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 2vgb_1_C DATA FIRST_RESID 57 DATA SEQUENCE QQQQLPAAMA DTFLEHLCLL DIDSEPVAAR STSIIATIGP ASRSVERLKE DATA SEQUENCE MIKAGMNIAR LNFSHGSHEY HAESIANVRE AVESFAGSPL SYRPVAIALD DATA SEQUENCE TKGPEIRTGI LQGGPESEVE LVKGSQVLVT VDPAFRTRGN ANTVWVDYPN DATA SEQUENCE IVRVVPVGGR IYIDDGLISL VVQKIGPEGL VTQVENGGVL GSRKGVNLPG DATA SEQUENCE AQVDLPGLSE QDVRDLRFGV EHGVDIVFAS FVRKASDVAA VRAALGPEGH DATA SEQUENCE GIKIISKIEN HEGVKRFDEI LEVSDGIMVA RGDLGIEIPA EKVFLAQKMM DATA SEQUENCE IGRCNLAGKP VVCATQMLES MITKPRPTRA ETSDVANAVL DGADCIMLSG DATA SEQUENCE ETAKGNFPVE AVKMQHAIAR EAEAAVYHRQ LFEELRRAAP LSRDPTEVTA DATA SEQUENCE IGAVEAAFKC CAAAIIVLTT TGRSAQLLSR YRPRAAVIAV TRSAQAARQV DATA SEQUENCE HLCRGVFPLL YREPPEAIWA DDVDRRVQFG IESGKLRGFL RVGDLVIVVT DATA SEQUENCE GWRPGSGYTN IMRVLSI 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 57 Q HA 0.000 nan 4.340 nan 0.000 0.214 57 Q C 0.000 176.012 176.000 0.020 0.000 1.003 57 Q CA 0.000 55.815 55.803 0.019 0.000 1.022 57 Q CB 0.000 28.754 28.738 0.027 0.000 1.108 58 Q N 0.101 119.917 119.800 0.026 0.000 2.486 58 Q HA 0.533 4.872 4.340 -0.001 0.000 0.274 58 Q C -0.609 175.414 176.000 0.039 0.000 1.076 58 Q CA -0.633 55.186 55.803 0.027 0.000 0.872 58 Q CB 1.240 29.991 28.738 0.023 0.000 1.383 58 Q HN 0.520 nan 8.270 nan 0.000 0.478 59 Q N 0.246 120.071 119.800 0.042 0.000 2.468 59 Q HA -0.289 4.051 4.340 -0.001 0.000 0.256 59 Q C -0.857 175.194 176.000 0.084 0.000 0.984 59 Q CA 0.507 56.347 55.803 0.061 0.000 1.110 59 Q CB -1.136 27.640 28.738 0.064 0.000 1.527 59 Q HN 0.575 nan 8.270 nan 0.000 0.535 60 Q N -1.781 118.057 119.800 0.063 0.000 2.452 60 Q HA -0.233 4.106 4.340 -0.001 0.000 0.318 60 Q C 0.509 176.573 176.000 0.106 0.000 1.386 60 Q CA 1.030 56.873 55.803 0.066 0.000 0.872 60 Q CB -1.230 27.552 28.738 0.072 0.000 1.151 60 Q HN 0.386 nan 8.270 nan 0.000 0.417 61 L N 0.449 121.725 121.223 0.089 0.000 2.068 61 L HA 0.003 4.343 4.340 -0.001 0.000 0.204 61 L C -0.446 176.485 176.870 0.101 0.000 1.076 61 L CA 1.750 56.653 54.840 0.105 0.000 0.753 61 L CB -1.441 40.666 42.059 0.081 0.000 0.910 61 L HN 0.197 nan 8.230 nan 0.000 0.439 62 P HA -0.201 nan 4.420 nan 0.000 0.216 62 P C 1.534 178.880 177.300 0.077 0.000 1.154 62 P CA 2.049 65.182 63.100 0.056 0.000 0.865 62 P CB -0.040 31.674 31.700 0.023 0.000 0.789 63 A N -0.327 122.538 122.820 0.075 0.000 1.969 63 A HA -0.049 4.271 4.320 -0.001 0.000 0.218 63 A C 2.299 180.096 177.584 0.355 0.000 1.169 63 A CA 1.846 53.944 52.037 0.102 0.000 0.635 63 A CB -1.482 17.478 19.000 -0.066 0.000 0.810 63 A HN 0.203 nan 8.150 nan 0.000 0.445 64 A N -0.832 122.174 122.820 0.310 0.000 1.969 64 A HA -0.038 4.281 4.320 -0.001 0.000 0.218 64 A C 1.909 179.664 177.584 0.285 0.000 1.169 64 A CA 1.601 53.843 52.037 0.342 0.000 0.635 64 A CB -0.384 18.786 19.000 0.283 0.000 0.810 64 A HN 0.426 nan 8.150 nan 0.000 0.445 65 M N -0.003 119.724 119.600 0.212 0.000 2.618 65 M HA 0.226 4.705 4.480 -0.001 0.000 0.240 65 M C 1.000 177.406 176.300 0.176 0.000 1.123 65 M CA 0.010 55.407 55.300 0.161 0.000 1.060 65 M CB -1.532 31.133 32.600 0.109 0.000 1.535 65 M HN 0.373 nan 8.290 nan 0.000 0.507 66 A N 1.059 124.023 122.820 0.240 0.000 2.445 66 A HA 0.077 4.396 4.320 -0.001 0.000 0.242 66 A C 0.863 178.599 177.584 0.253 0.000 1.075 66 A CA -0.052 52.098 52.037 0.188 0.000 0.777 66 A CB 0.310 19.374 19.000 0.106 0.000 1.013 66 A HN 0.357 nan 8.150 nan 0.000 0.493 67 D N -0.215 120.280 120.400 0.158 0.000 2.348 67 D HA 0.025 4.665 4.640 -0.001 0.000 0.211 67 D C 0.717 177.133 176.300 0.192 0.000 0.998 67 D CA 1.638 55.734 54.000 0.161 0.000 0.873 67 D CB 0.254 41.108 40.800 0.090 0.000 0.925 67 D HN 0.757 nan 8.370 nan 0.000 0.524 68 T N -3.752 110.884 114.554 0.137 0.000 2.865 68 T HA 0.258 4.607 4.350 -0.001 0.000 0.294 68 T C 0.568 175.205 174.700 -0.104 0.000 1.119 68 T CA -0.863 61.302 62.100 0.109 0.000 1.007 68 T CB 1.341 70.246 68.868 0.063 0.000 1.225 68 T HN -0.132 nan 8.240 nan 0.000 0.515 69 F N 0.545 120.368 119.950 -0.212 0.000 2.186 69 F HA 0.046 4.571 4.527 -0.003 0.000 0.299 69 F C 1.924 177.600 175.800 -0.208 0.000 1.090 69 F CA 1.067 58.826 58.000 -0.402 0.000 1.307 69 F CB -0.099 38.819 39.000 -0.138 0.000 1.019 69 F HN 0.514 nan 8.300 nan 0.000 0.489 70 L N 0.926 122.066 121.223 -0.139 0.000 2.017 70 L HA -0.228 4.111 4.340 -0.001 0.000 0.208 70 L C 2.356 179.092 176.870 -0.224 0.000 1.073 70 L CA 2.124 56.853 54.840 -0.184 0.000 0.745 70 L CB -1.028 41.000 42.059 -0.052 0.000 0.894 70 L HN 0.275 nan 8.230 nan 0.000 0.432 71 E N -1.837 118.269 120.200 -0.157 0.000 2.153 71 E HA -0.319 4.030 4.350 -0.001 0.000 0.194 71 E C 2.098 178.590 176.600 -0.180 0.000 0.988 71 E CA 1.202 57.526 56.400 -0.126 0.000 0.811 71 E CB -0.079 29.588 29.700 -0.056 0.000 0.746 71 E HN 0.744 nan 8.360 nan 0.000 0.466 72 H N 0.571 119.399 119.070 -0.403 0.000 2.256 72 H HA -0.115 4.440 4.556 -0.001 0.000 0.299 72 H C 2.126 177.209 175.328 -0.409 0.000 1.071 72 H CA 2.169 57.942 56.048 -0.460 0.000 1.280 72 H CB -0.503 28.739 29.762 -0.865 0.000 1.370 72 H HN 0.090 nan 8.280 nan 0.000 0.490 73 L N -0.330 120.480 121.223 -0.689 0.000 2.034 73 L HA -0.322 4.017 4.340 -0.001 0.000 0.217 73 L C 2.723 179.368 176.870 -0.376 0.000 1.077 73 L CA 1.596 56.088 54.840 -0.580 0.000 0.769 73 L CB -0.885 40.863 42.059 -0.517 0.000 0.890 73 L HN 0.483 nan 8.230 nan 0.000 0.435 74 C N -0.340 118.789 119.300 -0.284 0.000 2.443 74 C HA -0.076 4.384 4.460 -0.001 0.000 0.290 74 C C 2.282 177.171 174.990 -0.168 0.000 1.476 74 C CA 0.580 59.486 59.018 -0.187 0.000 1.772 74 C CB -1.155 26.503 27.740 -0.136 0.000 1.714 74 C HN 0.452 nan 8.230 nan 0.000 0.562 75 L N -0.952 120.141 121.223 -0.215 0.000 2.966 75 L HA 0.264 4.603 4.340 -0.001 0.000 0.262 75 L C 0.415 177.182 176.870 -0.172 0.000 1.165 75 L CA -0.069 54.676 54.840 -0.158 0.000 0.978 75 L CB -0.043 41.946 42.059 -0.116 0.000 1.337 75 L HN 0.184 nan 8.230 nan 0.000 0.563 76 L N 1.549 122.623 121.223 -0.248 0.000 2.540 76 L HA -0.017 4.322 4.340 -0.001 0.000 0.276 76 L C -0.144 176.656 176.870 -0.117 0.000 1.212 76 L CA 0.647 55.366 54.840 -0.202 0.000 0.893 76 L CB 0.112 42.029 42.059 -0.236 0.000 1.138 76 L HN 0.037 nan 8.230 nan 0.000 0.491 77 D N 3.243 123.597 120.400 -0.077 0.000 2.549 77 D HA 0.215 4.854 4.640 -0.001 0.000 0.251 77 D C 0.776 177.055 176.300 -0.035 0.000 1.153 77 D CA -0.572 53.398 54.000 -0.050 0.000 0.861 77 D CB 1.507 42.286 40.800 -0.035 0.000 1.207 77 D HN 0.449 nan 8.370 nan 0.000 0.543 78 I N 0.198 120.748 120.570 -0.034 0.000 2.567 78 I HA -0.046 4.123 4.170 -0.001 0.000 0.257 78 I C 0.538 176.645 176.117 -0.016 0.000 1.184 78 I CA 0.984 62.269 61.300 -0.025 0.000 1.451 78 I CB 0.140 38.125 38.000 -0.025 0.000 1.089 78 I HN 0.030 nan 8.210 nan 0.000 0.441 79 D N 0.913 121.305 120.400 -0.015 0.000 2.328 79 D HA 0.091 4.730 4.640 -0.001 0.000 0.221 79 D C 0.554 176.852 176.300 -0.004 0.000 1.072 79 D CA 0.399 54.394 54.000 -0.008 0.000 0.850 79 D CB 0.381 41.176 40.800 -0.008 0.000 0.922 79 D HN 0.226 nan 8.370 nan 0.000 0.516 80 S N 1.473 117.171 115.700 -0.004 0.000 2.415 80 S HA 0.088 4.557 4.470 -0.001 0.000 0.313 80 S C 0.033 174.638 174.600 0.008 0.000 1.067 80 S CA -0.598 57.605 58.200 0.004 0.000 1.099 80 S CB 0.281 63.484 63.200 0.006 0.000 0.991 80 S HN -0.096 nan 8.310 nan 0.000 0.491 81 E N 4.914 125.120 120.200 0.010 0.000 2.384 81 E HA 0.259 4.608 4.350 -0.001 0.000 0.266 81 E C -2.223 174.387 176.600 0.017 0.000 1.012 81 E CA -2.270 54.136 56.400 0.012 0.000 0.901 81 E CB 0.097 29.805 29.700 0.012 0.000 0.967 81 E HN 0.421 nan 8.360 nan 0.000 0.435 82 P HA 0.103 nan 4.420 nan 0.000 0.272 82 P C -0.466 176.847 177.300 0.022 0.000 1.230 82 P CA -0.216 62.895 63.100 0.019 0.000 0.788 82 P CB 0.649 32.352 31.700 0.006 0.000 0.949 83 V N 0.959 120.888 119.914 0.024 0.000 3.020 83 V HA 0.591 4.711 4.120 -0.001 0.000 0.275 83 V C -0.838 175.267 176.094 0.018 0.000 0.868 83 V CA 0.155 62.470 62.300 0.025 0.000 1.087 83 V CB 0.373 32.209 31.823 0.022 0.000 0.954 83 V HN 0.850 nan 8.190 nan 0.000 0.495 84 A N 2.474 125.307 122.820 0.021 0.000 2.581 84 A HA 0.868 5.187 4.320 -0.001 0.000 0.294 84 A C -0.300 177.281 177.584 -0.004 0.000 1.035 84 A CA 0.043 52.069 52.037 -0.019 0.000 0.684 84 A CB 0.920 19.901 19.000 -0.032 0.000 1.282 84 A HN 1.698 nan 8.150 nan 0.000 0.417 85 A N 1.127 123.871 122.820 -0.126 0.000 2.520 85 A HA 0.524 4.844 4.320 -0.001 0.000 0.235 85 A C 0.743 178.388 177.584 0.102 0.000 1.065 85 A CA 0.610 52.592 52.037 -0.091 0.000 0.764 85 A CB -0.134 18.304 19.000 -0.938 0.000 1.002 85 A HN 1.489 nan 8.150 nan 0.000 0.502 86 R N 1.500 122.145 120.500 0.242 0.000 2.389 86 R HA 0.354 4.693 4.340 -0.001 0.000 0.295 86 R C 0.596 177.086 176.300 0.316 0.000 1.075 86 R CA 0.312 56.532 56.100 0.200 0.000 1.005 86 R CB 0.449 30.783 30.300 0.057 0.000 0.987 86 R HN 0.597 nan 8.270 nan 0.000 0.452 87 S N 1.100 116.911 115.700 0.186 0.000 2.486 87 S HA -0.034 4.435 4.470 -0.001 0.000 0.220 87 S C 0.392 174.953 174.600 -0.066 0.000 1.011 87 S CA -0.110 58.105 58.200 0.023 0.000 0.921 87 S CB 0.043 63.272 63.200 0.049 0.000 0.785 87 S HN 0.672 nan 8.310 nan 0.000 0.517 88 T N 3.884 118.440 114.554 0.003 0.000 2.751 88 T HA 0.323 4.672 4.350 -0.001 0.000 0.290 88 T C 0.028 174.732 174.700 0.006 0.000 0.919 88 T CA -0.102 61.998 62.100 0.000 0.000 1.136 88 T CB 0.507 69.384 68.868 0.016 0.000 0.875 88 T HN 0.238 nan 8.240 nan 0.000 0.532 89 S N 3.253 118.948 115.700 -0.008 0.000 2.580 89 S HA 0.388 4.857 4.470 -0.001 0.000 0.274 89 S C 0.373 174.975 174.600 0.004 0.000 1.329 89 S CA -0.660 57.535 58.200 -0.007 0.000 1.036 89 S CB 0.429 63.631 63.200 0.005 0.000 0.919 89 S HN 0.529 nan 8.310 nan 0.000 0.515 90 I N 2.462 123.027 120.570 -0.009 0.000 2.378 90 I HA 0.404 4.573 4.170 -0.001 0.000 0.291 90 I C -0.544 175.579 176.117 0.010 0.000 0.992 90 I CA -0.380 60.928 61.300 0.013 0.000 1.154 90 I CB 1.149 39.164 38.000 0.025 0.000 1.315 90 I HN 0.445 nan 8.210 nan 0.000 0.448 91 I N 5.677 126.275 120.570 0.047 0.000 2.359 91 I HA 0.580 4.749 4.170 -0.001 0.000 0.294 91 I C 0.111 176.275 176.117 0.079 0.000 0.987 91 I CA -0.367 60.985 61.300 0.087 0.000 1.225 91 I CB 1.626 39.725 38.000 0.166 0.000 1.366 91 I HN 0.583 nan 8.210 nan 0.000 0.466 92 A N 4.380 127.244 122.820 0.074 0.000 2.343 92 A HA 0.698 5.017 4.320 -0.001 0.000 0.316 92 A C -0.253 177.386 177.584 0.092 0.000 1.104 92 A CA -0.511 51.569 52.037 0.072 0.000 0.768 92 A CB 1.022 20.052 19.000 0.050 0.000 1.213 92 A HN 0.643 nan 8.150 nan 0.000 0.456 93 T N 3.531 118.144 114.554 0.099 0.000 2.869 93 T HA 0.379 4.729 4.350 -0.001 0.000 0.295 93 T C 0.298 175.057 174.700 0.099 0.000 0.987 93 T CA -0.082 62.087 62.100 0.115 0.000 1.109 93 T CB 0.282 69.222 68.868 0.121 0.000 0.932 93 T HN 0.395 nan 8.240 nan 0.000 0.518 94 I N 3.184 123.821 120.570 0.112 0.000 2.395 94 I HA 0.562 4.732 4.170 -0.001 0.000 0.289 94 I C 0.940 177.131 176.117 0.124 0.000 1.023 94 I CA 0.095 61.454 61.300 0.099 0.000 1.350 94 I CB 0.534 38.588 38.000 0.090 0.000 1.409 94 I HN 0.832 nan 8.210 nan 0.000 0.507 95 G N 6.758 115.616 108.800 0.096 0.000 2.782 95 G HA2 0.491 4.450 3.960 -0.001 0.000 0.304 95 G HA3 0.491 4.450 3.960 -0.001 0.000 0.304 95 G C -2.524 172.427 174.900 0.085 0.000 1.315 95 G CA -0.444 44.724 45.100 0.114 0.000 0.791 95 G HN 0.260 nan 8.290 nan 0.000 0.519 96 P HA -0.077 nan 4.420 nan 0.000 0.217 96 P C 1.821 179.131 177.300 0.016 0.000 1.148 96 P CA 2.208 65.337 63.100 0.048 0.000 0.828 96 P CB 0.101 31.816 31.700 0.024 0.000 0.783 97 A N -0.556 122.270 122.820 0.010 0.000 2.119 97 A HA 0.006 4.325 4.320 -0.001 0.000 0.217 97 A C 1.534 179.120 177.584 0.002 0.000 1.153 97 A CA 1.483 53.517 52.037 -0.006 0.000 0.692 97 A CB -0.733 18.259 19.000 -0.013 0.000 0.799 97 A HN 0.327 nan 8.150 nan 0.000 0.458 98 S N -2.446 113.263 115.700 0.015 0.000 2.794 98 S HA 0.447 4.917 4.470 -0.001 0.000 0.244 98 S C 0.437 175.044 174.600 0.013 0.000 1.045 98 S CA -0.402 57.810 58.200 0.019 0.000 1.114 98 S CB 0.144 63.363 63.200 0.032 0.000 1.085 98 S HN 0.449 nan 8.310 nan 0.000 0.488 99 R N 1.296 121.794 120.500 -0.002 0.000 2.342 99 R HA 0.246 4.585 4.340 -0.001 0.000 0.204 99 R C 0.549 176.831 176.300 -0.030 0.000 0.882 99 R CA 0.688 56.771 56.100 -0.029 0.000 1.041 99 R CB 0.537 30.803 30.300 -0.057 0.000 1.188 99 R HN 0.523 nan 8.270 nan 0.000 0.598 100 S N 0.154 115.844 115.700 -0.017 0.000 2.533 100 S HA 0.020 4.489 4.470 -0.001 0.000 0.282 100 S C 1.607 176.206 174.600 -0.002 0.000 1.304 100 S CA -0.562 57.630 58.200 -0.013 0.000 1.063 100 S CB 1.493 64.688 63.200 -0.009 0.000 0.881 100 S HN 0.000 nan 8.310 nan 0.000 0.493 101 V N 3.297 123.209 119.914 -0.003 0.000 2.252 101 V HA -0.231 3.888 4.120 -0.001 0.000 0.255 101 V C 2.764 178.868 176.094 0.016 0.000 1.071 101 V CA 2.486 64.791 62.300 0.008 0.000 1.050 101 V CB -0.904 30.918 31.823 -0.001 0.000 0.654 101 V HN 0.879 nan 8.190 nan 0.000 0.448 102 E N -0.643 119.562 120.200 0.007 0.000 2.106 102 E HA -0.193 4.157 4.350 -0.001 0.000 0.192 102 E C 2.259 178.876 176.600 0.027 0.000 0.984 102 E CA 1.166 57.574 56.400 0.012 0.000 0.806 102 E CB -0.295 29.407 29.700 0.003 0.000 0.750 102 E HN 0.547 nan 8.360 nan 0.000 0.458 103 R N 0.380 120.893 120.500 0.022 0.000 2.070 103 R HA -0.111 4.228 4.340 -0.001 0.000 0.232 103 R C 2.286 178.611 176.300 0.042 0.000 1.138 103 R CA 0.893 57.009 56.100 0.026 0.000 0.936 103 R CB -0.488 29.821 30.300 0.015 0.000 0.839 103 R HN 0.061 nan 8.270 nan 0.000 0.429 104 L N 1.438 122.686 121.223 0.043 0.000 2.034 104 L HA -0.273 4.066 4.340 -0.001 0.000 0.217 104 L C 2.074 179.002 176.870 0.097 0.000 1.077 104 L CA 1.965 56.840 54.840 0.059 0.000 0.769 104 L CB -1.110 40.983 42.059 0.057 0.000 0.890 104 L HN 0.270 nan 8.230 nan 0.000 0.435 105 K N -0.516 119.959 120.400 0.126 0.000 2.044 105 K HA -0.230 4.090 4.320 -0.001 0.000 0.210 105 K C 1.978 178.695 176.600 0.194 0.000 1.049 105 K CA 1.769 58.194 56.287 0.231 0.000 0.927 105 K CB -0.174 32.418 32.500 0.153 0.000 0.713 105 K HN 0.424 nan 8.250 nan 0.000 0.443 106 E N 0.319 120.585 120.200 0.110 0.000 2.085 106 E HA -0.194 4.156 4.350 -0.001 0.000 0.194 106 E C 2.055 178.682 176.600 0.045 0.000 0.994 106 E CA 1.375 57.820 56.400 0.076 0.000 0.801 106 E CB -0.042 29.691 29.700 0.054 0.000 0.743 106 E HN 0.303 nan 8.360 nan 0.000 0.453 107 M N 0.158 119.782 119.600 0.041 0.000 2.175 107 M HA -0.121 4.358 4.480 -0.001 0.000 0.264 107 M C 2.194 178.484 176.300 -0.018 0.000 1.063 107 M CA 1.082 56.392 55.300 0.016 0.000 1.119 107 M CB -0.085 32.530 32.600 0.024 0.000 1.377 107 M HN 0.128 nan 8.290 nan 0.000 0.415 108 I N 0.193 120.751 120.570 -0.019 0.000 2.113 108 I HA -0.331 3.838 4.170 -0.001 0.000 0.238 108 I C 2.251 178.271 176.117 -0.162 0.000 1.070 108 I CA 1.508 62.744 61.300 -0.108 0.000 1.332 108 I CB -0.615 37.302 38.000 -0.138 0.000 1.044 108 I HN 0.264 nan 8.210 nan 0.000 0.402 109 K N 1.013 121.339 120.400 -0.123 0.000 2.089 109 K HA -0.208 4.112 4.320 -0.001 0.000 0.210 109 K C 2.096 178.621 176.600 -0.125 0.000 1.048 109 K CA 1.770 57.984 56.287 -0.121 0.000 0.926 109 K CB -0.326 32.171 32.500 -0.006 0.000 0.714 109 K HN 0.374 nan 8.250 nan 0.000 0.448 110 A N -0.156 122.609 122.820 -0.093 0.000 2.119 110 A HA 0.111 4.430 4.320 -0.001 0.000 0.216 110 A C 1.576 179.060 177.584 -0.168 0.000 1.152 110 A CA 1.355 53.323 52.037 -0.114 0.000 0.708 110 A CB 0.024 18.998 19.000 -0.043 0.000 0.805 110 A HN 0.478 nan 8.150 nan 0.000 0.460 111 G N -2.205 106.516 108.800 -0.131 0.000 2.613 111 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.199 111 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.199 111 G C 0.269 175.134 174.900 -0.057 0.000 0.991 111 G CA -0.013 45.031 45.100 -0.093 0.000 0.756 111 G HN 0.421 nan 8.290 nan 0.000 0.515 112 M N 1.245 120.807 119.600 -0.064 0.000 2.248 112 M HA 0.248 4.727 4.480 -0.001 0.000 0.343 112 M C 0.970 177.183 176.300 -0.146 0.000 1.243 112 M CA 1.346 56.605 55.300 -0.068 0.000 1.025 112 M CB 0.175 32.749 32.600 -0.042 0.000 1.759 112 M HN 0.270 nan 8.290 nan 0.000 0.452 113 N N 3.879 122.459 118.700 -0.200 0.000 2.297 113 N HA 0.360 5.099 4.740 -0.001 0.000 0.208 113 N C -0.859 174.454 175.510 -0.330 0.000 1.176 113 N CA -0.133 52.640 53.050 -0.462 0.000 0.882 113 N CB 0.806 38.828 38.487 -0.775 0.000 1.134 113 N HN 0.481 nan 8.380 nan 0.000 0.489 114 I N 0.801 121.293 120.570 -0.129 0.000 2.533 114 I HA 0.528 4.697 4.170 -0.001 0.000 0.290 114 I C -1.048 175.073 176.117 0.007 0.000 1.056 114 I CA -1.148 60.132 61.300 -0.033 0.000 1.057 114 I CB 2.096 40.121 38.000 0.041 0.000 1.240 114 I HN -0.079 nan 8.210 nan 0.000 0.423 115 A N 6.454 129.280 122.820 0.010 0.000 2.274 115 A HA 0.594 4.913 4.320 -0.001 0.000 0.309 115 A C -0.241 177.365 177.584 0.036 0.000 1.226 115 A CA -0.486 51.572 52.037 0.034 0.000 0.853 115 A CB 0.671 19.693 19.000 0.036 0.000 1.146 115 A HN 0.802 nan 8.150 nan 0.000 0.518 116 R N 3.541 124.090 120.500 0.083 0.000 2.295 116 R HA 0.542 4.881 4.340 -0.001 0.000 0.324 116 R C -1.485 174.893 176.300 0.130 0.000 0.968 116 R CA -0.453 55.710 56.100 0.104 0.000 0.837 116 R CB 0.448 30.884 30.300 0.227 0.000 1.133 116 R HN 0.729 nan 8.270 nan 0.000 0.450 117 L N 4.121 125.419 121.223 0.123 0.000 2.264 117 L HA 0.318 4.657 4.340 -0.001 0.000 0.289 117 L C 0.021 177.008 176.870 0.194 0.000 1.044 117 L CA -0.883 54.061 54.840 0.174 0.000 0.807 117 L CB 1.193 43.361 42.059 0.182 0.000 1.192 117 L HN 0.534 nan 8.230 nan 0.000 0.425 118 N N 2.648 121.476 118.700 0.213 0.000 2.521 118 N HA 0.153 4.892 4.740 -0.001 0.000 0.236 118 N C 0.290 175.902 175.510 0.171 0.000 1.067 118 N CA -0.247 52.937 53.050 0.223 0.000 0.939 118 N CB 0.362 38.995 38.487 0.244 0.000 1.201 118 N HN 0.362 nan 8.380 nan 0.000 0.511 119 F N 1.175 121.089 119.950 -0.059 0.000 2.722 119 F HA 0.022 4.549 4.527 -0.001 0.000 0.298 119 F C 2.243 178.038 175.800 -0.007 0.000 1.175 119 F CA 0.325 58.272 58.000 -0.088 0.000 1.462 119 F CB -0.042 38.852 39.000 -0.178 0.000 1.111 119 F HN 0.449 nan 8.300 nan 0.000 0.592 120 S N -1.486 114.256 115.700 0.070 0.000 2.474 120 S HA -0.072 4.398 4.470 -0.001 0.000 0.235 120 S C 0.317 174.618 174.600 -0.497 0.000 0.997 120 S CA 0.692 58.787 58.200 -0.176 0.000 0.949 120 S CB -0.322 62.749 63.200 -0.216 0.000 0.766 120 S HN 0.267 nan 8.310 nan 0.000 0.517 121 H N -0.926 118.172 119.070 0.046 0.000 2.894 121 H HA 0.509 5.064 4.556 -0.001 0.000 0.367 121 H C 0.294 175.523 175.328 -0.164 0.000 1.144 121 H CA -0.040 55.972 56.048 -0.060 0.000 1.180 121 H CB 1.307 31.017 29.762 -0.087 0.000 1.758 121 H HN 0.295 nan 8.280 nan 0.000 0.541 122 G N 1.236 109.906 108.800 -0.216 0.000 2.692 122 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.686 122 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.686 122 G C -0.106 174.632 174.900 -0.270 0.000 1.243 122 G CA -0.249 44.523 45.100 -0.547 0.000 0.782 122 G HN 0.849 nan 8.290 nan 0.000 0.625 123 S N -0.301 115.269 115.700 -0.217 0.000 2.713 123 S HA 0.621 5.090 4.470 -0.001 0.000 0.277 123 S C 1.199 175.827 174.600 0.046 0.000 1.168 123 S CA 0.377 58.553 58.200 -0.040 0.000 0.994 123 S CB 1.325 64.514 63.200 -0.019 0.000 1.054 123 S HN 0.812 nan 8.310 nan 0.000 0.555 124 H N 0.789 119.807 119.070 -0.088 0.000 2.353 124 H HA 0.029 4.584 4.556 -0.001 0.000 0.300 124 H C 1.951 177.271 175.328 -0.015 0.000 1.090 124 H CA 2.179 58.104 56.048 -0.204 0.000 1.327 124 H CB -0.594 29.155 29.762 -0.023 0.000 1.383 124 H HN 0.743 nan 8.280 nan 0.000 0.508 125 E N -0.324 119.997 120.200 0.202 0.000 2.085 125 E HA -0.209 4.141 4.350 -0.001 0.000 0.194 125 E C 2.057 178.699 176.600 0.071 0.000 0.994 125 E CA 1.200 57.693 56.400 0.154 0.000 0.801 125 E CB -0.562 29.209 29.700 0.118 0.000 0.743 125 E HN 0.589 nan 8.360 nan 0.000 0.453 126 Y N 0.580 120.798 120.300 -0.137 0.000 2.181 126 Y HA -0.245 4.304 4.550 -0.001 0.000 0.288 126 Y C 2.094 177.810 175.900 -0.307 0.000 1.146 126 Y CA 1.827 59.772 58.100 -0.259 0.000 1.164 126 Y CB 0.023 38.244 38.460 -0.399 0.000 0.982 126 Y HN 0.182 nan 8.280 nan 0.000 0.515 127 H N -0.736 118.288 119.070 -0.077 0.000 2.470 127 H HA 0.107 4.662 4.556 -0.001 0.000 0.289 127 H C 2.293 177.616 175.328 -0.008 0.000 1.033 127 H CA 0.864 56.824 56.048 -0.147 0.000 1.331 127 H CB -0.378 29.162 29.762 -0.369 0.000 1.414 127 H HN 0.522 nan 8.280 nan 0.000 0.545 128 A N 1.355 124.277 122.820 0.169 0.000 1.898 128 A HA -0.166 4.153 4.320 -0.001 0.000 0.216 128 A C 2.263 179.860 177.584 0.023 0.000 1.181 128 A CA 1.459 53.558 52.037 0.104 0.000 0.620 128 A CB -0.307 18.774 19.000 0.136 0.000 0.819 128 A HN 0.396 nan 8.150 nan 0.000 0.442 129 E N -0.144 120.026 120.200 -0.050 0.000 2.153 129 E HA -0.116 4.233 4.350 -0.001 0.000 0.194 129 E C 2.270 178.799 176.600 -0.119 0.000 0.988 129 E CA 1.250 57.591 56.400 -0.098 0.000 0.811 129 E CB -0.122 29.477 29.700 -0.169 0.000 0.746 129 E HN 0.574 nan 8.360 nan 0.000 0.466 130 S N 0.636 116.235 115.700 -0.167 0.000 2.345 130 S HA -0.114 4.355 4.470 -0.001 0.000 0.220 130 S C 2.018 176.613 174.600 -0.009 0.000 1.031 130 S CA 0.738 58.870 58.200 -0.114 0.000 0.996 130 S CB -0.143 62.998 63.200 -0.098 0.000 0.882 130 S HN 0.175 nan 8.310 nan 0.000 0.445 131 I N 1.856 122.449 120.570 0.039 0.000 2.127 131 I HA -0.276 3.893 4.170 -0.001 0.000 0.241 131 I C 2.721 178.869 176.117 0.052 0.000 1.075 131 I CA 1.275 62.616 61.300 0.068 0.000 1.334 131 I CB -0.555 37.503 38.000 0.096 0.000 1.040 131 I HN 0.269 nan 8.210 nan 0.000 0.405 132 A N 0.596 123.441 122.820 0.042 0.000 1.948 132 A HA -0.287 4.032 4.320 -0.001 0.000 0.220 132 A C 2.040 179.640 177.584 0.026 0.000 1.177 132 A CA 2.485 54.545 52.037 0.038 0.000 0.636 132 A CB -1.111 17.907 19.000 0.030 0.000 0.815 132 A HN 0.584 nan 8.150 nan 0.000 0.449 133 N N -0.593 118.112 118.700 0.008 0.000 2.207 133 N HA -0.046 4.693 4.740 -0.001 0.000 0.182 133 N C 1.649 177.176 175.510 0.029 0.000 1.020 133 N CA 1.012 54.066 53.050 0.007 0.000 0.858 133 N CB -0.158 38.317 38.487 -0.019 0.000 0.991 133 N HN 0.270 nan 8.380 nan 0.000 0.427 134 V N 1.917 121.853 119.914 0.035 0.000 2.219 134 V HA -0.297 3.822 4.120 -0.001 0.000 0.248 134 V C 2.239 178.378 176.094 0.075 0.000 1.053 134 V CA 1.760 64.093 62.300 0.055 0.000 1.009 134 V CB -0.595 31.260 31.823 0.054 0.000 0.636 134 V HN 0.269 nan 8.190 nan 0.000 0.445 135 R N -0.501 120.044 120.500 0.075 0.000 2.133 135 R HA -0.261 4.078 4.340 -0.001 0.000 0.247 135 R C 2.405 178.761 176.300 0.094 0.000 1.151 135 R CA 2.120 58.275 56.100 0.091 0.000 0.971 135 R CB -0.368 29.979 30.300 0.079 0.000 0.866 135 R HN 0.698 nan 8.270 nan 0.000 0.447 136 E N 0.204 120.445 120.200 0.067 0.000 2.031 136 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 136 E C 2.003 178.641 176.600 0.064 0.000 0.994 136 E CA 1.160 57.592 56.400 0.052 0.000 0.800 136 E CB -0.082 29.634 29.700 0.027 0.000 0.752 136 E HN 0.372 nan 8.360 nan 0.000 0.447 137 A N 0.572 123.437 122.820 0.075 0.000 1.892 137 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 137 A C 2.420 180.142 177.584 0.229 0.000 1.188 137 A CA 1.882 53.986 52.037 0.112 0.000 0.631 137 A CB -0.880 18.193 19.000 0.121 0.000 0.822 137 A HN 0.247 nan 8.150 nan 0.000 0.447 138 V N 0.247 120.295 119.914 0.223 0.000 2.295 138 V HA -0.182 3.937 4.120 -0.001 0.000 0.246 138 V C 2.235 178.580 176.094 0.418 0.000 1.049 138 V CA 2.003 64.481 62.300 0.296 0.000 1.024 138 V CB -0.774 31.161 31.823 0.187 0.000 0.648 138 V HN 0.510 nan 8.190 nan 0.000 0.447 139 E N 0.739 121.113 120.200 0.290 0.000 2.478 139 E HA -0.071 4.278 4.350 -0.001 0.000 0.198 139 E C 2.331 179.031 176.600 0.167 0.000 1.046 139 E CA 1.059 57.618 56.400 0.265 0.000 0.870 139 E CB -0.351 29.433 29.700 0.141 0.000 0.818 139 E HN 0.781 nan 8.360 nan 0.000 0.527 140 S N -0.459 115.280 115.700 0.065 0.000 2.481 140 S HA -0.051 4.418 4.470 -0.001 0.000 0.231 140 S C 1.354 175.790 174.600 -0.274 0.000 0.996 140 S CA 0.282 58.375 58.200 -0.177 0.000 0.942 140 S CB -0.409 62.582 63.200 -0.347 0.000 0.768 140 S HN 0.153 nan 8.310 nan 0.000 0.520 141 F N 1.155 121.189 119.950 0.140 0.000 2.664 141 F HA 0.576 5.103 4.527 -0.001 0.000 0.303 141 F C 2.111 178.061 175.800 0.249 0.000 1.092 141 F CA -0.121 57.978 58.000 0.165 0.000 1.305 141 F CB -0.101 38.988 39.000 0.148 0.000 1.054 141 F HN 0.275 nan 8.300 nan 0.000 0.565 142 A N 0.318 123.335 122.820 0.328 0.000 2.209 142 A HA 0.100 4.419 4.320 -0.001 0.000 0.212 142 A C 2.482 180.111 177.584 0.075 0.000 1.158 142 A CA 1.077 53.196 52.037 0.136 0.000 0.742 142 A CB -1.208 17.775 19.000 -0.029 0.000 0.790 142 A HN 0.408 nan 8.150 nan 0.000 0.472 143 G N -0.928 107.926 108.800 0.089 0.000 2.537 143 G HA2 0.036 3.996 3.960 -0.001 0.000 0.220 143 G HA3 0.036 3.996 3.960 -0.001 0.000 0.220 143 G C 0.528 175.470 174.900 0.070 0.000 1.111 143 G CA 1.128 46.260 45.100 0.054 0.000 0.748 143 G HN 0.441 nan 8.290 nan 0.000 0.564 144 S N -0.089 115.683 115.700 0.120 0.000 2.461 144 S HA 0.391 4.860 4.470 -0.001 0.000 0.216 144 S C -2.002 172.702 174.600 0.173 0.000 1.201 144 S CA -0.739 57.535 58.200 0.124 0.000 1.171 144 S CB 2.341 65.613 63.200 0.120 0.000 1.169 144 S HN -0.085 nan 8.310 nan 0.000 0.456 145 P HA -0.053 nan 4.420 nan 0.000 0.219 145 P C 1.090 178.612 177.300 0.370 0.000 1.146 145 P CA 0.877 64.117 63.100 0.233 0.000 0.808 145 P CB 0.094 31.891 31.700 0.162 0.000 0.779 146 L N -1.304 120.069 121.223 0.251 0.000 2.376 146 L HA -0.035 4.304 4.340 -0.001 0.000 0.219 146 L C 2.255 179.133 176.870 0.014 0.000 1.133 146 L CA 1.520 56.397 54.840 0.061 0.000 0.816 146 L CB -0.548 41.516 42.059 0.007 0.000 0.933 146 L HN 0.108 nan 8.230 nan 0.000 0.449 147 S N -1.658 114.102 115.700 0.100 0.000 2.549 147 S HA -0.004 4.465 4.470 -0.001 0.000 0.225 147 S C 0.630 175.299 174.600 0.115 0.000 1.039 147 S CA -0.560 57.676 58.200 0.061 0.000 0.942 147 S CB -0.021 63.203 63.200 0.041 0.000 0.881 147 S HN 0.276 nan 8.310 nan 0.000 0.503 148 Y N 3.840 124.192 120.300 0.086 0.000 2.881 148 Y HA 0.189 4.738 4.550 -0.001 0.000 0.335 148 Y C 0.125 176.069 175.900 0.074 0.000 1.263 148 Y CA 0.434 58.596 58.100 0.104 0.000 1.572 148 Y CB 0.249 38.796 38.460 0.146 0.000 1.237 148 Y HN 0.183 nan 8.280 nan 0.000 0.568 149 R N 8.149 128.289 120.500 -0.600 0.000 2.239 149 R HA 0.326 4.665 4.340 -0.001 0.000 0.332 149 R C -2.510 173.394 176.300 -0.660 0.000 0.988 149 R CA -1.911 53.909 56.100 -0.467 0.000 0.859 149 R CB 0.742 30.847 30.300 -0.325 0.000 1.148 149 R HN 0.489 nan 8.270 nan 0.000 0.482 150 P HA 0.009 nan 4.420 nan 0.000 0.268 150 P C -0.772 176.570 177.300 0.069 0.000 1.205 150 P CA -0.148 62.890 63.100 -0.103 0.000 0.771 150 P CB 0.817 32.593 31.700 0.126 0.000 0.858 151 V N 2.414 122.358 119.914 0.050 0.000 2.531 151 V HA 0.561 4.680 4.120 -0.001 0.000 0.301 151 V C 0.411 176.554 176.094 0.081 0.000 1.034 151 V CA -0.835 61.481 62.300 0.027 0.000 0.865 151 V CB 1.461 33.273 31.823 -0.019 0.000 0.995 151 V HN 0.713 nan 8.190 nan 0.000 0.424 152 A N 5.943 128.820 122.820 0.095 0.000 2.296 152 A HA 0.808 5.128 4.320 -0.001 0.000 0.264 152 A C -0.373 177.228 177.584 0.028 0.000 1.097 152 A CA -0.218 51.869 52.037 0.082 0.000 0.811 152 A CB 0.365 19.424 19.000 0.099 0.000 1.072 152 A HN 0.750 nan 8.150 nan 0.000 0.495 153 I N 0.211 120.783 120.570 0.005 0.000 2.478 153 I HA 0.491 4.660 4.170 -0.001 0.000 0.287 153 I C 0.008 176.069 176.117 -0.094 0.000 1.042 153 I CA -0.271 61.019 61.300 -0.016 0.000 1.067 153 I CB 1.920 39.934 38.000 0.025 0.000 1.233 153 I HN 0.672 nan 8.210 nan 0.000 0.431 154 A N 7.282 129.994 122.820 -0.180 0.000 2.287 154 A HA 0.629 4.948 4.320 -0.001 0.000 0.317 154 A C -0.894 176.513 177.584 -0.294 0.000 1.220 154 A CA -0.483 51.301 52.037 -0.422 0.000 0.835 154 A CB 1.144 19.549 19.000 -0.991 0.000 1.180 154 A HN 0.778 nan 8.150 nan 0.000 0.500 155 L N 2.972 124.054 121.223 -0.236 0.000 2.278 155 L HA 0.320 4.660 4.340 -0.001 0.000 0.287 155 L C -0.589 176.209 176.870 -0.120 0.000 1.072 155 L CA -0.410 54.354 54.840 -0.126 0.000 0.819 155 L CB 0.586 42.517 42.059 -0.214 0.000 1.176 155 L HN 0.686 nan 8.230 nan 0.000 0.435 156 D N 3.842 124.273 120.400 0.052 0.000 2.274 156 D HA 0.127 4.766 4.640 -0.001 0.000 0.239 156 D C -0.415 175.964 176.300 0.131 0.000 1.104 156 D CA -0.174 53.919 54.000 0.155 0.000 0.840 156 D CB 1.583 42.548 40.800 0.276 0.000 1.100 156 D HN 0.452 nan 8.370 nan 0.000 0.477 157 T N 3.123 117.726 114.554 0.081 0.000 2.918 157 T HA 0.012 4.362 4.350 -0.001 0.000 0.302 157 T C 1.303 176.072 174.700 0.116 0.000 1.045 157 T CA -0.184 61.947 62.100 0.051 0.000 1.114 157 T CB 1.219 70.103 68.868 0.027 0.000 0.965 157 T HN 0.420 nan 8.240 nan 0.000 0.540 158 K N 2.651 123.124 120.400 0.121 0.000 1.973 158 K HA 0.084 4.403 4.320 -0.001 0.000 0.210 158 K C 1.121 177.814 176.600 0.154 0.000 1.045 158 K CA 1.295 57.655 56.287 0.123 0.000 0.937 158 K CB -0.760 31.795 32.500 0.092 0.000 0.721 158 K HN 0.945 nan 8.250 nan 0.000 0.438 159 G N 0.328 109.198 108.800 0.117 0.000 2.741 159 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.222 159 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.222 159 G C -2.410 172.498 174.900 0.014 0.000 1.364 159 G CA -0.161 45.018 45.100 0.132 0.000 0.866 159 G HN 0.303 nan 8.290 nan 0.000 0.555 160 P HA 0.197 nan 4.420 nan 0.000 0.238 160 P C 0.369 177.366 177.300 -0.504 0.000 1.714 160 P CA 0.323 63.237 63.100 -0.310 0.000 0.908 160 P CB -0.256 31.234 31.700 -0.350 0.000 1.893 161 E N 0.620 120.636 120.200 -0.306 0.000 2.391 161 E HA 0.330 4.679 4.350 -0.001 0.000 0.255 161 E C 0.185 176.646 176.600 -0.231 0.000 1.187 161 E CA -0.330 55.916 56.400 -0.257 0.000 0.941 161 E CB 0.612 30.281 29.700 -0.052 0.000 1.010 161 E HN 0.256 nan 8.360 nan 0.000 0.458 162 I N 0.925 121.401 120.570 -0.156 0.000 2.569 162 I HA 0.379 4.549 4.170 -0.001 0.000 0.290 162 I C -0.458 175.650 176.117 -0.016 0.000 1.088 162 I CA -0.551 60.692 61.300 -0.095 0.000 1.047 162 I CB 1.879 39.816 38.000 -0.105 0.000 1.237 162 I HN 0.245 nan 8.210 nan 0.000 0.421 163 R N 2.387 122.898 120.500 0.019 0.000 2.744 163 R HA 0.562 4.901 4.340 -0.001 0.000 0.279 163 R C -0.326 176.032 176.300 0.097 0.000 0.977 163 R CA -0.848 55.294 56.100 0.070 0.000 0.906 163 R CB 2.456 32.815 30.300 0.099 0.000 1.197 163 R HN 0.753 nan 8.270 nan 0.000 0.463 164 T N -0.851 113.775 114.554 0.119 0.000 2.734 164 T HA 0.217 4.566 4.350 -0.001 0.000 0.314 164 T C 0.933 175.817 174.700 0.308 0.000 1.057 164 T CA -0.319 61.885 62.100 0.173 0.000 1.047 164 T CB 0.742 69.694 68.868 0.139 0.000 0.991 164 T HN 0.614 nan 8.240 nan 0.000 0.540 165 G N -0.106 108.964 108.800 0.451 0.000 2.553 165 G HA2 0.504 4.463 3.960 -0.001 0.000 0.278 165 G HA3 0.504 4.463 3.960 -0.001 0.000 0.278 165 G C -0.283 174.720 174.900 0.171 0.000 1.349 165 G CA -1.117 44.228 45.100 0.408 0.000 1.037 165 G HN 0.798 nan 8.290 nan 0.000 0.508 166 I N -0.420 120.186 120.570 0.059 0.000 2.581 166 I HA 0.191 4.361 4.170 -0.001 0.000 0.288 166 I C 0.104 176.239 176.117 0.030 0.000 1.047 166 I CA -0.414 60.903 61.300 0.028 0.000 1.374 166 I CB 1.336 39.324 38.000 -0.019 0.000 1.423 166 I HN 0.068 nan 8.210 nan 0.000 0.549 167 L N 4.644 125.886 121.223 0.033 0.000 2.395 167 L HA 0.205 4.544 4.340 -0.001 0.000 0.269 167 L C 0.415 177.296 176.870 0.018 0.000 1.133 167 L CA 0.023 54.884 54.840 0.035 0.000 0.812 167 L CB 0.500 42.581 42.059 0.036 0.000 1.125 167 L HN 0.585 nan 8.230 nan 0.000 0.452 168 Q N 2.705 122.521 119.800 0.026 0.000 2.362 168 Q HA 0.143 4.482 4.340 -0.001 0.000 0.305 168 Q C 0.849 176.853 176.000 0.007 0.000 1.120 168 Q CA 0.897 56.709 55.803 0.016 0.000 1.011 168 Q CB -0.002 28.753 28.738 0.029 0.000 1.048 168 Q HN 0.900 nan 8.270 nan 0.000 0.386 169 G N 3.531 112.328 108.800 -0.004 0.000 2.332 169 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.277 169 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.277 169 G C 0.197 175.097 174.900 -0.001 0.000 0.884 169 G CA 0.424 45.520 45.100 -0.006 0.000 1.251 169 G HN 1.036 nan 8.290 nan 0.000 0.462 170 G N 0.310 109.110 108.800 -0.000 0.000 2.880 170 G HA2 0.600 4.559 3.960 -0.001 0.000 0.303 170 G HA3 0.600 4.559 3.960 -0.001 0.000 0.303 170 G C -1.525 173.378 174.900 0.005 0.000 2.853 170 G CA 0.229 45.331 45.100 0.003 0.000 0.748 170 G HN 0.118 nan 8.290 nan 0.000 0.349 171 P HA 0.072 nan 4.420 nan 0.000 0.221 171 P C 0.782 178.084 177.300 0.003 0.000 1.155 171 P CA 1.012 64.113 63.100 0.001 0.000 0.812 171 P CB 0.570 32.266 31.700 -0.007 0.000 0.801 172 E N -0.305 119.895 120.200 -0.000 0.000 2.496 172 E HA 0.139 4.488 4.350 -0.001 0.000 0.202 172 E C 0.268 176.871 176.600 0.004 0.000 1.021 172 E CA -0.226 56.174 56.400 -0.000 0.000 1.015 172 E CB -0.064 29.633 29.700 -0.005 0.000 1.102 172 E HN 0.201 nan 8.360 nan 0.000 0.452 173 S N -0.295 115.410 115.700 0.008 0.000 2.704 173 S HA 0.569 5.038 4.470 -0.001 0.000 0.305 173 S C -0.201 174.409 174.600 0.017 0.000 1.107 173 S CA -0.957 57.250 58.200 0.011 0.000 0.993 173 S CB 1.847 65.054 63.200 0.010 0.000 1.110 173 S HN 0.011 nan 8.310 nan 0.000 0.534 174 E N 0.280 120.491 120.200 0.018 0.000 2.248 174 E HA 0.632 4.981 4.350 -0.001 0.000 0.267 174 E C -1.348 175.265 176.600 0.022 0.000 0.877 174 E CA -0.882 55.531 56.400 0.022 0.000 0.759 174 E CB 2.286 31.998 29.700 0.020 0.000 1.182 174 E HN 0.407 nan 8.360 nan 0.000 0.418 175 V N 1.848 121.778 119.914 0.027 0.000 3.093 175 V HA 0.310 4.430 4.120 -0.001 0.000 0.320 175 V C -0.416 175.692 176.094 0.024 0.000 1.093 175 V CA -0.495 61.821 62.300 0.026 0.000 1.016 175 V CB 1.960 33.802 31.823 0.032 0.000 1.096 175 V HN 0.651 nan 8.190 nan 0.000 0.452 176 E N 2.646 122.858 120.200 0.020 0.000 2.235 176 E HA 0.328 4.677 4.350 -0.001 0.000 0.252 176 E C -1.418 175.190 176.600 0.015 0.000 0.886 176 E CA -0.470 55.941 56.400 0.018 0.000 0.767 176 E CB 1.352 31.061 29.700 0.015 0.000 1.205 176 E HN 0.506 nan 8.360 nan 0.000 0.421 177 L N 4.945 126.177 121.223 0.015 0.000 2.363 177 L HA 0.222 4.561 4.340 -0.001 0.000 0.286 177 L C 0.164 177.037 176.870 0.005 0.000 1.106 177 L CA -0.379 54.467 54.840 0.009 0.000 0.859 177 L CB 0.513 42.577 42.059 0.009 0.000 1.223 177 L HN 0.226 nan 8.230 nan 0.000 0.446 178 V N 3.872 123.787 119.914 0.003 0.000 2.637 178 V HA 0.014 4.133 4.120 -0.001 0.000 0.296 178 V C 0.823 176.915 176.094 -0.003 0.000 1.046 178 V CA -0.478 61.823 62.300 0.001 0.000 1.066 178 V CB 1.179 33.002 31.823 0.001 0.000 0.968 178 V HN 0.675 nan 8.190 nan 0.000 0.483 179 K N 3.145 123.543 120.400 -0.003 0.000 2.453 179 K HA 0.287 4.606 4.320 -0.001 0.000 0.280 179 K C 1.109 177.704 176.600 -0.008 0.000 1.045 179 K CA 1.037 57.320 56.287 -0.007 0.000 1.059 179 K CB -0.194 32.304 32.500 -0.003 0.000 0.901 179 K HN 1.098 nan 8.250 nan 0.000 0.475 180 G N 2.267 111.059 108.800 -0.013 0.000 2.179 180 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.220 180 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.220 180 G C -0.052 174.839 174.900 -0.015 0.000 0.990 180 G CA 0.211 45.302 45.100 -0.014 0.000 0.646 180 G HN 0.815 nan 8.290 nan 0.000 0.517 181 S N -0.540 115.151 115.700 -0.015 0.000 2.693 181 S HA 0.729 5.198 4.470 -0.001 0.000 0.276 181 S C -0.112 174.477 174.600 -0.020 0.000 1.192 181 S CA -0.411 57.781 58.200 -0.014 0.000 0.994 181 S CB 1.923 65.116 63.200 -0.010 0.000 1.012 181 S HN 0.242 nan 8.310 nan 0.000 0.550 182 Q N 0.514 120.302 119.800 -0.020 0.000 2.295 182 Q HA 0.560 4.899 4.340 -0.001 0.000 0.259 182 Q C -1.191 174.792 176.000 -0.028 0.000 0.976 182 Q CA -0.033 55.754 55.803 -0.026 0.000 0.923 182 Q CB 1.213 29.936 28.738 -0.025 0.000 1.185 182 Q HN 0.558 nan 8.270 nan 0.000 0.410 183 V N 4.216 124.110 119.914 -0.033 0.000 2.487 183 V HA 0.349 4.468 4.120 -0.001 0.000 0.298 183 V C -1.094 174.971 176.094 -0.048 0.000 1.028 183 V CA -0.965 61.314 62.300 -0.035 0.000 0.860 183 V CB 1.765 33.572 31.823 -0.028 0.000 0.991 183 V HN 0.591 nan 8.190 nan 0.000 0.427 184 L N 7.140 128.326 121.223 -0.062 0.000 2.264 184 L HA 0.580 4.919 4.340 -0.001 0.000 0.289 184 L C -0.279 176.541 176.870 -0.084 0.000 1.044 184 L CA 0.230 55.020 54.840 -0.084 0.000 0.807 184 L CB 1.492 43.479 42.059 -0.121 0.000 1.192 184 L HN 0.439 nan 8.230 nan 0.000 0.425 185 V N 4.547 124.412 119.914 -0.081 0.000 2.406 185 V HA 0.500 4.619 4.120 -0.001 0.000 0.272 185 V C 0.416 176.442 176.094 -0.113 0.000 1.043 185 V CA -0.257 61.992 62.300 -0.085 0.000 0.915 185 V CB 0.990 32.763 31.823 -0.084 0.000 0.988 185 V HN 0.927 nan 8.190 nan 0.000 0.466 186 T N 1.234 115.722 114.554 -0.110 0.000 2.912 186 T HA 0.568 4.918 4.350 -0.001 0.000 0.288 186 T C 0.486 175.075 174.700 -0.186 0.000 1.030 186 T CA -0.294 61.749 62.100 -0.095 0.000 1.020 186 T CB 1.859 70.703 68.868 -0.041 0.000 1.056 186 T HN 0.535 nan 8.240 nan 0.000 0.480 187 V N -2.195 117.635 119.914 -0.139 0.000 3.578 187 V HA 0.275 4.394 4.120 -0.001 0.000 0.290 187 V C 0.548 176.760 176.094 0.196 0.000 1.376 187 V CA -0.309 61.854 62.300 -0.229 0.000 1.083 187 V CB -0.467 31.221 31.823 -0.226 0.000 0.911 187 V HN 0.939 nan 8.190 nan 0.000 0.433 188 D N 2.804 123.411 120.400 0.345 0.000 2.451 188 D HA 0.083 4.722 4.640 -0.001 0.000 0.254 188 D C -1.381 175.263 176.300 0.575 0.000 1.204 188 D CA -1.168 53.103 54.000 0.451 0.000 0.896 188 D CB 1.967 43.099 40.800 0.554 0.000 1.136 188 D HN 0.184 nan 8.370 nan 0.000 0.499 189 P HA -0.110 nan 4.420 nan 0.000 0.219 189 P C 0.801 178.072 177.300 -0.049 0.000 1.146 189 P CA 1.135 64.371 63.100 0.227 0.000 0.808 189 P CB 0.142 31.913 31.700 0.120 0.000 0.779 190 A N -2.145 120.626 122.820 -0.082 0.000 2.168 190 A HA -0.030 4.289 4.320 -0.001 0.000 0.215 190 A C 1.432 178.707 177.584 -0.515 0.000 1.152 190 A CA 0.817 52.652 52.037 -0.336 0.000 0.716 190 A CB -1.444 17.294 19.000 -0.436 0.000 0.794 190 A HN 0.154 nan 8.150 nan 0.000 0.465 191 F N -1.259 118.621 119.950 -0.117 0.000 2.695 191 F HA 0.234 4.761 4.527 -0.001 0.000 0.303 191 F C 1.919 177.479 175.800 -0.399 0.000 1.091 191 F CA -0.042 57.898 58.000 -0.101 0.000 1.300 191 F CB 0.026 39.116 39.000 0.149 0.000 1.071 191 F HN 0.136 nan 8.300 nan 0.000 0.578 192 R N -0.140 119.783 120.500 -0.962 0.000 2.174 192 R HA -0.214 4.125 4.340 -0.001 0.000 0.253 192 R C 1.571 177.581 176.300 -0.483 0.000 1.165 192 R CA 1.969 57.235 56.100 -1.391 0.000 0.984 192 R CB -0.289 29.189 30.300 -1.370 0.000 0.873 192 R HN 0.154 nan 8.270 nan 0.000 0.456 193 T N -1.519 112.861 114.554 -0.289 0.000 2.975 193 T HA 0.248 4.597 4.350 -0.001 0.000 0.261 193 T C 1.009 175.674 174.700 -0.058 0.000 0.984 193 T CA -0.294 61.713 62.100 -0.155 0.000 0.911 193 T CB 0.316 69.079 68.868 -0.174 0.000 1.127 193 T HN 0.176 nan 8.240 nan 0.000 0.514 194 R N 0.953 121.445 120.500 -0.015 0.000 2.334 194 R HA 0.264 4.603 4.340 -0.001 0.000 0.220 194 R C 1.043 177.430 176.300 0.146 0.000 0.917 194 R CA -0.219 55.924 56.100 0.072 0.000 1.073 194 R CB 0.277 30.640 30.300 0.105 0.000 1.056 194 R HN 0.215 nan 8.270 nan 0.000 0.506 195 G N 1.344 110.224 108.800 0.133 0.000 2.398 195 G HA2 0.050 4.010 3.960 -0.001 0.000 0.246 195 G HA3 0.050 4.010 3.960 -0.001 0.000 0.246 195 G C -0.270 174.685 174.900 0.091 0.000 1.289 195 G CA -0.350 44.833 45.100 0.139 0.000 0.869 195 G HN 0.332 nan 8.290 nan 0.000 0.543 196 N N 0.162 118.908 118.700 0.076 0.000 3.379 196 N HA 0.576 5.315 4.740 -0.001 0.000 0.350 196 N C 1.199 176.731 175.510 0.038 0.000 1.553 196 N CA -0.073 53.008 53.050 0.051 0.000 0.712 196 N CB 0.565 39.080 38.487 0.047 0.000 1.880 196 N HN 0.387 nan 8.380 nan 0.000 0.648 197 A N -1.025 121.811 122.820 0.027 0.000 2.015 197 A HA -0.023 4.296 4.320 -0.001 0.000 0.219 197 A C 0.968 178.558 177.584 0.009 0.000 1.163 197 A CA 1.058 53.106 52.037 0.018 0.000 0.646 197 A CB -0.746 18.262 19.000 0.015 0.000 0.806 197 A HN 0.641 nan 8.150 nan 0.000 0.448 198 N N -0.721 117.982 118.700 0.005 0.000 2.205 198 N HA 0.063 4.802 4.740 -0.001 0.000 0.201 198 N C -0.773 174.724 175.510 -0.022 0.000 1.128 198 N CA 0.460 53.504 53.050 -0.010 0.000 0.867 198 N CB 0.880 39.359 38.487 -0.012 0.000 0.996 198 N HN 0.254 nan 8.380 nan 0.000 0.503 199 T N 0.796 115.346 114.554 -0.008 0.000 3.031 199 T HA 0.301 4.651 4.350 -0.001 0.000 0.305 199 T C -0.495 174.224 174.700 0.031 0.000 0.985 199 T CA -0.651 61.436 62.100 -0.021 0.000 1.008 199 T CB 2.377 71.210 68.868 -0.060 0.000 1.005 199 T HN -0.055 nan 8.240 nan 0.000 0.444 200 V N 2.014 121.947 119.914 0.032 0.000 2.448 200 V HA 0.807 4.927 4.120 -0.001 0.000 0.295 200 V C -0.912 175.261 176.094 0.131 0.000 1.025 200 V CA -1.008 61.347 62.300 0.092 0.000 0.859 200 V CB 1.345 33.207 31.823 0.066 0.000 0.988 200 V HN 0.938 nan 8.190 nan 0.000 0.431 201 W N 5.054 126.372 121.300 0.030 0.000 2.313 201 W HA 0.701 5.360 4.660 -0.001 0.000 0.328 201 W C -0.778 175.770 176.519 0.048 0.000 1.197 201 W CA -0.213 57.163 57.345 0.051 0.000 1.235 201 W CB 1.539 31.061 29.460 0.103 0.000 1.158 201 W HN 0.674 nan 8.180 nan 0.000 0.578 202 V N 5.686 125.183 119.914 -0.696 0.000 2.876 202 V HA 0.159 4.278 4.120 -0.001 0.000 0.312 202 V C -0.184 175.135 176.094 -1.290 0.000 1.085 202 V CA -0.660 61.257 62.300 -0.639 0.000 0.945 202 V CB 2.243 33.883 31.823 -0.305 0.000 1.017 202 V HN 0.609 nan 8.190 nan 0.000 0.428 203 D N 2.342 122.320 120.400 -0.704 0.000 2.352 203 D HA -0.008 4.631 4.640 -0.001 0.000 0.236 203 D C -0.237 175.979 176.300 -0.140 0.000 1.148 203 D CA 0.170 53.902 54.000 -0.447 0.000 0.844 203 D CB -0.141 40.682 40.800 0.038 0.000 0.933 203 D HN 0.335 nan 8.370 nan 0.000 0.507 204 Y N 0.757 120.855 120.300 -0.337 0.000 2.805 204 Y HA 0.357 4.907 4.550 -0.001 0.000 0.339 204 Y C -1.973 173.814 175.900 -0.189 0.000 1.012 204 Y CA -3.274 54.705 58.100 -0.202 0.000 1.262 204 Y CB 1.235 39.597 38.460 -0.163 0.000 1.100 204 Y HN -0.218 nan 8.280 nan 0.000 0.559 205 P HA -0.296 nan 4.420 nan 0.000 0.221 205 P C 1.020 178.043 177.300 -0.462 0.000 1.160 205 P CA 1.944 64.886 63.100 -0.263 0.000 0.933 205 P CB 0.437 32.072 31.700 -0.108 0.000 0.793 206 N N -0.993 117.278 118.700 -0.715 0.000 2.635 206 N HA -0.083 4.657 4.740 -0.001 0.000 0.191 206 N C 1.658 176.664 175.510 -0.841 0.000 1.155 206 N CA 0.251 52.869 53.050 -0.720 0.000 0.927 206 N CB -0.804 37.396 38.487 -0.479 0.000 0.976 206 N HN 0.237 nan 8.380 nan 0.000 0.448 207 I N 0.782 120.738 120.570 -1.023 0.000 2.151 207 I HA -0.305 3.864 4.170 -0.001 0.000 0.243 207 I C 2.037 177.995 176.117 -0.266 0.000 1.080 207 I CA 1.153 62.158 61.300 -0.492 0.000 1.339 207 I CB -0.043 37.806 38.000 -0.252 0.000 1.039 207 I HN 0.027 nan 8.210 nan 0.000 0.409 208 V N -0.710 119.053 119.914 -0.252 0.000 2.688 208 V HA -0.251 3.868 4.120 -0.001 0.000 0.256 208 V C 2.400 178.417 176.094 -0.129 0.000 1.084 208 V CA 2.181 64.385 62.300 -0.159 0.000 1.103 208 V CB -1.071 30.669 31.823 -0.140 0.000 0.688 208 V HN 0.551 nan 8.190 nan 0.000 0.480 209 R N -0.086 120.321 120.500 -0.155 0.000 2.290 209 R HA 0.192 4.531 4.340 -0.001 0.000 0.197 209 R C 1.335 177.592 176.300 -0.073 0.000 0.913 209 R CA 1.080 57.117 56.100 -0.105 0.000 1.040 209 R CB 0.649 30.882 30.300 -0.111 0.000 0.992 209 R HN 0.551 nan 8.270 nan 0.000 0.500 210 V N 0.263 120.132 119.914 -0.074 0.000 3.612 210 V HA 0.183 4.302 4.120 -0.001 0.000 0.268 210 V C 0.412 176.505 176.094 -0.002 0.000 1.365 210 V CA -0.019 62.273 62.300 -0.014 0.000 1.044 210 V CB 1.398 33.252 31.823 0.052 0.000 0.820 210 V HN -0.092 nan 8.190 nan 0.000 0.444 211 V N 4.605 124.507 119.914 -0.020 0.000 2.348 211 V HA 0.373 4.492 4.120 -0.001 0.000 0.270 211 V C -1.828 174.251 176.094 -0.025 0.000 1.037 211 V CA -1.459 60.833 62.300 -0.015 0.000 0.872 211 V CB 0.901 32.715 31.823 -0.016 0.000 1.002 211 V HN 0.312 nan 8.190 nan 0.000 0.464 212 P HA 0.283 nan 4.420 nan 0.000 0.277 212 P C -0.224 177.062 177.300 -0.023 0.000 1.271 212 P CA -0.415 62.673 63.100 -0.021 0.000 0.795 212 P CB 0.911 32.602 31.700 -0.014 0.000 1.101 213 V N 0.457 120.357 119.914 -0.024 0.000 2.557 213 V HA 0.254 4.374 4.120 -0.001 0.000 0.301 213 V C 1.734 177.814 176.094 -0.022 0.000 1.026 213 V CA 1.883 64.168 62.300 -0.025 0.000 1.137 213 V CB -0.621 31.189 31.823 -0.022 0.000 0.917 213 V HN 1.099 nan 8.190 nan 0.000 0.484 214 G N 3.606 112.391 108.800 -0.026 0.000 2.157 214 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.239 214 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.239 214 G C 0.449 175.333 174.900 -0.025 0.000 0.982 214 G CA -0.202 44.884 45.100 -0.025 0.000 0.650 214 G HN 1.361 nan 8.290 nan 0.000 0.527 215 G N -0.505 108.279 108.800 -0.027 0.000 2.420 215 G HA2 0.596 4.556 3.960 -0.001 0.000 0.284 215 G HA3 0.596 4.556 3.960 -0.001 0.000 0.284 215 G C -0.100 174.776 174.900 -0.040 0.000 1.177 215 G CA -0.324 44.762 45.100 -0.022 0.000 0.841 215 G HN 0.464 nan 8.290 nan 0.000 0.527 216 R N 1.104 121.581 120.500 -0.038 0.000 2.474 216 R HA 0.590 4.930 4.340 -0.001 0.000 0.295 216 R C -0.760 175.489 176.300 -0.085 0.000 0.980 216 R CA -0.634 55.403 56.100 -0.105 0.000 0.934 216 R CB 0.958 31.177 30.300 -0.135 0.000 1.101 216 R HN 0.425 nan 8.270 nan 0.000 0.469 217 I N 4.318 124.791 120.570 -0.161 0.000 2.439 217 I HA 0.242 4.411 4.170 -0.001 0.000 0.283 217 I C -1.178 174.864 176.117 -0.124 0.000 1.023 217 I CA -0.641 60.618 61.300 -0.069 0.000 1.100 217 I CB 1.433 39.407 38.000 -0.042 0.000 1.238 217 I HN 0.564 nan 8.210 nan 0.000 0.445 218 Y N 6.446 126.754 120.300 0.013 0.000 2.323 218 Y HA 0.606 5.156 4.550 -0.001 0.000 0.331 218 Y C 0.051 175.965 175.900 0.023 0.000 1.092 218 Y CA -0.386 57.725 58.100 0.019 0.000 1.150 218 Y CB 1.448 39.923 38.460 0.024 0.000 1.200 218 Y HN 0.339 nan 8.280 nan 0.000 0.472 219 I N 2.848 123.521 120.570 0.171 0.000 2.498 219 I HA 0.234 4.403 4.170 -0.001 0.000 0.290 219 I C -1.101 175.087 176.117 0.118 0.000 1.032 219 I CA -0.879 60.492 61.300 0.119 0.000 1.073 219 I CB 1.877 39.921 38.000 0.073 0.000 1.251 219 I HN 0.648 nan 8.210 nan 0.000 0.426 220 D N 5.474 125.937 120.400 0.104 0.000 3.830 220 D HA -0.222 4.417 4.640 -0.001 0.000 0.247 220 D C 0.125 176.478 176.300 0.088 0.000 1.073 220 D CA 0.909 54.963 54.000 0.090 0.000 1.116 220 D CB -0.664 40.182 40.800 0.078 0.000 0.909 220 D HN 0.811 nan 8.370 nan 0.000 0.418 221 D N 1.969 122.418 120.400 0.081 0.000 2.751 221 D HA -0.143 4.496 4.640 -0.001 0.000 0.233 221 D C 1.208 177.542 176.300 0.056 0.000 1.149 221 D CA 2.986 57.022 54.000 0.060 0.000 0.682 221 D CB -1.291 39.541 40.800 0.053 0.000 1.068 221 D HN 1.599 nan 8.370 nan 0.000 0.429 222 G N -1.047 107.804 108.800 0.084 0.000 2.212 222 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.267 222 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.267 222 G C 1.120 176.151 174.900 0.218 0.000 1.002 222 G CA 0.716 45.899 45.100 0.138 0.000 0.729 222 G HN 0.596 nan 8.290 nan 0.000 0.517 223 L N -0.812 120.500 121.223 0.149 0.000 2.418 223 L HA 0.307 4.647 4.340 -0.001 0.000 0.218 223 L C 1.151 178.090 176.870 0.115 0.000 1.125 223 L CA 0.254 55.166 54.840 0.119 0.000 0.835 223 L CB -0.086 42.020 42.059 0.078 0.000 0.953 223 L HN 0.185 nan 8.230 nan 0.000 0.454 224 I N -1.017 119.628 120.570 0.124 0.000 2.562 224 I HA 0.300 4.469 4.170 -0.001 0.000 0.301 224 I C -0.088 176.040 176.117 0.019 0.000 1.003 224 I CA -0.116 61.223 61.300 0.064 0.000 1.127 224 I CB 1.820 39.850 38.000 0.051 0.000 1.304 224 I HN -0.225 nan 8.210 nan 0.000 0.446 225 S N 6.561 122.214 115.700 -0.077 0.000 2.750 225 S HA 0.656 5.125 4.470 -0.001 0.000 0.276 225 S C -1.162 173.325 174.600 -0.189 0.000 1.165 225 S CA -0.513 57.537 58.200 -0.250 0.000 1.047 225 S CB 0.450 63.506 63.200 -0.240 0.000 1.056 225 S HN 0.426 nan 8.310 nan 0.000 0.481 226 L N 4.062 125.163 121.223 -0.204 0.000 2.334 226 L HA 0.786 5.126 4.340 -0.001 0.000 0.276 226 L C -0.852 175.932 176.870 -0.143 0.000 1.014 226 L CA -1.126 53.634 54.840 -0.134 0.000 0.815 226 L CB 2.131 44.136 42.059 -0.090 0.000 1.268 226 L HN 0.361 nan 8.230 nan 0.000 0.428 227 V N 2.616 122.469 119.914 -0.101 0.000 2.443 227 V HA 0.268 4.387 4.120 -0.001 0.000 0.293 227 V C 0.072 176.130 176.094 -0.061 0.000 1.021 227 V CA -0.812 61.438 62.300 -0.083 0.000 0.848 227 V CB 1.836 33.615 31.823 -0.074 0.000 0.998 227 V HN 0.423 nan 8.190 nan 0.000 0.424 228 V N 6.287 126.168 119.914 -0.054 0.000 2.485 228 V HA 0.035 4.155 4.120 -0.001 0.000 0.287 228 V C 1.213 177.283 176.094 -0.039 0.000 1.022 228 V CA 0.474 62.746 62.300 -0.046 0.000 1.067 228 V CB 0.574 32.371 31.823 -0.043 0.000 0.967 228 V HN 1.091 nan 8.190 nan 0.000 0.479 229 Q N 4.066 123.843 119.800 -0.038 0.000 2.387 229 Q HA 0.288 4.627 4.340 -0.001 0.000 0.212 229 Q C 0.084 176.067 176.000 -0.029 0.000 0.925 229 Q CA 0.069 55.853 55.803 -0.031 0.000 0.901 229 Q CB 0.636 29.356 28.738 -0.029 0.000 1.020 229 Q HN 0.456 nan 8.270 nan 0.000 0.545 230 K N 1.014 121.395 120.400 -0.032 0.000 2.324 230 K HA 0.410 4.730 4.320 -0.001 0.000 0.253 230 K C -0.941 175.637 176.600 -0.036 0.000 0.932 230 K CA -0.730 55.538 56.287 -0.031 0.000 0.799 230 K CB 2.672 35.155 32.500 -0.029 0.000 1.154 230 K HN 0.076 nan 8.250 nan 0.000 0.425 231 I N 1.174 121.724 120.570 -0.035 0.000 2.612 231 I HA 0.535 4.705 4.170 -0.001 0.000 0.295 231 I C 0.417 176.513 176.117 -0.036 0.000 1.011 231 I CA 0.310 61.586 61.300 -0.039 0.000 1.326 231 I CB 1.486 39.463 38.000 -0.037 0.000 1.427 231 I HN 0.750 nan 8.210 nan 0.000 0.537 232 G N 5.692 114.469 108.800 -0.039 0.000 2.663 232 G HA2 0.502 4.461 3.960 -0.001 0.000 0.299 232 G HA3 0.502 4.461 3.960 -0.001 0.000 0.299 232 G C -2.609 172.272 174.900 -0.032 0.000 1.372 232 G CA -0.354 44.726 45.100 -0.033 0.000 0.781 232 G HN 0.360 nan 8.290 nan 0.000 0.491 233 P HA 0.108 nan 4.420 nan 0.000 0.221 233 P C 0.609 177.899 177.300 -0.017 0.000 1.155 233 P CA 0.978 64.067 63.100 -0.018 0.000 0.812 233 P CB 0.286 31.980 31.700 -0.009 0.000 0.801 234 E N -0.522 119.666 120.200 -0.020 0.000 2.609 234 E HA 0.538 4.887 4.350 -0.001 0.000 0.208 234 E C 0.653 177.223 176.600 -0.049 0.000 1.013 234 E CA -0.531 55.859 56.400 -0.018 0.000 1.093 234 E CB -0.188 29.513 29.700 0.001 0.000 1.129 234 E HN 0.159 nan 8.360 nan 0.000 0.450 235 G N 0.011 108.776 108.800 -0.058 0.000 2.353 235 G HA2 0.048 4.007 3.960 -0.001 0.000 0.424 235 G HA3 0.048 4.007 3.960 -0.001 0.000 0.424 235 G C -1.601 173.254 174.900 -0.075 0.000 1.320 235 G CA -1.135 43.917 45.100 -0.080 0.000 0.995 235 G HN 0.121 nan 8.290 nan 0.000 0.580 236 L N 0.757 121.931 121.223 -0.082 0.000 2.261 236 L HA 0.470 4.809 4.340 -0.001 0.000 0.289 236 L C 0.537 177.368 176.870 -0.065 0.000 1.059 236 L CA -0.966 53.832 54.840 -0.071 0.000 0.816 236 L CB 1.442 43.456 42.059 -0.074 0.000 1.191 236 L HN 0.375 nan 8.230 nan 0.000 0.431 237 V N 2.786 122.666 119.914 -0.056 0.000 2.415 237 V HA 0.198 4.317 4.120 -0.001 0.000 0.267 237 V C 0.729 176.795 176.094 -0.047 0.000 1.042 237 V CA -0.193 62.077 62.300 -0.051 0.000 1.000 237 V CB 0.698 32.496 31.823 -0.043 0.000 1.015 237 V HN 0.877 nan 8.190 nan 0.000 0.478 238 T N 2.405 116.930 114.554 -0.048 0.000 2.932 238 T HA 0.608 4.957 4.350 -0.001 0.000 0.289 238 T C -0.711 173.964 174.700 -0.043 0.000 1.039 238 T CA -0.791 61.281 62.100 -0.048 0.000 1.024 238 T CB 2.137 70.973 68.868 -0.053 0.000 1.090 238 T HN 0.581 nan 8.240 nan 0.000 0.496 239 Q N 1.558 121.331 119.800 -0.044 0.000 2.316 239 Q HA 0.534 4.873 4.340 -0.001 0.000 0.264 239 Q C -1.064 174.909 176.000 -0.045 0.000 0.987 239 Q CA -0.933 54.847 55.803 -0.039 0.000 0.852 239 Q CB 1.731 30.449 28.738 -0.035 0.000 1.287 239 Q HN 0.709 nan 8.270 nan 0.000 0.448 240 V N 4.682 124.573 119.914 -0.038 0.000 2.421 240 V HA -0.050 4.069 4.120 -0.001 0.000 0.271 240 V C 1.112 177.181 176.094 -0.041 0.000 1.031 240 V CA 0.577 62.853 62.300 -0.039 0.000 1.032 240 V CB 0.700 32.508 31.823 -0.026 0.000 1.009 240 V HN 0.929 nan 8.190 nan 0.000 0.477 241 E N 4.359 124.525 120.200 -0.058 0.000 2.079 241 E HA 0.013 4.362 4.350 -0.001 0.000 0.191 241 E C 0.501 177.077 176.600 -0.039 0.000 0.961 241 E CA 0.289 56.656 56.400 -0.054 0.000 0.823 241 E CB 0.368 30.019 29.700 -0.082 0.000 0.789 241 E HN 0.717 nan 8.360 nan 0.000 0.459 242 N N 0.537 119.210 118.700 -0.045 0.000 2.392 242 N HA 0.253 4.992 4.740 -0.001 0.000 0.283 242 N C -0.436 175.068 175.510 -0.010 0.000 1.003 242 N CA -0.125 52.916 53.050 -0.015 0.000 0.892 242 N CB 1.846 40.335 38.487 0.004 0.000 1.193 242 N HN 0.130 nan 8.380 nan 0.000 0.487 243 G N -0.020 108.780 108.800 0.000 0.000 2.532 243 G HA2 0.775 4.734 3.960 -0.001 0.000 0.291 243 G HA3 0.775 4.734 3.960 -0.001 0.000 0.291 243 G C -0.073 174.838 174.900 0.017 0.000 1.349 243 G CA -0.256 44.848 45.100 0.006 0.000 1.038 243 G HN 0.682 nan 8.290 nan 0.000 0.518 244 G N -3.028 105.784 108.800 0.019 0.000 2.368 244 G HA2 0.407 4.367 3.960 -0.001 0.000 0.302 244 G HA3 0.407 4.367 3.960 -0.001 0.000 0.302 244 G C -1.538 173.377 174.900 0.025 0.000 1.329 244 G CA -0.330 44.784 45.100 0.025 0.000 0.935 244 G HN 1.057 nan 8.290 nan 0.000 0.590 245 V N 0.631 120.561 119.914 0.027 0.000 2.461 245 V HA 0.584 4.703 4.120 -0.001 0.000 0.275 245 V C 0.209 176.322 176.094 0.033 0.000 1.047 245 V CA -0.344 61.972 62.300 0.027 0.000 0.955 245 V CB 1.016 32.854 31.823 0.024 0.000 0.988 245 V HN 0.868 nan 8.190 nan 0.000 0.471 246 L N 5.515 126.758 121.223 0.034 0.000 2.329 246 L HA 0.951 5.291 4.340 -0.001 0.000 0.279 246 L C 0.346 177.241 176.870 0.042 0.000 1.014 246 L CA 0.494 55.358 54.840 0.041 0.000 0.814 246 L CB 1.638 43.723 42.059 0.044 0.000 1.257 246 L HN 0.639 nan 8.230 nan 0.000 0.424 247 G N 1.919 110.747 108.800 0.046 0.000 3.119 247 G HA2 0.596 4.555 3.960 -0.001 0.000 0.206 247 G HA3 0.596 4.555 3.960 -0.001 0.000 0.206 247 G C -1.228 173.707 174.900 0.058 0.000 1.313 247 G CA -0.622 44.505 45.100 0.045 0.000 1.010 247 G HN 0.644 nan 8.290 nan 0.000 0.578 248 S N -0.273 115.460 115.700 0.055 0.000 2.541 248 S HA 0.532 5.001 4.470 -0.001 0.000 0.283 248 S C 0.008 174.659 174.600 0.086 0.000 1.196 248 S CA -0.579 57.662 58.200 0.068 0.000 1.062 248 S CB 1.342 64.572 63.200 0.049 0.000 1.009 248 S HN 0.609 nan 8.310 nan 0.000 0.502 249 R N 0.278 120.847 120.500 0.115 0.000 3.261 249 R HA -0.145 4.195 4.340 -0.001 0.000 0.257 249 R C -0.950 175.428 176.300 0.130 0.000 1.014 249 R CA 0.475 56.656 56.100 0.135 0.000 0.681 249 R CB -1.610 28.769 30.300 0.132 0.000 1.155 249 R HN 0.562 nan 8.270 nan 0.000 0.424 250 K N 0.063 120.532 120.400 0.116 0.000 2.123 250 K HA 0.398 4.717 4.320 -0.001 0.000 0.259 250 K C 0.799 177.460 176.600 0.101 0.000 0.960 250 K CA -0.007 56.343 56.287 0.107 0.000 0.872 250 K CB 1.386 33.940 32.500 0.090 0.000 1.079 250 K HN 0.259 nan 8.250 nan 0.000 0.440 251 G N 0.928 109.790 108.800 0.103 0.000 2.380 251 G HA2 0.246 4.205 3.960 -0.001 0.000 0.242 251 G HA3 0.246 4.205 3.960 -0.001 0.000 0.242 251 G C -0.510 174.440 174.900 0.084 0.000 1.298 251 G CA -0.364 44.791 45.100 0.092 0.000 0.878 251 G HN 0.289 nan 8.290 nan 0.000 0.542 252 V N 3.503 123.454 119.914 0.062 0.000 2.581 252 V HA 0.408 4.527 4.120 -0.001 0.000 0.303 252 V C -0.074 176.056 176.094 0.060 0.000 1.041 252 V CA -1.049 61.291 62.300 0.066 0.000 0.907 252 V CB 1.761 33.609 31.823 0.041 0.000 0.994 252 V HN 0.762 nan 8.190 nan 0.000 0.442 253 N N 3.759 122.524 118.700 0.108 0.000 2.269 253 N HA 0.586 5.325 4.740 -0.001 0.000 0.304 253 N C -1.263 174.326 175.510 0.133 0.000 1.072 253 N CA -0.587 52.518 53.050 0.091 0.000 0.802 253 N CB 2.825 41.357 38.487 0.076 0.000 1.348 253 N HN 0.477 nan 8.380 nan 0.000 0.484 254 L N 2.497 123.767 121.223 0.079 0.000 2.581 254 L HA 0.382 4.721 4.340 -0.001 0.000 0.241 254 L C -2.410 174.507 176.870 0.080 0.000 1.265 254 L CA -1.593 53.300 54.840 0.088 0.000 0.954 254 L CB 0.673 42.768 42.059 0.060 0.000 1.269 254 L HN 0.163 nan 8.230 nan 0.000 0.475 255 P HA 0.188 nan 4.420 nan 0.000 0.272 255 P C 1.092 178.425 177.300 0.055 0.000 1.230 255 P CA 0.472 63.616 63.100 0.073 0.000 0.788 255 P CB 1.074 32.826 31.700 0.086 0.000 0.949 256 G N 0.366 109.178 108.800 0.020 0.000 2.328 256 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.256 256 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.256 256 G C 0.402 175.309 174.900 0.012 0.000 1.014 256 G CA 0.210 45.313 45.100 0.005 0.000 0.620 256 G HN 0.895 nan 8.290 nan 0.000 0.530 257 A N 1.035 123.870 122.820 0.026 0.000 2.276 257 A HA 0.646 4.965 4.320 -0.001 0.000 0.300 257 A C 0.607 178.208 177.584 0.028 0.000 1.235 257 A CA 0.348 52.403 52.037 0.030 0.000 0.867 257 A CB 0.224 19.251 19.000 0.045 0.000 1.137 257 A HN 0.862 nan 8.150 nan 0.000 0.527 258 Q N 1.989 121.805 119.800 0.026 0.000 2.263 258 Q HA 0.328 4.667 4.340 -0.001 0.000 0.270 258 Q C -0.829 175.189 176.000 0.029 0.000 1.104 258 Q CA -0.348 55.469 55.803 0.024 0.000 0.909 258 Q CB 0.297 29.049 28.738 0.024 0.000 1.214 258 Q HN 0.317 nan 8.270 nan 0.000 0.400 259 V N 4.213 124.126 119.914 -0.002 0.000 2.372 259 V HA -0.027 4.093 4.120 -0.001 0.000 0.261 259 V C 0.727 176.797 176.094 -0.040 0.000 1.055 259 V CA -0.266 62.010 62.300 -0.041 0.000 0.930 259 V CB 0.623 32.338 31.823 -0.180 0.000 1.031 259 V HN 0.896 nan 8.190 nan 0.000 0.479 260 D N 3.517 123.938 120.400 0.035 0.000 2.349 260 D HA -0.033 4.606 4.640 -0.001 0.000 0.224 260 D C 0.598 176.903 176.300 0.009 0.000 1.029 260 D CA -0.322 53.699 54.000 0.035 0.000 0.879 260 D CB 0.142 40.983 40.800 0.069 0.000 0.906 260 D HN 0.326 nan 8.370 nan 0.000 0.528 261 L N 2.248 123.428 121.223 -0.072 0.000 2.514 261 L HA 0.171 4.510 4.340 -0.001 0.000 0.280 261 L C -1.899 174.921 176.870 -0.083 0.000 1.223 261 L CA -1.084 53.683 54.840 -0.122 0.000 0.864 261 L CB -0.078 41.772 42.059 -0.348 0.000 1.118 261 L HN -0.039 nan 8.230 nan 0.000 0.494 262 P HA 0.161 nan 4.420 nan 0.000 0.274 262 P C 0.457 177.740 177.300 -0.029 0.000 1.231 262 P CA -0.295 62.790 63.100 -0.024 0.000 0.790 262 P CB 0.619 32.315 31.700 -0.006 0.000 0.951 263 G N 0.850 109.648 108.800 -0.003 0.000 2.484 263 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.218 263 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.218 263 G C 0.029 174.944 174.900 0.025 0.000 1.130 263 G CA 0.517 45.631 45.100 0.023 0.000 0.784 263 G HN 0.393 nan 8.290 nan 0.000 0.543 264 L N 1.625 122.855 121.223 0.013 0.000 2.415 264 L HA 0.427 4.767 4.340 -0.001 0.000 0.268 264 L C 0.288 177.165 176.870 0.011 0.000 0.984 264 L CA -0.598 54.250 54.840 0.013 0.000 0.853 264 L CB 1.869 43.934 42.059 0.010 0.000 1.215 264 L HN 0.127 nan 8.230 nan 0.000 0.419 265 S N 1.197 116.905 115.700 0.013 0.000 2.707 265 S HA 0.378 4.847 4.470 -0.001 0.000 0.276 265 S C 1.021 175.636 174.600 0.024 0.000 1.179 265 S CA -0.415 57.795 58.200 0.016 0.000 0.992 265 S CB 1.111 64.319 63.200 0.014 0.000 1.030 265 S HN 0.648 nan 8.310 nan 0.000 0.554 266 E N 0.000 120.216 120.200 0.027 0.000 2.070 266 E HA -0.265 4.084 4.350 -0.001 0.000 0.197 266 E C 2.092 178.716 176.600 0.041 0.000 1.004 266 E CA 1.685 58.104 56.400 0.032 0.000 0.805 266 E CB -0.197 29.521 29.700 0.031 0.000 0.744 266 E HN 0.707 nan 8.360 nan 0.000 0.451 267 Q N 1.020 120.847 119.800 0.044 0.000 2.030 267 Q HA -0.208 4.131 4.340 -0.001 0.000 0.204 267 Q C 1.563 177.606 176.000 0.071 0.000 0.986 267 Q CA 2.173 58.013 55.803 0.062 0.000 0.843 267 Q CB -0.232 28.543 28.738 0.062 0.000 0.904 267 Q HN 0.312 nan 8.270 nan 0.000 0.420 268 D N -0.701 119.728 120.400 0.047 0.000 2.160 268 D HA -0.206 4.434 4.640 -0.001 0.000 0.189 268 D C 1.934 178.240 176.300 0.010 0.000 1.003 268 D CA 1.942 55.954 54.000 0.021 0.000 0.846 268 D CB -0.450 40.361 40.800 0.017 0.000 0.949 268 D HN 0.187 nan 8.370 nan 0.000 0.446 269 V N 1.287 121.214 119.914 0.022 0.000 2.250 269 V HA -0.304 3.816 4.120 -0.001 0.000 0.250 269 V C 2.644 178.768 176.094 0.050 0.000 1.060 269 V CA 1.886 64.200 62.300 0.023 0.000 1.030 269 V CB -0.470 31.368 31.823 0.025 0.000 0.643 269 V HN 0.167 nan 8.190 nan 0.000 0.445 270 R N -0.430 120.123 120.500 0.088 0.000 2.083 270 R HA -0.194 4.145 4.340 -0.001 0.000 0.237 270 R C 2.112 178.546 176.300 0.223 0.000 1.137 270 R CA 1.987 58.190 56.100 0.172 0.000 0.951 270 R CB -0.504 29.907 30.300 0.184 0.000 0.851 270 R HN 0.550 nan 8.270 nan 0.000 0.434 271 D N 0.500 120.980 120.400 0.135 0.000 2.123 271 D HA -0.151 4.489 4.640 -0.001 0.000 0.196 271 D C 1.953 178.141 176.300 -0.186 0.000 0.992 271 D CA 1.062 55.013 54.000 -0.082 0.000 0.833 271 D CB -0.179 40.477 40.800 -0.241 0.000 0.954 271 D HN 0.175 nan 8.370 nan 0.000 0.455 272 L N 0.546 121.705 121.223 -0.106 0.000 2.017 272 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 272 L C 2.501 179.358 176.870 -0.022 0.000 1.073 272 L CA 0.933 55.715 54.840 -0.096 0.000 0.745 272 L CB -0.268 41.749 42.059 -0.069 0.000 0.894 272 L HN -0.057 nan 8.230 nan 0.000 0.432 273 R N -0.204 120.316 120.500 0.032 0.000 2.103 273 R HA -0.229 4.110 4.340 -0.001 0.000 0.242 273 R C 2.146 178.497 176.300 0.086 0.000 1.142 273 R CA 1.655 57.786 56.100 0.052 0.000 0.960 273 R CB -1.517 28.830 30.300 0.078 0.000 0.858 273 R HN 0.318 nan 8.270 nan 0.000 0.439 274 F N 1.381 121.312 119.950 -0.032 0.000 2.095 274 F HA -0.149 4.377 4.527 -0.001 0.000 0.298 274 F C 2.331 178.148 175.800 0.030 0.000 1.104 274 F CA 1.962 59.955 58.000 -0.013 0.000 1.232 274 F CB -0.628 38.206 39.000 -0.276 0.000 0.987 274 F HN 0.131 nan 8.300 nan 0.000 0.475 275 G N -0.050 108.839 108.800 0.147 0.000 2.442 275 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.219 275 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.219 275 G C 1.675 176.558 174.900 -0.028 0.000 1.141 275 G CA 1.242 46.367 45.100 0.041 0.000 0.763 275 G HN 0.367 nan 8.290 nan 0.000 0.554 276 V N 0.939 120.827 119.914 -0.044 0.000 2.237 276 V HA -0.207 3.913 4.120 -0.001 0.000 0.245 276 V C 2.645 178.677 176.094 -0.103 0.000 1.046 276 V CA 2.321 64.584 62.300 -0.062 0.000 1.007 276 V CB -0.771 31.019 31.823 -0.056 0.000 0.638 276 V HN 0.483 nan 8.190 nan 0.000 0.445 277 E N -0.680 119.429 120.200 -0.153 0.000 2.171 277 E HA -0.231 4.118 4.350 -0.001 0.000 0.197 277 E C 1.808 178.141 176.600 -0.444 0.000 0.997 277 E CA 1.429 57.655 56.400 -0.290 0.000 0.810 277 E CB -0.192 29.297 29.700 -0.351 0.000 0.738 277 E HN 0.719 nan 8.360 nan 0.000 0.467 278 H N -1.126 117.756 119.070 -0.313 0.000 2.549 278 H HA 0.178 4.733 4.556 -0.001 0.000 0.279 278 H C 0.956 176.208 175.328 -0.128 0.000 1.018 278 H CA 0.537 56.429 56.048 -0.260 0.000 1.175 278 H CB 1.061 30.584 29.762 -0.398 0.000 1.485 278 H HN 0.278 nan 8.280 nan 0.000 0.543 279 G N 2.173 110.952 108.800 -0.034 0.000 2.221 279 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.265 279 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.265 279 G C 0.664 175.569 174.900 0.009 0.000 1.041 279 G CA 0.440 45.530 45.100 -0.016 0.000 0.807 279 G HN 0.393 nan 8.290 nan 0.000 0.502 280 V N -3.099 116.823 119.914 0.012 0.000 3.178 280 V HA 0.442 4.561 4.120 -0.001 0.000 0.306 280 V C 1.089 177.172 176.094 -0.018 0.000 1.107 280 V CA 1.190 63.492 62.300 0.003 0.000 1.195 280 V CB 0.864 32.681 31.823 -0.010 0.000 0.993 280 V HN 0.183 nan 8.190 nan 0.000 0.493 281 D N 1.756 122.138 120.400 -0.030 0.000 2.388 281 D HA 0.400 5.039 4.640 -0.001 0.000 0.208 281 D C 0.066 176.338 176.300 -0.046 0.000 1.035 281 D CA 0.660 54.646 54.000 -0.023 0.000 0.875 281 D CB 0.285 41.084 40.800 -0.001 0.000 0.984 281 D HN 0.625 nan 8.370 nan 0.000 0.508 282 I N 0.306 120.814 120.570 -0.102 0.000 2.722 282 I HA 0.223 4.392 4.170 -0.001 0.000 0.292 282 I C -1.354 174.633 176.117 -0.217 0.000 1.267 282 I CA -0.985 60.230 61.300 -0.142 0.000 1.036 282 I CB 3.114 40.992 38.000 -0.204 0.000 1.281 282 I HN -0.396 nan 8.210 nan 0.000 0.423 283 V N 5.534 125.371 119.914 -0.127 0.000 2.357 283 V HA 0.379 4.498 4.120 -0.001 0.000 0.284 283 V C -0.647 175.476 176.094 0.049 0.000 1.018 283 V CA -0.467 61.773 62.300 -0.101 0.000 0.841 283 V CB 1.157 32.950 31.823 -0.051 0.000 0.991 283 V HN 0.334 nan 8.190 nan 0.000 0.437 284 F N 3.883 123.822 119.950 -0.019 0.000 2.405 284 F HA 0.536 5.062 4.527 -0.001 0.000 0.358 284 F C 0.861 176.643 175.800 -0.030 0.000 1.151 284 F CA -1.271 56.717 58.000 -0.020 0.000 1.161 284 F CB 0.610 39.605 39.000 -0.008 0.000 1.245 284 F HN 0.522 nan 8.300 nan 0.000 0.545 285 A N 3.254 126.160 122.820 0.143 0.000 2.302 285 A HA 0.515 4.834 4.320 -0.001 0.000 0.295 285 A C 0.471 178.074 177.584 0.032 0.000 1.235 285 A CA -0.369 51.707 52.037 0.065 0.000 0.876 285 A CB -0.025 18.999 19.000 0.039 0.000 1.133 285 A HN 0.603 nan 8.150 nan 0.000 0.533 286 S N 1.169 116.893 115.700 0.041 0.000 2.585 286 S HA 0.423 4.893 4.470 -0.001 0.000 0.273 286 S C 0.035 174.682 174.600 0.078 0.000 1.339 286 S CA -0.126 58.061 58.200 -0.022 0.000 1.028 286 S CB -0.252 63.001 63.200 0.088 0.000 0.906 286 S HN 0.736 nan 8.310 nan 0.000 0.528 287 F N -0.425 119.525 119.950 0.000 0.000 3.004 287 F HA -0.162 4.364 4.527 -0.001 0.000 0.264 287 F C 0.230 176.025 175.800 -0.007 0.000 0.979 287 F CA -0.228 57.767 58.000 -0.008 0.000 0.896 287 F CB -1.927 37.061 39.000 -0.020 0.000 0.813 287 F HN 0.188 nan 8.300 nan 0.000 0.804 288 V N 1.600 121.553 119.914 0.065 0.000 2.439 288 V HA 0.071 4.190 4.120 -0.001 0.000 0.271 288 V C 1.326 177.447 176.094 0.045 0.000 1.040 288 V CA 0.277 62.603 62.300 0.044 0.000 1.002 288 V CB 1.103 32.927 31.823 0.002 0.000 1.000 288 V HN 0.432 nan 8.190 nan 0.000 0.477 289 R N 3.942 124.472 120.500 0.050 0.000 2.307 289 R HA 0.320 4.659 4.340 -0.001 0.000 0.200 289 R C 0.084 176.397 176.300 0.022 0.000 0.893 289 R CA -0.106 56.022 56.100 0.046 0.000 1.042 289 R CB 0.273 30.607 30.300 0.057 0.000 1.059 289 R HN 0.736 nan 8.270 nan 0.000 0.530 290 K N -1.610 118.794 120.400 0.007 0.000 2.625 290 K HA 0.534 4.854 4.320 -0.001 0.000 0.284 290 K C -0.068 176.522 176.600 -0.017 0.000 0.984 290 K CA -0.305 55.979 56.287 -0.005 0.000 0.865 290 K CB 0.977 33.480 32.500 0.004 0.000 1.468 290 K HN -0.166 nan 8.250 nan 0.000 0.407 291 A N 1.258 124.062 122.820 -0.027 0.000 1.903 291 A HA -0.268 4.051 4.320 -0.001 0.000 0.219 291 A C 2.194 179.767 177.584 -0.019 0.000 1.191 291 A CA 2.858 54.876 52.037 -0.032 0.000 0.638 291 A CB -1.365 17.616 19.000 -0.033 0.000 0.823 291 A HN 0.959 nan 8.150 nan 0.000 0.451 292 S N -0.135 115.559 115.700 -0.011 0.000 2.420 292 S HA -0.232 4.237 4.470 -0.001 0.000 0.237 292 S C 1.393 175.991 174.600 -0.003 0.000 1.023 292 S CA 1.701 59.897 58.200 -0.005 0.000 0.991 292 S CB -0.595 62.604 63.200 -0.001 0.000 0.792 292 S HN 0.532 nan 8.310 nan 0.000 0.488 293 D N 1.109 121.508 120.400 -0.002 0.000 2.117 293 D HA -0.059 4.581 4.640 -0.001 0.000 0.197 293 D C 2.149 178.449 176.300 -0.001 0.000 0.987 293 D CA 1.368 55.370 54.000 0.005 0.000 0.829 293 D CB -0.578 40.230 40.800 0.013 0.000 0.961 293 D HN 0.437 nan 8.370 nan 0.000 0.460 294 V N 0.287 120.195 119.914 -0.010 0.000 2.591 294 V HA -0.003 4.116 4.120 -0.001 0.000 0.249 294 V C 2.067 178.153 176.094 -0.013 0.000 1.053 294 V CA 1.737 64.029 62.300 -0.013 0.000 1.068 294 V CB -0.255 31.555 31.823 -0.022 0.000 0.689 294 V HN 0.118 nan 8.190 nan 0.000 0.462 295 A N 0.736 123.549 122.820 -0.012 0.000 1.892 295 A HA -0.110 4.209 4.320 -0.001 0.000 0.218 295 A C 2.551 180.128 177.584 -0.011 0.000 1.188 295 A CA 2.677 54.708 52.037 -0.010 0.000 0.631 295 A CB -1.323 17.673 19.000 -0.007 0.000 0.822 295 A HN 1.027 nan 8.150 nan 0.000 0.447 296 A N -0.624 122.192 122.820 -0.008 0.000 1.883 296 A HA -0.066 4.254 4.320 -0.001 0.000 0.217 296 A C 2.255 179.831 177.584 -0.013 0.000 1.186 296 A CA 2.007 54.039 52.037 -0.007 0.000 0.624 296 A CB -1.172 17.828 19.000 -0.001 0.000 0.822 296 A HN 0.478 nan 8.150 nan 0.000 0.444 297 V N -0.238 119.669 119.914 -0.013 0.000 2.282 297 V HA -0.328 3.791 4.120 -0.001 0.000 0.249 297 V C 2.658 178.732 176.094 -0.035 0.000 1.057 297 V CA 2.555 64.843 62.300 -0.020 0.000 1.032 297 V CB -0.814 31.000 31.823 -0.015 0.000 0.645 297 V HN 0.607 nan 8.190 nan 0.000 0.447 298 R N -0.335 120.144 120.500 -0.035 0.000 2.083 298 R HA -0.186 4.154 4.340 -0.001 0.000 0.237 298 R C 2.381 178.637 176.300 -0.073 0.000 1.137 298 R CA 1.764 57.831 56.100 -0.056 0.000 0.951 298 R CB -0.621 29.657 30.300 -0.037 0.000 0.851 298 R HN 0.542 nan 8.270 nan 0.000 0.434 299 A N 0.443 123.234 122.820 -0.048 0.000 1.883 299 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 299 A C 2.334 179.890 177.584 -0.047 0.000 1.186 299 A CA 1.903 53.914 52.037 -0.044 0.000 0.624 299 A CB -0.984 18.002 19.000 -0.023 0.000 0.822 299 A HN 0.509 nan 8.150 nan 0.000 0.444 300 A N -0.799 121.999 122.820 -0.036 0.000 1.883 300 A HA -0.082 4.238 4.320 -0.001 0.000 0.217 300 A C 2.044 179.602 177.584 -0.044 0.000 1.186 300 A CA 1.765 53.784 52.037 -0.030 0.000 0.624 300 A CB -0.675 18.312 19.000 -0.022 0.000 0.822 300 A HN 0.482 nan 8.150 nan 0.000 0.444 301 L N -1.000 120.186 121.223 -0.062 0.000 2.189 301 L HA 0.032 4.371 4.340 -0.001 0.000 0.214 301 L C 1.526 178.339 176.870 -0.095 0.000 1.097 301 L CA 1.453 56.246 54.840 -0.078 0.000 0.764 301 L CB -1.262 40.741 42.059 -0.094 0.000 0.900 301 L HN 0.816 nan 8.230 nan 0.000 0.436 302 G N -2.032 106.704 108.800 -0.106 0.000 2.877 302 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.279 302 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.279 302 G C -1.745 173.051 174.900 -0.173 0.000 1.431 302 G CA -0.195 44.840 45.100 -0.107 0.000 0.883 302 G HN 0.167 nan 8.290 nan 0.000 0.547 303 P HA 0.089 nan 4.420 nan 0.000 0.222 303 P C 1.374 178.648 177.300 -0.043 0.000 1.153 303 P CA 1.359 64.397 63.100 -0.104 0.000 0.798 303 P CB 0.070 31.771 31.700 0.001 0.000 0.796 304 E N -0.252 119.923 120.200 -0.042 0.000 2.510 304 E HA -0.006 4.344 4.350 -0.001 0.000 0.202 304 E C 1.135 177.716 176.600 -0.031 0.000 1.072 304 E CA 1.010 57.395 56.400 -0.024 0.000 0.883 304 E CB -0.559 29.121 29.700 -0.033 0.000 0.818 304 E HN 0.301 nan 8.360 nan 0.000 0.548 305 G N -0.094 108.664 108.800 -0.069 0.000 4.921 305 G HA2 0.133 4.093 3.960 -0.001 0.000 0.248 305 G HA3 0.133 4.093 3.960 -0.001 0.000 0.248 305 G C 0.137 174.991 174.900 -0.077 0.000 1.026 305 G CA -0.506 44.556 45.100 -0.064 0.000 0.825 305 G HN 0.136 nan 8.290 nan 0.000 0.538 306 H N -0.027 119.035 119.070 -0.015 0.000 2.456 306 H HA -0.026 4.530 4.556 -0.001 0.000 0.296 306 H C 2.649 177.969 175.328 -0.013 0.000 1.079 306 H CA 1.725 57.765 56.048 -0.013 0.000 1.322 306 H CB 0.584 30.339 29.762 -0.012 0.000 1.388 306 H HN 0.432 nan 8.280 nan 0.000 0.538 307 G N 0.505 109.370 108.800 0.110 0.000 2.448 307 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.218 307 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.218 307 G C 0.623 175.544 174.900 0.035 0.000 1.135 307 G CA -0.057 45.080 45.100 0.062 0.000 0.784 307 G HN 0.230 nan 8.290 nan 0.000 0.543 308 I N 1.937 122.518 120.570 0.019 0.000 2.587 308 I HA 0.052 4.221 4.170 -0.001 0.000 0.284 308 I C -0.045 176.075 176.117 0.005 0.000 1.134 308 I CA -0.292 61.007 61.300 -0.002 0.000 1.410 308 I CB 0.693 38.678 38.000 -0.025 0.000 1.392 308 I HN -0.068 nan 8.210 nan 0.000 0.545 309 K N 7.617 128.021 120.400 0.006 0.000 2.368 309 K HA 0.395 4.715 4.320 -0.001 0.000 0.282 309 K C -0.267 176.344 176.600 0.019 0.000 1.035 309 K CA -0.096 56.201 56.287 0.017 0.000 0.973 309 K CB 0.959 33.476 32.500 0.028 0.000 0.957 309 K HN 0.505 nan 8.250 nan 0.000 0.474 310 I N 4.717 125.303 120.570 0.027 0.000 2.339 310 I HA 0.217 4.386 4.170 -0.001 0.000 0.290 310 I C -0.172 175.982 176.117 0.062 0.000 0.994 310 I CA -0.808 60.513 61.300 0.034 0.000 1.191 310 I CB 1.040 39.047 38.000 0.012 0.000 1.343 310 I HN 0.199 nan 8.210 nan 0.000 0.458 311 I N 5.337 125.982 120.570 0.124 0.000 2.354 311 I HA 0.207 4.376 4.170 -0.001 0.000 0.286 311 I C 0.252 176.414 176.117 0.076 0.000 1.007 311 I CA -0.332 61.047 61.300 0.133 0.000 1.167 311 I CB 1.280 39.459 38.000 0.298 0.000 1.320 311 I HN 0.441 nan 8.210 nan 0.000 0.458 312 S N 6.821 122.526 115.700 0.008 0.000 2.505 312 S HA 0.292 4.761 4.470 -0.001 0.000 0.276 312 S C 0.238 174.812 174.600 -0.043 0.000 1.274 312 S CA -0.688 57.502 58.200 -0.017 0.000 1.053 312 S CB 0.618 63.790 63.200 -0.046 0.000 0.919 312 S HN 0.363 nan 8.310 nan 0.000 0.490 313 K N 2.636 122.998 120.400 -0.063 0.000 2.234 313 K HA 0.362 4.681 4.320 -0.001 0.000 0.282 313 K C -0.650 175.885 176.600 -0.108 0.000 1.039 313 K CA -0.513 55.702 56.287 -0.120 0.000 0.928 313 K CB 0.672 33.064 32.500 -0.179 0.000 1.039 313 K HN 0.417 nan 8.250 nan 0.000 0.470 314 I N 3.478 124.000 120.570 -0.081 0.000 2.330 314 I HA 0.108 4.277 4.170 -0.001 0.000 0.286 314 I C 0.648 176.711 176.117 -0.089 0.000 1.025 314 I CA 0.161 61.439 61.300 -0.037 0.000 1.197 314 I CB 0.890 38.926 38.000 0.059 0.000 1.358 314 I HN 0.766 nan 8.210 nan 0.000 0.467 315 E N 4.124 124.258 120.200 -0.110 0.000 2.601 315 E HA 0.072 4.422 4.350 -0.001 0.000 0.219 315 E C -0.334 176.270 176.600 0.008 0.000 0.964 315 E CA -0.034 56.277 56.400 -0.148 0.000 1.050 315 E CB 0.776 30.170 29.700 -0.510 0.000 1.068 315 E HN 0.773 nan 8.360 nan 0.000 0.496 316 N N -1.688 117.043 118.700 0.051 0.000 3.039 316 N HA 0.004 4.743 4.740 -0.001 0.000 0.257 316 N C 0.355 175.920 175.510 0.092 0.000 1.497 316 N CA -0.647 52.464 53.050 0.101 0.000 0.861 316 N CB 0.418 39.002 38.487 0.162 0.000 1.479 316 N HN -0.231 nan 8.380 nan 0.000 0.547 317 H N -0.255 118.831 119.070 0.025 0.000 2.319 317 H HA -0.111 4.444 4.556 -0.001 0.000 0.299 317 H C 1.104 176.446 175.328 0.024 0.000 1.092 317 H CA 2.502 58.558 56.048 0.013 0.000 1.302 317 H CB 0.242 30.010 29.762 0.010 0.000 1.373 317 H HN 0.829 nan 8.280 nan 0.000 0.497 318 E N -0.259 120.028 120.200 0.144 0.000 2.085 318 E HA -0.117 4.233 4.350 -0.001 0.000 0.194 318 E C 2.461 179.075 176.600 0.024 0.000 0.994 318 E CA 1.123 57.572 56.400 0.082 0.000 0.801 318 E CB -0.411 29.346 29.700 0.096 0.000 0.743 318 E HN 0.560 nan 8.360 nan 0.000 0.453 319 G N 0.323 109.147 108.800 0.040 0.000 2.440 319 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.218 319 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.218 319 G C 1.648 176.578 174.900 0.049 0.000 1.154 319 G CA 0.979 46.105 45.100 0.043 0.000 0.767 319 G HN 0.251 nan 8.290 nan 0.000 0.552 320 V N 0.653 120.553 119.914 -0.023 0.000 2.358 320 V HA -0.104 4.015 4.120 -0.001 0.000 0.246 320 V C 2.819 178.871 176.094 -0.070 0.000 1.047 320 V CA 1.760 64.021 62.300 -0.066 0.000 1.035 320 V CB -0.253 31.464 31.823 -0.177 0.000 0.658 320 V HN 0.207 nan 8.190 nan 0.000 0.452 321 K N 0.357 120.668 120.400 -0.149 0.000 2.148 321 K HA -0.029 4.290 4.320 -0.001 0.000 0.204 321 K C 1.805 178.404 176.600 -0.001 0.000 1.050 321 K CA 1.064 57.288 56.287 -0.106 0.000 0.942 321 K CB -0.175 32.245 32.500 -0.134 0.000 0.724 321 K HN 0.448 nan 8.250 nan 0.000 0.446 322 R N -0.455 120.061 120.500 0.027 0.000 2.552 322 R HA 0.111 4.450 4.340 -0.001 0.000 0.314 322 R C 1.396 177.723 176.300 0.045 0.000 1.041 322 R CA -0.331 55.788 56.100 0.032 0.000 1.076 322 R CB -0.180 30.127 30.300 0.012 0.000 1.290 322 R HN 0.042 nan 8.270 nan 0.000 0.563 323 F N 2.404 122.321 119.950 -0.056 0.000 2.087 323 F HA -0.322 4.204 4.527 -0.002 0.000 0.299 323 F C 1.561 177.337 175.800 -0.041 0.000 1.100 323 F CA 1.930 59.898 58.000 -0.053 0.000 1.226 323 F CB 0.133 39.093 39.000 -0.066 0.000 0.983 323 F HN 0.024 nan 8.300 nan 0.000 0.479 324 D N 0.283 120.738 120.400 0.093 0.000 2.116 324 D HA -0.257 4.382 4.640 -0.001 0.000 0.193 324 D C 2.192 178.414 176.300 -0.130 0.000 0.998 324 D CA 1.877 55.870 54.000 -0.012 0.000 0.836 324 D CB -0.623 40.215 40.800 0.062 0.000 0.951 324 D HN 0.715 nan 8.370 nan 0.000 0.449 325 E N 0.682 120.827 120.200 -0.092 0.000 2.072 325 E HA -0.138 4.212 4.350 -0.001 0.000 0.191 325 E C 2.288 178.806 176.600 -0.137 0.000 0.985 325 E CA 0.684 57.032 56.400 -0.087 0.000 0.801 325 E CB -0.470 29.201 29.700 -0.047 0.000 0.750 325 E HN 0.250 nan 8.360 nan 0.000 0.452 326 I N 1.260 121.715 120.570 -0.193 0.000 2.286 326 I HA -0.241 3.928 4.170 -0.001 0.000 0.248 326 I C 2.649 178.582 176.117 -0.307 0.000 1.115 326 I CA 0.870 62.033 61.300 -0.228 0.000 1.392 326 I CB -0.229 37.634 38.000 -0.228 0.000 1.065 326 I HN 0.246 nan 8.210 nan 0.000 0.418 327 L N 0.492 121.429 121.223 -0.477 0.000 2.044 327 L HA -0.201 4.138 4.340 -0.001 0.000 0.205 327 L C 2.527 179.269 176.870 -0.213 0.000 1.075 327 L CA 1.630 56.212 54.840 -0.430 0.000 0.747 327 L CB -0.357 41.361 42.059 -0.570 0.000 0.903 327 L HN 0.301 nan 8.230 nan 0.000 0.435 328 E N -0.846 119.253 120.200 -0.169 0.000 2.219 328 E HA -0.235 4.114 4.350 -0.001 0.000 0.198 328 E C 1.898 178.452 176.600 -0.077 0.000 0.998 328 E CA 1.264 57.606 56.400 -0.097 0.000 0.818 328 E CB 0.214 29.869 29.700 -0.075 0.000 0.741 328 E HN 0.321 nan 8.360 nan 0.000 0.477 329 V N -0.100 119.761 119.914 -0.089 0.000 3.644 329 V HA 0.053 4.173 4.120 -0.001 0.000 0.267 329 V C 0.124 176.185 176.094 -0.055 0.000 1.277 329 V CA 0.197 62.461 62.300 -0.061 0.000 1.096 329 V CB 1.049 32.839 31.823 -0.056 0.000 0.828 329 V HN 0.032 nan 8.190 nan 0.000 0.446 330 S N -0.107 115.547 115.700 -0.076 0.000 2.681 330 S HA 0.337 4.807 4.470 -0.001 0.000 0.299 330 S C 0.487 175.061 174.600 -0.042 0.000 1.113 330 S CA -0.628 57.537 58.200 -0.057 0.000 1.013 330 S CB 1.551 64.703 63.200 -0.080 0.000 1.076 330 S HN 0.282 nan 8.310 nan 0.000 0.534 331 D N 0.645 121.035 120.400 -0.017 0.000 2.289 331 D HA 0.217 4.856 4.640 -0.001 0.000 0.207 331 D C 0.890 177.188 176.300 -0.004 0.000 0.966 331 D CA 0.706 54.703 54.000 -0.005 0.000 0.868 331 D CB 0.263 41.071 40.800 0.013 0.000 0.943 331 D HN 0.658 nan 8.370 nan 0.000 0.514 332 G N -0.424 108.373 108.800 -0.005 0.000 2.489 332 G HA2 0.455 4.414 3.960 -0.001 0.000 0.305 332 G HA3 0.455 4.414 3.960 -0.001 0.000 0.305 332 G C -1.797 173.097 174.900 -0.010 0.000 1.311 332 G CA -0.572 44.528 45.100 0.000 0.000 0.813 332 G HN -0.074 nan 8.290 nan 0.000 0.480 333 I N 0.463 121.034 120.570 0.003 0.000 2.769 333 I HA 0.522 4.691 4.170 -0.001 0.000 0.298 333 I C -0.590 175.503 176.117 -0.040 0.000 1.128 333 I CA -0.681 60.623 61.300 0.006 0.000 1.031 333 I CB 2.073 40.140 38.000 0.113 0.000 1.235 333 I HN 0.596 nan 8.210 nan 0.000 0.423 334 M N 5.546 125.094 119.600 -0.087 0.000 2.125 334 M HA 0.400 4.879 4.480 -0.001 0.000 0.321 334 M C -1.293 174.942 176.300 -0.109 0.000 0.983 334 M CA -0.730 54.468 55.300 -0.169 0.000 0.934 334 M CB 1.449 33.855 32.600 -0.323 0.000 1.542 334 M HN 0.263 nan 8.290 nan 0.000 0.424 335 V N 5.315 125.173 119.914 -0.092 0.000 2.341 335 V HA 0.164 4.283 4.120 -0.001 0.000 0.248 335 V C 0.731 176.765 176.094 -0.100 0.000 1.107 335 V CA -0.231 62.023 62.300 -0.077 0.000 1.069 335 V CB -0.071 31.712 31.823 -0.067 0.000 1.177 335 V HN 0.873 nan 8.190 nan 0.000 0.492 336 A N 5.527 128.278 122.820 -0.116 0.000 2.990 336 A HA 0.293 4.613 4.320 -0.001 0.000 0.282 336 A C 1.531 179.054 177.584 -0.101 0.000 1.688 336 A CA -0.297 51.657 52.037 -0.137 0.000 1.391 336 A CB -0.399 18.481 19.000 -0.201 0.000 1.112 336 A HN 0.853 nan 8.150 nan 0.000 0.588 337 R N 1.327 121.784 120.500 -0.072 0.000 2.096 337 R HA -0.118 4.221 4.340 -0.001 0.000 0.235 337 R C 2.381 178.659 176.300 -0.037 0.000 1.127 337 R CA 1.572 57.644 56.100 -0.047 0.000 0.968 337 R CB -0.239 30.043 30.300 -0.029 0.000 0.861 337 R HN 0.716 nan 8.270 nan 0.000 0.440 338 G N 1.404 110.183 108.800 -0.035 0.000 2.679 338 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.217 338 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.217 338 G C 0.964 175.856 174.900 -0.013 0.000 1.267 338 G CA 1.435 46.525 45.100 -0.016 0.000 0.799 338 G HN 0.262 nan 8.290 nan 0.000 0.606 339 D N 0.057 120.446 120.400 -0.018 0.000 2.117 339 D HA -0.097 4.542 4.640 -0.001 0.000 0.197 339 D C 2.500 178.801 176.300 0.002 0.000 0.987 339 D CA 0.902 54.915 54.000 0.022 0.000 0.829 339 D CB -0.190 40.625 40.800 0.026 0.000 0.961 339 D HN 0.153 nan 8.370 nan 0.000 0.460 340 L N 1.251 122.455 121.223 -0.030 0.000 2.079 340 L HA -0.069 4.270 4.340 -0.001 0.000 0.210 340 L C 2.249 179.104 176.870 -0.025 0.000 1.081 340 L CA 1.745 56.570 54.840 -0.024 0.000 0.752 340 L CB -0.924 41.109 42.059 -0.044 0.000 0.896 340 L HN 0.002 nan 8.230 nan 0.000 0.433 341 G N -1.502 107.279 108.800 -0.032 0.000 2.776 341 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.209 341 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.209 341 G C 1.372 176.227 174.900 -0.075 0.000 1.145 341 G CA 0.825 45.903 45.100 -0.037 0.000 0.791 341 G HN 0.510 nan 8.290 nan 0.000 0.530 342 I N -1.155 119.359 120.570 -0.094 0.000 4.124 342 I HA 0.143 4.312 4.170 -0.001 0.000 0.311 342 I C 2.025 178.027 176.117 -0.192 0.000 1.259 342 I CA 0.021 61.198 61.300 -0.204 0.000 1.315 342 I CB 0.237 38.129 38.000 -0.181 0.000 1.223 342 I HN -0.069 nan 8.210 nan 0.000 0.441 343 E N 2.023 122.183 120.200 -0.066 0.000 2.107 343 E HA 0.040 4.389 4.350 -0.001 0.000 0.191 343 E C 0.878 177.477 176.600 -0.002 0.000 0.982 343 E CA 0.891 57.285 56.400 -0.010 0.000 0.809 343 E CB 0.257 29.990 29.700 0.055 0.000 0.756 343 E HN 0.538 nan 8.360 nan 0.000 0.459 344 I N -1.828 118.742 120.570 -0.001 0.000 2.863 344 I HA 0.465 4.634 4.170 -0.001 0.000 0.311 344 I C -2.632 173.474 176.117 -0.018 0.000 1.026 344 I CA -3.015 58.294 61.300 0.015 0.000 1.077 344 I CB 1.714 39.746 38.000 0.053 0.000 1.262 344 I HN -0.350 nan 8.210 nan 0.000 0.461 345 P HA 0.059 nan 4.420 nan 0.000 0.265 345 P C 0.380 177.683 177.300 0.005 0.000 1.193 345 P CA 0.085 63.184 63.100 -0.002 0.000 0.765 345 P CB 0.967 32.677 31.700 0.017 0.000 0.823 346 A N 3.743 126.565 122.820 0.004 0.000 1.986 346 A HA -0.247 4.072 4.320 -0.001 0.000 0.220 346 A C 1.712 179.335 177.584 0.066 0.000 1.171 346 A CA 1.739 53.788 52.037 0.021 0.000 0.640 346 A CB -1.062 17.947 19.000 0.014 0.000 0.811 346 A HN 0.571 nan 8.150 nan 0.000 0.451 347 E N 0.069 120.316 120.200 0.079 0.000 2.331 347 E HA -0.141 4.208 4.350 -0.001 0.000 0.199 347 E C 1.657 178.378 176.600 0.201 0.000 1.008 347 E CA 1.375 57.861 56.400 0.144 0.000 0.843 347 E CB -0.105 29.664 29.700 0.114 0.000 0.761 347 E HN 0.667 nan 8.360 nan 0.000 0.507 348 K N -0.299 120.142 120.400 0.069 0.000 2.360 348 K HA 0.134 4.453 4.320 -0.001 0.000 0.196 348 K C 1.719 178.220 176.600 -0.165 0.000 1.049 348 K CA 0.106 56.349 56.287 -0.072 0.000 1.049 348 K CB 0.606 33.070 32.500 -0.059 0.000 0.881 348 K HN -0.038 nan 8.250 nan 0.000 0.542 349 V N 2.328 122.218 119.914 -0.040 0.000 2.252 349 V HA -0.321 3.798 4.120 -0.001 0.000 0.249 349 V C 2.187 178.229 176.094 -0.088 0.000 1.056 349 V CA 2.297 64.567 62.300 -0.049 0.000 1.022 349 V CB -0.797 31.033 31.823 0.011 0.000 0.641 349 V HN 0.359 nan 8.190 nan 0.000 0.445 350 F N 0.785 120.713 119.950 -0.037 0.000 2.147 350 F HA -0.233 4.293 4.527 -0.002 0.000 0.301 350 F C 1.966 177.735 175.800 -0.051 0.000 1.084 350 F CA 1.846 59.822 58.000 -0.040 0.000 1.268 350 F CB -1.225 37.758 39.000 -0.028 0.000 1.009 350 F HN 0.109 nan 8.300 nan 0.000 0.486 351 L N 0.750 121.267 121.223 -1.177 0.000 2.046 351 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 351 L C 3.029 179.665 176.870 -0.390 0.000 1.077 351 L CA 1.293 55.661 54.840 -0.787 0.000 0.747 351 L CB -1.289 40.321 42.059 -0.748 0.000 0.896 351 L HN 0.369 nan 8.230 nan 0.000 0.432 352 A N -0.387 122.246 122.820 -0.311 0.000 1.898 352 A HA -0.264 4.055 4.320 -0.001 0.000 0.216 352 A C 2.297 179.747 177.584 -0.225 0.000 1.181 352 A CA 1.731 53.619 52.037 -0.248 0.000 0.620 352 A CB -0.605 18.279 19.000 -0.193 0.000 0.819 352 A HN 0.510 nan 8.150 nan 0.000 0.442 353 Q N -0.044 119.659 119.800 -0.160 0.000 2.030 353 Q HA -0.256 4.084 4.340 -0.001 0.000 0.204 353 Q C 1.933 177.865 176.000 -0.114 0.000 0.986 353 Q CA 2.234 57.972 55.803 -0.109 0.000 0.843 353 Q CB -0.200 28.514 28.738 -0.039 0.000 0.904 353 Q HN 0.632 nan 8.270 nan 0.000 0.420 354 K N -0.139 120.200 120.400 -0.100 0.000 2.097 354 K HA -0.105 4.215 4.320 -0.001 0.000 0.205 354 K C 2.180 178.703 176.600 -0.129 0.000 1.050 354 K CA 1.305 57.547 56.287 -0.076 0.000 0.938 354 K CB -0.176 32.314 32.500 -0.018 0.000 0.718 354 K HN 0.329 nan 8.250 nan 0.000 0.442 355 M N 0.628 120.111 119.600 -0.194 0.000 2.086 355 M HA -0.155 4.325 4.480 -0.001 0.000 0.261 355 M C 1.879 177.975 176.300 -0.339 0.000 1.067 355 M CA 1.820 56.973 55.300 -0.246 0.000 1.116 355 M CB -0.195 32.233 32.600 -0.287 0.000 1.348 355 M HN 0.200 nan 8.290 nan 0.000 0.407 356 M N -0.312 119.031 119.600 -0.428 0.000 2.123 356 M HA -0.169 4.310 4.480 -0.001 0.000 0.263 356 M C 2.156 178.345 176.300 -0.185 0.000 1.069 356 M CA 1.371 56.333 55.300 -0.563 0.000 1.133 356 M CB -0.518 31.765 32.600 -0.530 0.000 1.356 356 M HN 0.233 nan 8.290 nan 0.000 0.415 357 I N 0.256 120.756 120.570 -0.117 0.000 2.208 357 I HA -0.239 3.930 4.170 -0.001 0.000 0.245 357 I C 2.578 178.674 176.117 -0.036 0.000 1.097 357 I CA 1.540 62.812 61.300 -0.046 0.000 1.363 357 I CB -1.051 36.925 38.000 -0.039 0.000 1.051 357 I HN 0.391 nan 8.210 nan 0.000 0.413 358 G N 0.492 109.253 108.800 -0.066 0.000 2.421 358 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.216 358 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.216 358 G C 1.807 176.693 174.900 -0.022 0.000 1.171 358 G CA 0.587 45.658 45.100 -0.048 0.000 0.775 358 G HN 0.249 nan 8.290 nan 0.000 0.543 359 R N -0.752 119.732 120.500 -0.027 0.000 2.081 359 R HA -0.014 4.326 4.340 -0.001 0.000 0.235 359 R C 2.761 179.128 176.300 0.112 0.000 1.131 359 R CA 1.371 57.507 56.100 0.059 0.000 0.960 359 R CB -0.689 29.682 30.300 0.118 0.000 0.856 359 R HN 0.411 nan 8.270 nan 0.000 0.436 360 C N 0.253 119.631 119.300 0.130 0.000 2.436 360 C HA -0.093 4.366 4.460 -0.001 0.000 0.277 360 C C 2.133 177.143 174.990 0.034 0.000 1.241 360 C CA 0.930 60.007 59.018 0.098 0.000 1.721 360 C CB -1.264 26.536 27.740 0.099 0.000 2.043 360 C HN 0.617 nan 8.230 nan 0.000 0.472 361 N N 0.610 119.320 118.700 0.017 0.000 2.069 361 N HA -0.246 4.494 4.740 -0.001 0.000 0.196 361 N C 1.574 177.076 175.510 -0.012 0.000 1.024 361 N CA 1.473 54.522 53.050 -0.002 0.000 0.869 361 N CB -0.336 38.151 38.487 0.001 0.000 1.035 361 N HN 0.388 nan 8.380 nan 0.000 0.434 362 L N 0.998 122.222 121.223 0.003 0.000 2.012 362 L HA -0.151 4.188 4.340 -0.001 0.000 0.210 362 L C 2.227 179.090 176.870 -0.011 0.000 1.073 362 L CA 1.541 56.382 54.840 0.001 0.000 0.748 362 L CB -0.344 41.724 42.059 0.015 0.000 0.891 362 L HN 0.128 nan 8.230 nan 0.000 0.431 363 A N -1.250 121.571 122.820 0.001 0.000 2.119 363 A HA 0.239 4.559 4.320 -0.001 0.000 0.216 363 A C 1.637 179.198 177.584 -0.039 0.000 1.152 363 A CA 0.747 52.778 52.037 -0.011 0.000 0.708 363 A CB -0.825 18.176 19.000 0.002 0.000 0.805 363 A HN 0.715 nan 8.150 nan 0.000 0.460 364 G N -0.559 108.209 108.800 -0.054 0.000 2.198 364 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.257 364 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.257 364 G C -0.030 174.839 174.900 -0.051 0.000 1.042 364 G CA 0.561 45.612 45.100 -0.082 0.000 0.791 364 G HN 0.575 nan 8.290 nan 0.000 0.502 365 K N 0.145 120.530 120.400 -0.026 0.000 2.203 365 K HA 0.493 4.812 4.320 -0.001 0.000 0.251 365 K C -2.633 173.966 176.600 -0.003 0.000 0.944 365 K CA -2.178 54.100 56.287 -0.015 0.000 0.829 365 K CB 2.119 34.609 32.500 -0.016 0.000 1.125 365 K HN -0.059 nan 8.250 nan 0.000 0.430 366 P HA -0.009 nan 4.420 nan 0.000 0.266 366 P C -0.971 176.338 177.300 0.015 0.000 1.195 366 P CA -0.247 62.858 63.100 0.010 0.000 0.768 366 P CB 0.628 32.343 31.700 0.025 0.000 0.838 367 V N 4.658 124.578 119.914 0.010 0.000 2.588 367 V HA 0.393 4.513 4.120 -0.001 0.000 0.304 367 V C -0.850 175.232 176.094 -0.019 0.000 1.042 367 V CA -0.825 61.478 62.300 0.006 0.000 0.877 367 V CB 2.319 34.154 31.823 0.021 0.000 0.996 367 V HN 0.138 nan 8.190 nan 0.000 0.425 368 V N 6.067 125.948 119.914 -0.055 0.000 2.435 368 V HA 0.424 4.543 4.120 -0.001 0.000 0.290 368 V C 0.116 176.156 176.094 -0.090 0.000 1.030 368 V CA -0.525 61.720 62.300 -0.092 0.000 0.881 368 V CB 1.471 33.172 31.823 -0.204 0.000 0.983 368 V HN 1.023 nan 8.190 nan 0.000 0.445 369 C N 5.483 124.744 119.300 -0.065 0.000 2.330 369 C HA 0.892 5.351 4.460 -0.001 0.000 0.344 369 C C 0.420 175.372 174.990 -0.063 0.000 1.273 369 C CA -0.102 58.882 59.018 -0.056 0.000 1.879 369 C CB -0.322 27.401 27.740 -0.028 0.000 2.376 369 C HN 1.085 nan 8.230 nan 0.000 0.534 370 A N 4.348 127.128 122.820 -0.067 0.000 2.498 370 A HA 0.907 5.226 4.320 -0.001 0.000 0.298 370 A C -0.212 177.349 177.584 -0.038 0.000 1.075 370 A CA -0.139 51.859 52.037 -0.065 0.000 0.714 370 A CB 1.076 20.008 19.000 -0.113 0.000 1.299 370 A HN 1.465 nan 8.150 nan 0.000 0.407 371 T N 1.296 115.839 114.554 -0.019 0.000 0.643 371 T HA -0.089 4.261 4.350 -0.001 0.000 0.764 371 T C 0.094 174.797 174.700 0.005 0.000 0.990 371 T CA 0.731 62.828 62.100 -0.005 0.000 4.027 371 T CB -1.326 67.533 68.868 -0.014 0.000 2.276 371 T HN 1.563 nan 8.240 nan 0.000 0.395 372 Q N 0.012 119.822 119.800 0.015 0.000 2.481 372 Q HA -0.257 4.082 4.340 -0.001 0.000 0.258 372 Q C 1.503 177.514 176.000 0.017 0.000 0.961 372 Q CA 1.472 57.286 55.803 0.019 0.000 1.121 372 Q CB -1.101 27.647 28.738 0.017 0.000 1.503 372 Q HN 0.860 nan 8.270 nan 0.000 0.544 373 M N -0.811 118.799 119.600 0.016 0.000 2.358 373 M HA -0.110 4.369 4.480 -0.001 0.000 0.264 373 M C 0.433 176.744 176.300 0.018 0.000 1.064 373 M CA 1.104 56.413 55.300 0.015 0.000 1.093 373 M CB 0.215 32.823 32.600 0.013 0.000 1.401 373 M HN 0.117 nan 8.290 nan 0.000 0.440 374 L N -0.557 120.680 121.223 0.024 0.000 3.132 374 L HA 0.192 4.531 4.340 -0.001 0.000 0.333 374 L C 1.094 177.984 176.870 0.033 0.000 1.293 374 L CA 0.107 54.962 54.840 0.026 0.000 0.809 374 L CB 0.058 42.135 42.059 0.031 0.000 1.244 374 L HN -0.007 nan 8.230 nan 0.000 0.586 375 E N 0.197 120.416 120.200 0.031 0.000 2.070 375 E HA -0.239 4.110 4.350 -0.001 0.000 0.197 375 E C 1.993 178.619 176.600 0.043 0.000 1.004 375 E CA 1.776 58.199 56.400 0.037 0.000 0.805 375 E CB 0.170 29.889 29.700 0.031 0.000 0.744 375 E HN 0.613 nan 8.360 nan 0.000 0.451 376 S N 0.510 116.230 115.700 0.033 0.000 2.420 376 S HA -0.162 4.307 4.470 -0.001 0.000 0.237 376 S C 2.016 176.647 174.600 0.050 0.000 1.023 376 S CA 1.160 59.380 58.200 0.033 0.000 0.991 376 S CB -0.370 62.839 63.200 0.015 0.000 0.792 376 S HN 0.208 nan 8.310 nan 0.000 0.488 377 M N 0.524 120.156 119.600 0.053 0.000 2.460 377 M HA 0.101 4.581 4.480 -0.001 0.000 0.263 377 M C 1.866 178.281 176.300 0.192 0.000 1.071 377 M CA 0.913 56.266 55.300 0.089 0.000 1.096 377 M CB -0.677 31.962 32.600 0.065 0.000 1.408 377 M HN 0.331 nan 8.290 nan 0.000 0.463 378 I N -0.286 120.365 120.570 0.135 0.000 2.399 378 I HA -0.303 3.866 4.170 -0.001 0.000 0.254 378 I C 1.856 178.074 176.117 0.169 0.000 1.146 378 I CA 1.264 62.641 61.300 0.127 0.000 1.412 378 I CB -0.223 37.823 38.000 0.075 0.000 1.076 378 I HN 0.271 nan 8.210 nan 0.000 0.432 379 T N -1.102 113.572 114.554 0.199 0.000 2.993 379 T HA 0.216 4.565 4.350 -0.001 0.000 0.260 379 T C 0.210 175.084 174.700 0.291 0.000 0.939 379 T CA -0.104 62.118 62.100 0.203 0.000 0.886 379 T CB 0.550 69.483 68.868 0.109 0.000 1.209 379 T HN 0.072 nan 8.240 nan 0.000 0.518 380 K N 1.316 121.838 120.400 0.202 0.000 2.426 380 K HA 0.399 4.719 4.320 -0.001 0.000 0.251 380 K C -2.446 173.885 176.600 -0.448 0.000 0.941 380 K CA -2.129 54.143 56.287 -0.025 0.000 0.808 380 K CB 2.346 34.825 32.500 -0.035 0.000 1.265 380 K HN -0.290 nan 8.250 nan 0.000 0.432 381 P HA -0.008 nan 4.420 nan 0.000 0.236 381 P C -0.426 176.603 177.300 -0.451 0.000 1.177 381 P CA 0.633 63.075 63.100 -1.095 0.000 0.773 381 P CB 0.454 31.630 31.700 -0.873 0.000 0.878 382 R N 0.124 120.462 120.500 -0.269 0.000 2.750 382 R HA 0.504 4.843 4.340 -0.001 0.000 0.281 382 R C -2.708 173.538 176.300 -0.090 0.000 0.972 382 R CA -2.517 53.496 56.100 -0.144 0.000 0.912 382 R CB 0.667 30.902 30.300 -0.107 0.000 1.187 382 R HN -0.022 nan 8.270 nan 0.000 0.464 383 P HA 0.160 nan 4.420 nan 0.000 0.278 383 P C -0.182 177.103 177.300 -0.024 0.000 1.258 383 P CA -0.338 62.744 63.100 -0.030 0.000 0.811 383 P CB 0.526 32.216 31.700 -0.016 0.000 1.063 384 T N -1.191 113.354 114.554 -0.014 0.000 2.849 384 T HA 0.213 4.562 4.350 -0.001 0.000 0.284 384 T C 1.429 176.121 174.700 -0.013 0.000 1.004 384 T CA -0.686 61.407 62.100 -0.013 0.000 1.021 384 T CB 0.457 69.320 68.868 -0.007 0.000 1.013 384 T HN 0.196 nan 8.240 nan 0.000 0.527 385 R N 0.986 121.478 120.500 -0.013 0.000 2.152 385 R HA 0.004 4.343 4.340 -0.001 0.000 0.232 385 R C 2.466 178.758 176.300 -0.013 0.000 1.117 385 R CA 1.265 57.356 56.100 -0.014 0.000 0.981 385 R CB -1.587 28.703 30.300 -0.016 0.000 0.870 385 R HN 0.844 nan 8.270 nan 0.000 0.451 386 A N 1.200 124.013 122.820 -0.011 0.000 2.014 386 A HA -0.107 4.212 4.320 -0.001 0.000 0.218 386 A C 1.933 179.513 177.584 -0.006 0.000 1.163 386 A CA 0.915 52.945 52.037 -0.011 0.000 0.652 386 A CB -0.109 18.885 19.000 -0.011 0.000 0.808 386 A HN 0.324 nan 8.150 nan 0.000 0.449 387 E N -1.049 119.149 120.200 -0.004 0.000 2.072 387 E HA -0.090 4.259 4.350 -0.001 0.000 0.190 387 E C 2.006 178.607 176.600 0.001 0.000 0.982 387 E CA 1.326 57.726 56.400 0.001 0.000 0.803 387 E CB -0.283 29.419 29.700 0.004 0.000 0.755 387 E HN 0.478 nan 8.360 nan 0.000 0.453 388 T N 0.585 115.138 114.554 -0.002 0.000 2.652 388 T HA -0.222 4.128 4.350 -0.001 0.000 0.267 388 T C 2.138 176.837 174.700 -0.001 0.000 1.039 388 T CA 1.835 63.934 62.100 -0.002 0.000 1.153 388 T CB -0.357 68.507 68.868 -0.007 0.000 0.863 388 T HN 0.243 nan 8.240 nan 0.000 0.428 389 S N 0.846 116.543 115.700 -0.005 0.000 2.399 389 S HA -0.166 4.303 4.470 -0.001 0.000 0.231 389 S C 1.827 176.428 174.600 0.001 0.000 1.022 389 S CA 1.928 60.126 58.200 -0.004 0.000 0.983 389 S CB -0.531 62.663 63.200 -0.011 0.000 0.803 389 S HN 0.487 nan 8.310 nan 0.000 0.480 390 D N 0.958 121.359 120.400 0.001 0.000 2.104 390 D HA -0.098 4.541 4.640 -0.001 0.000 0.194 390 D C 1.893 178.199 176.300 0.010 0.000 0.994 390 D CA 1.582 55.585 54.000 0.006 0.000 0.830 390 D CB -0.424 40.380 40.800 0.006 0.000 0.959 390 D HN 0.313 nan 8.370 nan 0.000 0.452 391 V N 0.963 120.883 119.914 0.010 0.000 2.233 391 V HA -0.265 3.855 4.120 -0.001 0.000 0.247 391 V C 2.626 178.728 176.094 0.014 0.000 1.050 391 V CA 2.047 64.354 62.300 0.012 0.000 1.010 391 V CB -1.206 30.624 31.823 0.012 0.000 0.637 391 V HN 0.344 nan 8.190 nan 0.000 0.444 392 A N 0.607 123.435 122.820 0.013 0.000 1.884 392 A HA -0.312 4.007 4.320 -0.001 0.000 0.219 392 A C 2.051 179.651 177.584 0.026 0.000 1.197 392 A CA 2.440 54.488 52.037 0.018 0.000 0.637 392 A CB -0.891 18.117 19.000 0.014 0.000 0.827 392 A HN 0.638 nan 8.150 nan 0.000 0.450 393 N N 0.107 118.822 118.700 0.024 0.000 2.289 393 N HA -0.090 4.649 4.740 -0.001 0.000 0.184 393 N C 1.842 177.369 175.510 0.029 0.000 1.016 393 N CA 1.301 54.370 53.050 0.032 0.000 0.872 393 N CB -0.453 38.050 38.487 0.027 0.000 0.973 393 N HN 0.529 nan 8.380 nan 0.000 0.433 394 A N 0.734 123.567 122.820 0.022 0.000 1.933 394 A HA -0.062 4.257 4.320 -0.001 0.000 0.218 394 A C 2.524 180.118 177.584 0.017 0.000 1.175 394 A CA 1.084 53.130 52.037 0.016 0.000 0.628 394 A CB -0.579 18.427 19.000 0.009 0.000 0.814 394 A HN 0.099 nan 8.150 nan 0.000 0.444 395 V N -0.391 119.536 119.914 0.022 0.000 2.323 395 V HA -0.154 3.965 4.120 -0.001 0.000 0.244 395 V C 2.418 178.532 176.094 0.033 0.000 1.041 395 V CA 1.510 63.825 62.300 0.026 0.000 1.025 395 V CB -0.563 31.277 31.823 0.029 0.000 0.656 395 V HN 0.461 nan 8.190 nan 0.000 0.451 396 L N -0.062 121.186 121.223 0.042 0.000 2.141 396 L HA -0.110 4.229 4.340 -0.001 0.000 0.209 396 L C 2.139 179.032 176.870 0.039 0.000 1.094 396 L CA 1.672 56.546 54.840 0.057 0.000 0.763 396 L CB -1.332 40.778 42.059 0.085 0.000 0.908 396 L HN 0.353 nan 8.230 nan 0.000 0.437 397 D N -0.037 120.380 120.400 0.029 0.000 2.117 397 D HA -0.049 4.591 4.640 -0.001 0.000 0.197 397 D C 1.546 177.849 176.300 0.005 0.000 0.987 397 D CA 1.552 55.560 54.000 0.013 0.000 0.829 397 D CB 0.065 40.872 40.800 0.012 0.000 0.961 397 D HN 0.392 nan 8.370 nan 0.000 0.460 398 G N -0.516 108.290 108.800 0.011 0.000 2.188 398 G HA2 0.088 4.047 3.960 -0.001 0.000 0.112 398 G HA3 0.088 4.047 3.960 -0.001 0.000 0.112 398 G C 0.028 174.932 174.900 0.008 0.000 1.048 398 G CA 0.026 45.133 45.100 0.012 0.000 0.720 398 G HN 0.506 nan 8.290 nan 0.000 0.487 399 A N -0.002 122.822 122.820 0.006 0.000 2.363 399 A HA 0.627 4.946 4.320 -0.001 0.000 0.270 399 A C 1.140 178.725 177.584 0.002 0.000 1.121 399 A CA 0.430 52.467 52.037 0.000 0.000 0.800 399 A CB 0.480 19.478 19.000 -0.004 0.000 1.052 399 A HN 0.184 nan 8.150 nan 0.000 0.493 400 D N 0.578 120.977 120.400 -0.001 0.000 2.103 400 D HA -0.023 4.617 4.640 -0.001 0.000 0.199 400 D C 0.216 176.516 176.300 -0.000 0.000 0.978 400 D CA 1.417 55.415 54.000 -0.003 0.000 0.829 400 D CB 0.069 40.868 40.800 -0.002 0.000 0.981 400 D HN 0.568 nan 8.370 nan 0.000 0.464 401 C N 0.865 120.165 119.300 0.001 0.000 2.707 401 C HA 0.661 5.120 4.460 -0.001 0.000 0.313 401 C C 0.137 175.125 174.990 -0.004 0.000 1.209 401 C CA -1.133 57.889 59.018 0.007 0.000 1.635 401 C CB 1.720 29.475 27.740 0.025 0.000 2.206 401 C HN 0.186 nan 8.230 nan 0.000 0.485 402 I N 0.085 120.658 120.570 0.005 0.000 2.603 402 I HA 0.753 4.923 4.170 -0.001 0.000 0.300 402 I C -0.689 175.434 176.117 0.009 0.000 1.017 402 I CA -0.719 60.582 61.300 0.002 0.000 1.098 402 I CB 1.558 39.564 38.000 0.011 0.000 1.279 402 I HN 0.694 nan 8.210 nan 0.000 0.437 403 M N 4.960 124.561 119.600 0.001 0.000 2.762 403 M HA 0.686 5.165 4.480 -0.001 0.000 0.306 403 M C -1.688 174.630 176.300 0.029 0.000 1.223 403 M CA -0.779 54.531 55.300 0.017 0.000 0.896 403 M CB 2.419 35.012 32.600 -0.012 0.000 1.684 403 M HN 0.629 nan 8.290 nan 0.000 0.491 404 L N 0.477 121.728 121.223 0.046 0.000 2.409 404 L HA 0.549 4.889 4.340 -0.001 0.000 0.262 404 L C -0.487 176.419 176.870 0.060 0.000 0.992 404 L CA -0.330 54.540 54.840 0.050 0.000 0.817 404 L CB 2.391 44.482 42.059 0.055 0.000 1.350 404 L HN 0.786 nan 8.230 nan 0.000 0.411 405 S N 0.269 116.003 115.700 0.056 0.000 3.420 405 S HA 0.172 4.642 4.470 -0.001 0.000 0.173 405 S C 1.536 176.172 174.600 0.059 0.000 0.800 405 S CA 0.386 58.626 58.200 0.065 0.000 0.963 405 S CB -0.340 62.898 63.200 0.063 0.000 1.236 405 S HN 0.872 nan 8.310 nan 0.000 0.827 406 G N 1.733 110.563 108.800 0.051 0.000 2.547 406 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.221 406 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.221 406 G C 1.024 175.953 174.900 0.049 0.000 1.140 406 G CA 1.713 46.838 45.100 0.043 0.000 0.760 406 G HN 0.554 nan 8.290 nan 0.000 0.583 407 E N -0.135 120.100 120.200 0.057 0.000 2.160 407 E HA -0.063 4.286 4.350 -0.001 0.000 0.195 407 E C 2.708 179.350 176.600 0.070 0.000 0.991 407 E CA 1.756 58.199 56.400 0.071 0.000 0.810 407 E CB -0.271 29.472 29.700 0.072 0.000 0.742 407 E HN 0.645 nan 8.360 nan 0.000 0.466 408 T N -3.320 111.270 114.554 0.061 0.000 2.969 408 T HA 0.421 4.770 4.350 -0.001 0.000 0.250 408 T C 1.871 176.599 174.700 0.048 0.000 1.021 408 T CA 0.192 62.325 62.100 0.056 0.000 1.003 408 T CB 0.275 69.177 68.868 0.058 0.000 1.040 408 T HN 0.129 nan 8.240 nan 0.000 0.492 409 A N 2.735 125.584 122.820 0.050 0.000 1.898 409 A HA 0.178 4.497 4.320 -0.001 0.000 0.214 409 A C 2.043 179.642 177.584 0.024 0.000 1.183 409 A CA 1.128 53.194 52.037 0.047 0.000 0.622 409 A CB -0.156 18.877 19.000 0.056 0.000 0.824 409 A HN 0.601 nan 8.150 nan 0.000 0.444 410 K N -1.358 119.050 120.400 0.012 0.000 2.538 410 K HA 0.287 4.607 4.320 -0.001 0.000 0.215 410 K C 1.023 177.613 176.600 -0.015 0.000 1.345 410 K CA 0.350 56.633 56.287 -0.007 0.000 0.985 410 K CB 0.226 32.715 32.500 -0.017 0.000 1.116 410 K HN 0.284 nan 8.250 nan 0.000 0.582 411 G N 1.094 109.894 108.800 0.001 0.000 2.684 411 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.255 411 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.255 411 G C 0.104 174.954 174.900 -0.084 0.000 1.219 411 G CA -0.445 44.653 45.100 -0.003 0.000 0.901 411 G HN 0.071 nan 8.290 nan 0.000 0.548 412 N N -0.937 117.652 118.700 -0.184 0.000 2.398 412 N HA 0.062 4.801 4.740 -0.001 0.000 0.188 412 N C -0.288 174.649 175.510 -0.954 0.000 1.122 412 N CA 0.436 53.151 53.050 -0.558 0.000 0.866 412 N CB 0.280 38.352 38.487 -0.691 0.000 0.970 412 N HN 0.397 nan 8.380 nan 0.000 0.462 413 F N 0.089 120.048 119.950 0.016 0.000 2.566 413 F HA 0.341 4.868 4.527 -0.001 0.000 0.347 413 F C -1.652 174.160 175.800 0.020 0.000 1.515 413 F CA -1.569 56.442 58.000 0.017 0.000 1.103 413 F CB 1.516 40.526 39.000 0.017 0.000 1.385 413 F HN -0.144 nan 8.300 nan 0.000 0.560 414 P HA -0.131 nan 4.420 nan 0.000 0.216 414 P C 1.768 179.122 177.300 0.091 0.000 1.153 414 P CA 1.219 64.370 63.100 0.085 0.000 0.848 414 P CB 0.557 32.284 31.700 0.044 0.000 0.787 415 V N 0.670 120.638 119.914 0.090 0.000 2.270 415 V HA -0.213 3.906 4.120 -0.001 0.000 0.245 415 V C 2.545 178.694 176.094 0.091 0.000 1.043 415 V CA 2.096 64.442 62.300 0.077 0.000 1.014 415 V CB -1.472 30.392 31.823 0.067 0.000 0.645 415 V HN 0.052 nan 8.190 nan 0.000 0.447 416 E N 0.825 121.105 120.200 0.134 0.000 2.097 416 E HA -0.239 4.110 4.350 -0.001 0.000 0.196 416 E C 2.230 178.881 176.600 0.085 0.000 1.000 416 E CA 1.676 58.142 56.400 0.109 0.000 0.804 416 E CB -0.656 29.116 29.700 0.120 0.000 0.740 416 E HN 0.591 nan 8.360 nan 0.000 0.454 417 A N 0.459 123.343 122.820 0.108 0.000 1.908 417 A HA -0.194 4.126 4.320 -0.001 0.000 0.218 417 A C 2.500 180.126 177.584 0.071 0.000 1.181 417 A CA 1.650 53.737 52.037 0.084 0.000 0.627 417 A CB -0.766 18.291 19.000 0.095 0.000 0.818 417 A HN 0.162 nan 8.150 nan 0.000 0.445 418 V N 0.077 120.033 119.914 0.069 0.000 2.307 418 V HA -0.262 3.857 4.120 -0.001 0.000 0.245 418 V C 2.417 178.558 176.094 0.078 0.000 1.045 418 V CA 2.278 64.615 62.300 0.062 0.000 1.024 418 V CB -0.707 31.141 31.823 0.042 0.000 0.651 418 V HN 0.543 nan 8.190 nan 0.000 0.449 419 K N -0.617 119.825 120.400 0.070 0.000 2.074 419 K HA -0.280 4.039 4.320 -0.001 0.000 0.209 419 K C 2.143 178.819 176.600 0.126 0.000 1.048 419 K CA 2.123 58.464 56.287 0.091 0.000 0.926 419 K CB -0.319 32.219 32.500 0.064 0.000 0.713 419 K HN 0.326 nan 8.250 nan 0.000 0.444 420 M N 1.442 121.092 119.600 0.083 0.000 2.077 420 M HA -0.188 4.291 4.480 -0.001 0.000 0.261 420 M C 1.983 178.323 176.300 0.067 0.000 1.070 420 M CA 1.689 57.026 55.300 0.062 0.000 1.125 420 M CB -0.063 32.558 32.600 0.034 0.000 1.339 420 M HN 0.053 nan 8.290 nan 0.000 0.409 421 Q N -1.373 118.470 119.800 0.072 0.000 2.135 421 Q HA -0.283 4.057 4.340 -0.001 0.000 0.204 421 Q C 2.109 178.158 176.000 0.082 0.000 0.981 421 Q CA 2.129 57.971 55.803 0.064 0.000 0.856 421 Q CB -0.739 28.035 28.738 0.061 0.000 0.902 421 Q HN 0.736 nan 8.270 nan 0.000 0.425 422 H N 0.654 119.741 119.070 0.028 0.000 2.289 422 H HA -0.150 4.406 4.556 -0.001 0.000 0.296 422 H C 1.935 177.285 175.328 0.038 0.000 1.091 422 H CA 2.265 58.334 56.048 0.036 0.000 1.274 422 H CB -0.179 29.605 29.762 0.036 0.000 1.364 422 H HN 0.250 nan 8.280 nan 0.000 0.490 423 A N 0.465 123.276 122.820 -0.016 0.000 1.877 423 A HA -0.089 4.230 4.320 -0.001 0.000 0.216 423 A C 2.610 180.146 177.584 -0.080 0.000 1.186 423 A CA 1.716 53.709 52.037 -0.074 0.000 0.620 423 A CB -0.821 18.198 19.000 0.031 0.000 0.822 423 A HN 0.529 nan 8.150 nan 0.000 0.443 424 I N -0.061 120.489 120.570 -0.033 0.000 2.179 424 I HA -0.257 3.912 4.170 -0.001 0.000 0.242 424 I C 2.938 179.036 176.117 -0.031 0.000 1.088 424 I CA 1.135 62.422 61.300 -0.022 0.000 1.357 424 I CB -0.439 37.559 38.000 -0.003 0.000 1.051 424 I HN 0.317 nan 8.210 nan 0.000 0.409 425 A N 0.878 123.675 122.820 -0.038 0.000 1.978 425 A HA -0.199 4.121 4.320 -0.001 0.000 0.220 425 A C 2.438 180.000 177.584 -0.037 0.000 1.170 425 A CA 1.459 53.481 52.037 -0.025 0.000 0.636 425 A CB -0.564 18.431 19.000 -0.008 0.000 0.810 425 A HN 0.319 nan 8.150 nan 0.000 0.448 426 R N -0.475 119.964 120.500 -0.102 0.000 2.073 426 R HA -0.112 4.227 4.340 -0.001 0.000 0.234 426 R C 2.054 178.339 176.300 -0.026 0.000 1.134 426 R CA 1.384 57.435 56.100 -0.082 0.000 0.952 426 R CB -0.397 29.805 30.300 -0.163 0.000 0.850 426 R HN 0.566 nan 8.270 nan 0.000 0.433 427 E N 0.788 120.971 120.200 -0.028 0.000 2.038 427 E HA -0.177 4.172 4.350 -0.001 0.000 0.195 427 E C 2.037 178.649 176.600 0.019 0.000 1.000 427 E CA 1.484 57.882 56.400 -0.003 0.000 0.803 427 E CB -0.314 29.381 29.700 -0.009 0.000 0.750 427 E HN 0.316 nan 8.360 nan 0.000 0.448 428 A N 1.386 124.217 122.820 0.018 0.000 1.902 428 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 428 A C 2.085 179.704 177.584 0.057 0.000 1.181 428 A CA 1.750 53.809 52.037 0.037 0.000 0.623 428 A CB -0.583 18.435 19.000 0.030 0.000 0.818 428 A HN 0.216 nan 8.150 nan 0.000 0.443 429 E N -0.190 120.044 120.200 0.057 0.000 2.114 429 E HA -0.198 4.151 4.350 -0.001 0.000 0.199 429 E C 2.159 178.839 176.600 0.134 0.000 1.008 429 E CA 1.396 57.850 56.400 0.090 0.000 0.810 429 E CB -0.336 29.416 29.700 0.086 0.000 0.739 429 E HN 0.628 nan 8.360 nan 0.000 0.456 430 A N 0.535 123.424 122.820 0.116 0.000 2.125 430 A HA -0.031 4.288 4.320 -0.001 0.000 0.219 430 A C 2.130 179.811 177.584 0.161 0.000 1.156 430 A CA 1.504 53.627 52.037 0.144 0.000 0.671 430 A CB -0.298 18.757 19.000 0.092 0.000 0.794 430 A HN 0.282 nan 8.150 nan 0.000 0.459 431 A N -0.887 122.011 122.820 0.131 0.000 2.267 431 A HA 0.460 4.779 4.320 -0.001 0.000 0.213 431 A C 0.718 178.452 177.584 0.250 0.000 1.192 431 A CA -0.062 52.079 52.037 0.173 0.000 0.851 431 A CB -0.184 18.872 19.000 0.094 0.000 0.881 431 A HN 0.196 nan 8.150 nan 0.000 0.494 432 V N 0.797 120.755 119.914 0.074 0.000 2.557 432 V HA -0.118 4.001 4.120 -0.001 0.000 0.301 432 V C 0.433 176.396 176.094 -0.220 0.000 1.026 432 V CA 0.313 62.549 62.300 -0.107 0.000 1.137 432 V CB -0.227 31.389 31.823 -0.345 0.000 0.917 432 V HN 0.488 nan 8.190 nan 0.000 0.484 433 Y N 6.352 126.448 120.300 -0.341 0.000 2.623 433 Y HA 0.172 4.721 4.550 -0.002 0.000 0.341 433 Y C 1.647 177.412 175.900 -0.225 0.000 1.292 433 Y CA -0.589 57.240 58.100 -0.452 0.000 1.840 433 Y CB -0.808 37.369 38.460 -0.472 0.000 1.865 433 Y HN 0.735 nan 8.280 nan 0.000 0.440 434 H N 2.041 121.077 119.070 -0.055 0.000 2.353 434 H HA -0.251 4.303 4.556 -0.002 0.000 0.298 434 H C 2.303 177.462 175.328 -0.282 0.000 1.103 434 H CA 1.920 57.925 56.048 -0.071 0.000 1.293 434 H CB 0.063 29.879 29.762 0.089 0.000 1.372 434 H HN 0.547 nan 8.280 nan 0.000 0.501 435 R N 1.014 121.287 120.500 -0.378 0.000 2.143 435 R HA -0.262 4.078 4.340 -0.001 0.000 0.239 435 R C 2.446 178.459 176.300 -0.479 0.000 1.126 435 R CA 2.418 58.217 56.100 -0.502 0.000 0.927 435 R CB -0.299 29.629 30.300 -0.620 0.000 0.860 435 R HN 0.408 nan 8.270 nan 0.000 0.433 436 Q N -0.152 119.205 119.800 -0.738 0.000 2.050 436 Q HA -0.187 4.152 4.340 -0.001 0.000 0.202 436 Q C 2.250 178.160 176.000 -0.151 0.000 0.980 436 Q CA 1.697 57.300 55.803 -0.333 0.000 0.840 436 Q CB -0.153 28.502 28.738 -0.138 0.000 0.898 436 Q HN 0.369 nan 8.270 nan 0.000 0.424 437 L N 0.287 121.442 121.223 -0.113 0.000 1.971 437 L HA -0.201 4.138 4.340 -0.001 0.000 0.215 437 L C 2.116 179.066 176.870 0.132 0.000 1.072 437 L CA 1.902 56.753 54.840 0.017 0.000 0.758 437 L CB -1.112 40.974 42.059 0.045 0.000 0.889 437 L HN 0.340 nan 8.230 nan 0.000 0.433 438 F N 0.853 120.769 119.950 -0.057 0.000 2.069 438 F HA -0.214 4.313 4.527 -0.000 0.000 0.298 438 F C 2.481 178.250 175.800 -0.053 0.000 1.113 438 F CA 2.044 60.024 58.000 -0.032 0.000 1.214 438 F CB -0.745 38.138 39.000 -0.196 0.000 0.978 438 F HN 0.311 nan 8.300 nan 0.000 0.474 439 E N -0.023 120.093 120.200 -0.140 0.000 2.070 439 E HA -0.254 4.095 4.350 -0.001 0.000 0.197 439 E C 2.125 178.646 176.600 -0.132 0.000 1.004 439 E CA 1.806 58.063 56.400 -0.240 0.000 0.805 439 E CB -0.301 29.286 29.700 -0.188 0.000 0.744 439 E HN 0.580 nan 8.360 nan 0.000 0.451 440 E N 0.466 120.634 120.200 -0.054 0.000 2.077 440 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 440 E C 2.348 178.960 176.600 0.020 0.000 0.989 440 E CA 0.721 57.108 56.400 -0.022 0.000 0.800 440 E CB -0.120 29.569 29.700 -0.018 0.000 0.746 440 E HN 0.246 nan 8.360 nan 0.000 0.452 441 L N 0.826 122.102 121.223 0.087 0.000 1.976 441 L HA -0.200 4.139 4.340 -0.001 0.000 0.209 441 L C 2.658 179.637 176.870 0.182 0.000 1.071 441 L CA 1.342 56.279 54.840 0.163 0.000 0.746 441 L CB -0.565 41.663 42.059 0.282 0.000 0.890 441 L HN 0.046 nan 8.230 nan 0.000 0.432 442 R N -0.040 120.543 120.500 0.139 0.000 2.136 442 R HA -0.263 4.076 4.340 -0.001 0.000 0.242 442 R C 2.411 178.713 176.300 0.003 0.000 1.131 442 R CA 1.909 58.020 56.100 0.018 0.000 0.937 442 R CB -0.755 29.384 30.300 -0.269 0.000 0.863 442 R HN 0.312 nan 8.270 nan 0.000 0.435 443 R N 0.134 120.607 120.500 -0.045 0.000 2.103 443 R HA -0.169 4.170 4.340 -0.001 0.000 0.242 443 R C 2.280 178.577 176.300 -0.004 0.000 1.142 443 R CA 1.766 57.844 56.100 -0.038 0.000 0.960 443 R CB -0.204 30.066 30.300 -0.051 0.000 0.858 443 R HN 0.346 nan 8.270 nan 0.000 0.439 444 A N 0.477 123.307 122.820 0.017 0.000 1.911 444 A HA 0.261 4.580 4.320 -0.001 0.000 0.212 444 A C 0.979 178.585 177.584 0.036 0.000 1.189 444 A CA 0.556 52.605 52.037 0.021 0.000 0.639 444 A CB -0.193 18.819 19.000 0.020 0.000 0.839 444 A HN 0.370 nan 8.150 nan 0.000 0.449 445 A N 1.924 124.785 122.820 0.069 0.000 2.548 445 A HA 0.465 4.784 4.320 -0.001 0.000 0.247 445 A C -1.855 175.772 177.584 0.072 0.000 1.067 445 A CA -0.815 51.275 52.037 0.087 0.000 0.757 445 A CB -0.527 18.577 19.000 0.174 0.000 0.996 445 A HN 0.403 nan 8.150 nan 0.000 0.504 446 P HA 0.223 nan 4.420 nan 0.000 0.272 446 P C 0.098 177.427 177.300 0.048 0.000 1.230 446 P CA -0.333 62.790 63.100 0.039 0.000 0.788 446 P CB 0.380 32.097 31.700 0.029 0.000 0.949 447 L N 0.148 121.390 121.223 0.032 0.000 2.477 447 L HA 0.101 4.440 4.340 -0.001 0.000 0.289 447 L C 1.140 178.035 176.870 0.041 0.000 1.279 447 L CA 0.848 55.706 54.840 0.031 0.000 0.825 447 L CB -0.521 41.549 42.059 0.018 0.000 1.085 447 L HN 0.496 nan 8.230 nan 0.000 0.548 448 S N -0.922 114.803 115.700 0.041 0.000 2.537 448 S HA 0.507 4.976 4.470 -0.001 0.000 0.270 448 S C -0.138 174.485 174.600 0.037 0.000 1.142 448 S CA -0.747 57.481 58.200 0.046 0.000 0.870 448 S CB 1.911 65.154 63.200 0.071 0.000 1.112 448 S HN 0.612 nan 8.310 nan 0.000 0.466 449 R N 1.178 121.698 120.500 0.033 0.000 2.446 449 R HA 0.299 4.638 4.340 -0.001 0.000 0.254 449 R C -0.559 175.762 176.300 0.034 0.000 0.918 449 R CA -0.002 56.115 56.100 0.028 0.000 1.069 449 R CB 0.294 30.607 30.300 0.021 0.000 1.194 449 R HN 0.630 nan 8.270 nan 0.000 0.534 450 D N 0.561 120.984 120.400 0.038 0.000 2.338 450 D HA 0.060 4.699 4.640 -0.001 0.000 0.255 450 D C -1.717 174.615 176.300 0.055 0.000 1.237 450 D CA -2.207 51.816 54.000 0.040 0.000 0.883 450 D CB 1.531 42.351 40.800 0.032 0.000 1.087 450 D HN -0.061 nan 8.370 nan 0.000 0.485 451 P HA -0.163 nan 4.420 nan 0.000 0.217 451 P C 1.096 178.448 177.300 0.087 0.000 1.148 451 P CA 1.351 64.500 63.100 0.081 0.000 0.834 451 P CB 0.185 31.954 31.700 0.115 0.000 0.783 452 T N -0.761 113.841 114.554 0.080 0.000 2.708 452 T HA -0.159 4.190 4.350 -0.001 0.000 0.266 452 T C 1.638 176.392 174.700 0.090 0.000 1.037 452 T CA 1.160 63.308 62.100 0.079 0.000 1.146 452 T CB -0.680 68.221 68.868 0.054 0.000 0.865 452 T HN 0.280 nan 8.240 nan 0.000 0.435 453 E N 0.612 120.869 120.200 0.096 0.000 2.038 453 E HA -0.124 4.225 4.350 -0.001 0.000 0.195 453 E C 2.483 179.158 176.600 0.126 0.000 1.000 453 E CA 1.252 57.738 56.400 0.144 0.000 0.803 453 E CB -0.392 29.395 29.700 0.145 0.000 0.750 453 E HN 0.293 nan 8.360 nan 0.000 0.448 454 V N 1.245 121.210 119.914 0.085 0.000 2.324 454 V HA -0.279 3.840 4.120 -0.001 0.000 0.250 454 V C 2.352 178.474 176.094 0.047 0.000 1.060 454 V CA 2.279 64.612 62.300 0.055 0.000 1.042 454 V CB -0.952 30.900 31.823 0.047 0.000 0.650 454 V HN 0.308 nan 8.190 nan 0.000 0.450 455 T N 0.034 114.626 114.554 0.064 0.000 2.896 455 T HA 0.010 4.359 4.350 -0.001 0.000 0.263 455 T C 2.103 176.835 174.700 0.054 0.000 1.050 455 T CA 1.235 63.370 62.100 0.059 0.000 1.140 455 T CB -0.362 68.551 68.868 0.075 0.000 0.877 455 T HN 0.565 nan 8.240 nan 0.000 0.457 456 A N 1.808 124.676 122.820 0.080 0.000 1.849 456 A HA -0.076 4.244 4.320 -0.001 0.000 0.217 456 A C 2.289 179.905 177.584 0.053 0.000 1.202 456 A CA 1.525 53.623 52.037 0.102 0.000 0.629 456 A CB -1.054 18.062 19.000 0.193 0.000 0.834 456 A HN 0.491 nan 8.150 nan 0.000 0.447 457 I N -0.539 120.011 120.570 -0.033 0.000 2.208 457 I HA -0.216 3.953 4.170 -0.001 0.000 0.245 457 I C 2.393 178.482 176.117 -0.046 0.000 1.097 457 I CA 1.542 62.700 61.300 -0.238 0.000 1.363 457 I CB -0.517 37.194 38.000 -0.482 0.000 1.051 457 I HN 0.384 nan 8.210 nan 0.000 0.413 458 G N 0.191 108.984 108.800 -0.012 0.000 2.476 458 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.218 458 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.218 458 G C 1.733 176.648 174.900 0.025 0.000 1.164 458 G CA 0.859 45.970 45.100 0.018 0.000 0.768 458 G HN 0.572 nan 8.290 nan 0.000 0.560 459 A N -0.050 122.777 122.820 0.012 0.000 1.898 459 A HA 0.101 4.420 4.320 -0.001 0.000 0.216 459 A C 2.621 180.182 177.584 -0.038 0.000 1.181 459 A CA 1.833 53.867 52.037 -0.005 0.000 0.620 459 A CB -0.641 18.358 19.000 -0.002 0.000 0.819 459 A HN 0.276 nan 8.150 nan 0.000 0.442 460 V N 0.182 120.068 119.914 -0.048 0.000 2.332 460 V HA -0.269 3.850 4.120 -0.001 0.000 0.248 460 V C 2.615 178.699 176.094 -0.016 0.000 1.055 460 V CA 2.503 64.721 62.300 -0.136 0.000 1.038 460 V CB -0.743 30.979 31.823 -0.168 0.000 0.651 460 V HN 0.761 nan 8.190 nan 0.000 0.450 461 E N 0.877 121.170 120.200 0.155 0.000 2.077 461 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 461 E C 2.101 178.811 176.600 0.184 0.000 0.989 461 E CA 1.783 58.366 56.400 0.304 0.000 0.800 461 E CB -0.494 29.352 29.700 0.244 0.000 0.746 461 E HN 0.510 nan 8.360 nan 0.000 0.452 462 A N 0.734 123.601 122.820 0.078 0.000 1.930 462 A HA 0.017 4.337 4.320 -0.001 0.000 0.217 462 A C 2.445 180.036 177.584 0.011 0.000 1.175 462 A CA 1.888 53.951 52.037 0.044 0.000 0.627 462 A CB -0.999 18.011 19.000 0.018 0.000 0.815 462 A HN 0.402 nan 8.150 nan 0.000 0.443 463 A N -0.973 121.811 122.820 -0.060 0.000 1.908 463 A HA -0.077 4.242 4.320 -0.001 0.000 0.218 463 A C 2.019 179.503 177.584 -0.166 0.000 1.181 463 A CA 1.527 53.465 52.037 -0.166 0.000 0.627 463 A CB -0.812 18.003 19.000 -0.308 0.000 0.818 463 A HN 0.505 nan 8.150 nan 0.000 0.445 464 F N -0.204 119.705 119.950 -0.069 0.000 2.134 464 F HA -0.163 4.364 4.527 0.000 0.000 0.299 464 F C 2.345 178.139 175.800 -0.011 0.000 1.097 464 F CA 1.731 59.701 58.000 -0.051 0.000 1.264 464 F CB -0.014 38.974 39.000 -0.020 0.000 1.001 464 F HN 0.137 nan 8.300 nan 0.000 0.479 465 K N 0.602 121.117 120.400 0.193 0.000 2.209 465 K HA -0.164 4.155 4.320 -0.001 0.000 0.204 465 K C 1.501 178.144 176.600 0.072 0.000 1.048 465 K CA 1.639 57.997 56.287 0.118 0.000 0.940 465 K CB -0.495 32.058 32.500 0.090 0.000 0.729 465 K HN 0.437 nan 8.250 nan 0.000 0.451 466 C N -2.898 116.429 119.300 0.044 0.000 3.125 466 C HA 0.447 4.907 4.460 -0.001 0.000 0.284 466 C C 0.460 175.453 174.990 0.006 0.000 1.386 466 C CA -0.793 58.237 59.018 0.021 0.000 1.763 466 C CB -1.758 25.986 27.740 0.007 0.000 2.377 466 C HN 0.402 nan 8.230 nan 0.000 0.620 467 C N 2.270 121.573 119.300 0.006 0.000 4.167 467 C HA 0.026 4.485 4.460 -0.001 0.000 0.302 467 C C 1.396 176.352 174.990 -0.058 0.000 1.384 467 C CA 0.355 59.360 59.018 -0.022 0.000 2.041 467 C CB -3.306 24.439 27.740 0.007 0.000 1.303 467 C HN 1.175 nan 8.230 nan 0.000 0.718 468 A N 0.194 122.962 122.820 -0.086 0.000 2.587 468 A HA 0.424 4.743 4.320 -0.001 0.000 0.235 468 A C 1.420 178.943 177.584 -0.102 0.000 1.044 468 A CA 0.997 52.981 52.037 -0.089 0.000 0.754 468 A CB 0.272 19.207 19.000 -0.108 0.000 0.968 468 A HN 1.880 nan 8.150 nan 0.000 0.509 469 A N 2.235 125.012 122.820 -0.072 0.000 1.969 469 A HA 0.409 4.728 4.320 -0.001 0.000 0.218 469 A C 1.232 178.754 177.584 -0.102 0.000 1.169 469 A CA 1.919 53.913 52.037 -0.072 0.000 0.635 469 A CB -0.345 18.634 19.000 -0.037 0.000 0.810 469 A HN 2.381 nan 8.150 nan 0.000 0.445 470 A N -1.564 121.200 122.820 -0.093 0.000 2.612 470 A HA 0.654 4.973 4.320 -0.001 0.000 0.293 470 A C -1.202 176.332 177.584 -0.084 0.000 1.075 470 A CA -0.558 51.420 52.037 -0.098 0.000 0.680 470 A CB 0.630 19.587 19.000 -0.072 0.000 1.279 470 A HN 0.240 nan 8.150 nan 0.000 0.411 471 I N 1.698 122.222 120.570 -0.078 0.000 2.355 471 I HA 0.355 4.524 4.170 -0.001 0.000 0.288 471 I C -0.695 175.408 176.117 -0.022 0.000 0.999 471 I CA -0.160 61.108 61.300 -0.054 0.000 1.163 471 I CB 1.298 39.259 38.000 -0.064 0.000 1.316 471 I HN 0.451 nan 8.210 nan 0.000 0.454 472 I N 7.285 127.848 120.570 -0.012 0.000 2.325 472 I HA 0.313 4.482 4.170 -0.001 0.000 0.291 472 I C -0.440 175.681 176.117 0.006 0.000 1.019 472 I CA -0.645 60.658 61.300 0.005 0.000 1.302 472 I CB 1.155 39.156 38.000 0.002 0.000 1.401 472 I HN 0.242 nan 8.210 nan 0.000 0.485 473 V N 6.378 126.302 119.914 0.016 0.000 2.588 473 V HA 0.396 4.515 4.120 -0.001 0.000 0.304 473 V C -0.261 175.843 176.094 0.017 0.000 1.042 473 V CA -0.969 61.341 62.300 0.017 0.000 0.877 473 V CB 1.564 33.400 31.823 0.022 0.000 0.996 473 V HN 0.332 nan 8.190 nan 0.000 0.425 474 L N 3.474 124.701 121.223 0.007 0.000 2.367 474 L HA 0.688 5.027 4.340 -0.001 0.000 0.275 474 L C 0.509 177.394 176.870 0.026 0.000 1.129 474 L CA 1.030 55.871 54.840 0.002 0.000 0.839 474 L CB 1.044 43.087 42.059 -0.025 0.000 1.133 474 L HN 1.007 nan 8.230 nan 0.000 0.453 475 T N 0.776 115.348 114.554 0.030 0.000 2.982 475 T HA 0.392 4.741 4.350 -0.001 0.000 0.321 475 T C 0.567 175.290 174.700 0.038 0.000 1.229 475 T CA -0.290 61.831 62.100 0.035 0.000 1.044 475 T CB 1.209 70.093 68.868 0.027 0.000 1.184 475 T HN 0.629 nan 8.240 nan 0.000 0.477 476 T N 1.802 116.379 114.554 0.038 0.000 3.039 476 T HA 0.112 4.461 4.350 -0.001 0.000 0.250 476 T C 1.737 176.454 174.700 0.028 0.000 1.052 476 T CA 1.200 63.323 62.100 0.038 0.000 1.125 476 T CB 0.054 68.947 68.868 0.042 0.000 0.908 476 T HN 0.833 nan 8.240 nan 0.000 0.473 477 T N -2.201 112.364 114.554 0.019 0.000 3.004 477 T HA 0.506 4.855 4.350 -0.001 0.000 0.266 477 T C 1.678 176.383 174.700 0.007 0.000 0.986 477 T CA 0.816 62.923 62.100 0.011 0.000 0.902 477 T CB 0.598 69.468 68.868 0.002 0.000 1.118 477 T HN 0.417 nan 8.240 nan 0.000 0.522 478 G N 2.021 110.826 108.800 0.008 0.000 2.232 478 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.226 478 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.226 478 G C 0.983 175.882 174.900 -0.001 0.000 0.996 478 G CA 0.512 45.612 45.100 -0.000 0.000 0.626 478 G HN 0.589 nan 8.290 nan 0.000 0.509 479 R N 1.323 121.823 120.500 0.000 0.000 2.096 479 R HA -0.119 4.220 4.340 -0.001 0.000 0.240 479 R C 2.854 179.159 176.300 0.008 0.000 1.139 479 R CA 2.674 58.773 56.100 -0.001 0.000 0.952 479 R CB -0.350 29.945 30.300 -0.007 0.000 0.854 479 R HN 0.594 nan 8.270 nan 0.000 0.436 480 S N -0.030 115.679 115.700 0.016 0.000 2.428 480 S HA -0.019 4.450 4.470 -0.001 0.000 0.230 480 S C 2.053 176.668 174.600 0.025 0.000 1.014 480 S CA 0.722 58.940 58.200 0.029 0.000 0.957 480 S CB -0.028 63.197 63.200 0.041 0.000 0.784 480 S HN 0.474 nan 8.310 nan 0.000 0.499 481 A N 1.822 124.650 122.820 0.012 0.000 1.930 481 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 481 A C 2.278 179.857 177.584 -0.008 0.000 1.175 481 A CA 1.492 53.530 52.037 0.001 0.000 0.627 481 A CB -0.758 18.236 19.000 -0.010 0.000 0.815 481 A HN 0.584 nan 8.150 nan 0.000 0.443 482 Q N -0.246 119.548 119.800 -0.010 0.000 2.079 482 Q HA -0.096 4.243 4.340 -0.001 0.000 0.200 482 Q C 1.889 177.878 176.000 -0.017 0.000 0.974 482 Q CA 1.443 57.234 55.803 -0.020 0.000 0.840 482 Q CB -0.256 28.470 28.738 -0.020 0.000 0.898 482 Q HN 0.665 nan 8.270 nan 0.000 0.430 483 L N 0.284 121.511 121.223 0.008 0.000 2.093 483 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 483 L C 2.400 179.322 176.870 0.087 0.000 1.085 483 L CA 0.646 55.505 54.840 0.032 0.000 0.755 483 L CB -0.431 41.672 42.059 0.073 0.000 0.904 483 L HN 0.312 nan 8.230 nan 0.000 0.435 484 L N -0.198 121.073 121.223 0.080 0.000 1.970 484 L HA -0.263 4.076 4.340 -0.001 0.000 0.212 484 L C 2.939 179.843 176.870 0.057 0.000 1.071 484 L CA 1.965 56.859 54.840 0.089 0.000 0.751 484 L CB -0.710 41.369 42.059 0.033 0.000 0.889 484 L HN 0.387 nan 8.230 nan 0.000 0.432 485 S N -0.467 115.233 115.700 -0.001 0.000 2.402 485 S HA -0.226 4.244 4.470 -0.001 0.000 0.229 485 S C 2.172 176.749 174.600 -0.038 0.000 1.021 485 S CA 0.696 58.882 58.200 -0.024 0.000 0.974 485 S CB -0.468 62.704 63.200 -0.047 0.000 0.800 485 S HN 0.280 nan 8.310 nan 0.000 0.484 486 R N -0.023 120.423 120.500 -0.090 0.000 2.174 486 R HA -0.172 4.167 4.340 -0.001 0.000 0.253 486 R C 0.957 177.069 176.300 -0.314 0.000 1.165 486 R CA 1.943 57.908 56.100 -0.225 0.000 0.984 486 R CB -0.475 29.609 30.300 -0.360 0.000 0.873 486 R HN 0.702 nan 8.270 nan 0.000 0.456 487 Y N 0.002 120.329 120.300 0.045 0.000 2.468 487 Y HA 0.204 4.754 4.550 0.001 0.000 0.268 487 Y C 0.189 176.095 175.900 0.010 0.000 1.177 487 Y CA -0.543 57.600 58.100 0.072 0.000 1.265 487 Y CB 0.519 39.032 38.460 0.088 0.000 1.103 487 Y HN -0.122 nan 8.280 nan 0.000 0.522 488 R N -0.555 120.003 120.500 0.096 0.000 3.059 488 R HA -0.157 4.182 4.340 -0.001 0.000 0.251 488 R C -2.994 173.322 176.300 0.027 0.000 0.886 488 R CA 0.001 56.154 56.100 0.089 0.000 0.634 488 R CB -2.067 28.336 30.300 0.173 0.000 1.282 488 R HN 0.286 nan 8.270 nan 0.000 0.487 489 P HA 0.078 nan 4.420 nan 0.000 0.272 489 P C 0.808 177.864 177.300 -0.407 0.000 1.240 489 P CA -0.313 62.533 63.100 -0.424 0.000 0.791 489 P CB 0.583 32.063 31.700 -0.367 0.000 0.978 490 R N 1.404 121.478 120.500 -0.710 0.000 2.128 490 R HA 0.224 4.563 4.340 -0.001 0.000 0.211 490 R C 0.584 176.693 176.300 -0.318 0.000 1.067 490 R CA 0.331 56.127 56.100 -0.507 0.000 1.010 490 R CB -0.480 29.451 30.300 -0.615 0.000 0.922 490 R HN 0.515 nan 8.270 nan 0.000 0.457 491 A N 1.480 124.066 122.820 -0.389 0.000 2.531 491 A HA 0.403 4.722 4.320 -0.001 0.000 0.236 491 A C 0.066 177.543 177.584 -0.178 0.000 1.062 491 A CA 0.316 52.199 52.037 -0.257 0.000 0.760 491 A CB 0.025 18.865 19.000 -0.266 0.000 0.995 491 A HN 0.568 nan 8.150 nan 0.000 0.501 492 A N 2.147 124.879 122.820 -0.145 0.000 2.425 492 A HA 0.477 4.796 4.320 -0.001 0.000 0.249 492 A C 0.138 177.718 177.584 -0.006 0.000 1.084 492 A CA -0.258 51.754 52.037 -0.041 0.000 0.781 492 A CB 0.059 18.862 19.000 -0.329 0.000 1.019 492 A HN 1.136 nan 8.150 nan 0.000 0.490 493 V N 4.737 124.707 119.914 0.094 0.000 2.339 493 V HA 0.143 4.262 4.120 -0.001 0.000 0.261 493 V C 0.085 176.252 176.094 0.121 0.000 1.058 493 V CA 0.208 62.538 62.300 0.050 0.000 0.897 493 V CB 0.035 31.858 31.823 0.001 0.000 1.052 493 V HN 0.641 nan 8.190 nan 0.000 0.480 494 I N 5.062 125.682 120.570 0.083 0.000 2.287 494 I HA 0.459 4.628 4.170 -0.001 0.000 0.290 494 I C 0.692 176.862 176.117 0.087 0.000 1.069 494 I CA -0.058 61.311 61.300 0.116 0.000 1.237 494 I CB 1.021 39.075 38.000 0.089 0.000 1.418 494 I HN 0.614 nan 8.210 nan 0.000 0.481 495 A N 7.097 129.972 122.820 0.091 0.000 2.260 495 A HA 0.643 4.962 4.320 -0.001 0.000 0.308 495 A C -0.344 177.298 177.584 0.098 0.000 1.254 495 A CA -0.402 51.674 52.037 0.065 0.000 0.874 495 A CB 0.716 19.734 19.000 0.029 0.000 1.153 495 A HN 0.458 nan 8.150 nan 0.000 0.527 496 V N 2.610 122.579 119.914 0.092 0.000 2.398 496 V HA 0.712 4.831 4.120 -0.001 0.000 0.286 496 V C 0.387 176.535 176.094 0.089 0.000 1.026 496 V CA -0.133 62.247 62.300 0.134 0.000 0.868 496 V CB 1.306 33.197 31.823 0.114 0.000 0.982 496 V HN 0.988 nan 8.190 nan 0.000 0.443 497 T N 3.948 118.581 114.554 0.132 0.000 2.894 497 T HA 0.415 4.764 4.350 -0.001 0.000 0.309 497 T C 0.509 175.293 174.700 0.139 0.000 1.208 497 T CA -0.581 61.581 62.100 0.102 0.000 1.016 497 T CB 1.884 70.800 68.868 0.080 0.000 1.192 497 T HN 0.643 nan 8.240 nan 0.000 0.491 498 R N 0.886 121.454 120.500 0.114 0.000 2.290 498 R HA 0.185 4.524 4.340 -0.001 0.000 0.197 498 R C 0.695 177.040 176.300 0.076 0.000 0.913 498 R CA 0.020 56.188 56.100 0.114 0.000 1.040 498 R CB 0.331 30.698 30.300 0.111 0.000 0.992 498 R HN 0.463 nan 8.270 nan 0.000 0.500 499 S N 0.700 116.441 115.700 0.070 0.000 2.405 499 S HA 0.243 4.712 4.470 -0.001 0.000 0.291 499 S C 1.235 175.875 174.600 0.066 0.000 1.137 499 S CA -0.297 57.936 58.200 0.055 0.000 1.061 499 S CB 1.228 64.454 63.200 0.044 0.000 1.001 499 S HN 0.329 nan 8.310 nan 0.000 0.507 500 A N 4.575 127.434 122.820 0.065 0.000 1.917 500 A HA -0.216 4.103 4.320 -0.001 0.000 0.219 500 A C 2.109 179.746 177.584 0.088 0.000 1.182 500 A CA 2.138 54.230 52.037 0.090 0.000 0.633 500 A CB -0.914 18.133 19.000 0.078 0.000 0.819 500 A HN 0.908 nan 8.150 nan 0.000 0.448 501 Q N -0.688 119.149 119.800 0.061 0.000 2.016 501 Q HA -0.033 4.306 4.340 -0.001 0.000 0.200 501 Q C 2.188 178.213 176.000 0.042 0.000 0.978 501 Q CA 1.845 57.678 55.803 0.051 0.000 0.833 501 Q CB -0.456 28.304 28.738 0.036 0.000 0.895 501 Q HN 0.552 nan 8.270 nan 0.000 0.427 502 A N 0.886 123.727 122.820 0.035 0.000 1.948 502 A HA -0.215 4.104 4.320 -0.001 0.000 0.220 502 A C 2.338 179.928 177.584 0.010 0.000 1.177 502 A CA 1.971 54.022 52.037 0.022 0.000 0.636 502 A CB -1.295 17.720 19.000 0.025 0.000 0.815 502 A HN 0.619 nan 8.150 nan 0.000 0.449 503 A N -0.444 122.395 122.820 0.032 0.000 1.940 503 A HA -0.205 4.114 4.320 -0.001 0.000 0.219 503 A C 2.275 179.829 177.584 -0.050 0.000 1.176 503 A CA 1.696 53.742 52.037 0.016 0.000 0.631 503 A CB -0.425 18.634 19.000 0.098 0.000 0.814 503 A HN 0.607 nan 8.150 nan 0.000 0.446 504 R N -1.034 119.481 120.500 0.025 0.000 2.062 504 R HA -0.045 4.295 4.340 -0.001 0.000 0.226 504 R C 2.376 178.714 176.300 0.063 0.000 1.125 504 R CA 1.352 57.502 56.100 0.083 0.000 0.966 504 R CB -0.320 30.048 30.300 0.113 0.000 0.861 504 R HN 0.652 nan 8.270 nan 0.000 0.433 505 Q N 0.335 120.152 119.800 0.028 0.000 2.291 505 Q HA -0.065 4.274 4.340 -0.001 0.000 0.205 505 Q C 2.000 178.002 176.000 0.004 0.000 0.970 505 Q CA 0.802 56.623 55.803 0.029 0.000 0.876 505 Q CB 0.110 28.860 28.738 0.020 0.000 0.935 505 Q HN 0.112 nan 8.270 nan 0.000 0.455 506 V N 0.774 120.650 119.914 -0.065 0.000 2.720 506 V HA -0.239 3.880 4.120 -0.001 0.000 0.256 506 V C 1.756 177.779 176.094 -0.118 0.000 1.082 506 V CA 1.453 63.691 62.300 -0.104 0.000 1.101 506 V CB -0.600 31.143 31.823 -0.132 0.000 0.693 506 V HN 0.473 nan 8.190 nan 0.000 0.479 507 H N -1.071 117.980 119.070 -0.033 0.000 2.518 507 H HA -0.107 4.448 4.556 -0.001 0.000 0.292 507 H C 2.000 177.307 175.328 -0.036 0.000 1.068 507 H CA 1.053 57.070 56.048 -0.052 0.000 1.275 507 H CB 0.003 29.751 29.762 -0.024 0.000 1.375 507 H HN 0.277 nan 8.280 nan 0.000 0.563 508 L N -0.174 121.110 121.223 0.101 0.000 2.362 508 L HA -0.063 4.276 4.340 -0.001 0.000 0.219 508 L C 0.680 177.564 176.870 0.023 0.000 1.134 508 L CA 0.550 55.435 54.840 0.075 0.000 0.807 508 L CB -0.198 41.907 42.059 0.076 0.000 0.927 508 L HN 0.155 nan 8.230 nan 0.000 0.447 509 C N 0.471 119.763 119.300 -0.014 0.000 2.264 509 C HA 0.368 4.828 4.460 -0.001 0.000 0.324 509 C C 0.980 175.924 174.990 -0.077 0.000 1.267 509 C CA -1.399 57.594 59.018 -0.041 0.000 1.618 509 C CB 0.423 28.132 27.740 -0.051 0.000 2.278 509 C HN 0.313 nan 8.230 nan 0.000 0.499 510 R N 2.106 122.570 120.500 -0.060 0.000 2.566 510 R HA 0.281 4.620 4.340 -0.001 0.000 0.273 510 R C 1.324 177.547 176.300 -0.128 0.000 0.981 510 R CA 1.855 57.907 56.100 -0.079 0.000 1.091 510 R CB -0.006 30.276 30.300 -0.030 0.000 0.924 510 R HN 1.229 nan 8.270 nan 0.000 0.411 511 G N 2.220 110.884 108.800 -0.226 0.000 2.179 511 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.260 511 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.260 511 G C -0.218 174.453 174.900 -0.382 0.000 0.977 511 G CA 0.118 45.075 45.100 -0.238 0.000 0.641 511 G HN 0.539 nan 8.290 nan 0.000 0.533 512 V N 0.946 120.581 119.914 -0.465 0.000 2.407 512 V HA 0.670 4.789 4.120 -0.001 0.000 0.278 512 V C -0.122 175.598 176.094 -0.622 0.000 1.037 512 V CA -0.461 61.620 62.300 -0.366 0.000 0.900 512 V CB 1.048 32.748 31.823 -0.204 0.000 0.983 512 V HN 0.212 nan 8.190 nan 0.000 0.459 513 F N 6.794 126.702 119.950 -0.070 0.000 2.347 513 F HA 0.475 5.001 4.527 -0.002 0.000 0.366 513 F C -2.098 173.699 175.800 -0.004 0.000 1.107 513 F CA -2.527 55.458 58.000 -0.025 0.000 1.058 513 F CB 1.666 40.626 39.000 -0.067 0.000 1.236 513 F HN 0.320 nan 8.300 nan 0.000 0.456 514 P HA 0.347 nan 4.420 nan 0.000 0.284 514 P C -1.009 176.386 177.300 0.157 0.000 1.253 514 P CA -0.300 62.824 63.100 0.040 0.000 0.800 514 P CB 1.877 33.507 31.700 -0.118 0.000 0.961 515 L N 3.046 124.393 121.223 0.206 0.000 2.356 515 L HA 0.408 4.747 4.340 -0.001 0.000 0.277 515 L C 0.010 177.112 176.870 0.386 0.000 0.996 515 L CA -1.254 53.776 54.840 0.316 0.000 0.822 515 L CB 1.910 44.146 42.059 0.295 0.000 1.256 515 L HN 0.232 nan 8.230 nan 0.000 0.413 516 L N 3.652 125.127 121.223 0.419 0.000 2.290 516 L HA 0.324 4.664 4.340 -0.001 0.000 0.284 516 L C -0.923 176.111 176.870 0.273 0.000 1.078 516 L CA 0.165 55.195 54.840 0.317 0.000 0.815 516 L CB 0.620 42.844 42.059 0.275 0.000 1.162 516 L HN 0.395 nan 8.230 nan 0.000 0.435 517 Y N 4.889 125.178 120.300 -0.019 0.000 2.331 517 Y HA 0.471 5.020 4.550 -0.001 0.000 0.338 517 Y C 0.759 176.516 175.900 -0.239 0.000 0.992 517 Y CA -0.322 57.591 58.100 -0.312 0.000 1.121 517 Y CB 1.155 39.450 38.460 -0.275 0.000 1.184 517 Y HN 0.752 nan 8.280 nan 0.000 0.469 518 R N 1.890 121.904 120.500 -0.810 0.000 2.316 518 R HA 0.124 4.463 4.340 -0.001 0.000 0.201 518 R C -0.278 175.703 176.300 -0.533 0.000 0.888 518 R CA -0.173 55.625 56.100 -0.504 0.000 1.041 518 R CB 0.395 30.476 30.300 -0.366 0.000 1.115 518 R HN 0.581 nan 8.270 nan 0.000 0.559 519 E N 2.880 122.555 120.200 -0.876 0.000 2.415 519 E HA 0.079 4.428 4.350 -0.001 0.000 0.262 519 E C -2.235 174.222 176.600 -0.238 0.000 1.038 519 E CA -1.664 54.429 56.400 -0.512 0.000 0.921 519 E CB -0.003 29.398 29.700 -0.498 0.000 0.950 519 E HN -0.007 nan 8.360 nan 0.000 0.438 520 P HA 0.196 nan 4.420 nan 0.000 0.275 520 P C -2.417 174.896 177.300 0.022 0.000 1.228 520 P CA -1.288 61.791 63.100 -0.036 0.000 0.786 520 P CB -0.363 31.316 31.700 -0.035 0.000 0.927 521 P HA -0.017 nan 4.420 nan 0.000 0.264 521 P C 0.081 177.418 177.300 0.061 0.000 1.179 521 P CA 0.511 63.660 63.100 0.082 0.000 0.763 521 P CB 0.315 32.067 31.700 0.086 0.000 0.806 522 E N 1.431 121.668 120.200 0.062 0.000 2.392 522 E HA 0.117 4.466 4.350 -0.001 0.000 0.256 522 E C 1.267 177.903 176.600 0.059 0.000 1.145 522 E CA -0.159 56.269 56.400 0.046 0.000 0.929 522 E CB 0.484 30.203 29.700 0.032 0.000 0.998 522 E HN 0.410 nan 8.360 nan 0.000 0.442 523 A N 2.135 124.984 122.820 0.048 0.000 1.855 523 A HA -0.078 4.241 4.320 -0.001 0.000 0.215 523 A C 1.287 178.917 177.584 0.077 0.000 1.191 523 A CA 0.842 52.911 52.037 0.053 0.000 0.613 523 A CB -0.347 18.675 19.000 0.036 0.000 0.829 523 A HN 0.561 nan 8.150 nan 0.000 0.442 524 I N -0.707 119.906 120.570 0.072 0.000 2.363 524 I HA -0.005 4.164 4.170 -0.001 0.000 0.292 524 I C 0.954 177.150 176.117 0.131 0.000 1.075 524 I CA -0.449 60.909 61.300 0.096 0.000 1.333 524 I CB 0.817 38.853 38.000 0.061 0.000 1.415 524 I HN 0.639 nan 8.210 nan 0.000 0.502 525 W N 6.509 127.803 121.300 -0.011 0.000 2.302 525 W HA -0.365 4.294 4.660 -0.002 0.000 0.320 525 W C 2.298 178.808 176.519 -0.015 0.000 1.241 525 W CA 2.384 59.718 57.345 -0.018 0.000 1.264 525 W CB -0.089 29.352 29.460 -0.032 0.000 1.154 525 W HN 0.624 nan 8.180 nan 0.000 0.483 526 A N 0.306 123.109 122.820 -0.028 0.000 1.940 526 A HA -0.327 3.992 4.320 -0.001 0.000 0.221 526 A C 1.777 179.226 177.584 -0.225 0.000 1.190 526 A CA 2.506 54.413 52.037 -0.216 0.000 0.647 526 A CB -1.225 17.760 19.000 -0.024 0.000 0.821 526 A HN 0.408 nan 8.150 nan 0.000 0.457 527 D N -0.645 119.687 120.400 -0.112 0.000 2.117 527 D HA -0.132 4.507 4.640 -0.001 0.000 0.197 527 D C 1.606 177.829 176.300 -0.129 0.000 0.987 527 D CA 1.639 55.586 54.000 -0.089 0.000 0.829 527 D CB -0.519 40.263 40.800 -0.029 0.000 0.961 527 D HN 0.586 nan 8.370 nan 0.000 0.460 528 D N -0.052 120.251 120.400 -0.162 0.000 2.117 528 D HA -0.121 4.518 4.640 -0.001 0.000 0.197 528 D C 2.097 178.217 176.300 -0.300 0.000 0.987 528 D CA 0.628 54.526 54.000 -0.170 0.000 0.829 528 D CB 0.138 40.865 40.800 -0.121 0.000 0.961 528 D HN -0.086 nan 8.370 nan 0.000 0.460 529 V N 0.782 120.400 119.914 -0.493 0.000 2.252 529 V HA -0.267 3.852 4.120 -0.001 0.000 0.249 529 V C 1.895 177.812 176.094 -0.295 0.000 1.056 529 V CA 2.151 64.155 62.300 -0.493 0.000 1.022 529 V CB -0.560 30.829 31.823 -0.724 0.000 0.641 529 V HN 0.248 nan 8.190 nan 0.000 0.445 530 D N -0.345 119.919 120.400 -0.227 0.000 2.097 530 D HA -0.136 4.504 4.640 -0.001 0.000 0.195 530 D C 2.399 178.645 176.300 -0.091 0.000 0.989 530 D CA 1.070 54.991 54.000 -0.132 0.000 0.827 530 D CB -0.348 40.396 40.800 -0.093 0.000 0.966 530 D HN 0.357 nan 8.370 nan 0.000 0.456 531 R N 0.582 121.032 120.500 -0.084 0.000 2.105 531 R HA -0.057 4.282 4.340 -0.001 0.000 0.239 531 R C 2.352 178.633 176.300 -0.032 0.000 1.135 531 R CA 0.771 56.866 56.100 -0.008 0.000 0.967 531 R CB -0.297 30.033 30.300 0.051 0.000 0.861 531 R HN 0.274 nan 8.270 nan 0.000 0.442 532 R N 0.264 120.615 120.500 -0.249 0.000 2.070 532 R HA -0.075 4.264 4.340 -0.001 0.000 0.233 532 R C 2.441 178.692 176.300 -0.082 0.000 1.137 532 R CA 1.383 57.249 56.100 -0.390 0.000 0.945 532 R CB -0.490 29.480 30.300 -0.551 0.000 0.845 532 R HN 0.022 nan 8.270 nan 0.000 0.430 533 V N 1.066 120.928 119.914 -0.086 0.000 2.287 533 V HA -0.274 3.846 4.120 -0.001 0.000 0.248 533 V C 2.276 178.377 176.094 0.011 0.000 1.053 533 V CA 1.765 64.044 62.300 -0.035 0.000 1.027 533 V CB -0.491 31.298 31.823 -0.056 0.000 0.646 533 V HN 0.256 nan 8.190 nan 0.000 0.447 534 Q N -0.837 118.978 119.800 0.024 0.000 2.096 534 Q HA -0.208 4.131 4.340 -0.001 0.000 0.204 534 Q C 1.930 177.995 176.000 0.110 0.000 0.982 534 Q CA 1.967 57.802 55.803 0.054 0.000 0.850 534 Q CB -0.725 28.047 28.738 0.057 0.000 0.901 534 Q HN 0.661 nan 8.270 nan 0.000 0.422 535 F N 0.040 120.002 119.950 0.020 0.000 2.095 535 F HA -0.138 4.388 4.527 -0.001 0.000 0.298 535 F C 1.962 177.800 175.800 0.064 0.000 1.104 535 F CA 1.919 59.969 58.000 0.083 0.000 1.232 535 F CB -0.838 38.273 39.000 0.185 0.000 0.987 535 F HN 0.127 nan 8.300 nan 0.000 0.475 536 G N 0.920 109.718 108.800 -0.003 0.000 2.491 536 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.218 536 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.218 536 G C 1.881 176.722 174.900 -0.098 0.000 1.180 536 G CA 1.417 46.469 45.100 -0.079 0.000 0.774 536 G HN 0.485 nan 8.290 nan 0.000 0.562 537 I N 0.225 120.765 120.570 -0.050 0.000 2.099 537 I HA -0.199 3.970 4.170 -0.001 0.000 0.239 537 I C 2.745 178.816 176.117 -0.077 0.000 1.066 537 I CA 1.716 62.990 61.300 -0.043 0.000 1.324 537 I CB -0.314 37.674 38.000 -0.020 0.000 1.037 537 I HN 0.289 nan 8.210 nan 0.000 0.401 538 E N 0.589 120.736 120.200 -0.088 0.000 2.023 538 E HA -0.229 4.120 4.350 -0.001 0.000 0.196 538 E C 2.256 178.750 176.600 -0.177 0.000 1.003 538 E CA 2.073 58.412 56.400 -0.101 0.000 0.809 538 E CB 0.053 29.720 29.700 -0.056 0.000 0.755 538 E HN 0.427 nan 8.360 nan 0.000 0.449 539 S N 0.149 115.665 115.700 -0.306 0.000 2.372 539 S HA -0.223 4.246 4.470 -0.001 0.000 0.227 539 S C 2.013 176.453 174.600 -0.267 0.000 1.044 539 S CA 1.122 59.123 58.200 -0.332 0.000 1.050 539 S CB -1.007 61.905 63.200 -0.479 0.000 0.901 539 S HN 0.524 nan 8.310 nan 0.000 0.447 540 G N 2.034 110.728 108.800 -0.176 0.000 2.514 540 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.217 540 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.217 540 G C 1.403 176.194 174.900 -0.183 0.000 1.198 540 G CA 1.311 46.349 45.100 -0.103 0.000 0.780 540 G HN 0.462 nan 8.290 nan 0.000 0.565 541 K N -0.323 120.001 120.400 -0.127 0.000 2.034 541 K HA -0.007 4.312 4.320 -0.001 0.000 0.214 541 K C 2.462 178.966 176.600 -0.161 0.000 1.051 541 K CA 1.214 57.433 56.287 -0.113 0.000 0.931 541 K CB -0.469 31.985 32.500 -0.076 0.000 0.715 541 K HN 0.224 nan 8.250 nan 0.000 0.446 542 L N 1.030 122.145 121.223 -0.179 0.000 2.079 542 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 542 L C 1.540 178.261 176.870 -0.248 0.000 1.081 542 L CA 1.662 56.397 54.840 -0.176 0.000 0.752 542 L CB -0.122 41.847 42.059 -0.150 0.000 0.896 542 L HN 0.256 nan 8.230 nan 0.000 0.433 543 R N -0.497 119.747 120.500 -0.426 0.000 2.356 543 R HA 0.170 4.510 4.340 -0.001 0.000 0.234 543 R C 1.033 176.996 176.300 -0.562 0.000 0.929 543 R CA 0.549 56.298 56.100 -0.585 0.000 1.084 543 R CB -0.067 29.628 30.300 -1.009 0.000 1.105 543 R HN 0.428 nan 8.270 nan 0.000 0.515 544 G N 1.261 109.858 108.800 -0.339 0.000 2.249 544 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.273 544 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.273 544 G C 0.398 175.275 174.900 -0.040 0.000 1.036 544 G CA 0.164 45.168 45.100 -0.161 0.000 0.824 544 G HN 0.503 nan 8.290 nan 0.000 0.504 545 F N -0.772 119.102 119.950 -0.127 0.000 2.473 545 F HA 0.337 4.863 4.527 -0.001 0.000 0.294 545 F C 1.400 177.128 175.800 -0.119 0.000 1.103 545 F CA 0.150 58.053 58.000 -0.161 0.000 1.442 545 F CB 0.172 39.038 39.000 -0.223 0.000 1.097 545 F HN 0.121 nan 8.300 nan 0.000 0.547 546 L N 0.104 121.370 121.223 0.072 0.000 2.431 546 L HA 0.622 4.961 4.340 -0.001 0.000 0.266 546 L C -0.688 176.178 176.870 -0.007 0.000 0.978 546 L CA -1.112 53.742 54.840 0.023 0.000 0.822 546 L CB 1.841 43.909 42.059 0.014 0.000 1.310 546 L HN -0.253 nan 8.230 nan 0.000 0.409 547 R N 0.864 121.360 120.500 -0.007 0.000 2.803 547 R HA 0.606 4.945 4.340 -0.001 0.000 0.276 547 R C -0.792 175.501 176.300 -0.011 0.000 0.978 547 R CA -1.077 55.015 56.100 -0.013 0.000 0.939 547 R CB 2.515 32.810 30.300 -0.009 0.000 1.179 547 R HN 0.442 nan 8.270 nan 0.000 0.472 548 V N 1.310 121.216 119.914 -0.012 0.000 2.843 548 V HA 0.083 4.202 4.120 -0.001 0.000 0.305 548 V C 1.681 177.771 176.094 -0.007 0.000 1.120 548 V CA 1.376 63.670 62.300 -0.010 0.000 1.254 548 V CB 0.065 31.883 31.823 -0.009 0.000 0.901 548 V HN 1.074 nan 8.190 nan 0.000 0.503 549 G N 2.613 111.409 108.800 -0.006 0.000 2.284 549 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.247 549 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.247 549 G C -0.054 174.843 174.900 -0.005 0.000 1.012 549 G CA 0.230 45.327 45.100 -0.004 0.000 0.618 549 G HN 0.787 nan 8.290 nan 0.000 0.521 550 D N 0.463 120.859 120.400 -0.007 0.000 2.378 550 D HA 0.510 5.150 4.640 -0.001 0.000 0.238 550 D C 1.002 177.295 176.300 -0.012 0.000 1.180 550 D CA 0.136 54.130 54.000 -0.010 0.000 0.895 550 D CB 0.599 41.392 40.800 -0.012 0.000 1.192 550 D HN 0.354 nan 8.370 nan 0.000 0.438 551 L N 0.754 121.968 121.223 -0.015 0.000 2.334 551 L HA 0.584 4.923 4.340 -0.001 0.000 0.275 551 L C -0.269 176.586 176.870 -0.025 0.000 1.036 551 L CA -0.837 53.993 54.840 -0.017 0.000 0.807 551 L CB 1.698 43.749 42.059 -0.015 0.000 1.231 551 L HN 0.037 nan 8.230 nan 0.000 0.438 552 V N 3.486 123.386 119.914 -0.024 0.000 2.876 552 V HA 0.497 4.616 4.120 -0.001 0.000 0.312 552 V C -0.734 175.343 176.094 -0.028 0.000 1.085 552 V CA -0.628 61.654 62.300 -0.030 0.000 0.945 552 V CB 2.773 34.583 31.823 -0.023 0.000 1.017 552 V HN 0.386 nan 8.190 nan 0.000 0.428 553 I N 5.310 125.859 120.570 -0.036 0.000 2.339 553 I HA 0.443 4.612 4.170 -0.001 0.000 0.290 553 I C -0.186 175.918 176.117 -0.021 0.000 0.994 553 I CA -0.498 60.784 61.300 -0.029 0.000 1.191 553 I CB 1.459 39.435 38.000 -0.041 0.000 1.343 553 I HN 0.188 nan 8.210 nan 0.000 0.458 554 V N 7.272 127.179 119.914 -0.012 0.000 2.398 554 V HA 0.430 4.549 4.120 -0.001 0.000 0.286 554 V C 0.119 176.214 176.094 0.002 0.000 1.026 554 V CA -0.704 61.590 62.300 -0.009 0.000 0.868 554 V CB 2.297 34.112 31.823 -0.013 0.000 0.982 554 V HN 0.431 nan 8.190 nan 0.000 0.443 555 V N 5.123 125.041 119.914 0.007 0.000 2.409 555 V HA 0.729 4.848 4.120 -0.001 0.000 0.291 555 V C 0.360 176.471 176.094 0.029 0.000 1.020 555 V CA -0.011 62.304 62.300 0.024 0.000 0.848 555 V CB 1.778 33.619 31.823 0.029 0.000 0.990 555 V HN 1.122 nan 8.190 nan 0.000 0.430 556 T N 1.863 116.445 114.554 0.047 0.000 2.591 556 T HA 0.902 5.251 4.350 -0.001 0.000 0.274 556 T C -0.069 174.707 174.700 0.126 0.000 0.945 556 T CA -0.270 61.863 62.100 0.055 0.000 1.087 556 T CB 1.871 70.742 68.868 0.005 0.000 1.416 556 T HN 0.922 nan 8.240 nan 0.000 0.514 557 G N -1.041 107.864 108.800 0.176 0.000 2.680 557 G HA2 0.498 4.457 3.960 -0.001 0.000 0.290 557 G HA3 0.498 4.457 3.960 -0.001 0.000 0.290 557 G C 0.153 175.286 174.900 0.389 0.000 1.355 557 G CA -0.503 44.760 45.100 0.271 0.000 0.903 557 G HN 0.945 nan 8.290 nan 0.000 0.474 558 W N 0.236 121.676 121.300 0.235 0.000 2.770 558 W HA 0.262 4.922 4.660 -0.001 0.000 0.256 558 W C 0.232 176.816 176.519 0.109 0.000 1.291 558 W CA 0.195 57.655 57.345 0.192 0.000 1.396 558 W CB -0.271 29.241 29.460 0.087 0.000 1.114 558 W HN 0.546 nan 8.180 nan 0.000 0.637 559 R N -0.654 119.465 120.500 -0.635 0.000 2.734 559 R HA 0.606 4.946 4.340 -0.001 0.000 0.271 559 R C -3.291 172.460 176.300 -0.915 0.000 1.021 559 R CA -1.916 53.493 56.100 -1.151 0.000 0.893 559 R CB 0.001 29.394 30.300 -1.512 0.000 1.244 559 R HN -0.385 nan 8.270 nan 0.000 0.464 560 P HA 0.467 nan 4.420 nan 0.000 0.274 560 P C -0.303 176.832 177.300 -0.275 0.000 1.256 560 P CA 0.590 63.393 63.100 -0.494 0.000 0.795 560 P CB 0.629 31.932 31.700 -0.661 0.000 1.038 561 G N -0.391 108.377 108.800 -0.054 0.000 2.699 561 G HA2 0.098 4.057 3.960 -0.001 0.000 0.686 561 G HA3 0.098 4.057 3.960 -0.001 0.000 0.686 561 G C -0.197 174.770 174.900 0.112 0.000 1.301 561 G CA -0.250 44.865 45.100 0.024 0.000 0.816 561 G HN 0.741 nan 8.290 nan 0.000 0.595 562 S N -0.247 115.499 115.700 0.078 0.000 2.632 562 S HA 0.736 5.206 4.470 -0.001 0.000 0.267 562 S C 1.638 176.200 174.600 -0.064 0.000 1.276 562 S CA 1.063 59.285 58.200 0.036 0.000 0.998 562 S CB 1.501 64.701 63.200 0.000 0.000 0.953 562 S HN 2.930 nan 8.310 nan 0.000 0.547 563 G N 0.362 109.085 108.800 -0.129 0.000 2.175 563 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.244 563 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.244 563 G C 0.034 174.673 174.900 -0.435 0.000 0.982 563 G CA 0.511 45.415 45.100 -0.326 0.000 0.641 563 G HN 0.854 nan 8.290 nan 0.000 0.527 564 Y N 1.072 121.375 120.300 0.005 0.000 2.682 564 Y HA 0.379 4.928 4.550 -0.002 0.000 0.251 564 Y C 1.451 177.421 175.900 0.116 0.000 1.172 564 Y CA -0.031 58.093 58.100 0.041 0.000 1.186 564 Y CB 0.505 38.821 38.460 -0.239 0.000 1.216 564 Y HN 0.139 nan 8.280 nan 0.000 0.540 565 T N 3.366 118.034 114.554 0.189 0.000 2.933 565 T HA -0.038 4.311 4.350 -0.001 0.000 0.306 565 T C 0.919 175.749 174.700 0.218 0.000 1.045 565 T CA 0.773 62.981 62.100 0.179 0.000 1.143 565 T CB 0.085 69.020 68.868 0.113 0.000 1.003 565 T HN 0.672 nan 8.240 nan 0.000 0.540 566 N N 1.782 120.617 118.700 0.226 0.000 1.975 566 N HA 0.028 4.768 4.740 -0.001 0.000 0.220 566 N C -0.814 174.790 175.510 0.156 0.000 1.413 566 N CA -0.191 52.981 53.050 0.204 0.000 0.722 566 N CB -0.169 38.484 38.487 0.276 0.000 1.151 566 N HN 0.509 nan 8.380 nan 0.000 0.557 567 I N 1.353 122.006 120.570 0.139 0.000 2.608 567 I HA 0.505 4.675 4.170 -0.001 0.000 0.295 567 I C -0.573 175.585 176.117 0.068 0.000 1.049 567 I CA -0.679 60.682 61.300 0.102 0.000 1.063 567 I CB 2.303 40.370 38.000 0.113 0.000 1.248 567 I HN -0.001 nan 8.210 nan 0.000 0.424 568 M N 5.973 125.603 119.600 0.050 0.000 2.327 568 M HA 0.570 5.049 4.480 -0.001 0.000 0.298 568 M C -1.672 174.642 176.300 0.023 0.000 1.065 568 M CA -0.384 54.936 55.300 0.033 0.000 0.916 568 M CB 2.287 34.905 32.600 0.029 0.000 1.630 568 M HN 0.652 nan 8.290 nan 0.000 0.442 569 R N 2.615 123.123 120.500 0.014 0.000 2.686 569 R HA 0.675 5.015 4.340 -0.001 0.000 0.283 569 R C -1.431 174.869 176.300 0.001 0.000 0.978 569 R CA -0.895 55.210 56.100 0.008 0.000 0.897 569 R CB 2.786 33.089 30.300 0.005 0.000 1.192 569 R HN 0.509 nan 8.270 nan 0.000 0.457 570 V N 4.967 124.882 119.914 0.001 0.000 2.383 570 V HA 0.419 4.538 4.120 -0.001 0.000 0.275 570 V C -0.156 175.935 176.094 -0.004 0.000 1.036 570 V CA -0.417 61.881 62.300 -0.003 0.000 0.889 570 V CB 1.065 32.888 31.823 -0.000 0.000 0.985 570 V HN 0.492 nan 8.190 nan 0.000 0.459 571 L N 4.218 125.436 121.223 -0.008 0.000 2.354 571 L HA 0.707 5.046 4.340 -0.001 0.000 0.264 571 L C 0.107 176.972 176.870 -0.009 0.000 1.008 571 L CA -0.558 54.277 54.840 -0.008 0.000 0.819 571 L CB 2.531 44.584 42.059 -0.010 0.000 1.339 571 L HN 0.676 nan 8.230 nan 0.000 0.420 572 S N 1.304 117.000 115.700 -0.007 0.000 2.525 572 S HA 0.683 5.153 4.470 -0.001 0.000 0.290 572 S C -0.279 174.317 174.600 -0.007 0.000 1.152 572 S CA -0.822 57.374 58.200 -0.007 0.000 1.072 572 S CB 1.559 64.757 63.200 -0.004 0.000 1.027 572 S HN 0.328 nan 8.310 nan 0.000 0.500 573 I N 0.000 120.565 120.570 -0.009 0.000 2.984 573 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 573 I CA 0.000 61.294 61.300 -0.009 0.000 1.566 573 I CB 0.000 37.993 38.000 -0.011 0.000 1.214 573 I HN 0.000 nan 8.210 nan 0.000 0.494