1.001 331 R CB 0.375 30.521 30.300 -0.257 0.000 0.881 331 R HN 0.121 nan 8.270 nan 0.000 0.459 332 L N 1.777 123.021 121.223 0.034 0.000 2.404 332 L HA 0.412 4.752 4.340 -0.000 0.000 0.272 332 L C -0.849 176.050 176.870 0.047 0.000 0.980 332 L CA -0.326 54.551 54.840 0.062 0.000 0.836 332 L CB 2.141 44.275 42.059 0.125 0.000 1.238 332 L HN 0.270 nan 8.230 nan 0.000 0.408 333 M N 6.369 125.976 119.600 0.011 0.000 3.176 333 M HA 0.379 4.859 4.480 -0.000 0.000 0.284 333 M C -1.000 175.272 176.300 -0.048 0.000 1.392 333 M CA 0.192 55.488 55.300 -0.006 0.000 1.520 333 M CB -0.108 32.486 32.600 -0.010 0.000 1.100 333 M HN 0.360 nan 8.290 nan 0.000 0.555 334 L N -0.158 121.060 121.223 -0.009 0.000 2.401 334 L HA 0.424 4.764 4.340 -0.000 0.000 0.266 334 L C 1.174 178.057 176.870 0.020 0.000 0.991 334 L CA -0.574 54.260 54.840 -0.010 0.000 0.818 334 L CB 2.229 44.294 42.059 0.011 0.000 1.321 334 L HN 0.303 nan 8.230 nan 0.000 0.413 335 T N 1.300 115.867 114.554 0.023 0.000 2.652 335 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 335 T C -1.030 173.691 174.700 0.035 0.000 1.039 335 T CA 1.879 63.997 62.100 0.030 0.000 1.153 335 T CB -0.564 68.321 68.868 0.028 0.000 0.863 335 T HN 0.487 nan 8.240 nan 0.000 0.428 336 P HA -0.018 nan 4.420 nan 0.000 0.219 336 P C 1.443 178.760 177.300 0.029 0.000 1.146 336 P CA 0.588 63.710 63.100 0.036 0.000 0.808 336 P CB -0.118 31.607 31.700 0.041 0.000 0.779 337 V N -0.088 119.846 119.914 0.033 0.000 2.346 337 V HA -0.150 3.970 4.120 -0.000 0.000 0.244 337 V C 2.464 178.585 176.094 0.044 0.000 1.037 337 V CA 1.891 64.209 62.300 0.030 0.000 1.029 337 V CB -1.637 30.222 31.823 0.060 0.000 0.663 337 V HN 0.073 nan 8.190 nan 0.000 0.454 338 A N 0.271 123.124 122.820 0.056 0.000 1.927 338 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 338 A C 2.171 179.789 177.584 0.055 0.000 1.185 338 A CA 2.383 54.457 52.037 0.061 0.000 0.639 338 A CB -0.692 18.341 19.000 0.056 0.000 0.820 338 A HN 0.519 nan 8.150 nan 0.000 0.451 339 I N -0.309 120.289 120.570 0.046 0.000 2.163 339 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 339 I C 2.578 178.723 176.117 0.047 0.000 1.085 339 I CA 1.696 63.025 61.300 0.048 0.000 1.347 339 I CB -0.454 37.571 38.000 0.041 0.000 1.044 339 I HN 0.513 nan 8.210 nan 0.000 0.408 340 N N 0.853 119.570 118.700 0.029 0.000 2.216 340 N HA -0.186 4.553 4.740 -0.000 0.000 0.183 340 N C 1.741 177.261 175.510 0.016 0.000 1.017 340 N CA 1.273 54.332 53.050 0.014 0.000 0.861 340 N CB 0.092 38.567 38.487 -0.020 0.000 0.986 340 N HN 0.413 nan 8.380 nan 0.000 0.428 341 E N -0.287 119.927 120.200 0.023 0.000 2.058 341 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 341 E C 1.914 178.547 176.600 0.056 0.000 0.997 341 E CA 1.228 57.654 56.400 0.043 0.000 0.801 341 E CB -0.298 29.450 29.700 0.079 0.000 0.746 341 E HN 0.452 nan 8.360 nan 0.000 0.450 342 G N 0.815 109.654 108.800 0.065 0.000 2.408 342 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 342 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 342 G C 1.661 176.609 174.900 0.080 0.000 1.150 342 G CA 0.743 45.888 45.100 0.074 0.000 0.776 342 G HN 0.337 nan 8.290 nan 0.000 0.542 343 A N 1.186 124.057 122.820 0.084 0.000 1.898 343 A HA 0.310 4.630 4.320 -0.000 0.000 0.216 343 A C 2.776 180.415 177.584 0.090 0.000 1.181 343 A CA 2.121 54.219 52.037 0.101 0.000 0.620 343 A CB -0.696 18.360 19.000 0.093 0.000 0.819 343 A HN 0.716 nan 8.150 nan 0.000 0.442 344 A N -0.717 122.142 122.820 0.064 0.000 1.969 344 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 344 A C 2.117 179.731 177.584 0.050 0.000 1.169 344 A CA 1.587 53.661 52.037 0.063 0.000 0.635 344 A CB -0.504 18.523 19.000 0.045 0.000 0.810 344 A HN 0.603 nan 8.150 nan 0.000 0.445 345 L N -0.282 120.951 121.223 0.018 0.000 2.027 345 L HA -0.072 4.268 4.340 -0.000 0.000 0.206 345 L C 2.388 179.167 176.870 -0.152 0.000 1.074 345 L CA 1.700 56.492 54.840 -0.081 0.000 0.745 345 L CB -0.411 41.586 42.059 -0.104 0.000 0.898 345 L HN 0.140 nan 8.230 nan 0.000 0.433 346 V N -0.002 119.896 119.914 -0.026 0.000 2.287 346 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 346 V C 2.260 178.338 176.094 -0.027 0.000 1.053 346 V CA 2.054 64.383 62.300 0.049 0.000 1.027 346 V CB -0.831 31.129 31.823 0.228 0.000 0.646 346 V HN 0.470 nan 8.190 nan 0.000 0.447 347 D N -0.297 120.140 120.400 0.062 0.000 2.182 347 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 347 D C 2.261 178.515 176.300 -0.077 0.000 0.986 347 D CA 1.835 55.875 54.000 0.066 0.000 0.847 347 D CB -0.258 40.625 40.800 0.138 0.000 0.942 347 D HN 0.415 nan 8.370 nan 0.000 0.467 348 T N -0.078 114.411 114.554 -0.108 0.000 2.812 348 T HA -0.036 4.314 4.350 -0.000 0.000 0.264 348 T C 2.185 176.693 174.700 -0.319 0.000 1.042 348 T CA 0.452 62.452 62.100 -0.166 0.000 1.140 348 T CB -0.031 68.777 68.868 -0.101 0.000 0.870 348 T HN -0.042 nan 8.240 nan 0.000 0.445 349 V N 0.323 119.936 119.914 -0.501 0.000 2.346 349 V HA 0.027 4.147 4.120 -0.000 0.000 0.244 349 V C 1.570 177.157 176.094 -0.846 0.000 1.037 349 V CA 1.474 63.287 62.300 -0.810 0.000 1.029 349 V CB -0.393 30.636 31.823 -1.322 0.000 0.663 349 V HN 0.427 nan 8.190 nan 0.000 0.454 350 F N -0.079 119.570 119.950 -0.501 0.000 2.695 350 F HA 0.525 5.052 4.527 -0.000 0.000 0.303 350 F C 1.065 176.415 175.800 -0.750 0.000 1.091 350 F CA 0.049 57.680 58.000 -0.616 0.000 1.300 350 F CB -0.131 38.408 39.000 -0.768 0.000 1.071 350 F HN 0.152 nan 8.300 nan 0.000 0.578 351 G N -0.885 107.666 108.800 -0.416 0.000 3.013 351 G HA2 0.178 4.138 3.960 -0.000 0.000 0.278 351 G HA3 0.178 4.138 3.960 -0.000 0.000 0.278 351 G C 0.323 175.194 174.900 -0.049 0.000 1.353 351 G CA -0.401 44.580 45.100 -0.198 0.000 1.043 351 G HN -0.115 nan 8.290 nan 0.000 0.523 352 N N -0.320 118.407 118.700 0.046 0.000 2.019 352 N HA -0.147 4.593 4.740 -0.000 0.000 0.198 352 N C 0.809 176.319 175.510 0.000 0.000 1.065 352 N CA 1.439 54.508 53.050 0.032 0.000 0.881 352 N CB -0.200 38.322 38.487 0.059 0.000 1.079 352 N HN 0.552 nan 8.380 nan 0.000 0.460 353 K N 0.156 120.566 120.400 0.015 0.000 2.164 353 K HA 0.437 4.757 4.320 -0.000 0.000 0.258 353 K C -2.686 173.919 176.600 0.007 0.000 0.951 353 K CA -1.910 54.381 56.287 0.007 0.000 0.844 353 K CB 1.733 34.251 32.500 0.030 0.000 1.099 353 K HN -0.008 nan 8.250 nan 0.000 0.435 354 P HA 0.174 nan 4.420 nan 0.000 0.271 354 P C -1.244 176.184 177.300 0.212 0.000 1.218 354 P CA -0.258 62.842 63.100 -0.000 0.000 0.780 354 P CB 0.713 32.255 31.700 -0.263 0.000 0.901 355 R N 1.915 122.599 120.500 0.307 0.000 2.628 355 R HA 0.434 4.774 4.340 -0.000 0.000 0.288 355 R C -0.264 176.176 176.300 0.234 0.000 0.980 355 R CA -0.961 55.291 56.100 0.253 0.000 0.891 355 R CB 2.562 32.936 30.300 0.124 0.000 1.188 355 R HN 0.525 nan 8.270 nan 0.000 0.450 356 K N 0.501 120.889 120.400 -0.020 0.000 2.318 356 K HA 0.448 4.768 4.320 -0.000 0.000 0.249 356 K C -0.704 175.798 176.600 -0.163 0.000 0.942 356 K CA -0.787 55.344 56.287 -0.259 0.000 0.808 356 K CB 1.997 34.082 32.500 -0.692 0.000 1.189 356 K HN 0.196 nan 8.250 nan 0.000 0.428 357 T N 1.775 116.225 114.554 -0.173 0.000 2.884 357 T HA 0.004 4.354 4.350 -0.000 0.000 0.298 357 T C -0.631 173.856 174.700 -0.356 0.000 0.998 357 T CA 0.045 61.995 62.100 -0.251 0.000 1.124 357 T CB 0.610 69.274 68.868 -0.340 0.000 0.931 357 T HN 0.586 nan 8.240 nan 0.000 0.531 358 D N 1.152 121.384 120.400 -0.280 0.000 2.396 358 D HA 0.149 4.789 4.640 -0.000 0.000 0.225 358 D C 0.463 176.610 176.300 -0.255 0.000 1.121 358 D CA -0.461 53.423 54.000 -0.194 0.000 0.853 358 D CB 0.499 41.246 40.800 -0.088 0.000 1.043 358 D HN 0.540 nan 8.370 nan 0.000 0.500 359 H N 1.054 120.115 119.070 -0.015 0.000 2.556 359 H HA 0.120 4.676 4.556 -0.000 0.000 0.268 359 H C 0.757 176.087 175.328 0.004 0.000 0.996 359 H CA 0.547 56.593 56.048 -0.004 0.000 1.157 359 H CB 0.092 29.850 29.762 -0.007 0.000 1.355 359 H HN 0.348 nan 8.280 nan 0.000 0.597 360 T N -1.663 112.934 114.554 0.072 0.000 2.902 360 T HA 0.273 4.623 4.350 -0.000 0.000 0.280 360 T C 0.591 175.313 174.700 0.036 0.000 0.992 360 T CA -1.031 61.103 62.100 0.057 0.000 1.015 360 T CB 1.312 70.211 68.868 0.051 0.000 1.044 360 T HN 0.381 nan 8.240 nan 0.000 0.520 361 R N -0.618 119.904 120.500 0.038 0.000 3.502 361 R HA -0.102 4.237 4.340 -0.000 0.000 0.266 361 R C -0.482 175.834 176.300 0.025 0.000 1.077 361 R CA 0.351 56.468 56.100 0.028 0.000 0.718 361 R CB -2.454 27.860 30.300 0.024 0.000 1.120 361 R HN 0.545 nan 8.270 nan 0.000 0.457 362 V N 1.062 120.996 119.914 0.033 0.000 2.455 362 V HA 0.397 4.517 4.120 -0.000 0.000 0.273 362 V C 1.123 177.245 176.094 0.046 0.000 1.045 362 V CA 0.043 62.365 62.300 0.036 0.000 0.976 362 V CB 1.319 33.169 31.823 0.045 0.000 0.993 362 V HN 0.393 nan 8.190 nan 0.000 0.475 363 A N 5.095 127.943 122.820 0.046 0.000 2.401 363 A HA 0.736 5.056 4.320 -0.000 0.000 0.259 363 A C 0.484 178.115 177.584 0.079 0.000 1.103 363 A CA 0.242 52.312 52.037 0.054 0.000 0.789 363 A CB 0.481 19.510 19.000 0.047 0.000 1.035 363 A HN 1.166 nan 8.150 nan 0.000 0.491 364 S N 0.304 116.066 115.700 0.102 0.000 2.705 364 S HA 0.908 5.378 4.470 -0.000 0.000 0.280 364 S C -0.624 174.051 174.600 0.125 0.000 1.174 364 S CA -0.146 58.140 58.200 0.142 0.000 0.823 364 S CB 1.396 64.721 63.200 0.208 0.000 1.162 364 S HN 2.338 nan 8.310 nan 0.000 0.487 365 A N 0.196 123.086 122.820 0.117 0.000 2.572 365 A HA 0.758 5.078 4.320 -0.000 0.000 0.295 365 A C -1.400 176.123 177.584 -0.102 0.000 1.072 365 A CA -0.732 51.221 52.037 -0.140 0.000 0.691 365 A CB 1.633 20.314 19.000 -0.531 0.000 1.291 365 A HN 1.250 nan 8.150 nan 0.000 0.404 366 V N 1.456 121.202 119.914 -0.281 0.000 2.370 366 V HA 0.341 4.461 4.120 -0.000 0.000 0.283 366 V C -0.665 175.199 176.094 -0.384 0.000 1.023 366 V CA -0.096 62.061 62.300 -0.239 0.000 0.857 366 V CB 0.780 32.322 31.823 -0.469 0.000 0.985 366 V HN 0.723 nan 8.190 nan 0.000 0.443 367 F N 2.955 122.920 119.950 0.025 0.000 2.783 367 F HA 0.191 4.718 4.527 -0.000 0.000 0.338 367 F C 1.490 177.251 175.800 -0.066 0.000 1.178 367 F CA -0.307 57.680 58.000 -0.022 0.000 1.343 367 F CB -0.460 38.533 39.000 -0.012 0.000 1.496 367 F HN 0.548 nan 8.300 nan 0.000 0.583 368 S N -0.281 115.402 115.700 -0.029 0.000 2.624 368 S HA 0.543 5.013 4.470 -0.000 0.000 0.263 368 S C -0.186 174.387 174.600 -0.045 0.000 1.287 368 S CA -0.698 57.465 58.200 -0.061 0.000 0.990 368 S CB 1.437 64.550 63.200 -0.144 0.000 0.950 368 S HN 0.277 nan 8.310 nan 0.000 0.561 369 I N 2.707 123.249 120.570 -0.046 0.000 2.388 369 I HA 0.334 4.504 4.170 -0.000 0.000 0.281 369 I C -2.137 173.955 176.117 -0.041 0.000 1.046 369 I CA -2.027 59.249 61.300 -0.041 0.000 1.187 369 I CB 1.443 39.424 38.000 -0.032 0.000 1.351 369 I HN 0.530 nan 8.210 nan 0.000 0.472 370 P HA 0.466 nan 4.420 nan 0.000 0.281 370 P C -2.843 174.383 177.300 -0.123 0.000 1.264 370 P CA -2.011 61.039 63.100 -0.082 0.000 0.824 370 P CB 0.868 32.508 31.700 -0.100 0.000 1.092 371 P HA 0.436 nan 4.420 nan 0.000 0.281 371 P C -0.519 176.639 177.300 -0.237 0.000 1.264 371 P CA -0.420 62.577 63.100 -0.173 0.000 0.824 371 P CB 1.201 32.827 31.700 -0.124 0.000 1.092 372 I N 0.032 120.430 120.570 -0.287 0.000 2.530 372 I HA 0.606 4.776 4.170 -0.000 0.000 0.297 372 I C 0.561 176.562 176.117 -0.193 0.000 1.011 372 I CA -0.478 60.671 61.300 -0.252 0.000 1.107 372 I CB 2.160 39.967 38.000 -0.322 0.000 1.285 372 I HN 0.385 nan 8.210 nan 0.000 0.436 373 G N 2.136 110.877 108.800 -0.098 0.000 2.687 373 G HA2 0.601 4.561 3.960 -0.000 0.000 0.301 373 G HA3 0.601 4.561 3.960 -0.000 0.000 0.301 373 G C -1.291 173.635 174.900 0.043 0.000 1.416 373 G CA -0.352 44.728 45.100 -0.032 0.000 1.005 373 G HN 0.476 nan 8.290 nan 0.000 0.509 374 T N -0.338 114.267 114.554 0.084 0.000 2.956 374 T HA 0.544 4.894 4.350 -0.000 0.000 0.312 374 T C -1.464 173.258 174.700 0.037 0.000 1.151 374 T CA -0.478 61.682 62.100 0.101 0.000 1.024 374 T CB 1.426 70.464 68.868 0.284 0.000 1.140 374 T HN 1.091 nan 8.240 nan 0.000 0.473 375 C N 3.926 123.186 119.300 -0.067 0.000 2.551 375 C HA 0.914 5.374 4.460 -0.000 0.000 0.332 375 C C 0.725 175.666 174.990 -0.081 0.000 1.139 375 C CA 1.169 60.164 59.018 -0.037 0.000 1.328 375 C CB -0.084 27.644 27.740 -0.020 0.000 1.903 375 C HN 1.708 nan 8.230 nan 0.000 0.459 376 G N 4.592 113.390 108.800 -0.002 0.000 2.512 376 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.210 376 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.210 376 G C -1.137 173.819 174.900 0.093 0.000 1.295 376 G CA -0.387 44.724 45.100 0.018 0.000 0.934 376 G HN 1.037 nan 8.290 nan 0.000 0.554 377 L N 1.384 122.667 121.223 0.101 0.000 2.349 377 L HA 0.515 4.855 4.340 -0.000 0.000 0.275 377 L C 1.552 178.544 176.870 0.204 0.000 1.115 377 L CA -0.662 54.250 54.840 0.121 0.000 0.820 377 L CB 0.962 43.080 42.059 0.099 0.000 1.135 377 L HN 0.730 nan 8.230 nan 0.000 0.445 378 I N -0.071 120.535 120.570 0.060 0.000 2.945 378 I HA 0.085 4.255 4.170 -0.000 0.000 0.292 378 I C 1.333 177.425 176.117 -0.042 0.000 1.093 378 I CA -0.483 60.762 61.300 -0.092 0.000 1.336 378 I CB 0.845 38.700 38.000 -0.243 0.000 1.435 378 I HN 0.839 nan 8.210 nan 0.000 0.593 379 E N 2.670 122.831 120.200 -0.065 0.000 2.106 379 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 379 E C 1.321 177.742 176.600 -0.298 0.000 0.984 379 E CA 1.228 57.561 56.400 -0.113 0.000 0.806 379 E CB -0.349 29.351 29.700 -0.001 0.000 0.750 379 E HN 0.834 nan 8.360 nan 0.000 0.458 380 E N 1.651 121.711 120.200 -0.234 0.000 2.204 380 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 380 E C 2.198 178.713 176.600 -0.141 0.000 0.990 380 E CA 0.975 57.231 56.400 -0.239 0.000 0.821 380 E CB -0.393 29.235 29.700 -0.120 0.000 0.750 380 E HN 0.291 nan 8.360 nan 0.000 0.477 381 V N 1.915 121.779 119.914 -0.082 0.000 2.331 381 V HA -0.086 4.034 4.120 -0.000 0.000 0.242 381 V C 2.683 178.792 176.094 0.026 0.000 1.034 381 V CA 1.437 63.722 62.300 -0.025 0.000 1.027 381 V CB -0.805 31.014 31.823 -0.007 0.000 0.667 381 V HN 0.382 nan 8.190 nan 0.000 0.457 382 A N 0.595 123.448 122.820 0.055 0.000 1.896 382 A HA -0.313 4.007 4.320 -0.000 0.000 0.220 382 A C 2.365 180.053 177.584 0.172 0.000 1.206 382 A CA 2.717 54.859 52.037 0.175 0.000 0.647 382 A CB -1.053 18.002 19.000 0.091 0.000 0.828 382 A HN 0.660 nan 8.150 nan 0.000 0.455 383 A N -1.117 121.685 122.820 -0.030 0.000 2.131 383 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 383 A C 2.031 179.640 177.584 0.042 0.000 1.158 383 A CA 1.721 53.743 52.037 -0.024 0.000 0.665 383 A CB -0.329 18.498 19.000 -0.287 0.000 0.795 383 A HN 0.589 nan 8.150 nan 0.000 0.460 384 K N -0.982 119.428 120.400 0.017 0.000 2.323 384 K HA 0.040 4.360 4.320 -0.000 0.000 0.197 384 K C 1.340 177.919 176.600 -0.034 0.000 1.043 384 K CA 0.835 57.123 56.287 0.001 0.000 0.997 384 K CB 0.172 32.664 32.500 -0.013 0.000 0.807 384 K HN 0.567 nan 8.250 nan 0.000 0.497 385 E N -0.518 119.650 120.200 -0.052 0.000 2.340 385 E HA 0.084 4.434 4.350 -0.000 0.000 0.194 385 E C -0.564 175.697 176.600 -0.566 0.000 0.996 385 E CA 0.291 56.509 56.400 -0.304 0.000 0.869 385 E CB 0.424 29.896 29.700 -0.381 0.000 0.835 385 E HN -0.003 nan 8.360 nan 0.000 0.493 386 F N -0.158 119.813 119.950 0.035 0.000 2.547 386 F HA 0.217 4.744 4.527 -0.000 0.000 0.316 386 F C 1.095 176.939 175.800 0.073 0.000 1.121 386 F CA -0.818 57.216 58.000 0.056 0.000 0.911 386 F CB 1.684 40.724 39.000 0.067 0.000 1.179 386 F HN -0.215 nan 8.300 nan 0.000 0.443 387 E N 1.997 122.343 120.200 0.244 0.000 2.058 387 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 387 E C -0.193 176.533 176.600 0.210 0.000 0.997 387 E CA 1.318 57.826 56.400 0.180 0.000 0.801 387 E CB 0.307 30.091 29.700 0.140 0.000 0.746 387 E HN 0.482 nan 8.360 nan 0.000 0.450 388 K N 0.539 121.088 120.400 0.249 0.000 2.358 388 K HA 0.399 4.719 4.320 -0.000 0.000 0.260 388 K C -1.487 175.285 176.600 0.287 0.000 0.956 388 K CA -0.546 55.897 56.287 0.260 0.000 0.834 388 K CB 2.789 35.442 32.500 0.256 0.000 1.102 388 K HN -0.135 nan 8.250 nan 0.000 0.431 389 V N 2.048 122.143 119.914 0.302 0.000 2.540 389 V HA 0.602 4.722 4.120 -0.000 0.000 0.302 389 V C -0.507 175.729 176.094 0.237 0.000 1.035 389 V CA -0.877 61.575 62.300 0.253 0.000 0.873 389 V CB 1.687 33.657 31.823 0.246 0.000 0.992 389 V HN 0.909 nan 8.190 nan 0.000 0.428 390 A N 4.295 127.196 122.820 0.136 0.000 2.325 390 A HA 0.907 5.227 4.320 -0.000 0.000 0.333 390 A C -0.868 176.573 177.584 -0.238 0.000 1.155 390 A CA -0.578 51.350 52.037 -0.181 0.000 0.814 390 A CB 1.641 20.563 19.000 -0.131 0.000 1.206 390 A HN 0.685 nan 8.150 nan 0.000 0.482 391 V N 2.200 121.749 119.914 -0.607 0.000 2.487 391 V HA 0.350 4.470 4.120 -0.000 0.000 0.298 391 V C -1.353 174.375 176.094 -0.610 0.000 1.028 391 V CA -0.313 61.690 62.300 -0.495 0.000 0.860 391 V CB 1.020 32.354 31.823 -0.815 0.000 0.991 391 V HN 0.786 nan 8.190 nan 0.000 0.427 392 Y N 4.995 125.135 120.300 -0.267 0.000 2.330 392 Y HA 0.732 5.282 4.550 -0.000 0.000 0.336 392 Y C 0.187 176.020 175.900 -0.113 0.000 1.036 392 Y CA -0.573 57.418 58.100 -0.182 0.000 1.125 392 Y CB 1.834 40.234 38.460 -0.100 0.000 1.194 392 Y HN 0.628 nan 8.280 nan 0.000 0.469 393 M N 3.342 122.967 119.600 0.041 0.000 2.386 393 M HA 0.615 5.095 4.480 -0.000 0.000 0.293 393 M C -1.521 174.853 176.300 0.124 0.000 1.120 393 M CA -0.305 55.041 55.300 0.078 0.000 0.909 393 M CB 1.888 34.526 32.600 0.064 0.000 1.661 393 M HN 0.547 nan 8.290 nan 0.000 0.452 394 S N 2.583 118.388 115.700 0.176 0.000 2.547 394 S HA 0.758 5.228 4.470 -0.000 0.000 0.281 394 S C -1.687 173.076 174.600 0.272 0.000 1.118 394 S CA -0.471 57.876 58.200 0.245 0.000 0.947 394 S CB 1.966 65.352 63.200 0.309 0.000 1.053 394 S HN 0.793 nan 8.310 nan 0.000 0.482 395 S N 4.254 120.108 115.700 0.255 0.000 2.776 395 S HA 0.769 5.239 4.470 -0.000 0.000 0.284 395 S C -1.245 173.456 174.600 0.168 0.000 1.160 395 S CA -0.711 57.561 58.200 0.120 0.000 1.051 395 S CB -0.068 63.167 63.200 0.058 0.000 1.037 395 S HN 0.772 nan 8.310 nan 0.000 0.485 396 F N 0.485 120.518 119.950 0.137 0.000 2.613 396 F HA 0.645 5.172 4.527 -0.000 0.000 0.310 396 F C -0.106 175.769 175.800 0.125 0.000 1.085 396 F CA -1.030 57.035 58.000 0.108 0.000 0.945 396 F CB 0.735 39.788 39.000 0.089 0.000 1.298 396 F HN 0.213 nan 8.300 nan 0.000 0.455 397 T N 3.887 118.584 114.554 0.239 0.000 2.784 397 T HA 0.232 4.582 4.350 -0.000 0.000 0.291 397 T C -2.305 172.619 174.700 0.373 0.000 0.942 397 T CA -0.410 61.817 62.100 0.212 0.000 1.161 397 T CB 0.008 68.974 68.868 0.163 0.000 0.885 397 T HN 0.335 nan 8.240 nan 0.000 0.534 398 P HA 0.014 nan 4.420 nan 0.000 0.269 398 P C 1.093 178.499 177.300 0.176 0.000 1.211 398 P CA -0.556 62.750 63.100 0.343 0.000 0.781 398 P CB 0.452 32.310 31.700 0.262 0.000 0.877 399 L N 3.030 124.309 121.223 0.094 0.000 1.971 399 L HA -0.213 4.127 4.340 -0.000 0.000 0.215 399 L C 2.110 179.001 176.870 0.034 0.000 1.072 399 L CA 2.199 57.065 54.840 0.044 0.000 0.758 399 L CB -1.545 40.511 42.059 -0.005 0.000 0.889 399 L HN 0.487 nan 8.230 nan 0.000 0.433 400 M N -2.442 117.146 119.600 -0.020 0.000 2.279 400 M HA -0.154 4.326 4.480 -0.000 0.000 0.264 400 M C 1.504 177.801 176.300 -0.005 0.000 1.062 400 M CA 1.685 57.011 55.300 0.043 0.000 1.099 400 M CB -0.976 31.596 32.600 -0.047 0.000 1.394 400 M HN 0.222 nan 8.290 nan 0.000 0.426 401 H N 1.141 120.288 119.070 0.129 0.000 2.547 401 H HA 0.185 4.741 4.556 -0.000 0.000 0.266 401 H C 1.046 176.394 175.328 0.034 0.000 0.988 401 H CA 0.351 56.438 56.048 0.065 0.000 1.147 401 H CB -0.608 29.153 29.762 -0.002 0.000 1.365 401 H HN 0.601 nan 8.280 nan 0.000 0.589 402 N N 1.098 119.861 118.700 0.106 0.000 2.309 402 N HA -0.073 4.667 4.740 -0.000 0.000 0.182 402 N C 1.827 177.336 175.510 -0.002 0.000 1.018 402 N CA 1.172 54.253 53.050 0.052 0.000 0.876 402 N CB 0.459 38.967 38.487 0.034 0.000 0.972 402 N HN 0.574 nan 8.380 nan 0.000 0.434 403 I N -2.584 117.955 120.570 -0.050 0.000 4.526 403 I HA 0.176 4.346 4.170 -0.000 0.000 0.330 403 I C 1.772 177.768 176.117 -0.202 0.000 1.323 403 I CA -0.003 61.183 61.300 -0.191 0.000 1.218 403 I CB 0.045 37.828 38.000 -0.362 0.000 1.233 403 I HN -0.155 nan 8.210 nan 0.000 0.430 404 S N 1.611 117.319 115.700 0.014 0.000 2.442 404 S HA 0.068 4.538 4.470 -0.000 0.000 0.236 404 S C 1.890 176.584 174.600 0.158 0.000 1.007 404 S CA 1.330 59.669 58.200 0.231 0.000 0.965 404 S CB -0.551 62.962 63.200 0.522 0.000 0.773 404 S HN 1.035 nan 8.310 nan 0.000 0.504 405 G N 0.045 108.904 108.800 0.098 0.000 2.195 405 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.246 405 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.246 405 G C 0.406 175.350 174.900 0.074 0.000 0.984 405 G CA 0.164 45.313 45.100 0.083 0.000 0.633 405 G HN 0.707 nan 8.290 nan 0.000 0.525 406 S N 1.620 117.325 115.700 0.009 0.000 3.812 406 S HA 0.301 4.771 4.470 -0.000 0.000 0.195 406 S C 1.663 176.026 174.600 -0.396 0.000 1.460 406 S CA -0.280 57.739 58.200 -0.301 0.000 1.052 406 S CB 0.621 63.440 63.200 -0.636 0.000 1.385 406 S HN 0.358 nan 8.310 nan 0.000 0.490 407 K N 0.941 121.292 120.400 -0.083 0.000 2.211 407 K HA -0.162 4.158 4.320 -0.000 0.000 0.204 407 K C 1.519 178.101 176.600 -0.029 0.000 1.047 407 K CA 1.282 57.561 56.287 -0.013 0.000 0.935 407 K CB -0.304 32.234 32.500 0.064 0.000 0.728 407 K HN 0.834 nan 8.250 nan 0.000 0.452 408 Y N 0.147 120.423 120.300 -0.040 0.000 2.509 408 Y HA 0.090 4.640 4.550 -0.000 0.000 0.293 408 Y C 0.434 176.286 175.900 -0.080 0.000 1.133 408 Y CA 0.080 58.148 58.100 -0.053 0.000 1.283 408 Y CB -0.467 37.958 38.460 -0.059 0.000 1.001 408 Y HN -0.243 nan 8.280 nan 0.000 0.555 409 K N 2.879 122.933 120.400 -0.578 0.000 2.121 409 K HA 0.082 4.402 4.320 -0.000 0.000 0.235 409 K C -0.450 176.047 176.600 -0.173 0.000 1.200 409 K CA 0.188 56.197 56.287 -0.463 0.000 1.115 409 K CB -0.036 31.969 32.500 -0.825 0.000 1.474 409 K HN 0.311 nan 8.250 nan 0.000 0.295 410 K N 1.675 122.005 120.400 -0.115 0.000 2.276 410 K HA 0.121 4.441 4.320 -0.000 0.000 0.283 410 K C -0.367 176.116 176.600 -0.195 0.000 1.044 410 K CA -0.381 55.832 56.287 -0.123 0.000 0.944 410 K CB 0.547 32.995 32.500 -0.088 0.000 1.012 410 K HN 0.222 nan 8.250 nan 0.000 0.472 411 F N 3.544 123.183 119.950 -0.519 0.000 2.427 411 F HA 0.180 4.707 4.527 -0.000 0.000 0.352 411 F C -0.343 175.080 175.800 -0.628 0.000 1.100 411 F CA -0.525 57.090 58.000 -0.641 0.000 1.191 411 F CB 0.760 39.225 39.000 -0.891 0.000 1.128 411 F HN 0.087 nan 8.300 nan 0.000 0.533 412 V N 5.644 125.299 119.914 -0.431 0.000 2.448 412 V HA 0.730 4.850 4.120 -0.000 0.000 0.295 412 V C -0.354 175.740 176.094 0.001 0.000 1.025 412 V CA -0.746 61.465 62.300 -0.148 0.000 0.859 412 V CB 1.236 32.971 31.823 -0.146 0.000 0.988 412 V HN 0.904 nan 8.190 nan 0.000 0.431 413 A N 5.211 128.166 122.820 0.224 0.000 2.343 413 A HA 0.852 5.172 4.320 -0.000 0.000 0.308 413 A C -0.546 177.132 177.584 0.158 0.000 1.092 413 A CA -0.733 51.456 52.037 0.255 0.000 0.751 413 A CB 1.108 20.345 19.000 0.394 0.000 1.203 413 A HN 0.779 nan 8.150 nan 0.000 0.452 414 K N 2.148 122.614 120.400 0.111 0.000 2.443 414 K HA 0.656 4.976 4.320 -0.000 0.000 0.252 414 K C -1.465 175.155 176.600 0.034 0.000 0.933 414 K CA -0.287 56.060 56.287 0.099 0.000 0.792 414 K CB 2.397 34.983 32.500 0.144 0.000 1.185 414 K HN 0.672 nan 8.250 nan 0.000 0.425 415 I N 2.399 122.975 120.570 0.010 0.000 2.474 415 I HA 0.377 4.547 4.170 -0.000 0.000 0.294 415 I C -0.682 175.455 176.117 0.034 0.000 1.005 415 I CA -1.275 59.969 61.300 -0.094 0.000 1.113 415 I CB 2.078 39.906 38.000 -0.287 0.000 1.289 415 I HN 0.164 nan 8.210 nan 0.000 0.436 416 V N 4.303 124.215 119.914 -0.003 0.000 2.448 416 V HA 0.549 4.669 4.120 -0.000 0.000 0.295 416 V C 0.042 176.137 176.094 0.001 0.000 1.025 416 V CA -0.362 61.966 62.300 0.047 0.000 0.859 416 V CB 1.967 33.836 31.823 0.077 0.000 0.988 416 V HN 0.909 nan 8.190 nan 0.000 0.431 417 T N 0.633 115.217 114.554 0.050 0.000 2.916 417 T HA 0.449 4.799 4.350 -0.000 0.000 0.292 417 T C -0.366 174.305 174.700 -0.049 0.000 1.055 417 T CA -0.864 61.236 62.100 0.000 0.000 1.009 417 T CB 1.745 70.681 68.868 0.113 0.000 1.118 417 T HN 0.436 nan 8.240 nan 0.000 0.497 418 N N 0.439 119.019 118.700 -0.200 0.000 2.416 418 N HA 0.047 4.787 4.740 -0.000 0.000 0.265 418 N C 0.643 176.181 175.510 0.045 0.000 1.195 418 N CA 0.072 52.996 53.050 -0.210 0.000 0.943 418 N CB 0.393 38.623 38.487 -0.428 0.000 1.115 418 N HN 0.888 nan 8.380 nan 0.000 0.481 419 H N 2.244 121.356 119.070 0.069 0.000 2.521 419 H HA 0.069 4.625 4.556 -0.000 0.000 0.286 419 H C 1.319 176.713 175.328 0.109 0.000 1.034 419 H CA 1.569 57.700 56.048 0.138 0.000 1.278 419 H CB 0.520 30.419 29.762 0.228 0.000 1.386 419 H HN 0.522 nan 8.280 nan 0.000 0.567 420 S N -0.126 115.615 115.700 0.068 0.000 2.382 420 S HA -0.126 4.344 4.470 -0.000 0.000 0.228 420 S C 1.185 175.767 174.600 -0.030 0.000 1.027 420 S CA 1.455 59.663 58.200 0.013 0.000 0.991 420 S CB -0.034 63.214 63.200 0.081 0.000 0.823 420 S HN 0.831 nan 8.310 nan 0.000 0.469 421 D N -1.476 118.913 120.400 -0.018 0.000 2.500 421 D HA 0.288 4.928 4.640 -0.000 0.000 0.217 421 D C 1.088 177.368 176.300 -0.034 0.000 1.159 421 D CA 0.600 54.585 54.000 -0.026 0.000 0.828 421 D CB -0.380 40.419 40.800 -0.002 0.000 1.039 421 D HN 0.310 nan 8.370 nan 0.000 0.512 422 G N 0.264 109.047 108.800 -0.028 0.000 2.189 422 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.267 422 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.267 422 G C 0.509 175.391 174.900 -0.030 0.000 0.975 422 G CA 0.523 45.623 45.100 -0.001 0.000 0.644 422 G HN 0.447 nan 8.290 nan 0.000 0.537 423 T N 1.113 115.639 114.554 -0.047 0.000 2.866 423 T HA 0.330 4.680 4.350 -0.000 0.000 0.293 423 T C 0.846 175.498 174.700 -0.080 0.000 1.005 423 T CA 0.334 62.398 62.100 -0.059 0.000 1.162 423 T CB 1.601 70.426 68.868 -0.072 0.000 0.968 423 T HN 0.447 nan 8.240 nan 0.000 0.530 424 V N 5.948 125.830 119.914 -0.052 0.000 2.530 424 V HA 0.172 4.292 4.120 -0.000 0.000 0.282 424 V C 1.168 177.212 176.094 -0.084 0.000 1.048 424 V CA -0.037 62.212 62.300 -0.084 0.000 0.997 424 V CB 1.119 32.894 31.823 -0.079 0.000 0.987 424 V HN 0.818 nan 8.190 nan 0.000 0.477 425 L N 3.657 124.817 121.223 -0.105 0.000 2.537 425 L HA 0.517 4.857 4.340 -0.000 0.000 0.224 425 L C 0.967 177.812 176.870 -0.041 0.000 1.065 425 L CA 0.594 55.386 54.840 -0.081 0.000 0.860 425 L CB 0.359 42.339 42.059 -0.132 0.000 1.086 425 L HN 0.787 nan 8.230 nan 0.000 0.482 426 G N -0.350 108.404 108.800 -0.077 0.000 2.732 426 G HA2 0.533 4.493 3.960 -0.000 0.000 0.296 426 G HA3 0.533 4.493 3.960 -0.000 0.000 0.296 426 G C -1.927 172.767 174.900 -0.343 0.000 1.448 426 G CA -0.300 44.712 45.100 -0.146 0.000 0.911 426 G HN -0.281 nan 8.290 nan 0.000 0.528 427 V N 2.398 121.968 119.914 -0.572 0.000 2.656 427 V HA 0.653 4.773 4.120 -0.000 0.000 0.307 427 V C -0.983 174.620 176.094 -0.820 0.000 1.051 427 V CA -0.899 61.080 62.300 -0.537 0.000 0.893 427 V CB 1.964 33.606 31.823 -0.300 0.000 0.999 427 V HN 0.811 nan 8.190 nan 0.000 0.426 428 H N 5.122 124.186 119.070 -0.011 0.000 2.667 428 H HA 0.674 5.230 4.556 -0.000 0.000 0.353 428 H C -1.239 174.082 175.328 -0.013 0.000 1.072 428 H CA -0.527 55.523 56.048 0.002 0.000 1.214 428 H CB 2.265 32.034 29.762 0.012 0.000 1.600 428 H HN 0.415 nan 8.280 nan 0.000 0.527 429 L N 3.303 124.551 121.223 0.042 0.000 2.401 429 L HA 0.436 4.776 4.340 -0.000 0.000 0.266 429 L C -0.964 175.754 176.870 -0.253 0.000 0.991 429 L CA -0.980 53.805 54.840 -0.092 0.000 0.818 429 L CB 2.743 44.794 42.059 -0.013 0.000 1.321 429 L HN 0.237 nan 8.230 nan 0.000 0.413 430 L N 2.225 123.136 121.223 -0.520 0.000 2.409 430 L HA 1.004 5.344 4.340 -0.000 0.000 0.272 430 L C -0.201 176.101 176.870 -0.947 0.000 0.980 430 L CA 0.342 54.855 54.840 -0.546 0.000 0.826 430 L CB 1.739 43.582 42.059 -0.360 0.000 1.268 430 L HN 0.763 nan 8.230 nan 0.000 0.407 431 G N 2.758 111.187 108.800 -0.619 0.000 2.351 431 G HA2 0.053 4.013 3.960 -0.000 0.000 0.353 431 G HA3 0.053 4.013 3.960 -0.000 0.000 0.353 431 G C -1.755 173.105 174.900 -0.066 0.000 1.358 431 G CA -0.964 43.906 45.100 -0.385 0.000 0.995 431 G HN 0.579 nan 8.290 nan 0.000 0.611 432 D N 0.242 120.724 120.400 0.136 0.000 2.488 432 D HA 0.431 5.071 4.640 -0.000 0.000 0.238 432 D C 1.510 177.967 176.300 0.261 0.000 1.138 432 D CA 2.174 56.274 54.000 0.166 0.000 0.873 432 D CB 0.992 41.894 40.800 0.171 0.000 1.183 432 D HN 1.904 nan 8.370 nan 0.000 0.458 433 G N 1.647 110.555 108.800 0.181 0.000 2.241 433 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.244 433 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.244 433 G C 1.266 176.277 174.900 0.184 0.000 0.998 433 G CA 0.823 46.035 45.100 0.186 0.000 0.621 433 G HN 0.712 nan 8.290 nan 0.000 0.519 434 A N 1.553 124.465 122.820 0.154 0.000 1.903 434 A HA 0.080 4.400 4.320 -0.000 0.000 0.219 434 A C 0.606 178.209 177.584 0.033 0.000 1.191 434 A CA 2.805 54.887 52.037 0.075 0.000 0.638 434 A CB -1.299 17.645 19.000 -0.093 0.000 0.823 434 A HN 0.493 nan 8.150 nan 0.000 0.451 435 P HA -0.119 nan 4.420 nan 0.000 0.218 435 P C 1.241 178.583 177.300 0.071 0.000 1.149 435 P CA 1.183 64.266 63.100 -0.027 0.000 0.817 435 P CB 0.025 31.686 31.700 -0.064 0.000 0.785 436 E N -0.590 119.669 120.200 0.098 0.000 2.076 436 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 436 E C 2.137 178.789 176.600 0.087 0.000 0.979 436 E CA 0.797 57.255 56.400 0.096 0.000 0.807 436 E CB -0.710 29.045 29.700 0.092 0.000 0.761 436 E HN 0.313 nan 8.360 nan 0.000 0.454 437 I N 0.860 121.492 120.570 0.103 0.000 2.264 437 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 437 I C 2.418 178.594 176.117 0.099 0.000 1.111 437 I CA 0.761 62.128 61.300 0.111 0.000 1.382 437 I CB -0.104 37.994 38.000 0.164 0.000 1.060 437 I HN 0.023 nan 8.210 nan 0.000 0.418 438 I N 0.288 120.910 120.570 0.086 0.000 2.876 438 I HA -0.205 3.965 4.170 -0.000 0.000 0.264 438 I C 2.332 178.487 176.117 0.063 0.000 1.204 438 I CA 0.955 62.297 61.300 0.070 0.000 1.485 438 I CB -0.212 37.816 38.000 0.047 0.000 1.103 438 I HN 0.161 nan 8.210 nan 0.000 0.446 439 Q N 1.423 121.260 119.800 0.063 0.000 1.998 439 Q HA -0.261 4.079 4.340 -0.000 0.000 0.209 439 Q C 2.211 178.239 176.000 0.047 0.000 1.002 439 Q CA 2.995 58.831 55.803 0.055 0.000 0.858 439 Q CB -0.703 28.068 28.738 0.055 0.000 0.932 439 Q HN 0.539 nan 8.270 nan 0.000 0.416 440 A N -0.700 122.147 122.820 0.045 0.000 2.015 440 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 440 A C 2.280 179.890 177.584 0.042 0.000 1.163 440 A CA 1.327 53.382 52.037 0.030 0.000 0.646 440 A CB -0.636 18.374 19.000 0.016 0.000 0.806 440 A HN 0.300 nan 8.150 nan 0.000 0.448 441 V N 0.080 120.043 119.914 0.082 0.000 2.392 441 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 441 V C 2.814 178.961 176.094 0.088 0.000 1.059 441 V CA 1.920 64.300 62.300 0.133 0.000 1.051 441 V CB -1.488 30.421 31.823 0.144 0.000 0.658 441 V HN 0.610 nan 8.190 nan 0.000 0.455 442 G N -0.051 108.781 108.800 0.054 0.000 2.469 442 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 442 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 442 G C 1.623 176.539 174.900 0.028 0.000 1.136 442 G CA 1.403 46.525 45.100 0.037 0.000 0.759 442 G HN 0.431 nan 8.290 nan 0.000 0.562 443 V N 0.429 120.356 119.914 0.022 0.000 2.358 443 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 443 V C 3.028 179.121 176.094 -0.002 0.000 1.047 443 V CA 1.690 63.993 62.300 0.005 0.000 1.035 443 V CB -0.746 31.074 31.823 -0.006 0.000 0.658 443 V HN 0.505 nan 8.190 nan 0.000 0.452 444 C N -0.163 119.139 119.300 0.002 0.000 2.425 444 C HA -0.108 4.352 4.460 -0.000 0.000 0.277 444 C C 2.512 177.519 174.990 0.028 0.000 1.280 444 C CA 0.484 59.493 59.018 -0.015 0.000 1.744 444 C CB -1.162 26.567 27.740 -0.018 0.000 1.989 444 C HN 0.460 nan 8.230 nan 0.000 0.491 445 L N 0.706 121.960 121.223 0.052 0.000 2.376 445 L HA 0.001 4.341 4.340 -0.000 0.000 0.219 445 L C 2.493 179.376 176.870 0.022 0.000 1.133 445 L CA 1.483 56.348 54.840 0.042 0.000 0.816 445 L CB -0.808 41.273 42.059 0.036 0.000 0.933 445 L HN 0.315 nan 8.230 nan 0.000 0.449 446 R N -0.767 119.740 120.500 0.012 0.000 2.276 446 R HA 0.079 4.419 4.340 -0.000 0.000 0.203 446 R C 0.905 177.204 176.300 -0.000 0.000 1.017 446 R CA 0.542 56.645 56.100 0.006 0.000 1.010 446 R CB -0.033 30.268 30.300 0.001 0.000 0.900 446 R HN 0.319 nan 8.270 nan 0.000 0.469 447 L N 0.693 121.912 121.223 -0.006 0.000 2.965 447 L HA 0.163 4.503 4.340 -0.000 0.000 0.254 447 L C 0.349 177.209 176.870 -0.016 0.000 1.220 447 L CA -0.190 54.640 54.840 -0.017 0.000 1.023 447 L CB -0.115 41.923 42.059 -0.035 0.000 1.355 447 L HN 0.277 nan 8.230 nan 0.000 0.545 448 N N 1.335 120.034 118.700 -0.002 0.000 2.725 448 N HA -0.191 4.549 4.740 -0.000 0.000 0.249 448 N C 0.344 175.850 175.510 -0.007 0.000 1.103 448 N CA 0.291 53.341 53.050 -0.001 0.000 0.707 448 N CB -0.084 38.401 38.487 -0.002 0.000 1.043 448 N HN 0.433 nan 8.380 nan 0.000 0.553 449 A N 0.921 123.743 122.820 0.003 0.000 2.565 449 A HA 0.144 4.463 4.320 -0.000 0.000 0.237 449 A C 0.445 178.052 177.584 0.037 0.000 1.053 449 A CA 0.650 52.695 52.037 0.014 0.000 0.755 449 A CB 0.340 19.380 19.000 0.067 0.000 0.980 449 A HN 0.447 nan 8.150 nan 0.000 0.506 450 K N 1.356 121.757 120.400 0.002 0.000 2.258 450 K HA 0.416 4.736 4.320 -0.000 0.000 0.236 450 K C 1.004 177.592 176.600 -0.020 0.000 1.008 450 K CA -0.858 55.413 56.287 -0.025 0.000 0.869 450 K CB 1.291 33.750 32.500 -0.069 0.000 1.171 450 K HN 0.526 nan 8.250 nan 0.000 0.447 451 I N 1.453 121.955 120.570 -0.113 0.000 2.264 451 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 451 I C 1.882 177.729 176.117 -0.450 0.000 1.111 451 I CA 1.973 63.136 61.300 -0.228 0.000 1.382 451 I CB -0.191 37.603 38.000 -0.343 0.000 1.060 451 I HN 0.733 nan 8.210 nan 0.000 0.418 452 S N -0.792 114.520 115.700 -0.648 0.000 2.453 452 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 452 S C 1.709 175.904 174.600 -0.675 0.000 1.005 452 S CA 0.892 58.303 58.200 -1.315 0.000 0.949 452 S CB -0.656 62.088 63.200 -0.761 0.000 0.774 452 S HN 0.494 nan 8.310 nan 0.000 0.510 453 D N 1.155 121.354 120.400 -0.335 0.000 2.144 453 D HA -0.014 4.626 4.640 -0.000 0.000 0.200 453 D C 1.425 177.560 176.300 -0.276 0.000 0.978 453 D CA 0.999 54.844 54.000 -0.257 0.000 0.833 453 D CB -0.329 40.336 40.800 -0.224 0.000 0.961 453 D HN 0.463 nan 8.370 nan 0.000 0.470 454 F N 0.731 120.532 119.950 -0.248 0.000 2.084 454 F HA -0.198 4.329 4.527 -0.000 0.000 0.296 454 F C 2.465 178.210 175.800 -0.092 0.000 1.111 454 F CA 0.988 58.896 58.000 -0.154 0.000 1.224 454 F CB -0.840 38.078 39.000 -0.137 0.000 0.991 454 F HN 0.043 nan 8.300 nan 0.000 0.471 455 Y N -0.872 119.492 120.300 0.106 0.000 2.439 455 Y HA 0.021 4.570 4.550 -0.000 0.000 0.292 455 Y C 1.535 177.445 175.900 0.016 0.000 1.130 455 Y CA 0.549 58.676 58.100 0.044 0.000 1.254 455 Y CB -1.637 36.834 38.460 0.018 0.000 1.000 455 Y HN -0.023 nan 8.280 nan 0.000 0.554 456 N N 0.046 118.797 118.700 0.084 0.000 2.467 456 N HA -0.010 4.730 4.740 -0.000 0.000 0.184 456 N C -0.133 175.387 175.510 0.017 0.000 1.106 456 N CA 0.698 53.799 53.050 0.084 0.000 0.892 456 N CB -0.176 38.318 38.487 0.011 0.000 0.969 456 N HN 0.290 nan 8.380 nan 0.000 0.454 457 T N 1.499 116.045 114.554 -0.014 0.000 2.869 457 T HA 0.304 4.654 4.350 -0.000 0.000 0.295 457 T C 0.840 175.540 174.700 -0.000 0.000 0.987 457 T CA -0.298 61.779 62.100 -0.038 0.000 1.109 457 T CB 1.167 69.978 68.868 -0.095 0.000 0.932 457 T HN -0.036 nan 8.240 nan 0.000 0.518 458 I N 2.732 123.297 120.570 -0.008 0.000 2.496 458 I HA 0.246 4.416 4.170 -0.000 0.000 0.285 458 I C 1.489 177.607 176.117 0.001 0.000 1.080 458 I CA -0.270 61.030 61.300 -0.001 0.000 1.404 458 I CB 0.541 38.537 38.000 -0.006 0.000 1.403 458 I HN 0.677 nan 8.210 nan 0.000 0.539 459 G N 5.650 114.454 108.800 0.005 0.000 2.474 459 G HA2 0.230 4.190 3.960 -0.000 0.000 0.233 459 G HA3 0.230 4.190 3.960 -0.000 0.000 0.233 459 G C -0.266 174.646 174.900 0.020 0.000 1.278 459 G CA -0.414 44.693 45.100 0.011 0.000 0.861 459 G HN 0.406 nan 8.290 nan 0.000 0.567 460 V N 2.706 122.635 119.914 0.025 0.000 2.370 460 V HA 0.329 4.449 4.120 -0.000 0.000 0.279 460 V C -0.090 176.044 176.094 0.067 0.000 1.029 460 V CA -0.523 61.796 62.300 0.032 0.000 0.870 460 V CB 1.063 32.892 31.823 0.009 0.000 0.984 460 V HN 0.897 nan 8.190 nan 0.000 0.451 461 H N 5.736 124.782 119.070 -0.039 0.000 2.572 461 H HA 0.741 5.297 4.556 -0.000 0.000 0.359 461 H C -2.600 172.705 175.328 -0.039 0.000 1.134 461 H CA -1.831 54.188 56.048 -0.048 0.000 1.187 461 H CB 2.104 31.838 29.762 -0.046 0.000 1.597 461 H HN 0.526 nan 8.280 nan 0.000 0.524 462 P HA 0.317 nan 4.420 nan 0.000 0.293 462 P C -1.235 175.934 177.300 -0.219 0.000 1.300 462 P CA -0.612 62.143 63.100 -0.575 0.000 0.792 462 P CB 1.428 32.750 31.700 -0.631 0.000 0.925 463 T N -2.148 112.325 114.554 -0.135 0.000 2.865 463 T HA 0.354 4.704 4.350 -0.000 0.000 0.294 463 T C 0.884 175.492 174.700 -0.154 0.000 1.119 463 T CA -0.604 61.430 62.100 -0.111 0.000 1.007 463 T CB 1.221 70.045 68.868 -0.072 0.000 1.225 463 T HN 0.004 nan 8.240 nan 0.000 0.515 464 S N 0.413 115.997 115.700 -0.193 0.000 2.368 464 S HA -0.004 4.465 4.470 -0.000 0.000 0.224 464 S C 2.492 176.897 174.600 -0.325 0.000 1.029 464 S CA 1.117 59.090 58.200 -0.378 0.000 0.988 464 S CB -0.900 61.772 63.200 -0.879 0.000 0.838 464 S HN 0.918 nan 8.310 nan 0.000 0.462 465 A N 2.294 125.009 122.820 -0.175 0.000 1.978 465 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 465 A C 1.989 179.566 177.584 -0.011 0.000 1.170 465 A CA 1.786 53.799 52.037 -0.040 0.000 0.636 465 A CB -0.751 18.259 19.000 0.016 0.000 0.810 465 A HN 0.780 nan 8.150 nan 0.000 0.448 466 E N -0.504 119.669 120.200 -0.044 0.000 2.267 466 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 466 E C 1.275 177.858 176.600 -0.028 0.000 0.998 466 E CA 1.112 57.500 56.400 -0.019 0.000 0.830 466 E CB -0.304 29.387 29.700 -0.016 0.000 0.751 466 E HN 0.523 nan 8.360 nan 0.000 0.491 467 E N 1.091 121.244 120.200 -0.078 0.000 2.209 467 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 467 E C 2.110 178.747 176.600 0.062 0.000 0.993 467 E CA 0.635 57.008 56.400 -0.046 0.000 0.819 467 E CB -0.179 29.501 29.700 -0.033 0.000 0.745 467 E HN 0.454 nan 8.360 nan 0.000 0.477 468 L N -0.547 120.731 121.223 0.093 0.000 2.353 468 L HA -0.154 4.186 4.340 -0.000 0.000 0.220 468 L C 1.524 178.484 176.870 0.150 0.000 1.133 468 L CA 0.557 55.460 54.840 0.105 0.000 0.798 468 L CB 0.063 42.218 42.059 0.161 0.000 0.922 468 L HN 0.122 nan 8.230 nan 0.000 0.445 469 C N -1.843 117.542 119.300 0.141 0.000 2.994 469 C HA 0.218 4.678 4.460 -0.000 0.000 0.284 469 C C 1.736 176.800 174.990 0.123 0.000 1.404 469 C CA -0.303 58.813 59.018 0.164 0.000 1.775 469 C CB -0.363 27.449 27.740 0.120 0.000 2.458 469 C HN 0.286 nan 8.230 nan 0.000 0.593 470 S N 0.306 116.058 115.700 0.085 0.000 2.701 470 S HA 0.334 4.804 4.470 -0.000 0.000 0.242 470 S C 0.212 174.845 174.600 0.055 0.000 1.025 470 S CA -0.017 58.211 58.200 0.046 0.000 1.016 470 S CB 0.027 63.221 63.200 -0.011 0.000 0.977 470 S HN 0.530 nan 8.310 nan 0.000 0.546 471 M N 1.373 121.032 119.600 0.098 0.000 2.101 471 M HA 0.440 4.920 4.480 -0.000 0.000 0.340 471 M C 0.860 177.256 176.300 0.161 0.000 1.057 471 M CA -0.196 55.179 55.300 0.126 0.000 0.984 471 M CB 1.832 34.518 32.600 0.144 0.000 1.560 471 M HN 0.038 nan 8.290 nan 0.000 0.435 472 R N 0.674 121.232 120.500 0.097 0.000 2.310 472 R HA 0.222 4.562 4.340 -0.000 0.000 0.199 472 R C -0.284 176.112 176.300 0.161 0.000 0.891 472 R CA 0.676 56.699 56.100 -0.128 0.000 1.060 472 R CB 0.971 31.068 30.300 -0.338 0.000 1.188 472 R HN 0.577 nan 8.270 nan 0.000 0.607 473 T N 2.839 117.496 114.554 0.172 0.000 2.792 473 T HA 0.422 4.771 4.350 -0.000 0.000 0.280 473 T C -2.693 171.898 174.700 -0.183 0.000 0.990 473 T CA -1.504 60.628 62.100 0.054 0.000 0.960 473 T CB 2.076 70.943 68.868 -0.002 0.000 0.939 473 T HN -0.043 nan 8.240 nan 0.000 0.439 474 P HA 0.204 nan 4.420 nan 0.000 0.267 474 P C 0.382 177.306 177.300 -0.627 0.000 1.200 474 P CA -0.098 62.339 63.100 -1.104 0.000 0.772 474 P CB 0.562 31.410 31.700 -1.421 0.000 0.855 475 S N 0.641 115.992 115.700 -0.581 0.000 2.406 475 S HA 0.071 4.541 4.470 -0.000 0.000 0.224 475 S C 0.253 174.746 174.600 -0.178 0.000 1.030 475 S CA 0.854 58.894 58.200 -0.267 0.000 0.958 475 S CB -0.517 62.614 63.200 -0.115 0.000 0.811 475 S HN 0.687 nan 8.310 nan 0.000 0.489 476 Y N -2.113 117.900 120.300 -0.479 0.000 2.788 476 Y HA 0.713 5.263 4.550 -0.000 0.000 0.335 476 Y C -1.565 173.926 175.900 -0.682 0.000 1.287 476 Y CA -2.221 55.623 58.100 -0.425 0.000 1.068 476 Y CB 0.535 38.850 38.460 -0.241 0.000 1.340 476 Y HN -0.064 nan 8.280 nan 0.000 0.449 477 Y N -0.943 119.330 120.300 -0.046 0.000 2.638 477 Y HA 0.668 5.218 4.550 -0.000 0.000 0.339 477 Y C -1.542 174.270 175.900 -0.147 0.000 1.084 477 Y CA -1.537 56.504 58.100 -0.099 0.000 1.068 477 Y CB 2.154 40.533 38.460 -0.135 0.000 1.294 477 Y HN 0.567 nan 8.280 nan 0.000 0.480 478 Y N 0.425 120.871 120.300 0.242 0.000 2.350 478 Y HA 0.628 5.178 4.550 -0.000 0.000 0.338 478 Y C -0.816 175.176 175.900 0.154 0.000 0.961 478 Y CA -1.101 57.107 58.100 0.181 0.000 1.100 478 Y CB 1.834 40.388 38.460 0.155 0.000 1.179 478 Y HN 0.189 nan 8.280 nan 0.000 0.454 479 V N 4.334 124.382 119.914 0.222 0.000 2.407 479 V HA 0.270 4.390 4.120 -0.000 0.000 0.291 479 V C 0.029 176.209 176.094 0.143 0.000 1.018 479 V CA -1.475 60.917 62.300 0.153 0.000 0.842 479 V CB 1.336 33.201 31.823 0.070 0.000 0.996 479 V HN 0.855 nan 8.190 nan 0.000 0.426 480 K N 3.625 124.110 120.400 0.141 0.000 3.209 480 K HA -0.248 4.072 4.320 -0.000 0.000 0.289 480 K C 1.089 177.762 176.600 0.121 0.000 1.191 480 K CA 0.830 57.182 56.287 0.109 0.000 0.851 480 K CB -1.316 31.230 32.500 0.076 0.000 1.242 480 K HN 1.535 nan 8.250 nan 0.000 0.480 481 G N 0.327 109.234 108.800 0.178 0.000 2.194 481 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.236 481 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.236 481 G C -0.263 174.803 174.900 0.276 0.000 0.987 481 G CA 0.339 45.556 45.100 0.195 0.000 0.635 481 G HN 0.432 nan 8.290 nan 0.000 0.520 482 E N 0.858 121.193 120.200 0.225 0.000 2.156 482 E HA 0.470 4.820 4.350 -0.000 0.000 0.279 482 E C 0.123 176.757 176.600 0.058 0.000 0.965 482 E CA -0.781 55.708 56.400 0.148 0.000 0.789 482 E CB 0.589 30.334 29.700 0.076 0.000 1.098 482 E HN 0.243 nan 8.360 nan 0.000 0.397 483 K N 6.033 126.391 120.400 -0.071 0.000 2.379 483 K HA 0.187 4.507 4.320 -0.000 0.000 0.284 483 K C -0.493 175.974 176.600 -0.220 0.000 1.044 483 K CA 0.035 56.066 56.287 -0.428 0.000 0.974 483 K CB 0.342 32.581 32.500 -0.435 0.000 0.962 483 K HN 0.552 nan 8.250 nan 0.000 0.474 484 M N 2.057 121.559 119.600 -0.163 0.000 2.413 484 M HA 0.256 4.736 4.480 -0.000 0.000 0.287 484 M C 0.025 176.351 176.300 0.044 0.000 1.186 484 M CA -0.852 54.416 55.300 -0.052 0.000 0.927 484 M CB 1.902 34.492 32.600 -0.017 0.000 1.715 484 M HN 0.474 nan 8.290 nan 0.000 0.478 485 E N 1.449 121.664 120.200 0.025 0.000 2.097 485 E HA -0.050 4.300 4.350 -0.000 0.000 0.196 485 E C -0.004 176.701 176.600 0.175 0.000 1.000 485 E CA 1.502 57.950 56.400 0.080 0.000 0.804 485 E CB 0.345 30.061 29.700 0.026 0.000 0.740 485 E HN 0.436 nan 8.360 nan 0.000 0.454 486 K N 0.251 120.719 120.400 0.114 0.000 2.385 486 K HA 0.374 4.694 4.320 -0.000 0.000 0.248 486 K C -0.366 176.162 176.600 -0.121 0.000 0.955 486 K CA -0.648 55.675 56.287 0.059 0.000 0.816 486 K CB 1.936 34.443 32.500 0.012 0.000 1.250 486 K HN -0.044 nan 8.250 nan 0.000 0.434 487 L N 3.541 124.530 121.223 -0.390 0.000 2.456 487 L HA 0.062 4.402 4.340 -0.000 0.000 0.272 487 L C -0.768 175.994 176.870 -0.181 0.000 1.189 487 L CA -1.017 53.568 54.840 -0.425 0.000 0.846 487 L CB 0.210 41.939 42.059 -0.549 0.000 1.111 487 L HN 0.486 nan 8.230 nan 0.000 0.475 488 P HA 0.043 nan 4.420 nan 0.000 0.218 488 P C -0.289 176.979 177.300 -0.054 0.000 1.152 488 P CA 0.822 63.882 63.100 -0.067 0.000 0.826 488 P CB 0.374 32.048 31.700 -0.044 0.000 0.790 489 D N -2.028 118.338 120.400 -0.058 0.000 2.581 489 D HA 0.198 4.838 4.640 -0.000 0.000 0.232 489 D C 0.623 176.903 176.300 -0.034 0.000 1.143 489 D CA -0.424 53.556 54.000 -0.034 0.000 0.881 489 D CB 1.526 42.313 40.800 -0.021 0.000 1.500 489 D HN -0.239 nan 8.370 nan 0.000 0.458 490 S N -0.085 115.605 115.700 -0.016 0.000 2.603 490 S HA 0.239 4.709 4.470 -0.000 0.000 0.229 490 S C 0.925 175.528 174.600 0.005 0.000 0.972 490 S CA 0.776 58.973 58.200 -0.005 0.000 0.935 490 S CB -1.301 61.901 63.200 0.002 0.000 0.769 490 S HN 0.862 nan 8.310 nan 0.000 0.536 491 N N 0.000 118.702 118.700 0.004 0.000 1.763 491 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 491 N CA 0.000 53.059 53.050 0.014 0.000 0.885 491 N CB 0.000 38.501 38.487 0.024 0.000 1.341 491 N HN 0.000 nan 8.380 nan 0.000 0.667