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_A 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 0.026 0.000 1.108 58 Q N 0.067 119.882 119.800 0.025 0.000 2.486 58 Q HA 0.519 4.858 4.340 -0.002 0.000 0.274 58 Q C -0.606 175.417 176.000 0.039 0.000 1.076 58 Q CA -0.622 55.196 55.803 0.026 0.000 0.872 58 Q CB 1.194 29.945 28.738 0.023 0.000 1.383 58 Q HN 0.522 nan 8.270 nan 0.000 0.478 59 Q N 0.260 120.085 119.800 0.041 0.000 2.450 59 Q HA -0.304 4.035 4.340 -0.002 0.000 0.255 59 Q C -0.828 175.222 176.000 0.083 0.000 1.003 59 Q CA 0.562 56.401 55.803 0.060 0.000 1.097 59 Q CB -1.102 27.674 28.738 0.063 0.000 1.544 59 Q HN 0.560 nan 8.270 nan 0.000 0.531 60 Q N -1.944 117.894 119.800 0.062 0.000 2.451 60 Q HA -0.234 4.104 4.340 -0.002 0.000 0.305 60 Q C 0.542 176.603 176.000 0.102 0.000 1.345 60 Q CA 1.049 56.891 55.803 0.064 0.000 0.854 60 Q CB -1.292 27.488 28.738 0.070 0.000 1.162 60 Q HN 0.384 nan 8.270 nan 0.000 0.440 61 L N 0.325 121.601 121.223 0.088 0.000 2.044 61 L HA -0.023 4.315 4.340 -0.002 0.000 0.205 61 L C -0.402 176.529 176.870 0.102 0.000 1.075 61 L CA 1.959 56.861 54.840 0.104 0.000 0.747 61 L CB -1.538 40.569 42.059 0.080 0.000 0.903 61 L HN 0.194 nan 8.230 nan 0.000 0.435 62 P HA -0.199 nan 4.420 nan 0.000 0.216 62 P C 1.519 178.868 177.300 0.081 0.000 1.154 62 P CA 2.039 65.174 63.100 0.058 0.000 0.865 62 P CB -0.032 31.682 31.700 0.024 0.000 0.789 63 A N -0.444 122.422 122.820 0.077 0.000 1.969 63 A HA -0.024 4.295 4.320 -0.002 0.000 0.218 63 A C 2.274 180.082 177.584 0.374 0.000 1.169 63 A CA 1.734 53.832 52.037 0.101 0.000 0.635 63 A CB -1.445 17.509 19.000 -0.078 0.000 0.810 63 A HN 0.197 nan 8.150 nan 0.000 0.445 64 A N -0.735 122.280 122.820 0.326 0.000 1.969 64 A HA -0.043 4.276 4.320 -0.002 0.000 0.218 64 A C 1.897 179.656 177.584 0.293 0.000 1.169 64 A CA 1.609 53.860 52.037 0.356 0.000 0.635 64 A CB -0.383 18.787 19.000 0.284 0.000 0.810 64 A HN 0.421 nan 8.150 nan 0.000 0.445 65 M N 0.033 119.763 119.600 0.216 0.000 2.618 65 M HA 0.229 4.708 4.480 -0.002 0.000 0.240 65 M C 0.967 177.376 176.300 0.181 0.000 1.123 65 M CA -0.032 55.365 55.300 0.162 0.000 1.060 65 M CB -1.585 31.080 32.600 0.108 0.000 1.535 65 M HN 0.367 nan 8.290 nan 0.000 0.507 66 A N 0.992 123.968 122.820 0.259 0.000 2.407 66 A HA 0.109 4.427 4.320 -0.002 0.000 0.248 66 A C 0.869 178.620 177.584 0.279 0.000 1.082 66 A CA -0.155 52.006 52.037 0.207 0.000 0.785 66 A CB 0.348 19.422 19.000 0.124 0.000 1.020 66 A HN 0.342 nan 8.150 nan 0.000 0.489 67 D N -0.072 120.431 120.400 0.171 0.000 2.323 67 D HA 0.016 4.654 4.640 -0.002 0.000 0.209 67 D C 0.727 177.146 176.300 0.199 0.000 0.973 67 D CA 1.696 55.796 54.000 0.167 0.000 0.874 67 D CB 0.259 41.114 40.800 0.092 0.000 0.930 67 D HN 0.760 nan 8.370 nan 0.000 0.521 68 T N -3.761 110.883 114.554 0.150 0.000 2.865 68 T HA 0.257 4.605 4.350 -0.002 0.000 0.294 68 T C 0.534 175.187 174.700 -0.078 0.000 1.119 68 T CA -0.864 61.306 62.100 0.117 0.000 1.007 68 T CB 1.294 70.202 68.868 0.066 0.000 1.225 68 T HN -0.127 nan 8.240 nan 0.000 0.515 69 F N 0.476 120.313 119.950 -0.188 0.000 2.186 69 F HA 0.073 4.599 4.527 -0.002 0.000 0.299 69 F C 1.865 177.546 175.800 -0.199 0.000 1.090 69 F CA 0.900 58.675 58.000 -0.374 0.000 1.307 69 F CB -0.074 38.846 39.000 -0.135 0.000 1.019 69 F HN 0.510 nan 8.300 nan 0.000 0.489 70 L N 0.924 122.071 121.223 -0.127 0.000 1.994 70 L HA -0.212 4.127 4.340 -0.002 0.000 0.208 70 L C 2.378 179.117 176.870 -0.217 0.000 1.071 70 L CA 2.116 56.850 54.840 -0.175 0.000 0.745 70 L CB -1.076 40.956 42.059 -0.046 0.000 0.892 70 L HN 0.258 nan 8.230 nan 0.000 0.431 71 E N -1.716 118.396 120.200 -0.148 0.000 2.118 71 E HA -0.343 4.006 4.350 -0.002 0.000 0.195 71 E C 2.121 178.613 176.600 -0.180 0.000 0.992 71 E CA 1.379 57.706 56.400 -0.122 0.000 0.804 71 E CB -0.116 29.553 29.700 -0.052 0.000 0.741 71 E HN 0.736 nan 8.360 nan 0.000 0.458 72 H N 0.566 119.389 119.070 -0.412 0.000 2.253 72 H HA -0.138 4.417 4.556 -0.002 0.000 0.296 72 H C 2.150 177.224 175.328 -0.423 0.000 1.074 72 H CA 2.286 58.043 56.048 -0.485 0.000 1.263 72 H CB -0.544 28.657 29.762 -0.934 0.000 1.363 72 H HN 0.100 nan 8.280 nan 0.000 0.489 73 L N -0.409 120.399 121.223 -0.693 0.000 2.010 73 L HA -0.342 3.997 4.340 -0.002 0.000 0.219 73 L C 2.809 179.452 176.870 -0.378 0.000 1.077 73 L CA 1.657 56.148 54.840 -0.581 0.000 0.773 73 L CB -0.944 40.809 42.059 -0.510 0.000 0.892 73 L HN 0.487 nan 8.230 nan 0.000 0.436 74 C N -0.359 118.771 119.300 -0.283 0.000 2.413 74 C HA -0.102 4.357 4.460 -0.002 0.000 0.292 74 C C 2.372 177.262 174.990 -0.166 0.000 1.435 74 C CA 0.643 59.550 59.018 -0.185 0.000 1.791 74 C CB -1.058 26.601 27.740 -0.136 0.000 1.784 74 C HN 0.441 nan 8.230 nan 0.000 0.548 75 L N -0.882 120.214 121.223 -0.212 0.000 2.858 75 L HA 0.251 4.590 4.340 -0.002 0.000 0.251 75 L C 0.494 177.262 176.870 -0.169 0.000 1.149 75 L CA -0.096 54.651 54.840 -0.155 0.000 0.955 75 L CB -0.099 41.893 42.059 -0.112 0.000 1.289 75 L HN 0.189 nan 8.230 nan 0.000 0.542 76 L N 1.578 122.653 121.223 -0.248 0.000 2.578 76 L HA -0.064 4.275 4.340 -0.002 0.000 0.279 76 L C -0.145 176.655 176.870 -0.116 0.000 1.227 76 L CA 0.707 55.425 54.840 -0.202 0.000 0.900 76 L CB 0.029 41.946 42.059 -0.236 0.000 1.144 76 L HN 0.049 nan 8.230 nan 0.000 0.496 77 D N 3.094 123.448 120.400 -0.078 0.000 2.549 77 D HA 0.224 4.863 4.640 -0.002 0.000 0.251 77 D C 0.707 176.985 176.300 -0.036 0.000 1.153 77 D CA -0.575 53.395 54.000 -0.050 0.000 0.861 77 D CB 1.480 42.258 40.800 -0.035 0.000 1.207 77 D HN 0.434 nan 8.370 nan 0.000 0.543 78 I N 0.078 120.627 120.570 -0.034 0.000 2.756 78 I HA -0.005 4.163 4.170 -0.002 0.000 0.262 78 I C 0.492 176.600 176.117 -0.016 0.000 1.225 78 I CA 0.934 62.218 61.300 -0.025 0.000 1.472 78 I CB 0.161 38.145 38.000 -0.025 0.000 1.094 78 I HN 0.020 nan 8.210 nan 0.000 0.454 79 D N 0.823 121.214 120.400 -0.015 0.000 2.349 79 D HA 0.095 4.733 4.640 -0.002 0.000 0.214 79 D C 0.564 176.861 176.300 -0.004 0.000 1.063 79 D CA 0.384 54.380 54.000 -0.008 0.000 0.847 79 D CB 0.402 41.197 40.800 -0.008 0.000 0.933 79 D HN 0.207 nan 8.370 nan 0.000 0.513 80 S N 1.574 117.271 115.700 -0.004 0.000 2.473 80 S HA 0.071 4.540 4.470 -0.002 0.000 0.312 80 S C 0.060 174.665 174.600 0.008 0.000 1.087 80 S CA -0.563 57.640 58.200 0.004 0.000 1.077 80 S CB 0.177 63.380 63.200 0.005 0.000 1.065 80 S HN -0.081 nan 8.310 nan 0.000 0.510 81 E N 4.946 125.152 120.200 0.010 0.000 2.384 81 E HA 0.231 4.580 4.350 -0.002 0.000 0.266 81 E C -2.188 174.422 176.600 0.017 0.000 1.012 81 E CA -2.246 54.162 56.400 0.012 0.000 0.901 81 E CB 0.050 29.758 29.700 0.014 0.000 0.967 81 E HN 0.415 nan 8.360 nan 0.000 0.435 82 P HA 0.068 nan 4.420 nan 0.000 0.270 82 P C -0.493 176.820 177.300 0.022 0.000 1.223 82 P CA -0.154 62.958 63.100 0.020 0.000 0.785 82 P CB 0.620 32.324 31.700 0.007 0.000 0.923 83 V N 1.050 120.978 119.914 0.023 0.000 2.944 83 V HA 0.601 4.720 4.120 -0.002 0.000 0.259 83 V C -0.863 175.239 176.094 0.014 0.000 0.849 83 V CA 0.182 62.496 62.300 0.023 0.000 0.976 83 V CB 0.457 32.293 31.823 0.021 0.000 0.997 83 V HN 0.859 nan 8.190 nan 0.000 0.498 84 A N 2.961 125.789 122.820 0.014 0.000 2.592 84 A HA 0.826 5.145 4.320 -0.002 0.000 0.300 84 A C -0.336 177.236 177.584 -0.021 0.000 0.994 84 A CA 0.046 52.066 52.037 -0.028 0.000 0.707 84 A CB 0.643 19.623 19.000 -0.033 0.000 1.273 84 A HN 1.810 nan 8.150 nan 0.000 0.413 85 A N 1.302 124.032 122.820 -0.149 0.000 2.520 85 A HA 0.532 4.851 4.320 -0.002 0.000 0.235 85 A C 0.752 178.384 177.584 0.080 0.000 1.065 85 A CA 0.633 52.594 52.037 -0.127 0.000 0.764 85 A CB -0.122 18.317 19.000 -0.934 0.000 1.002 85 A HN 1.530 nan 8.150 nan 0.000 0.502 86 R N 1.521 122.143 120.500 0.203 0.000 2.438 86 R HA 0.366 4.705 4.340 -0.002 0.000 0.287 86 R C 0.594 177.069 176.300 0.292 0.000 1.077 86 R CA 0.290 56.489 56.100 0.164 0.000 1.034 86 R CB 0.459 30.772 30.300 0.021 0.000 0.993 86 R HN 0.602 nan 8.270 nan 0.000 0.459 87 S N 1.001 116.807 115.700 0.177 0.000 2.486 87 S HA -0.026 4.443 4.470 -0.002 0.000 0.220 87 S C 0.391 174.965 174.600 -0.043 0.000 1.011 87 S CA -0.167 58.061 58.200 0.048 0.000 0.921 87 S CB 0.077 63.308 63.200 0.051 0.000 0.785 87 S HN 0.662 nan 8.310 nan 0.000 0.517 88 T N 3.849 118.410 114.554 0.012 0.000 2.752 88 T HA 0.339 4.688 4.350 -0.002 0.000 0.295 88 T C 0.023 174.730 174.700 0.011 0.000 0.923 88 T CA -0.128 61.975 62.100 0.004 0.000 1.112 88 T CB 0.653 69.530 68.868 0.014 0.000 0.884 88 T HN 0.240 nan 8.240 nan 0.000 0.525 89 S N 3.209 118.907 115.700 -0.002 0.000 2.576 89 S HA 0.357 4.826 4.470 -0.002 0.000 0.276 89 S C 0.399 175.004 174.600 0.008 0.000 1.339 89 S CA -0.655 57.544 58.200 -0.002 0.000 1.039 89 S CB 0.369 63.575 63.200 0.009 0.000 0.902 89 S HN 0.525 nan 8.310 nan 0.000 0.516 90 I N 2.662 123.230 120.570 -0.004 0.000 2.354 90 I HA 0.373 4.542 4.170 -0.002 0.000 0.292 90 I C -0.503 175.623 176.117 0.016 0.000 0.989 90 I CA -0.367 60.943 61.300 0.016 0.000 1.188 90 I CB 1.013 39.030 38.000 0.029 0.000 1.342 90 I HN 0.439 nan 8.210 nan 0.000 0.457 91 I N 5.926 126.525 120.570 0.050 0.000 2.315 91 I HA 0.487 4.656 4.170 -0.002 0.000 0.291 91 I C 0.279 176.445 176.117 0.082 0.000 1.006 91 I CA -0.288 61.067 61.300 0.091 0.000 1.265 91 I CB 1.431 39.528 38.000 0.162 0.000 1.387 91 I HN 0.587 nan 8.210 nan 0.000 0.475 92 A N 4.738 127.604 122.820 0.077 0.000 2.318 92 A HA 0.661 4.980 4.320 -0.002 0.000 0.324 92 A C -0.090 177.552 177.584 0.096 0.000 1.170 92 A CA -0.475 51.606 52.037 0.074 0.000 0.810 92 A CB 0.823 19.855 19.000 0.053 0.000 1.198 92 A HN 0.645 nan 8.150 nan 0.000 0.484 93 T N 3.631 118.247 114.554 0.102 0.000 2.869 93 T HA 0.348 4.696 4.350 -0.002 0.000 0.295 93 T C 0.342 175.103 174.700 0.103 0.000 0.987 93 T CA -0.028 62.144 62.100 0.120 0.000 1.109 93 T CB 0.218 69.161 68.868 0.125 0.000 0.932 93 T HN 0.390 nan 8.240 nan 0.000 0.518 94 I N 3.354 123.993 120.570 0.115 0.000 2.371 94 I HA 0.527 4.696 4.170 -0.002 0.000 0.290 94 I C 0.953 177.142 176.117 0.120 0.000 1.028 94 I CA 0.104 61.462 61.300 0.098 0.000 1.345 94 I CB 0.398 38.449 38.000 0.085 0.000 1.407 94 I HN 0.807 nan 8.210 nan 0.000 0.501 95 G N 6.920 115.775 108.800 0.092 0.000 2.870 95 G HA2 0.503 4.462 3.960 -0.002 0.000 0.299 95 G HA3 0.503 4.462 3.960 -0.002 0.000 0.299 95 G C -2.522 172.426 174.900 0.079 0.000 1.324 95 G CA -0.472 44.694 45.100 0.110 0.000 0.808 95 G HN 0.263 nan 8.290 nan 0.000 0.535 96 P HA -0.036 nan 4.420 nan 0.000 0.218 96 P C 1.750 179.059 177.300 0.015 0.000 1.146 96 P CA 2.011 65.138 63.100 0.045 0.000 0.813 96 P CB 0.145 31.861 31.700 0.026 0.000 0.778 97 A N -0.529 122.298 122.820 0.011 0.000 2.119 97 A HA 0.024 4.343 4.320 -0.002 0.000 0.216 97 A C 1.503 179.089 177.584 0.003 0.000 1.152 97 A CA 1.430 53.465 52.037 -0.005 0.000 0.708 97 A CB -0.671 18.323 19.000 -0.009 0.000 0.805 97 A HN 0.309 nan 8.150 nan 0.000 0.460 98 S N -2.426 113.282 115.700 0.014 0.000 2.825 98 S HA 0.444 4.913 4.470 -0.002 0.000 0.242 98 S C 0.398 175.004 174.600 0.011 0.000 0.980 98 S CA -0.428 57.782 58.200 0.018 0.000 1.107 98 S CB 0.113 63.333 63.200 0.032 0.000 1.172 98 S HN 0.435 nan 8.310 nan 0.000 0.483 99 R N 1.227 121.723 120.500 -0.006 0.000 2.369 99 R HA 0.249 4.588 4.340 -0.002 0.000 0.210 99 R C 0.565 176.846 176.300 -0.031 0.000 0.881 99 R CA 0.667 56.747 56.100 -0.034 0.000 1.031 99 R CB 0.592 30.853 30.300 -0.066 0.000 1.184 99 R HN 0.531 nan 8.270 nan 0.000 0.581 100 S N 0.093 115.783 115.700 -0.017 0.000 2.533 100 S HA 0.023 4.492 4.470 -0.002 0.000 0.282 100 S C 1.584 176.183 174.600 -0.001 0.000 1.304 100 S CA -0.580 57.612 58.200 -0.013 0.000 1.063 100 S CB 1.535 64.730 63.200 -0.009 0.000 0.881 100 S HN -0.013 nan 8.310 nan 0.000 0.493 101 V N 3.351 123.265 119.914 -0.001 0.000 2.277 101 V HA -0.194 3.925 4.120 -0.002 0.000 0.253 101 V C 2.741 178.845 176.094 0.016 0.000 1.067 101 V CA 2.377 64.682 62.300 0.009 0.000 1.047 101 V CB -0.889 30.934 31.823 0.001 0.000 0.649 101 V HN 0.868 nan 8.190 nan 0.000 0.447 102 E N -0.546 119.659 120.200 0.007 0.000 2.150 102 E HA -0.189 4.160 4.350 -0.002 0.000 0.193 102 E C 2.272 178.888 176.600 0.026 0.000 0.985 102 E CA 1.062 57.469 56.400 0.011 0.000 0.814 102 E CB -0.255 29.447 29.700 0.002 0.000 0.752 102 E HN 0.537 nan 8.360 nan 0.000 0.466 103 R N 0.272 120.784 120.500 0.021 0.000 2.062 103 R HA -0.084 4.255 4.340 -0.002 0.000 0.231 103 R C 2.258 178.583 176.300 0.042 0.000 1.136 103 R CA 0.765 56.880 56.100 0.026 0.000 0.948 103 R CB -0.429 29.879 30.300 0.014 0.000 0.845 103 R HN 0.056 nan 8.270 nan 0.000 0.430 104 L N 1.451 122.700 121.223 0.043 0.000 2.021 104 L HA -0.247 4.091 4.340 -0.002 0.000 0.215 104 L C 2.028 178.957 176.870 0.099 0.000 1.074 104 L CA 1.921 56.797 54.840 0.060 0.000 0.760 104 L CB -1.023 41.071 42.059 0.057 0.000 0.889 104 L HN 0.254 nan 8.230 nan 0.000 0.433 105 K N -0.523 119.952 120.400 0.126 0.000 2.044 105 K HA -0.218 4.101 4.320 -0.002 0.000 0.210 105 K C 1.972 178.691 176.600 0.198 0.000 1.049 105 K CA 1.656 58.082 56.287 0.231 0.000 0.927 105 K CB -0.139 32.450 32.500 0.147 0.000 0.713 105 K HN 0.416 nan 8.250 nan 0.000 0.443 106 E N 0.335 120.601 120.200 0.112 0.000 2.085 106 E HA -0.190 4.159 4.350 -0.002 0.000 0.194 106 E C 2.038 178.667 176.600 0.048 0.000 0.994 106 E CA 1.353 57.799 56.400 0.077 0.000 0.801 106 E CB -0.039 29.694 29.700 0.055 0.000 0.743 106 E HN 0.300 nan 8.360 nan 0.000 0.453 107 M N 0.161 119.788 119.600 0.044 0.000 2.229 107 M HA -0.118 4.361 4.480 -0.002 0.000 0.264 107 M C 2.180 178.473 176.300 -0.012 0.000 1.063 107 M CA 1.078 56.390 55.300 0.020 0.000 1.114 107 M CB -0.065 32.551 32.600 0.027 0.000 1.387 107 M HN 0.127 nan 8.290 nan 0.000 0.420 108 I N 0.185 120.747 120.570 -0.014 0.000 2.113 108 I HA -0.317 3.852 4.170 -0.002 0.000 0.238 108 I C 2.219 178.241 176.117 -0.158 0.000 1.070 108 I CA 1.466 62.703 61.300 -0.104 0.000 1.332 108 I CB -0.601 37.317 38.000 -0.137 0.000 1.044 108 I HN 0.252 nan 8.210 nan 0.000 0.402 109 K N 0.986 121.316 120.400 -0.117 0.000 2.127 109 K HA -0.219 4.099 4.320 -0.002 0.000 0.208 109 K C 2.049 178.581 176.600 -0.114 0.000 1.047 109 K CA 1.770 57.992 56.287 -0.109 0.000 0.927 109 K CB -0.307 32.196 32.500 0.005 0.000 0.716 109 K HN 0.391 nan 8.250 nan 0.000 0.450 110 A N -0.273 122.496 122.820 -0.085 0.000 2.123 110 A HA 0.159 4.478 4.320 -0.002 0.000 0.214 110 A C 1.592 179.086 177.584 -0.151 0.000 1.152 110 A CA 1.251 53.225 52.037 -0.104 0.000 0.728 110 A CB 0.197 19.175 19.000 -0.036 0.000 0.814 110 A HN 0.449 nan 8.150 nan 0.000 0.464 111 G N -2.059 106.673 108.800 -0.113 0.000 2.902 111 G HA2 -0.074 3.885 3.960 -0.002 0.000 0.215 111 G HA3 -0.074 3.885 3.960 -0.002 0.000 0.215 111 G C 0.261 175.132 174.900 -0.048 0.000 0.976 111 G CA -0.008 45.047 45.100 -0.076 0.000 0.794 111 G HN 0.396 nan 8.290 nan 0.000 0.557 112 M N 1.302 120.868 119.600 -0.056 0.000 2.248 112 M HA 0.249 4.728 4.480 -0.002 0.000 0.343 112 M C 0.927 177.146 176.300 -0.135 0.000 1.243 112 M CA 1.289 56.553 55.300 -0.060 0.000 1.025 112 M CB 0.167 32.745 32.600 -0.037 0.000 1.759 112 M HN 0.263 nan 8.290 nan 0.000 0.452 113 N N 4.016 122.606 118.700 -0.184 0.000 2.297 113 N HA 0.354 5.092 4.740 -0.002 0.000 0.208 113 N C -0.901 174.432 175.510 -0.295 0.000 1.176 113 N CA -0.139 52.656 53.050 -0.425 0.000 0.882 113 N CB 0.829 38.896 38.487 -0.700 0.000 1.134 113 N HN 0.488 nan 8.380 nan 0.000 0.489 114 I N 0.819 121.324 120.570 -0.109 0.000 2.534 114 I HA 0.508 4.677 4.170 -0.002 0.000 0.288 114 I C -1.084 175.046 176.117 0.022 0.000 1.077 114 I CA -1.103 60.187 61.300 -0.016 0.000 1.051 114 I CB 2.077 40.110 38.000 0.056 0.000 1.234 114 I HN -0.094 nan 8.210 nan 0.000 0.425 115 A N 6.422 129.256 122.820 0.023 0.000 2.301 115 A HA 0.634 4.953 4.320 -0.002 0.000 0.298 115 A C -0.261 177.354 177.584 0.052 0.000 1.185 115 A CA -0.497 51.567 52.037 0.046 0.000 0.830 115 A CB 0.793 19.820 19.000 0.044 0.000 1.112 115 A HN 0.805 nan 8.150 nan 0.000 0.508 116 R N 3.405 123.965 120.500 0.100 0.000 2.310 116 R HA 0.537 4.876 4.340 -0.002 0.000 0.324 116 R C -1.523 174.866 176.300 0.148 0.000 0.955 116 R CA -0.456 55.721 56.100 0.128 0.000 0.830 116 R CB 0.476 30.930 30.300 0.257 0.000 1.154 116 R HN 0.734 nan 8.270 nan 0.000 0.458 117 L N 4.132 125.441 121.223 0.145 0.000 2.257 117 L HA 0.327 4.665 4.340 -0.002 0.000 0.290 117 L C 0.050 177.051 176.870 0.219 0.000 1.044 117 L CA -0.882 54.077 54.840 0.199 0.000 0.810 117 L CB 1.126 43.314 42.059 0.216 0.000 1.193 117 L HN 0.510 nan 8.230 nan 0.000 0.425 118 N N 2.724 121.563 118.700 0.232 0.000 2.521 118 N HA 0.150 4.889 4.740 -0.002 0.000 0.236 118 N C 0.249 175.871 175.510 0.185 0.000 1.067 118 N CA -0.257 52.933 53.050 0.234 0.000 0.939 118 N CB 0.388 39.024 38.487 0.248 0.000 1.201 118 N HN 0.373 nan 8.380 nan 0.000 0.511 119 F N 1.243 121.164 119.950 -0.048 0.000 2.771 119 F HA 0.037 4.563 4.527 -0.002 0.000 0.299 119 F C 2.216 178.004 175.800 -0.019 0.000 1.177 119 F CA 0.301 58.242 58.000 -0.097 0.000 1.450 119 F CB -0.004 38.885 39.000 -0.184 0.000 1.114 119 F HN 0.448 nan 8.300 nan 0.000 0.587 120 S N -1.378 114.353 115.700 0.052 0.000 2.507 120 S HA -0.074 4.395 4.470 -0.002 0.000 0.235 120 S C 0.212 174.504 174.600 -0.513 0.000 0.988 120 S CA 0.725 58.797 58.200 -0.213 0.000 0.944 120 S CB -0.349 62.672 63.200 -0.299 0.000 0.762 120 S HN 0.269 nan 8.310 nan 0.000 0.526 121 H N -1.067 118.035 119.070 0.052 0.000 2.974 121 H HA 0.490 5.044 4.556 -0.002 0.000 0.366 121 H C 0.230 175.467 175.328 -0.152 0.000 1.155 121 H CA -0.073 55.943 56.048 -0.054 0.000 1.186 121 H CB 1.201 30.915 29.762 -0.079 0.000 1.799 121 H HN 0.271 nan 8.280 nan 0.000 0.541 122 G N 1.298 109.974 108.800 -0.207 0.000 2.705 122 G HA2 -0.119 3.840 3.960 -0.002 0.000 0.686 122 G HA3 -0.119 3.840 3.960 -0.002 0.000 0.686 122 G C -0.042 174.706 174.900 -0.254 0.000 1.285 122 G CA -0.225 44.545 45.100 -0.549 0.000 0.800 122 G HN 0.863 nan 8.290 nan 0.000 0.611 123 S N 0.021 115.595 115.700 -0.210 0.000 2.686 123 S HA 0.600 5.069 4.470 -0.002 0.000 0.270 123 S C 1.236 175.864 174.600 0.046 0.000 1.194 123 S CA 0.382 58.550 58.200 -0.052 0.000 0.990 123 S CB 1.179 64.357 63.200 -0.038 0.000 1.029 123 S HN 0.793 nan 8.310 nan 0.000 0.560 124 H N 0.836 119.850 119.070 -0.094 0.000 2.321 124 H HA 0.023 4.578 4.556 -0.002 0.000 0.300 124 H C 2.000 177.301 175.328 -0.046 0.000 1.087 124 H CA 2.143 58.042 56.048 -0.248 0.000 1.319 124 H CB -0.687 29.023 29.762 -0.086 0.000 1.379 124 H HN 0.735 nan 8.280 nan 0.000 0.501 125 E N -0.175 120.140 120.200 0.192 0.000 2.097 125 E HA -0.215 4.134 4.350 -0.002 0.000 0.196 125 E C 2.108 178.755 176.600 0.077 0.000 1.000 125 E CA 1.252 57.745 56.400 0.156 0.000 0.804 125 E CB -0.626 29.145 29.700 0.119 0.000 0.740 125 E HN 0.586 nan 8.360 nan 0.000 0.454 126 Y N 0.558 120.780 120.300 -0.130 0.000 2.224 126 Y HA -0.239 4.309 4.550 -0.002 0.000 0.289 126 Y C 2.071 177.778 175.900 -0.322 0.000 1.146 126 Y CA 1.798 59.745 58.100 -0.255 0.000 1.182 126 Y CB 0.037 38.264 38.460 -0.389 0.000 0.983 126 Y HN 0.188 nan 8.280 nan 0.000 0.524 127 H N -0.836 118.187 119.070 -0.078 0.000 2.470 127 H HA 0.122 4.677 4.556 -0.002 0.000 0.289 127 H C 2.300 177.631 175.328 0.005 0.000 1.033 127 H CA 0.859 56.821 56.048 -0.143 0.000 1.331 127 H CB -0.357 29.194 29.762 -0.352 0.000 1.414 127 H HN 0.513 nan 8.280 nan 0.000 0.545 128 A N 1.372 124.303 122.820 0.186 0.000 1.902 128 A HA -0.166 4.153 4.320 -0.002 0.000 0.217 128 A C 2.265 179.874 177.584 0.041 0.000 1.181 128 A CA 1.449 53.564 52.037 0.131 0.000 0.623 128 A CB -0.303 18.796 19.000 0.164 0.000 0.818 128 A HN 0.397 nan 8.150 nan 0.000 0.443 129 E N -0.170 120.008 120.200 -0.036 0.000 2.110 129 E HA -0.123 4.226 4.350 -0.002 0.000 0.193 129 E C 2.291 178.825 176.600 -0.110 0.000 0.988 129 E CA 1.298 57.645 56.400 -0.088 0.000 0.804 129 E CB -0.135 29.466 29.700 -0.165 0.000 0.745 129 E HN 0.572 nan 8.360 nan 0.000 0.458 130 S N 0.640 116.242 115.700 -0.162 0.000 2.355 130 S HA -0.124 4.345 4.470 -0.002 0.000 0.222 130 S C 2.020 176.618 174.600 -0.004 0.000 1.031 130 S CA 0.765 58.898 58.200 -0.111 0.000 0.993 130 S CB -0.155 62.980 63.200 -0.107 0.000 0.859 130 S HN 0.176 nan 8.310 nan 0.000 0.453 131 I N 1.803 122.402 120.570 0.047 0.000 2.127 131 I HA -0.278 3.891 4.170 -0.002 0.000 0.241 131 I C 2.709 178.862 176.117 0.059 0.000 1.075 131 I CA 1.263 62.608 61.300 0.076 0.000 1.334 131 I CB -0.544 37.520 38.000 0.107 0.000 1.040 131 I HN 0.269 nan 8.210 nan 0.000 0.405 132 A N 0.615 123.465 122.820 0.050 0.000 1.917 132 A HA -0.294 4.025 4.320 -0.002 0.000 0.219 132 A C 2.037 179.640 177.584 0.032 0.000 1.182 132 A CA 2.549 54.612 52.037 0.044 0.000 0.633 132 A CB -1.134 17.888 19.000 0.037 0.000 0.819 132 A HN 0.583 nan 8.150 nan 0.000 0.448 133 N N -0.679 118.029 118.700 0.013 0.000 2.207 133 N HA -0.038 4.700 4.740 -0.002 0.000 0.182 133 N C 1.625 177.154 175.510 0.031 0.000 1.020 133 N CA 0.977 54.033 53.050 0.010 0.000 0.858 133 N CB -0.133 38.344 38.487 -0.016 0.000 0.991 133 N HN 0.260 nan 8.380 nan 0.000 0.427 134 V N 1.858 121.794 119.914 0.038 0.000 2.233 134 V HA -0.272 3.846 4.120 -0.002 0.000 0.247 134 V C 2.221 178.361 176.094 0.076 0.000 1.050 134 V CA 1.727 64.060 62.300 0.056 0.000 1.010 134 V CB -0.528 31.328 31.823 0.055 0.000 0.637 134 V HN 0.273 nan 8.190 nan 0.000 0.444 135 R N -0.502 120.044 120.500 0.076 0.000 2.117 135 R HA -0.242 4.097 4.340 -0.002 0.000 0.243 135 R C 2.390 178.748 176.300 0.096 0.000 1.143 135 R CA 1.944 58.099 56.100 0.092 0.000 0.968 135 R CB -0.327 30.021 30.300 0.081 0.000 0.863 135 R HN 0.676 nan 8.270 nan 0.000 0.444 136 E N 0.359 120.601 120.200 0.070 0.000 2.028 136 E HA -0.173 4.176 4.350 -0.002 0.000 0.191 136 E C 1.991 178.630 176.600 0.065 0.000 0.988 136 E CA 1.081 57.513 56.400 0.054 0.000 0.799 136 E CB -0.046 29.672 29.700 0.029 0.000 0.755 136 E HN 0.358 nan 8.360 nan 0.000 0.447 137 A N 0.558 123.425 122.820 0.078 0.000 1.908 137 A HA -0.173 4.145 4.320 -0.002 0.000 0.218 137 A C 2.393 180.115 177.584 0.230 0.000 1.181 137 A CA 1.707 53.813 52.037 0.114 0.000 0.627 137 A CB -0.735 18.340 19.000 0.124 0.000 0.818 137 A HN 0.237 nan 8.150 nan 0.000 0.445 138 V N 0.270 120.318 119.914 0.223 0.000 2.307 138 V HA -0.159 3.960 4.120 -0.002 0.000 0.245 138 V C 2.179 178.516 176.094 0.405 0.000 1.045 138 V CA 1.920 64.392 62.300 0.287 0.000 1.024 138 V CB -0.731 31.193 31.823 0.168 0.000 0.651 138 V HN 0.505 nan 8.190 nan 0.000 0.449 139 E N 0.771 121.145 120.200 0.289 0.000 2.511 139 E HA -0.064 4.285 4.350 -0.002 0.000 0.196 139 E C 2.314 179.012 176.600 0.164 0.000 1.066 139 E CA 1.022 57.585 56.400 0.271 0.000 0.871 139 E CB -0.364 29.427 29.700 0.152 0.000 0.863 139 E HN 0.774 nan 8.360 nan 0.000 0.520 140 S N -0.365 115.370 115.700 0.058 0.000 2.474 140 S HA -0.065 4.404 4.470 -0.002 0.000 0.235 140 S C 1.375 175.814 174.600 -0.268 0.000 0.997 140 S CA 0.374 58.467 58.200 -0.179 0.000 0.949 140 S CB -0.433 62.552 63.200 -0.359 0.000 0.766 140 S HN 0.162 nan 8.310 nan 0.000 0.517 141 F N 1.125 121.158 119.950 0.139 0.000 2.664 141 F HA 0.573 5.099 4.527 -0.002 0.000 0.303 141 F C 2.114 178.065 175.800 0.251 0.000 1.092 141 F CA -0.120 57.978 58.000 0.163 0.000 1.305 141 F CB -0.091 38.993 39.000 0.140 0.000 1.054 141 F HN 0.269 nan 8.300 nan 0.000 0.565 142 A N 0.296 123.319 122.820 0.338 0.000 2.209 142 A HA 0.100 4.419 4.320 -0.002 0.000 0.212 142 A C 2.472 180.103 177.584 0.079 0.000 1.158 142 A CA 1.098 53.228 52.037 0.155 0.000 0.742 142 A CB -1.198 17.806 19.000 0.007 0.000 0.790 142 A HN 0.407 nan 8.150 nan 0.000 0.472 143 G N -0.950 107.906 108.800 0.093 0.000 2.501 143 G HA2 0.062 4.021 3.960 -0.002 0.000 0.220 143 G HA3 0.062 4.021 3.960 -0.002 0.000 0.220 143 G C 0.526 175.469 174.900 0.070 0.000 1.114 143 G CA 1.098 46.231 45.100 0.056 0.000 0.757 143 G HN 0.437 nan 8.290 nan 0.000 0.559 144 S N -0.001 115.771 115.700 0.120 0.000 2.620 144 S HA 0.394 4.863 4.470 -0.002 0.000 0.244 144 S C -2.001 172.699 174.600 0.167 0.000 1.192 144 S CA -0.749 57.524 58.200 0.121 0.000 1.148 144 S CB 2.425 65.695 63.200 0.117 0.000 1.106 144 S HN -0.089 nan 8.310 nan 0.000 0.474 145 P HA -0.064 nan 4.420 nan 0.000 0.218 145 P C 1.128 178.626 177.300 0.331 0.000 1.148 145 P CA 0.900 64.131 63.100 0.218 0.000 0.822 145 P CB 0.070 31.873 31.700 0.173 0.000 0.784 146 L N -1.400 119.952 121.223 0.216 0.000 2.362 146 L HA -0.066 4.273 4.340 -0.002 0.000 0.219 146 L C 2.267 179.144 176.870 0.010 0.000 1.134 146 L CA 1.550 56.413 54.840 0.038 0.000 0.807 146 L CB -0.561 41.490 42.059 -0.013 0.000 0.927 146 L HN 0.114 nan 8.230 nan 0.000 0.447 147 S N -1.804 113.955 115.700 0.099 0.000 2.593 147 S HA 0.008 4.476 4.470 -0.002 0.000 0.235 147 S C 0.619 175.290 174.600 0.118 0.000 1.059 147 S CA -0.571 57.666 58.200 0.062 0.000 0.953 147 S CB -0.001 63.229 63.200 0.049 0.000 0.897 147 S HN 0.270 nan 8.310 nan 0.000 0.507 148 Y N 3.904 124.254 120.300 0.083 0.000 2.944 148 Y HA 0.104 4.653 4.550 -0.002 0.000 0.340 148 Y C 0.131 176.073 175.900 0.069 0.000 1.275 148 Y CA 0.648 58.809 58.100 0.102 0.000 1.590 148 Y CB 0.225 38.771 38.460 0.143 0.000 1.218 148 Y HN 0.192 nan 8.280 nan 0.000 0.576 149 R N 8.129 128.289 120.500 -0.567 0.000 2.239 149 R HA 0.324 4.663 4.340 -0.002 0.000 0.332 149 R C -2.493 173.440 176.300 -0.612 0.000 0.988 149 R CA -1.913 53.926 56.100 -0.436 0.000 0.859 149 R CB 0.777 30.882 30.300 -0.325 0.000 1.148 149 R HN 0.478 nan 8.270 nan 0.000 0.482 150 P HA 0.003 nan 4.420 nan 0.000 0.269 150 P C -0.764 176.567 177.300 0.052 0.000 1.209 150 P CA -0.143 62.890 63.100 -0.111 0.000 0.776 150 P CB 0.805 32.582 31.700 0.130 0.000 0.876 151 V N 2.341 122.275 119.914 0.034 0.000 2.531 151 V HA 0.559 4.677 4.120 -0.002 0.000 0.301 151 V C 0.352 176.493 176.094 0.079 0.000 1.034 151 V CA -0.848 61.464 62.300 0.020 0.000 0.865 151 V CB 1.495 33.301 31.823 -0.028 0.000 0.995 151 V HN 0.711 nan 8.190 nan 0.000 0.424 152 A N 5.988 128.868 122.820 0.099 0.000 2.313 152 A HA 0.806 5.124 4.320 -0.002 0.000 0.261 152 A C -0.408 177.194 177.584 0.030 0.000 1.090 152 A CA -0.195 51.893 52.037 0.084 0.000 0.807 152 A CB 0.332 19.395 19.000 0.105 0.000 1.055 152 A HN 0.758 nan 8.150 nan 0.000 0.492 153 I N 0.622 121.198 120.570 0.008 0.000 2.478 153 I HA 0.493 4.662 4.170 -0.002 0.000 0.287 153 I C 0.112 176.177 176.117 -0.086 0.000 1.042 153 I CA -0.239 61.055 61.300 -0.010 0.000 1.067 153 I CB 1.895 39.913 38.000 0.029 0.000 1.233 153 I HN 0.675 nan 8.210 nan 0.000 0.431 154 A N 7.249 129.967 122.820 -0.171 0.000 2.303 154 A HA 0.653 4.972 4.320 -0.002 0.000 0.320 154 A C -0.896 176.519 177.584 -0.282 0.000 1.192 154 A CA -0.497 51.294 52.037 -0.411 0.000 0.821 154 A CB 1.173 19.587 19.000 -0.977 0.000 1.188 154 A HN 0.780 nan 8.150 nan 0.000 0.492 155 L N 2.915 123.999 121.223 -0.231 0.000 2.278 155 L HA 0.334 4.673 4.340 -0.002 0.000 0.287 155 L C -0.617 176.192 176.870 -0.102 0.000 1.072 155 L CA -0.429 54.344 54.840 -0.111 0.000 0.819 155 L CB 0.639 42.582 42.059 -0.193 0.000 1.176 155 L HN 0.693 nan 8.230 nan 0.000 0.435 156 D N 3.949 124.393 120.400 0.074 0.000 2.329 156 D HA 0.125 4.764 4.640 -0.002 0.000 0.232 156 D C -0.387 175.998 176.300 0.142 0.000 1.088 156 D CA -0.179 53.923 54.000 0.169 0.000 0.835 156 D CB 1.547 42.518 40.800 0.285 0.000 1.078 156 D HN 0.456 nan 8.370 nan 0.000 0.495 157 T N 2.910 117.516 114.554 0.088 0.000 2.918 157 T HA 0.015 4.364 4.350 -0.002 0.000 0.302 157 T C 1.304 176.077 174.700 0.121 0.000 1.045 157 T CA -0.174 61.960 62.100 0.056 0.000 1.114 157 T CB 1.239 70.127 68.868 0.033 0.000 0.965 157 T HN 0.434 nan 8.240 nan 0.000 0.540 158 K N 2.415 122.888 120.400 0.122 0.000 1.991 158 K HA 0.125 4.444 4.320 -0.002 0.000 0.207 158 K C 1.103 177.801 176.600 0.163 0.000 1.045 158 K CA 1.189 57.551 56.287 0.125 0.000 0.937 158 K CB -0.729 31.826 32.500 0.092 0.000 0.720 158 K HN 0.936 nan 8.250 nan 0.000 0.438 159 G N 0.535 109.413 108.800 0.131 0.000 2.741 159 G HA2 -0.194 3.764 3.960 -0.002 0.000 0.222 159 G HA3 -0.194 3.764 3.960 -0.002 0.000 0.222 159 G C -2.437 172.486 174.900 0.038 0.000 1.364 159 G CA -0.189 45.003 45.100 0.152 0.000 0.866 159 G HN 0.289 nan 8.290 nan 0.000 0.555 160 P HA 0.213 nan 4.420 nan 0.000 0.232 160 P C 0.226 177.280 177.300 -0.410 0.000 1.738 160 P CA 0.206 63.172 63.100 -0.224 0.000 0.948 160 P CB -0.278 31.274 31.700 -0.247 0.000 1.943 161 E N 0.768 120.821 120.200 -0.246 0.000 2.415 161 E HA 0.197 4.546 4.350 -0.002 0.000 0.262 161 E C 0.219 176.711 176.600 -0.180 0.000 1.038 161 E CA -0.085 56.188 56.400 -0.213 0.000 0.921 161 E CB 0.739 30.414 29.700 -0.041 0.000 0.950 161 E HN 0.318 nan 8.360 nan 0.000 0.438 162 I N 2.545 123.009 120.570 -0.176 0.000 2.474 162 I HA 0.375 4.544 4.170 -0.002 0.000 0.294 162 I C 0.068 176.149 176.117 -0.061 0.000 1.005 162 I CA -0.558 60.658 61.300 -0.141 0.000 1.113 162 I CB 1.379 39.231 38.000 -0.246 0.000 1.289 162 I HN 0.319 nan 8.210 nan 0.000 0.436 163 R N 2.476 122.961 120.500 -0.025 0.000 2.808 163 R HA 0.529 4.868 4.340 -0.002 0.000 0.272 163 R C -0.652 175.676 176.300 0.046 0.000 0.995 163 R CA -0.807 55.311 56.100 0.029 0.000 0.917 163 R CB 2.449 32.790 30.300 0.068 0.000 1.217 163 R HN 0.698 nan 8.270 nan 0.000 0.471 164 T N -1.555 113.056 114.554 0.094 0.000 2.824 164 T HA 0.528 4.877 4.350 -0.002 0.000 0.277 164 T C 0.758 175.630 174.700 0.287 0.000 0.975 164 T CA -0.559 61.633 62.100 0.153 0.000 0.966 164 T CB 1.360 70.304 68.868 0.127 0.000 1.054 164 T HN 0.601 nan 8.240 nan 0.000 0.533 165 G N -0.439 108.607 108.800 0.409 0.000 2.537 165 G HA2 0.560 4.518 3.960 -0.002 0.000 0.297 165 G HA3 0.560 4.518 3.960 -0.002 0.000 0.297 165 G C -0.580 174.424 174.900 0.173 0.000 1.310 165 G CA -1.109 44.225 45.100 0.390 0.000 1.027 165 G HN 0.713 nan 8.290 nan 0.000 0.505 166 I N -0.306 120.309 120.570 0.074 0.000 2.581 166 I HA 0.252 4.421 4.170 -0.002 0.000 0.288 166 I C 0.317 176.451 176.117 0.027 0.000 1.047 166 I CA -0.349 60.971 61.300 0.033 0.000 1.374 166 I CB 1.303 39.298 38.000 -0.009 0.000 1.423 166 I HN 0.133 nan 8.210 nan 0.000 0.549 167 L N 3.818 125.057 121.223 0.027 0.000 2.468 167 L HA 0.252 4.591 4.340 -0.002 0.000 0.254 167 L C 0.493 177.365 176.870 0.004 0.000 1.171 167 L CA -0.027 54.830 54.840 0.028 0.000 0.809 167 L CB 0.272 42.349 42.059 0.030 0.000 1.155 167 L HN 0.588 nan 8.230 nan 0.000 0.473 168 Q N 1.181 120.985 119.800 0.006 0.000 2.337 168 Q HA 0.275 4.614 4.340 -0.002 0.000 0.255 168 Q C 0.850 176.842 176.000 -0.013 0.000 1.205 168 Q CA 0.827 56.623 55.803 -0.011 0.000 0.902 168 Q CB -0.314 28.421 28.738 -0.004 0.000 1.433 168 Q HN 0.901 nan 8.270 nan 0.000 0.471 169 G N 2.871 111.657 108.800 -0.023 0.000 2.166 169 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.260 169 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.260 169 G C 0.180 175.072 174.900 -0.013 0.000 0.986 169 G CA 0.050 45.138 45.100 -0.020 0.000 0.683 169 G HN 0.846 nan 8.290 nan 0.000 0.527 170 G N -0.547 108.248 108.800 -0.008 0.000 3.329 170 G HA2 0.658 4.617 3.960 -0.002 0.000 0.313 170 G HA3 0.658 4.617 3.960 -0.002 0.000 0.313 170 G C -1.192 173.709 174.900 0.001 0.000 1.611 170 G CA -0.368 44.731 45.100 -0.002 0.000 0.991 170 G HN 0.072 nan 8.290 nan 0.000 0.508 171 P HA -0.041 nan 4.420 nan 0.000 0.221 171 P C 1.016 178.316 177.300 -0.001 0.000 1.145 171 P CA 1.185 64.284 63.100 -0.002 0.000 0.795 171 P CB 0.591 32.286 31.700 -0.009 0.000 0.775 172 E N -1.608 118.591 120.200 -0.002 0.000 2.453 172 E HA 0.046 4.395 4.350 -0.002 0.000 0.211 172 E C 0.888 177.491 176.600 0.004 0.000 0.897 172 E CA -0.035 56.364 56.400 -0.001 0.000 1.063 172 E CB -0.172 29.525 29.700 -0.005 0.000 1.080 172 E HN 0.143 nan 8.360 nan 0.000 0.512 173 S N 0.570 116.273 115.700 0.005 0.000 2.606 173 S HA 0.191 4.660 4.470 -0.002 0.000 0.257 173 S C 0.177 174.785 174.600 0.014 0.000 1.327 173 S CA -0.467 57.737 58.200 0.008 0.000 0.984 173 S CB 0.781 63.984 63.200 0.006 0.000 0.941 173 S HN 0.023 nan 8.310 nan 0.000 0.576 174 E N -0.394 119.816 120.200 0.015 0.000 2.272 174 E HA 0.571 4.919 4.350 -0.002 0.000 0.269 174 E C -1.512 175.102 176.600 0.022 0.000 0.877 174 E CA -0.914 55.498 56.400 0.020 0.000 0.755 174 E CB 2.233 31.944 29.700 0.019 0.000 1.192 174 E HN 0.431 nan 8.360 nan 0.000 0.422 175 V N 1.914 121.845 119.914 0.028 0.000 2.630 175 V HA 0.241 4.360 4.120 -0.002 0.000 0.305 175 V C -0.132 175.980 176.094 0.029 0.000 1.046 175 V CA -0.603 61.714 62.300 0.030 0.000 0.934 175 V CB 1.787 33.632 31.823 0.037 0.000 1.003 175 V HN 0.641 nan 8.190 nan 0.000 0.451 176 E N 3.677 123.893 120.200 0.026 0.000 2.133 176 E HA 0.332 4.681 4.350 -0.002 0.000 0.274 176 E C -1.341 175.273 176.600 0.024 0.000 0.930 176 E CA -0.605 55.810 56.400 0.024 0.000 0.770 176 E CB 1.242 30.954 29.700 0.020 0.000 1.104 176 E HN 0.467 nan 8.360 nan 0.000 0.403 177 L N 5.686 126.923 121.223 0.024 0.000 2.302 177 L HA 0.234 4.572 4.340 -0.002 0.000 0.285 177 L C -0.178 176.702 176.870 0.015 0.000 1.090 177 L CA -0.391 54.461 54.840 0.021 0.000 0.866 177 L CB 0.822 42.894 42.059 0.021 0.000 1.244 177 L HN 0.354 nan 8.230 nan 0.000 0.435 178 V N 3.972 123.894 119.914 0.013 0.000 2.572 178 V HA 0.035 4.153 4.120 -0.002 0.000 0.291 178 V C 0.939 177.036 176.094 0.006 0.000 1.039 178 V CA -0.554 61.752 62.300 0.010 0.000 1.055 178 V CB 0.954 32.783 31.823 0.010 0.000 0.969 178 V HN 0.672 nan 8.190 nan 0.000 0.482 179 K N 3.411 123.814 120.400 0.005 0.000 2.511 179 K HA 0.148 4.466 4.320 -0.002 0.000 0.277 179 K C 1.286 177.885 176.600 -0.002 0.000 1.025 179 K CA 1.211 57.498 56.287 -0.000 0.000 1.112 179 K CB -0.225 32.276 32.500 0.002 0.000 0.859 179 K HN 1.120 nan 8.250 nan 0.000 0.485 180 G N 2.118 110.915 108.800 -0.006 0.000 2.217 180 G HA2 -0.311 3.647 3.960 -0.002 0.000 0.246 180 G HA3 -0.311 3.647 3.960 -0.002 0.000 0.246 180 G C 0.001 174.898 174.900 -0.005 0.000 0.990 180 G CA 0.360 45.456 45.100 -0.006 0.000 0.627 180 G HN 0.847 nan 8.290 nan 0.000 0.522 181 S N -0.260 115.439 115.700 -0.002 0.000 2.632 181 S HA 0.681 5.150 4.470 -0.002 0.000 0.271 181 S C -0.044 174.556 174.600 -0.001 0.000 1.260 181 S CA -0.267 57.933 58.200 0.001 0.000 1.010 181 S CB 1.938 65.141 63.200 0.006 0.000 0.965 181 S HN 0.376 nan 8.310 nan 0.000 0.534 182 Q N 0.492 120.292 119.800 0.001 0.000 2.296 182 Q HA 0.524 4.863 4.340 -0.002 0.000 0.262 182 Q C -1.258 174.744 176.000 0.004 0.000 0.981 182 Q CA 0.029 55.831 55.803 -0.000 0.000 0.905 182 Q CB 1.068 29.806 28.738 0.001 0.000 1.186 182 Q HN 0.588 nan 8.270 nan 0.000 0.399 183 V N 4.678 124.591 119.914 -0.001 0.000 2.525 183 V HA 0.306 4.425 4.120 -0.002 0.000 0.299 183 V C -1.148 174.944 176.094 -0.004 0.000 1.034 183 V CA -0.923 61.379 62.300 0.004 0.000 0.863 183 V CB 1.669 33.494 31.823 0.004 0.000 0.999 183 V HN 0.613 nan 8.190 nan 0.000 0.423 184 L N 7.197 128.421 121.223 0.001 0.000 2.265 184 L HA 0.583 4.922 4.340 -0.002 0.000 0.288 184 L C -0.304 176.558 176.870 -0.013 0.000 1.058 184 L CA 0.299 55.129 54.840 -0.017 0.000 0.809 184 L CB 1.471 43.513 42.059 -0.028 0.000 1.179 184 L HN 0.442 nan 8.230 nan 0.000 0.429 185 V N 4.808 124.702 119.914 -0.033 0.000 2.294 185 V HA 0.403 4.522 4.120 -0.002 0.000 0.272 185 V C 0.465 176.513 176.094 -0.077 0.000 1.027 185 V CA -0.371 61.905 62.300 -0.041 0.000 0.823 185 V CB 0.781 32.573 31.823 -0.052 0.000 1.030 185 V HN 0.925 nan 8.190 nan 0.000 0.457 186 T N 1.376 115.890 114.554 -0.067 0.000 2.902 186 T HA 0.523 4.871 4.350 -0.002 0.000 0.280 186 T C 0.697 175.291 174.700 -0.175 0.000 0.992 186 T CA -0.116 61.932 62.100 -0.088 0.000 1.015 186 T CB 1.883 70.693 68.868 -0.097 0.000 1.044 186 T HN 0.635 nan 8.240 nan 0.000 0.520 187 V N -2.809 117.028 119.914 -0.128 0.000 3.253 187 V HA 0.309 4.427 4.120 -0.002 0.000 0.320 187 V C 0.273 176.533 176.094 0.276 0.000 1.442 187 V CA -0.554 61.619 62.300 -0.211 0.000 1.097 187 V CB -0.326 31.384 31.823 -0.189 0.000 1.008 187 V HN 0.875 nan 8.190 nan 0.000 0.463 188 D N 3.559 124.166 120.400 0.344 0.000 2.412 188 D HA 0.160 4.798 4.640 -0.002 0.000 0.257 188 D C -0.909 175.692 176.300 0.502 0.000 1.217 188 D CA -1.597 52.603 54.000 0.333 0.000 0.897 188 D CB 1.941 42.806 40.800 0.108 0.000 1.132 188 D HN 0.189 nan 8.370 nan 0.000 0.493 189 P HA -0.253 nan 4.420 nan 0.000 0.218 189 P C 0.934 178.217 177.300 -0.029 0.000 1.150 189 P CA 1.519 64.721 63.100 0.170 0.000 0.841 189 P CB 0.158 31.930 31.700 0.120 0.000 0.784 190 A N -1.136 121.750 122.820 0.111 0.000 1.930 190 A HA -0.106 4.213 4.320 -0.002 0.000 0.217 190 A C 1.788 179.291 177.584 -0.135 0.000 1.175 190 A CA 1.163 53.207 52.037 0.012 0.000 0.627 190 A CB -1.457 17.602 19.000 0.098 0.000 0.815 190 A HN 0.101 nan 8.150 nan 0.000 0.443 191 F N -0.272 119.539 119.950 -0.232 0.000 2.797 191 F HA 0.167 4.692 4.527 -0.002 0.000 0.302 191 F C 1.974 177.474 175.800 -0.500 0.000 1.130 191 F CA 0.233 58.108 58.000 -0.210 0.000 1.387 191 F CB -0.217 38.808 39.000 0.041 0.000 1.107 191 F HN 0.221 nan 8.300 nan 0.000 0.577 192 R N -0.028 119.856 120.500 -1.028 0.000 2.332 192 R HA -0.204 4.135 4.340 -0.002 0.000 0.239 192 R C 1.632 177.627 176.300 -0.509 0.000 1.160 192 R CA 1.816 57.060 56.100 -1.427 0.000 1.020 192 R CB -0.306 29.034 30.300 -1.600 0.000 0.859 192 R HN 0.306 nan 8.270 nan 0.000 0.478 193 T N -1.619 112.743 114.554 -0.320 0.000 2.969 193 T HA 0.223 4.571 4.350 -0.002 0.000 0.258 193 T C 0.621 175.251 174.700 -0.116 0.000 0.962 193 T CA -0.342 61.650 62.100 -0.180 0.000 0.903 193 T CB 0.309 69.067 68.868 -0.183 0.000 1.177 193 T HN 0.223 nan 8.240 nan 0.000 0.511 194 R N 1.614 122.039 120.500 -0.125 0.000 3.782 194 R HA 0.431 4.770 4.340 -0.002 0.000 0.291 194 R C 0.595 176.922 176.300 0.044 0.000 1.539 194 R CA -0.362 55.674 56.100 -0.107 0.000 1.345 194 R CB 0.454 30.555 30.300 -0.333 0.000 1.408 194 R HN 0.280 nan 8.270 nan 0.000 0.654 195 G N 0.720 109.563 108.800 0.070 0.000 2.377 195 G HA2 0.257 4.216 3.960 -0.002 0.000 0.299 195 G HA3 0.257 4.216 3.960 -0.002 0.000 0.299 195 G C -0.392 174.558 174.900 0.082 0.000 1.150 195 G CA -0.371 44.801 45.100 0.119 0.000 0.847 195 G HN 0.398 nan 8.290 nan 0.000 0.501 196 N N -0.492 118.262 118.700 0.091 0.000 3.479 196 N HA 0.505 5.244 4.740 -0.002 0.000 0.336 196 N C 1.021 176.568 175.510 0.060 0.000 1.623 196 N CA -0.113 52.975 53.050 0.064 0.000 0.759 196 N CB 0.635 39.156 38.487 0.056 0.000 2.016 196 N HN 0.442 nan 8.380 nan 0.000 0.637 197 A N -1.099 121.749 122.820 0.046 0.000 2.178 197 A HA -0.047 4.272 4.320 -0.002 0.000 0.218 197 A C 0.728 178.335 177.584 0.039 0.000 1.157 197 A CA 1.223 53.284 52.037 0.039 0.000 0.689 197 A CB -0.811 18.207 19.000 0.030 0.000 0.787 197 A HN 0.599 nan 8.150 nan 0.000 0.465 198 N N -1.561 117.168 118.700 0.048 0.000 2.166 198 N HA 0.073 4.812 4.740 -0.002 0.000 0.213 198 N C -0.745 174.799 175.510 0.057 0.000 1.222 198 N CA 0.401 53.477 53.050 0.045 0.000 0.900 198 N CB 0.937 39.447 38.487 0.039 0.000 1.055 198 N HN 0.186 nan 8.380 nan 0.000 0.515 199 T N 1.148 115.753 114.554 0.085 0.000 2.864 199 T HA 0.412 4.761 4.350 -0.002 0.000 0.299 199 T C -0.358 174.425 174.700 0.138 0.000 1.011 199 T CA -0.614 61.556 62.100 0.116 0.000 0.975 199 T CB 2.100 71.082 68.868 0.191 0.000 0.962 199 T HN -0.046 nan 8.240 nan 0.000 0.448 200 V N 1.999 121.986 119.914 0.121 0.000 2.495 200 V HA 0.857 4.976 4.120 -0.002 0.000 0.298 200 V C -1.144 175.064 176.094 0.192 0.000 1.031 200 V CA -1.065 61.325 62.300 0.149 0.000 0.871 200 V CB 1.585 33.464 31.823 0.093 0.000 0.988 200 V HN 0.935 nan 8.190 nan 0.000 0.432 201 W N 4.787 126.126 121.300 0.065 0.000 2.570 201 W HA 0.783 5.441 4.660 -0.002 0.000 0.337 201 W C -1.213 175.340 176.519 0.057 0.000 1.067 201 W CA -0.678 56.706 57.345 0.065 0.000 1.229 201 W CB 1.823 31.349 29.460 0.110 0.000 1.355 201 W HN 0.698 nan 8.180 nan 0.000 0.555 202 V N 5.402 124.734 119.914 -0.970 0.000 2.925 202 V HA 0.201 4.320 4.120 -0.002 0.000 0.311 202 V C -0.218 175.006 176.094 -1.450 0.000 1.104 202 V CA -0.629 61.177 62.300 -0.822 0.000 0.954 202 V CB 2.216 33.826 31.823 -0.355 0.000 1.022 202 V HN 0.632 nan 8.190 nan 0.000 0.427 203 D N 2.826 122.766 120.400 -0.768 0.000 2.352 203 D HA 0.005 4.643 4.640 -0.002 0.000 0.236 203 D C -0.349 175.871 176.300 -0.133 0.000 1.148 203 D CA 0.242 53.986 54.000 -0.428 0.000 0.844 203 D CB -0.213 40.619 40.800 0.054 0.000 0.933 203 D HN 0.393 nan 8.370 nan 0.000 0.507 204 Y N 0.290 120.388 120.300 -0.337 0.000 2.681 204 Y HA 0.337 4.885 4.550 -0.002 0.000 0.347 204 Y C -2.048 173.733 175.900 -0.198 0.000 1.029 204 Y CA -2.382 55.598 58.100 -0.199 0.000 1.279 204 Y CB 1.724 40.085 38.460 -0.166 0.000 1.096 204 Y HN -0.214 nan 8.280 nan 0.000 0.580 205 P HA -0.241 nan 4.420 nan 0.000 0.218 205 P C 0.838 177.935 177.300 -0.339 0.000 1.152 205 P CA 1.745 64.672 63.100 -0.289 0.000 0.857 205 P CB 0.423 31.991 31.700 -0.219 0.000 0.787 206 N N -1.078 117.236 118.700 -0.643 0.000 2.550 206 N HA -0.049 4.690 4.740 -0.002 0.000 0.186 206 N C 1.669 177.111 175.510 -0.113 0.000 1.110 206 N CA 0.301 53.080 53.050 -0.452 0.000 0.912 206 N CB -0.664 37.466 38.487 -0.595 0.000 0.968 206 N HN 0.241 nan 8.380 nan 0.000 0.448 207 I N 1.155 121.753 120.570 0.045 0.000 2.194 207 I HA -0.281 3.888 4.170 -0.002 0.000 0.246 207 I C 2.075 178.208 176.117 0.026 0.000 1.093 207 I CA 0.988 62.378 61.300 0.150 0.000 1.355 207 I CB 0.028 38.098 38.000 0.117 0.000 1.046 207 I HN -0.010 nan 8.210 nan 0.000 0.413 208 V N -0.358 119.538 119.914 -0.031 0.000 2.469 208 V HA -0.266 3.853 4.120 -0.002 0.000 0.251 208 V C 2.511 178.588 176.094 -0.029 0.000 1.064 208 V CA 2.225 64.500 62.300 -0.041 0.000 1.066 208 V CB -1.078 30.709 31.823 -0.061 0.000 0.667 208 V HN 0.551 nan 8.190 nan 0.000 0.461 209 R N 0.076 120.559 120.500 -0.030 0.000 2.280 209 R HA 0.149 4.487 4.340 -0.002 0.000 0.195 209 R C 1.541 177.840 176.300 -0.001 0.000 0.935 209 R CA 1.285 57.370 56.100 -0.024 0.000 1.033 209 R CB 0.394 30.669 30.300 -0.043 0.000 0.964 209 R HN 0.535 nan 8.270 nan 0.000 0.489 210 V N 0.459 120.387 119.914 0.023 0.000 3.455 210 V HA 0.141 4.260 4.120 -0.002 0.000 0.250 210 V C 0.580 176.686 176.094 0.020 0.000 1.230 210 V CA 0.134 62.456 62.300 0.037 0.000 1.105 210 V CB 1.223 33.099 31.823 0.088 0.000 0.850 210 V HN -0.048 nan 8.190 nan 0.000 0.461 211 V N 4.524 124.446 119.914 0.013 0.000 2.334 211 V HA 0.348 4.467 4.120 -0.002 0.000 0.267 211 V C -2.034 174.055 176.094 -0.009 0.000 1.040 211 V CA -1.561 60.739 62.300 -0.001 0.000 0.866 211 V CB 0.577 32.396 31.823 -0.007 0.000 1.019 211 V HN 0.329 nan 8.190 nan 0.000 0.468 212 P HA 0.269 nan 4.420 nan 0.000 0.276 212 P C -0.207 177.083 177.300 -0.017 0.000 1.244 212 P CA -0.352 62.740 63.100 -0.013 0.000 0.801 212 P CB 1.142 32.836 31.700 -0.011 0.000 1.006 213 V N 1.244 121.148 119.914 -0.017 0.000 2.644 213 V HA 0.148 4.267 4.120 -0.002 0.000 0.303 213 V C 1.851 177.934 176.094 -0.019 0.000 1.058 213 V CA 1.762 64.051 62.300 -0.019 0.000 1.228 213 V CB -1.149 30.664 31.823 -0.016 0.000 0.861 213 V HN 1.128 nan 8.190 nan 0.000 0.484 214 G N 3.192 111.978 108.800 -0.023 0.000 2.194 214 G HA2 -0.119 3.840 3.960 -0.002 0.000 0.236 214 G HA3 -0.119 3.840 3.960 -0.002 0.000 0.236 214 G C 0.512 175.396 174.900 -0.026 0.000 0.987 214 G CA -0.093 44.993 45.100 -0.023 0.000 0.635 214 G HN 1.427 nan 8.290 nan 0.000 0.520 215 G N -0.415 108.369 108.800 -0.027 0.000 2.539 215 G HA2 0.555 4.514 3.960 -0.002 0.000 0.258 215 G HA3 0.555 4.514 3.960 -0.002 0.000 0.258 215 G C 0.095 174.967 174.900 -0.045 0.000 1.202 215 G CA 0.042 45.126 45.100 -0.027 0.000 0.851 215 G HN 0.519 nan 8.290 nan 0.000 0.556 216 R N -0.397 120.073 120.500 -0.049 0.000 2.532 216 R HA 0.633 4.972 4.340 -0.002 0.000 0.272 216 R C -0.675 175.573 176.300 -0.087 0.000 1.032 216 R CA -0.581 55.455 56.100 -0.108 0.000 1.089 216 R CB 0.761 30.973 30.300 -0.146 0.000 1.098 216 R HN 0.393 nan 8.270 nan 0.000 0.526 217 I N 3.013 123.495 120.570 -0.147 0.000 2.531 217 I HA 0.190 4.358 4.170 -0.002 0.000 0.283 217 I C -1.327 174.727 176.117 -0.105 0.000 1.083 217 I CA -0.476 60.779 61.300 -0.074 0.000 1.071 217 I CB 1.442 39.412 38.000 -0.051 0.000 1.210 217 I HN 0.580 nan 8.210 nan 0.000 0.450 218 Y N 6.325 126.619 120.300 -0.010 0.000 2.304 218 Y HA 0.587 5.135 4.550 -0.002 0.000 0.328 218 Y C 0.170 176.070 175.900 0.001 0.000 1.123 218 Y CA -0.167 57.933 58.100 0.000 0.000 1.218 218 Y CB 1.295 39.759 38.460 0.006 0.000 1.207 218 Y HN 0.322 nan 8.280 nan 0.000 0.495 219 I N 2.391 123.066 120.570 0.175 0.000 2.582 219 I HA 0.183 4.351 4.170 -0.002 0.000 0.292 219 I C -1.002 175.180 176.117 0.109 0.000 1.066 219 I CA -1.015 60.349 61.300 0.108 0.000 1.053 219 I CB 1.944 39.982 38.000 0.064 0.000 1.241 219 I HN 0.641 nan 8.210 nan 0.000 0.421 220 D N 4.859 125.313 120.400 0.089 0.000 3.278 220 D HA -0.231 4.408 4.640 -0.002 0.000 0.233 220 D C 0.082 176.429 176.300 0.078 0.000 1.149 220 D CA 1.128 55.175 54.000 0.080 0.000 0.957 220 D CB -0.467 40.375 40.800 0.070 0.000 0.913 220 D HN 0.768 nan 8.370 nan 0.000 0.409 221 D N 0.896 121.338 120.400 0.071 0.000 3.070 221 D HA -0.144 4.495 4.640 -0.002 0.000 0.210 221 D C 1.095 177.412 176.300 0.028 0.000 1.103 221 D CA 2.641 56.670 54.000 0.049 0.000 0.980 221 D CB -1.317 39.512 40.800 0.048 0.000 1.100 221 D HN 1.465 nan 8.370 nan 0.000 0.423 222 G N -0.795 108.044 108.800 0.066 0.000 2.147 222 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.244 222 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.244 222 G C 1.004 176.028 174.900 0.207 0.000 1.005 222 G CA 0.565 45.715 45.100 0.084 0.000 0.713 222 G HN 0.509 nan 8.290 nan 0.000 0.515 223 L N -0.522 120.795 121.223 0.157 0.000 2.354 223 L HA 0.355 4.694 4.340 -0.002 0.000 0.212 223 L C 1.162 178.109 176.870 0.129 0.000 1.091 223 L CA 0.346 55.262 54.840 0.126 0.000 0.828 223 L CB 0.018 42.125 42.059 0.079 0.000 0.973 223 L HN 0.194 nan 8.230 nan 0.000 0.461 224 I N -0.614 120.036 120.570 0.133 0.000 2.412 224 I HA 0.218 4.386 4.170 -0.002 0.000 0.296 224 I C -0.053 176.081 176.117 0.027 0.000 0.987 224 I CA 0.111 61.455 61.300 0.073 0.000 1.180 224 I CB 1.602 39.633 38.000 0.053 0.000 1.340 224 I HN -0.163 nan 8.210 nan 0.000 0.455 225 S N 7.232 122.886 115.700 -0.076 0.000 2.605 225 S HA 0.731 5.199 4.470 -0.002 0.000 0.308 225 S C -0.867 173.621 174.600 -0.187 0.000 1.113 225 S CA -0.530 57.509 58.200 -0.269 0.000 1.049 225 S CB 0.661 63.687 63.200 -0.291 0.000 1.001 225 S HN 0.437 nan 8.310 nan 0.000 0.480 226 L N 4.580 125.682 121.223 -0.202 0.000 2.365 226 L HA 0.712 5.051 4.340 -0.002 0.000 0.273 226 L C -0.986 175.806 176.870 -0.130 0.000 1.000 226 L CA -1.054 53.712 54.840 -0.124 0.000 0.819 226 L CB 2.165 44.177 42.059 -0.079 0.000 1.284 226 L HN 0.358 nan 8.230 nan 0.000 0.418 227 V N 2.717 122.575 119.914 -0.092 0.000 2.448 227 V HA 0.301 4.420 4.120 -0.002 0.000 0.295 227 V C 0.102 176.164 176.094 -0.053 0.000 1.025 227 V CA -0.876 61.378 62.300 -0.076 0.000 0.859 227 V CB 1.812 33.594 31.823 -0.068 0.000 0.988 227 V HN 0.413 nan 8.190 nan 0.000 0.431 228 V N 6.026 125.912 119.914 -0.047 0.000 2.421 228 V HA 0.066 4.184 4.120 -0.002 0.000 0.271 228 V C 1.263 177.339 176.094 -0.030 0.000 1.031 228 V CA 0.313 62.592 62.300 -0.036 0.000 1.032 228 V CB 0.427 32.231 31.823 -0.032 0.000 1.009 228 V HN 1.109 nan 8.190 nan 0.000 0.477 229 Q N 2.946 122.730 119.800 -0.027 0.000 2.350 229 Q HA 0.306 4.645 4.340 -0.002 0.000 0.225 229 Q C 0.083 176.071 176.000 -0.020 0.000 0.878 229 Q CA -0.072 55.718 55.803 -0.022 0.000 0.935 229 Q CB 0.951 29.677 28.738 -0.021 0.000 1.099 229 Q HN 0.460 nan 8.270 nan 0.000 0.527 230 K N 1.282 121.670 120.400 -0.021 0.000 2.535 230 K HA 0.358 4.677 4.320 -0.002 0.000 0.251 230 K C -1.634 174.952 176.600 -0.024 0.000 0.942 230 K CA -0.591 55.683 56.287 -0.020 0.000 0.798 230 K CB 2.530 35.019 32.500 -0.018 0.000 1.267 230 K HN 0.156 nan 8.250 nan 0.000 0.434 231 I N 2.695 123.251 120.570 -0.023 0.000 2.312 231 I HA 0.433 4.601 4.170 -0.002 0.000 0.291 231 I C 0.028 176.130 176.117 -0.026 0.000 1.031 231 I CA 0.271 61.556 61.300 -0.026 0.000 1.293 231 I CB 0.566 38.552 38.000 -0.024 0.000 1.403 231 I HN 0.647 nan 8.210 nan 0.000 0.484 232 G N 7.982 116.764 108.800 -0.031 0.000 2.932 232 G HA2 0.564 4.523 3.960 -0.002 0.000 0.283 232 G HA3 0.564 4.523 3.960 -0.002 0.000 0.283 232 G C -2.117 172.763 174.900 -0.034 0.000 1.336 232 G CA -0.687 44.395 45.100 -0.030 0.000 1.056 232 G HN 0.515 nan 8.290 nan 0.000 0.522 233 P HA 0.072 nan 4.420 nan 0.000 0.242 233 P C 0.060 177.337 177.300 -0.038 0.000 1.197 233 P CA 0.905 63.987 63.100 -0.029 0.000 0.765 233 P CB 0.495 32.181 31.700 -0.022 0.000 0.936 234 E N -2.251 117.917 120.200 -0.052 0.000 2.671 234 E HA 0.395 4.744 4.350 -0.002 0.000 0.204 234 E C 0.588 177.134 176.600 -0.091 0.000 0.940 234 E CA -0.265 56.092 56.400 -0.071 0.000 1.328 234 E CB 0.013 29.661 29.700 -0.086 0.000 1.214 234 E HN 0.112 nan 8.360 nan 0.000 0.624 235 G N 0.603 109.357 108.800 -0.077 0.000 2.667 235 G HA2 0.509 4.468 3.960 -0.002 0.000 0.294 235 G HA3 0.509 4.468 3.960 -0.002 0.000 0.294 235 G C -1.553 173.312 174.900 -0.058 0.000 1.467 235 G CA -1.089 43.964 45.100 -0.078 0.000 0.852 235 G HN 0.045 nan 8.290 nan 0.000 0.521 236 L N 1.701 122.892 121.223 -0.054 0.000 2.283 236 L HA 0.269 4.608 4.340 -0.002 0.000 0.287 236 L C 0.287 177.134 176.870 -0.037 0.000 1.073 236 L CA -0.823 53.991 54.840 -0.042 0.000 0.822 236 L CB 1.126 43.161 42.059 -0.041 0.000 1.186 236 L HN 0.199 nan 8.230 nan 0.000 0.436 237 V N 2.865 122.759 119.914 -0.032 0.000 2.409 237 V HA 0.063 4.181 4.120 -0.002 0.000 0.270 237 V C 0.876 176.955 176.094 -0.026 0.000 1.019 237 V CA -0.141 62.143 62.300 -0.026 0.000 1.066 237 V CB 0.115 31.925 31.823 -0.022 0.000 1.021 237 V HN 0.858 nan 8.190 nan 0.000 0.476 238 T N 2.241 116.779 114.554 -0.026 0.000 2.855 238 T HA 0.572 4.920 4.350 -0.002 0.000 0.281 238 T C -0.559 174.126 174.700 -0.026 0.000 1.007 238 T CA -0.774 61.308 62.100 -0.030 0.000 1.009 238 T CB 1.900 70.747 68.868 -0.036 0.000 0.983 238 T HN 0.617 nan 8.240 nan 0.000 0.455 239 Q N 1.809 121.591 119.800 -0.030 0.000 2.235 239 Q HA 0.497 4.836 4.340 -0.002 0.000 0.250 239 Q C -0.875 175.104 176.000 -0.035 0.000 0.909 239 Q CA -0.865 54.922 55.803 -0.027 0.000 0.910 239 Q CB 1.095 29.818 28.738 -0.025 0.000 1.223 239 Q HN 0.676 nan 8.270 nan 0.000 0.432 240 V N 4.822 124.720 119.914 -0.027 0.000 2.397 240 V HA -0.035 4.084 4.120 -0.002 0.000 0.262 240 V C 1.086 177.158 176.094 -0.036 0.000 1.047 240 V CA 0.339 62.620 62.300 -0.031 0.000 1.003 240 V CB 0.611 32.425 31.823 -0.015 0.000 1.037 240 V HN 0.986 nan 8.190 nan 0.000 0.480 241 E N 4.562 124.727 120.200 -0.059 0.000 2.008 241 E HA -0.073 4.276 4.350 -0.002 0.000 0.191 241 E C 0.546 177.124 176.600 -0.038 0.000 0.986 241 E CA 0.729 57.094 56.400 -0.058 0.000 0.807 241 E CB 0.267 29.909 29.700 -0.096 0.000 0.766 241 E HN 0.696 nan 8.360 nan 0.000 0.450 242 N N 0.238 118.912 118.700 -0.042 0.000 2.400 242 N HA 0.282 5.021 4.740 -0.002 0.000 0.288 242 N C -0.442 175.068 175.510 0.001 0.000 1.024 242 N CA -0.059 52.987 53.050 -0.007 0.000 0.894 242 N CB 1.768 40.266 38.487 0.017 0.000 1.173 242 N HN 0.216 nan 8.380 nan 0.000 0.487 243 G N -0.538 108.268 108.800 0.010 0.000 2.537 243 G HA2 0.741 4.700 3.960 -0.002 0.000 0.297 243 G HA3 0.741 4.700 3.960 -0.002 0.000 0.297 243 G C -0.118 174.796 174.900 0.023 0.000 1.310 243 G CA -0.276 44.833 45.100 0.014 0.000 1.027 243 G HN 0.679 nan 8.290 nan 0.000 0.505 244 G N -2.839 105.975 108.800 0.024 0.000 2.333 244 G HA2 0.373 4.332 3.960 -0.002 0.000 0.330 244 G HA3 0.373 4.332 3.960 -0.002 0.000 0.330 244 G C -1.104 173.814 174.900 0.029 0.000 1.465 244 G CA -0.422 44.694 45.100 0.028 0.000 0.996 244 G HN 1.125 nan 8.290 nan 0.000 0.655 245 V N 0.994 120.926 119.914 0.029 0.000 2.421 245 V HA 0.378 4.497 4.120 -0.002 0.000 0.271 245 V C 0.713 176.828 176.094 0.033 0.000 1.031 245 V CA 0.047 62.364 62.300 0.028 0.000 1.032 245 V CB 0.603 32.441 31.823 0.025 0.000 1.009 245 V HN 0.862 nan 8.190 nan 0.000 0.477 246 L N 6.081 127.326 121.223 0.036 0.000 2.307 246 L HA 0.878 5.216 4.340 -0.002 0.000 0.282 246 L C 0.578 177.473 176.870 0.042 0.000 1.051 246 L CA 0.586 55.452 54.840 0.043 0.000 0.804 246 L CB 1.382 43.469 42.059 0.048 0.000 1.197 246 L HN 0.582 nan 8.230 nan 0.000 0.431 247 G N 2.135 110.962 108.800 0.045 0.000 2.736 247 G HA2 0.494 4.453 3.960 -0.002 0.000 0.229 247 G HA3 0.494 4.453 3.960 -0.002 0.000 0.229 247 G C -1.086 173.846 174.900 0.053 0.000 1.380 247 G CA -0.652 44.473 45.100 0.042 0.000 1.040 247 G HN 0.624 nan 8.290 nan 0.000 0.568 248 S N 0.178 115.908 115.700 0.050 0.000 2.442 248 S HA 0.517 4.985 4.470 -0.002 0.000 0.297 248 S C -0.033 174.612 174.600 0.075 0.000 1.131 248 S CA -0.472 57.765 58.200 0.062 0.000 1.092 248 S CB 1.125 64.351 63.200 0.044 0.000 0.998 248 S HN 0.558 nan 8.310 nan 0.000 0.478 249 R N 1.070 121.630 120.500 0.100 0.000 3.184 249 R HA -0.126 4.213 4.340 -0.002 0.000 0.257 249 R C -0.884 175.478 176.300 0.104 0.000 0.999 249 R CA 0.457 56.625 56.100 0.114 0.000 0.670 249 R CB -1.461 28.901 30.300 0.104 0.000 1.197 249 R HN 0.565 nan 8.270 nan 0.000 0.419 250 K N -0.147 120.310 120.400 0.096 0.000 2.166 250 K HA 0.456 4.775 4.320 -0.002 0.000 0.245 250 K C 0.743 177.389 176.600 0.077 0.000 0.967 250 K CA -0.154 56.186 56.287 0.088 0.000 0.863 250 K CB 1.368 33.914 32.500 0.078 0.000 1.107 250 K HN 0.252 nan 8.250 nan 0.000 0.436 251 G N 0.741 109.588 108.800 0.078 0.000 2.378 251 G HA2 0.325 4.283 3.960 -0.002 0.000 0.255 251 G HA3 0.325 4.283 3.960 -0.002 0.000 0.255 251 G C -0.581 174.349 174.900 0.049 0.000 1.270 251 G CA -0.335 44.801 45.100 0.061 0.000 0.876 251 G HN 0.250 nan 8.290 nan 0.000 0.521 252 V N 3.774 123.697 119.914 0.016 0.000 2.581 252 V HA 0.443 4.562 4.120 -0.002 0.000 0.303 252 V C -0.111 175.974 176.094 -0.015 0.000 1.041 252 V CA -1.023 61.283 62.300 0.009 0.000 0.907 252 V CB 1.775 33.582 31.823 -0.026 0.000 0.994 252 V HN 0.775 nan 8.190 nan 0.000 0.442 253 N N 3.642 122.360 118.700 0.029 0.000 2.265 253 N HA 0.673 5.412 4.740 -0.002 0.000 0.300 253 N C -1.424 174.107 175.510 0.036 0.000 1.148 253 N CA -0.609 52.453 53.050 0.020 0.000 0.772 253 N CB 2.906 41.426 38.487 0.055 0.000 1.434 253 N HN 0.440 nan 8.380 nan 0.000 0.481 254 L N 1.683 122.905 121.223 -0.002 0.000 2.480 254 L HA 0.367 4.706 4.340 -0.002 0.000 0.253 254 L C -2.636 174.244 176.870 0.018 0.000 1.324 254 L CA -1.572 53.270 54.840 0.003 0.000 0.916 254 L CB 1.312 43.336 42.059 -0.059 0.000 1.160 254 L HN 0.170 nan 8.230 nan 0.000 0.503 255 P HA 0.225 nan 4.420 nan 0.000 0.271 255 P C 1.088 178.397 177.300 0.016 0.000 1.216 255 P CA 0.555 63.684 63.100 0.047 0.000 0.776 255 P CB 1.401 33.155 31.700 0.090 0.000 0.881 256 G N 1.753 110.541 108.800 -0.020 0.000 2.377 256 G HA2 -0.282 3.676 3.960 -0.002 0.000 0.250 256 G HA3 -0.282 3.676 3.960 -0.002 0.000 0.250 256 G C 0.443 175.327 174.900 -0.027 0.000 1.039 256 G CA 0.190 45.264 45.100 -0.044 0.000 0.625 256 G HN 0.895 nan 8.290 nan 0.000 0.526 257 A N 1.522 124.335 122.820 -0.012 0.000 2.354 257 A HA 0.603 4.921 4.320 -0.002 0.000 0.281 257 A C 0.730 178.309 177.584 -0.008 0.000 1.174 257 A CA 0.575 52.608 52.037 -0.006 0.000 0.828 257 A CB 0.232 19.231 19.000 -0.002 0.000 1.099 257 A HN 0.965 nan 8.150 nan 0.000 0.516 258 Q N 2.240 122.043 119.800 0.004 0.000 2.314 258 Q HA 0.505 4.844 4.340 -0.002 0.000 0.258 258 Q C -0.823 175.187 176.000 0.016 0.000 0.954 258 Q CA -0.383 55.426 55.803 0.010 0.000 0.890 258 Q CB 0.842 29.591 28.738 0.019 0.000 1.210 258 Q HN 0.342 nan 8.270 nan 0.000 0.410 259 V N 2.009 121.920 119.914 -0.005 0.000 2.975 259 V HA 0.201 4.320 4.120 -0.002 0.000 0.318 259 V C -0.169 175.946 176.094 0.036 0.000 1.077 259 V CA -0.469 61.820 62.300 -0.018 0.000 1.000 259 V CB 1.711 33.438 31.823 -0.159 0.000 1.066 259 V HN 1.058 nan 8.190 nan 0.000 0.452 260 D N -0.216 120.240 120.400 0.093 0.000 2.562 260 D HA 0.181 4.820 4.640 -0.002 0.000 0.246 260 D C -0.169 176.177 176.300 0.076 0.000 1.347 260 D CA -0.383 53.666 54.000 0.081 0.000 0.800 260 D CB 0.123 40.972 40.800 0.082 0.000 1.111 260 D HN 0.236 nan 8.370 nan 0.000 0.508 261 L N 2.530 123.794 121.223 0.069 0.000 2.426 261 L HA 0.387 4.726 4.340 -0.002 0.000 0.271 261 L C -1.933 174.942 176.870 0.009 0.000 1.169 261 L CA -1.487 53.378 54.840 0.042 0.000 0.836 261 L CB 0.088 42.150 42.059 0.004 0.000 1.112 261 L HN -0.077 nan 8.230 nan 0.000 0.465 262 P HA 0.168 nan 4.420 nan 0.000 0.272 262 P C 0.446 177.755 177.300 0.015 0.000 1.223 262 P CA -0.284 62.825 63.100 0.016 0.000 0.784 262 P CB 0.566 32.277 31.700 0.019 0.000 0.923 263 G N 0.657 109.474 108.800 0.029 0.000 2.443 263 G HA2 -0.016 3.942 3.960 -0.002 0.000 0.219 263 G HA3 -0.016 3.942 3.960 -0.002 0.000 0.219 263 G C 0.060 174.989 174.900 0.048 0.000 1.131 263 G CA 0.508 45.638 45.100 0.049 0.000 0.775 263 G HN 0.390 nan 8.290 nan 0.000 0.547 264 L N 1.654 122.897 121.223 0.032 0.000 2.415 264 L HA 0.433 4.771 4.340 -0.002 0.000 0.268 264 L C 0.289 177.174 176.870 0.025 0.000 0.984 264 L CA -0.641 54.216 54.840 0.028 0.000 0.853 264 L CB 1.865 43.936 42.059 0.021 0.000 1.215 264 L HN 0.135 nan 8.230 nan 0.000 0.419 265 S N 1.204 116.921 115.700 0.028 0.000 2.707 265 S HA 0.382 4.851 4.470 -0.002 0.000 0.276 265 S C 1.022 175.641 174.600 0.031 0.000 1.179 265 S CA -0.470 57.746 58.200 0.028 0.000 0.992 265 S CB 1.121 64.339 63.200 0.029 0.000 1.030 265 S HN 0.644 nan 8.310 nan 0.000 0.554 266 E N 0.039 120.257 120.200 0.031 0.000 2.070 266 E HA -0.273 4.076 4.350 -0.002 0.000 0.197 266 E C 2.087 178.714 176.600 0.045 0.000 1.004 266 E CA 1.724 58.145 56.400 0.035 0.000 0.805 266 E CB -0.202 29.517 29.700 0.032 0.000 0.744 266 E HN 0.703 nan 8.360 nan 0.000 0.451 267 Q N 1.050 120.879 119.800 0.048 0.000 2.030 267 Q HA -0.212 4.127 4.340 -0.002 0.000 0.204 267 Q C 1.583 177.627 176.000 0.073 0.000 0.986 267 Q CA 2.206 58.048 55.803 0.066 0.000 0.843 267 Q CB -0.266 28.511 28.738 0.064 0.000 0.904 267 Q HN 0.319 nan 8.270 nan 0.000 0.420 268 D N -0.735 119.696 120.400 0.050 0.000 2.126 268 D HA -0.202 4.436 4.640 -0.002 0.000 0.190 268 D C 1.929 178.233 176.300 0.007 0.000 1.001 268 D CA 1.896 55.909 54.000 0.022 0.000 0.841 268 D CB -0.369 40.444 40.800 0.022 0.000 0.949 268 D HN 0.185 nan 8.370 nan 0.000 0.446 269 V N 1.288 121.215 119.914 0.023 0.000 2.252 269 V HA -0.298 3.820 4.120 -0.002 0.000 0.249 269 V C 2.642 178.763 176.094 0.047 0.000 1.056 269 V CA 1.841 64.154 62.300 0.023 0.000 1.022 269 V CB -0.467 31.372 31.823 0.026 0.000 0.641 269 V HN 0.161 nan 8.190 nan 0.000 0.445 270 R N -0.405 120.148 120.500 0.088 0.000 2.083 270 R HA -0.195 4.144 4.340 -0.002 0.000 0.237 270 R C 2.104 178.521 176.300 0.194 0.000 1.137 270 R CA 1.999 58.202 56.100 0.171 0.000 0.951 270 R CB -0.488 29.938 30.300 0.209 0.000 0.851 270 R HN 0.553 nan 8.270 nan 0.000 0.434 271 D N 0.437 120.901 120.400 0.107 0.000 2.117 271 D HA -0.141 4.498 4.640 -0.002 0.000 0.197 271 D C 1.944 178.114 176.300 -0.216 0.000 0.987 271 D CA 1.021 54.944 54.000 -0.128 0.000 0.829 271 D CB -0.150 40.489 40.800 -0.268 0.000 0.961 271 D HN 0.179 nan 8.370 nan 0.000 0.460 272 L N 0.522 121.674 121.223 -0.119 0.000 2.005 272 L HA -0.127 4.212 4.340 -0.002 0.000 0.207 272 L C 2.478 179.325 176.870 -0.038 0.000 1.072 272 L CA 0.902 55.679 54.840 -0.105 0.000 0.744 272 L CB -0.271 41.742 42.059 -0.075 0.000 0.895 272 L HN -0.076 nan 8.230 nan 0.000 0.433 273 R N -0.198 120.309 120.500 0.012 0.000 2.117 273 R HA -0.229 4.110 4.340 -0.002 0.000 0.243 273 R C 2.132 178.467 176.300 0.058 0.000 1.143 273 R CA 1.617 57.737 56.100 0.034 0.000 0.968 273 R CB -1.523 28.815 30.300 0.064 0.000 0.863 273 R HN 0.306 nan 8.270 nan 0.000 0.444 274 F N 1.295 121.206 119.950 -0.065 0.000 2.069 274 F HA -0.160 4.366 4.527 -0.002 0.000 0.298 274 F C 2.367 178.172 175.800 0.010 0.000 1.113 274 F CA 2.031 59.999 58.000 -0.054 0.000 1.214 274 F CB -0.704 38.084 39.000 -0.353 0.000 0.978 274 F HN 0.139 nan 8.300 nan 0.000 0.474 275 G N -0.074 108.784 108.800 0.098 0.000 2.440 275 G HA2 -0.239 3.719 3.960 -0.002 0.000 0.218 275 G HA3 -0.239 3.719 3.960 -0.002 0.000 0.218 275 G C 1.688 176.560 174.900 -0.047 0.000 1.154 275 G CA 1.298 46.405 45.100 0.012 0.000 0.767 275 G HN 0.372 nan 8.290 nan 0.000 0.552 276 V N 0.877 120.756 119.914 -0.059 0.000 2.237 276 V HA -0.209 3.910 4.120 -0.002 0.000 0.245 276 V C 2.643 178.671 176.094 -0.110 0.000 1.046 276 V CA 2.324 64.581 62.300 -0.071 0.000 1.007 276 V CB -0.749 31.036 31.823 -0.063 0.000 0.638 276 V HN 0.477 nan 8.190 nan 0.000 0.445 277 E N -0.743 119.362 120.200 -0.158 0.000 2.171 277 E HA -0.221 4.127 4.350 -0.002 0.000 0.197 277 E C 1.823 178.159 176.600 -0.440 0.000 0.997 277 E CA 1.362 57.592 56.400 -0.284 0.000 0.810 277 E CB -0.176 29.323 29.700 -0.335 0.000 0.738 277 E HN 0.726 nan 8.360 nan 0.000 0.467 278 H N -1.144 117.731 119.070 -0.325 0.000 2.549 278 H HA 0.176 4.731 4.556 -0.002 0.000 0.279 278 H C 0.941 176.188 175.328 -0.135 0.000 1.018 278 H CA 0.530 56.417 56.048 -0.269 0.000 1.175 278 H CB 1.083 30.596 29.762 -0.415 0.000 1.485 278 H HN 0.267 nan 8.280 nan 0.000 0.543 279 G N 2.179 110.955 108.800 -0.039 0.000 2.225 279 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.264 279 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.264 279 G C 0.636 175.539 174.900 0.004 0.000 1.060 279 G CA 0.411 45.498 45.100 -0.020 0.000 0.833 279 G HN 0.376 nan 8.290 nan 0.000 0.498 280 V N -3.142 116.774 119.914 0.005 0.000 3.178 280 V HA 0.477 4.596 4.120 -0.002 0.000 0.306 280 V C 1.096 177.178 176.094 -0.021 0.000 1.107 280 V CA 1.092 63.391 62.300 -0.002 0.000 1.195 280 V CB 0.870 32.684 31.823 -0.015 0.000 0.993 280 V HN 0.160 nan 8.190 nan 0.000 0.493 281 D N 1.327 121.708 120.400 -0.032 0.000 2.388 281 D HA 0.406 5.045 4.640 -0.002 0.000 0.208 281 D C 0.061 176.330 176.300 -0.051 0.000 1.035 281 D CA 0.659 54.643 54.000 -0.026 0.000 0.875 281 D CB 0.307 41.105 40.800 -0.004 0.000 0.984 281 D HN 0.614 nan 8.370 nan 0.000 0.508 282 I N 0.299 120.803 120.570 -0.110 0.000 2.722 282 I HA 0.210 4.379 4.170 -0.002 0.000 0.292 282 I C -1.385 174.590 176.117 -0.238 0.000 1.267 282 I CA -0.950 60.257 61.300 -0.156 0.000 1.036 282 I CB 3.078 40.945 38.000 -0.221 0.000 1.281 282 I HN -0.401 nan 8.210 nan 0.000 0.423 283 V N 5.578 125.404 119.914 -0.146 0.000 2.357 283 V HA 0.396 4.515 4.120 -0.002 0.000 0.284 283 V C -0.690 175.421 176.094 0.027 0.000 1.018 283 V CA -0.462 61.768 62.300 -0.118 0.000 0.841 283 V CB 1.257 33.045 31.823 -0.058 0.000 0.991 283 V HN 0.329 nan 8.190 nan 0.000 0.437 284 F N 3.840 123.783 119.950 -0.012 0.000 2.404 284 F HA 0.576 5.102 4.527 -0.002 0.000 0.359 284 F C 0.795 176.582 175.800 -0.022 0.000 1.134 284 F CA -1.302 56.690 58.000 -0.013 0.000 1.160 284 F CB 0.780 39.778 39.000 -0.002 0.000 1.186 284 F HN 0.514 nan 8.300 nan 0.000 0.526 285 A N 3.178 126.092 122.820 0.155 0.000 2.269 285 A HA 0.549 4.868 4.320 -0.002 0.000 0.302 285 A C 0.379 177.992 177.584 0.047 0.000 1.266 285 A CA -0.400 51.684 52.037 0.077 0.000 0.894 285 A CB 0.034 19.063 19.000 0.048 0.000 1.147 285 A HN 0.603 nan 8.150 nan 0.000 0.537 286 S N 1.146 116.882 115.700 0.061 0.000 2.592 286 S HA 0.436 4.905 4.470 -0.002 0.000 0.271 286 S C 0.006 174.668 174.600 0.104 0.000 1.326 286 S CA -0.119 58.086 58.200 0.008 0.000 1.024 286 S CB -0.257 63.020 63.200 0.128 0.000 0.921 286 S HN 0.758 nan 8.310 nan 0.000 0.527 287 F N -0.465 119.492 119.950 0.012 0.000 3.048 287 F HA -0.162 4.364 4.527 -0.002 0.000 0.269 287 F C 0.245 176.049 175.800 0.005 0.000 0.960 287 F CA -0.226 57.777 58.000 0.005 0.000 0.909 287 F CB -2.050 36.950 39.000 -0.001 0.000 0.837 287 F HN 0.198 nan 8.300 nan 0.000 0.768 288 V N 1.520 121.480 119.914 0.077 0.000 2.421 288 V HA 0.061 4.180 4.120 -0.002 0.000 0.271 288 V C 1.329 177.455 176.094 0.052 0.000 1.031 288 V CA 0.358 62.690 62.300 0.053 0.000 1.032 288 V CB 1.040 32.869 31.823 0.010 0.000 1.009 288 V HN 0.427 nan 8.190 nan 0.000 0.477 289 R N 3.915 124.450 120.500 0.059 0.000 2.307 289 R HA 0.316 4.655 4.340 -0.002 0.000 0.200 289 R C 0.099 176.416 176.300 0.028 0.000 0.893 289 R CA -0.100 56.032 56.100 0.054 0.000 1.042 289 R CB 0.276 30.617 30.300 0.068 0.000 1.059 289 R HN 0.732 nan 8.270 nan 0.000 0.530 290 K N -1.484 118.925 120.400 0.014 0.000 2.625 290 K HA 0.543 4.862 4.320 -0.002 0.000 0.284 290 K C -0.050 176.543 176.600 -0.011 0.000 0.984 290 K CA -0.307 55.980 56.287 0.000 0.000 0.865 290 K CB 1.086 33.592 32.500 0.009 0.000 1.468 290 K HN -0.161 nan 8.250 nan 0.000 0.407 291 A N 1.379 124.185 122.820 -0.023 0.000 1.915 291 A HA -0.293 4.026 4.320 -0.002 0.000 0.220 291 A C 2.201 179.776 177.584 -0.015 0.000 1.198 291 A CA 3.002 55.022 52.037 -0.028 0.000 0.647 291 A CB -1.397 17.586 19.000 -0.029 0.000 0.825 291 A HN 0.979 nan 8.150 nan 0.000 0.456 292 S N -0.201 115.495 115.700 -0.006 0.000 2.419 292 S HA -0.224 4.245 4.470 -0.002 0.000 0.235 292 S C 1.396 175.998 174.600 0.002 0.000 1.019 292 S CA 1.647 59.847 58.200 -0.001 0.000 0.982 292 S CB -0.608 62.594 63.200 0.003 0.000 0.789 292 S HN 0.539 nan 8.310 nan 0.000 0.490 293 D N 1.265 121.668 120.400 0.006 0.000 2.117 293 D HA -0.081 4.558 4.640 -0.002 0.000 0.197 293 D C 2.173 178.477 176.300 0.007 0.000 0.987 293 D CA 1.435 55.443 54.000 0.013 0.000 0.829 293 D CB -0.710 40.105 40.800 0.023 0.000 0.961 293 D HN 0.436 nan 8.370 nan 0.000 0.460 294 V N 0.472 120.384 119.914 -0.003 0.000 2.453 294 V HA -0.064 4.055 4.120 -0.002 0.000 0.247 294 V C 2.109 178.198 176.094 -0.009 0.000 1.048 294 V CA 1.907 64.202 62.300 -0.008 0.000 1.049 294 V CB -0.379 31.433 31.823 -0.018 0.000 0.672 294 V HN 0.136 nan 8.190 nan 0.000 0.457 295 A N 0.651 123.466 122.820 -0.008 0.000 1.892 295 A HA -0.134 4.185 4.320 -0.002 0.000 0.218 295 A C 2.551 180.130 177.584 -0.009 0.000 1.188 295 A CA 2.779 54.812 52.037 -0.007 0.000 0.631 295 A CB -1.339 17.658 19.000 -0.004 0.000 0.822 295 A HN 1.040 nan 8.150 nan 0.000 0.447 296 A N -0.630 122.188 122.820 -0.004 0.000 1.865 296 A HA -0.062 4.256 4.320 -0.002 0.000 0.217 296 A C 2.250 179.829 177.584 -0.010 0.000 1.191 296 A CA 2.011 54.046 52.037 -0.003 0.000 0.623 296 A CB -1.184 17.819 19.000 0.005 0.000 0.826 296 A HN 0.496 nan 8.150 nan 0.000 0.444 297 V N -0.217 119.692 119.914 -0.009 0.000 2.282 297 V HA -0.330 3.789 4.120 -0.002 0.000 0.249 297 V C 2.658 178.733 176.094 -0.033 0.000 1.057 297 V CA 2.561 64.851 62.300 -0.017 0.000 1.032 297 V CB -0.831 30.986 31.823 -0.011 0.000 0.645 297 V HN 0.601 nan 8.190 nan 0.000 0.447 298 R N -0.287 120.193 120.500 -0.033 0.000 2.083 298 R HA -0.173 4.165 4.340 -0.002 0.000 0.237 298 R C 2.396 178.653 176.300 -0.072 0.000 1.137 298 R CA 1.737 57.804 56.100 -0.055 0.000 0.951 298 R CB -0.649 29.628 30.300 -0.037 0.000 0.851 298 R HN 0.535 nan 8.270 nan 0.000 0.434 299 A N 0.414 123.206 122.820 -0.047 0.000 1.883 299 A HA -0.186 4.132 4.320 -0.002 0.000 0.217 299 A C 2.320 179.876 177.584 -0.046 0.000 1.186 299 A CA 1.956 53.967 52.037 -0.044 0.000 0.624 299 A CB -0.944 18.043 19.000 -0.022 0.000 0.822 299 A HN 0.512 nan 8.150 nan 0.000 0.444 300 A N -0.980 121.818 122.820 -0.036 0.000 1.898 300 A HA -0.006 4.313 4.320 -0.002 0.000 0.216 300 A C 2.021 179.579 177.584 -0.044 0.000 1.181 300 A CA 1.622 53.641 52.037 -0.030 0.000 0.620 300 A CB -0.577 18.410 19.000 -0.021 0.000 0.819 300 A HN 0.462 nan 8.150 nan 0.000 0.442 301 L N -0.925 120.261 121.223 -0.062 0.000 2.187 301 L HA 0.062 4.401 4.340 -0.002 0.000 0.213 301 L C 1.503 178.317 176.870 -0.093 0.000 1.100 301 L CA 1.368 56.161 54.840 -0.078 0.000 0.765 301 L CB -1.222 40.782 42.059 -0.092 0.000 0.904 301 L HN 0.768 nan 8.230 nan 0.000 0.437 302 G N -1.896 106.842 108.800 -0.103 0.000 2.877 302 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.279 302 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.279 302 G C -1.753 173.052 174.900 -0.159 0.000 1.431 302 G CA -0.200 44.839 45.100 -0.102 0.000 0.883 302 G HN 0.162 nan 8.290 nan 0.000 0.547 303 P HA 0.092 nan 4.420 nan 0.000 0.222 303 P C 1.367 178.641 177.300 -0.043 0.000 1.153 303 P CA 1.351 64.396 63.100 -0.092 0.000 0.798 303 P CB 0.083 31.777 31.700 -0.010 0.000 0.796 304 E N -0.309 119.865 120.200 -0.044 0.000 2.515 304 E HA 0.025 4.374 4.350 -0.002 0.000 0.201 304 E C 1.071 177.652 176.600 -0.033 0.000 1.071 304 E CA 0.887 57.270 56.400 -0.027 0.000 0.880 304 E CB -0.483 29.195 29.700 -0.036 0.000 0.828 304 E HN 0.280 nan 8.360 nan 0.000 0.540 305 G N 0.014 108.773 108.800 -0.068 0.000 4.921 305 G HA2 0.140 4.099 3.960 -0.002 0.000 0.248 305 G HA3 0.140 4.099 3.960 -0.002 0.000 0.248 305 G C 0.073 174.924 174.900 -0.081 0.000 1.026 305 G CA -0.502 44.560 45.100 -0.064 0.000 0.825 305 G HN 0.124 nan 8.290 nan 0.000 0.538 306 H N -0.021 119.039 119.070 -0.016 0.000 2.428 306 H HA 0.007 4.561 4.556 -0.002 0.000 0.296 306 H C 2.682 178.001 175.328 -0.014 0.000 1.062 306 H CA 1.638 57.677 56.048 -0.015 0.000 1.350 306 H CB 0.585 30.339 29.762 -0.013 0.000 1.403 306 H HN 0.440 nan 8.280 nan 0.000 0.533 307 G N 0.802 109.674 108.800 0.119 0.000 2.448 307 G HA2 -0.158 3.801 3.960 -0.002 0.000 0.219 307 G HA3 -0.158 3.801 3.960 -0.002 0.000 0.219 307 G C 0.668 175.589 174.900 0.036 0.000 1.127 307 G CA 0.119 45.257 45.100 0.062 0.000 0.766 307 G HN 0.253 nan 8.290 nan 0.000 0.552 308 I N 1.800 122.381 120.570 0.019 0.000 2.587 308 I HA 0.051 4.220 4.170 -0.002 0.000 0.284 308 I C -0.053 176.065 176.117 0.003 0.000 1.134 308 I CA -0.274 61.024 61.300 -0.004 0.000 1.410 308 I CB 0.684 38.667 38.000 -0.028 0.000 1.392 308 I HN -0.056 nan 8.210 nan 0.000 0.545 309 K N 7.655 128.057 120.400 0.004 0.000 2.368 309 K HA 0.407 4.725 4.320 -0.002 0.000 0.282 309 K C -0.254 176.355 176.600 0.016 0.000 1.035 309 K CA -0.153 56.143 56.287 0.015 0.000 0.973 309 K CB 1.039 33.554 32.500 0.026 0.000 0.957 309 K HN 0.504 nan 8.250 nan 0.000 0.474 310 I N 4.815 125.401 120.570 0.025 0.000 2.339 310 I HA 0.205 4.374 4.170 -0.002 0.000 0.290 310 I C -0.144 176.011 176.117 0.064 0.000 0.994 310 I CA -0.820 60.500 61.300 0.034 0.000 1.191 310 I CB 1.029 39.037 38.000 0.013 0.000 1.343 310 I HN 0.201 nan 8.210 nan 0.000 0.458 311 I N 5.411 126.058 120.570 0.130 0.000 2.328 311 I HA 0.195 4.364 4.170 -0.002 0.000 0.287 311 I C 0.292 176.465 176.117 0.093 0.000 1.012 311 I CA -0.330 61.059 61.300 0.148 0.000 1.195 311 I CB 1.148 39.343 38.000 0.325 0.000 1.350 311 I HN 0.438 nan 8.210 nan 0.000 0.464 312 S N 6.950 122.662 115.700 0.020 0.000 2.474 312 S HA 0.280 4.749 4.470 -0.002 0.000 0.276 312 S C 0.248 174.830 174.600 -0.031 0.000 1.227 312 S CA -0.744 57.452 58.200 -0.006 0.000 1.050 312 S CB 0.504 63.682 63.200 -0.038 0.000 0.939 312 S HN 0.368 nan 8.310 nan 0.000 0.490 313 K N 2.706 123.075 120.400 -0.052 0.000 2.276 313 K HA 0.326 4.645 4.320 -0.002 0.000 0.283 313 K C -0.585 175.953 176.600 -0.104 0.000 1.044 313 K CA -0.459 55.760 56.287 -0.113 0.000 0.944 313 K CB 0.572 32.969 32.500 -0.173 0.000 1.012 313 K HN 0.425 nan 8.250 nan 0.000 0.472 314 I N 3.507 124.029 120.570 -0.081 0.000 2.306 314 I HA 0.097 4.266 4.170 -0.002 0.000 0.288 314 I C 0.654 176.711 176.117 -0.100 0.000 1.036 314 I CA 0.202 61.477 61.300 -0.041 0.000 1.221 314 I CB 0.788 38.821 38.000 0.054 0.000 1.385 314 I HN 0.774 nan 8.210 nan 0.000 0.472 315 E N 4.083 124.208 120.200 -0.125 0.000 2.601 315 E HA 0.068 4.417 4.350 -0.002 0.000 0.219 315 E C -0.316 176.279 176.600 -0.009 0.000 0.964 315 E CA -0.046 56.250 56.400 -0.173 0.000 1.050 315 E CB 0.779 30.142 29.700 -0.561 0.000 1.068 315 E HN 0.763 nan 8.360 nan 0.000 0.496 316 N N -1.633 117.093 118.700 0.044 0.000 3.039 316 N HA 0.009 4.748 4.740 -0.002 0.000 0.257 316 N C 0.373 175.935 175.510 0.086 0.000 1.497 316 N CA -0.641 52.467 53.050 0.097 0.000 0.861 316 N CB 0.413 38.998 38.487 0.163 0.000 1.479 316 N HN -0.230 nan 8.380 nan 0.000 0.547 317 H N -0.173 118.912 119.070 0.026 0.000 2.290 317 H HA -0.146 4.409 4.556 -0.002 0.000 0.298 317 H C 1.143 176.485 175.328 0.024 0.000 1.087 317 H CA 2.632 58.689 56.048 0.014 0.000 1.291 317 H CB 0.194 29.962 29.762 0.010 0.000 1.369 317 H HN 0.829 nan 8.280 nan 0.000 0.492 318 E N -0.272 120.005 120.200 0.128 0.000 2.058 318 E HA -0.138 4.211 4.350 -0.002 0.000 0.194 318 E C 2.498 179.107 176.600 0.015 0.000 0.997 318 E CA 1.316 57.758 56.400 0.070 0.000 0.801 318 E CB -0.513 29.243 29.700 0.093 0.000 0.746 318 E HN 0.566 nan 8.360 nan 0.000 0.450 319 G N 0.419 109.240 108.800 0.036 0.000 2.469 319 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.219 319 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.219 319 G C 1.675 176.600 174.900 0.043 0.000 1.150 319 G CA 1.137 46.262 45.100 0.040 0.000 0.763 319 G HN 0.272 nan 8.290 nan 0.000 0.561 320 V N 0.654 120.550 119.914 -0.030 0.000 2.295 320 V HA -0.129 3.990 4.120 -0.002 0.000 0.246 320 V C 2.857 178.905 176.094 -0.076 0.000 1.049 320 V CA 1.928 64.183 62.300 -0.075 0.000 1.024 320 V CB -0.282 31.431 31.823 -0.183 0.000 0.648 320 V HN 0.223 nan 8.190 nan 0.000 0.447 321 K N 0.277 120.583 120.400 -0.158 0.000 2.148 321 K HA -0.045 4.274 4.320 -0.002 0.000 0.204 321 K C 1.839 178.437 176.600 -0.004 0.000 1.050 321 K CA 1.121 57.342 56.287 -0.110 0.000 0.942 321 K CB -0.198 32.219 32.500 -0.138 0.000 0.724 321 K HN 0.456 nan 8.250 nan 0.000 0.446 322 R N -0.477 120.038 120.500 0.025 0.000 2.466 322 R HA 0.108 4.447 4.340 -0.002 0.000 0.279 322 R C 1.425 177.756 176.300 0.051 0.000 0.976 322 R CA -0.333 55.787 56.100 0.033 0.000 1.081 322 R CB -0.187 30.122 30.300 0.014 0.000 1.215 322 R HN 0.042 nan 8.270 nan 0.000 0.546 323 F N 2.448 122.365 119.950 -0.056 0.000 2.087 323 F HA -0.331 4.194 4.527 -0.002 0.000 0.299 323 F C 1.561 177.338 175.800 -0.040 0.000 1.100 323 F CA 1.944 59.913 58.000 -0.052 0.000 1.226 323 F CB 0.116 39.077 39.000 -0.066 0.000 0.983 323 F HN 0.022 nan 8.300 nan 0.000 0.479 324 D N 0.225 120.685 120.400 0.100 0.000 2.123 324 D HA -0.249 4.389 4.640 -0.002 0.000 0.196 324 D C 2.197 178.424 176.300 -0.123 0.000 0.992 324 D CA 1.828 55.827 54.000 -0.002 0.000 0.833 324 D CB -0.573 40.267 40.800 0.067 0.000 0.954 324 D HN 0.720 nan 8.370 nan 0.000 0.455 325 E N 0.598 120.745 120.200 -0.088 0.000 2.106 325 E HA -0.130 4.218 4.350 -0.002 0.000 0.192 325 E C 2.260 178.779 176.600 -0.136 0.000 0.984 325 E CA 0.666 57.015 56.400 -0.085 0.000 0.806 325 E CB -0.439 29.234 29.700 -0.045 0.000 0.750 325 E HN 0.247 nan 8.360 nan 0.000 0.458 326 I N 1.274 121.728 120.570 -0.193 0.000 2.286 326 I HA -0.231 3.938 4.170 -0.002 0.000 0.248 326 I C 2.663 178.598 176.117 -0.303 0.000 1.115 326 I CA 0.835 62.001 61.300 -0.223 0.000 1.392 326 I CB -0.230 37.637 38.000 -0.221 0.000 1.065 326 I HN 0.228 nan 8.210 nan 0.000 0.418 327 L N 0.564 121.495 121.223 -0.488 0.000 2.056 327 L HA -0.222 4.117 4.340 -0.002 0.000 0.207 327 L C 2.532 179.271 176.870 -0.220 0.000 1.078 327 L CA 1.684 56.255 54.840 -0.448 0.000 0.749 327 L CB -0.337 41.370 42.059 -0.588 0.000 0.901 327 L HN 0.317 nan 8.230 nan 0.000 0.433 328 E N -0.919 119.177 120.200 -0.172 0.000 2.209 328 E HA -0.218 4.130 4.350 -0.002 0.000 0.196 328 E C 1.867 178.421 176.600 -0.077 0.000 0.993 328 E CA 1.110 57.452 56.400 -0.098 0.000 0.819 328 E CB 0.243 29.898 29.700 -0.075 0.000 0.745 328 E HN 0.323 nan 8.360 nan 0.000 0.477 329 V N -0.083 119.779 119.914 -0.087 0.000 3.643 329 V HA 0.067 4.186 4.120 -0.002 0.000 0.280 329 V C 0.105 176.167 176.094 -0.053 0.000 1.351 329 V CA 0.167 62.431 62.300 -0.059 0.000 1.073 329 V CB 1.078 32.868 31.823 -0.054 0.000 0.863 329 V HN 0.031 nan 8.190 nan 0.000 0.436 330 S N -0.177 115.479 115.700 -0.073 0.000 2.681 330 S HA 0.350 4.818 4.470 -0.002 0.000 0.299 330 S C 0.465 175.041 174.600 -0.039 0.000 1.113 330 S CA -0.626 57.541 58.200 -0.054 0.000 1.013 330 S CB 1.538 64.692 63.200 -0.076 0.000 1.076 330 S HN 0.284 nan 8.310 nan 0.000 0.534 331 D N 0.496 120.888 120.400 -0.014 0.000 2.323 331 D HA 0.242 4.880 4.640 -0.002 0.000 0.209 331 D C 0.839 177.139 176.300 -0.000 0.000 0.973 331 D CA 0.619 54.618 54.000 -0.003 0.000 0.874 331 D CB 0.334 41.143 40.800 0.014 0.000 0.930 331 D HN 0.642 nan 8.370 nan 0.000 0.521 332 G N -0.288 108.512 108.800 -0.001 0.000 2.488 332 G HA2 0.457 4.416 3.960 -0.002 0.000 0.301 332 G HA3 0.457 4.416 3.960 -0.002 0.000 0.301 332 G C -1.804 173.094 174.900 -0.003 0.000 1.339 332 G CA -0.571 44.533 45.100 0.007 0.000 0.803 332 G HN -0.083 nan 8.290 nan 0.000 0.482 333 I N 0.542 121.118 120.570 0.010 0.000 2.730 333 I HA 0.512 4.680 4.170 -0.002 0.000 0.298 333 I C -0.494 175.603 176.117 -0.033 0.000 1.089 333 I CA -0.695 60.614 61.300 0.014 0.000 1.041 333 I CB 2.040 40.112 38.000 0.119 0.000 1.235 333 I HN 0.571 nan 8.210 nan 0.000 0.423 334 M N 5.627 125.178 119.600 -0.081 0.000 2.167 334 M HA 0.392 4.871 4.480 -0.002 0.000 0.333 334 M C -1.219 175.016 176.300 -0.108 0.000 1.030 334 M CA -0.732 54.470 55.300 -0.163 0.000 0.963 334 M CB 1.455 33.865 32.600 -0.317 0.000 1.589 334 M HN 0.261 nan 8.290 nan 0.000 0.431 335 V N 5.409 125.266 119.914 -0.095 0.000 2.341 335 V HA 0.157 4.276 4.120 -0.002 0.000 0.248 335 V C 0.716 176.747 176.094 -0.104 0.000 1.107 335 V CA -0.207 62.044 62.300 -0.081 0.000 1.069 335 V CB -0.071 31.709 31.823 -0.070 0.000 1.177 335 V HN 0.877 nan 8.190 nan 0.000 0.492 336 A N 5.473 128.221 122.820 -0.121 0.000 2.990 336 A HA 0.295 4.613 4.320 -0.002 0.000 0.282 336 A C 1.570 179.087 177.584 -0.111 0.000 1.688 336 A CA -0.308 51.643 52.037 -0.144 0.000 1.391 336 A CB -0.406 18.470 19.000 -0.206 0.000 1.112 336 A HN 0.848 nan 8.150 nan 0.000 0.588 337 R N 1.202 121.652 120.500 -0.082 0.000 2.091 337 R HA -0.152 4.187 4.340 -0.002 0.000 0.238 337 R C 2.414 178.681 176.300 -0.054 0.000 1.136 337 R CA 1.798 57.863 56.100 -0.058 0.000 0.959 337 R CB -0.374 29.903 30.300 -0.039 0.000 0.856 337 R HN 0.711 nan 8.270 nan 0.000 0.437 338 G N 1.351 110.121 108.800 -0.051 0.000 2.721 338 G HA2 -0.357 3.602 3.960 -0.002 0.000 0.218 338 G HA3 -0.357 3.602 3.960 -0.002 0.000 0.218 338 G C 0.985 175.862 174.900 -0.039 0.000 1.265 338 G CA 1.557 46.636 45.100 -0.036 0.000 0.796 338 G HN 0.281 nan 8.290 nan 0.000 0.620 339 D N 0.039 120.413 120.400 -0.044 0.000 2.097 339 D HA -0.086 4.553 4.640 -0.002 0.000 0.195 339 D C 2.533 178.822 176.300 -0.019 0.000 0.989 339 D CA 0.900 54.897 54.000 -0.005 0.000 0.827 339 D CB -0.286 40.509 40.800 -0.009 0.000 0.966 339 D HN 0.142 nan 8.370 nan 0.000 0.456 340 L N 1.258 122.452 121.223 -0.049 0.000 2.089 340 L HA -0.118 4.221 4.340 -0.002 0.000 0.213 340 L C 2.210 179.056 176.870 -0.040 0.000 1.079 340 L CA 1.871 56.688 54.840 -0.037 0.000 0.758 340 L CB -0.914 41.112 42.059 -0.055 0.000 0.891 340 L HN 0.032 nan 8.230 nan 0.000 0.433 341 G N -1.687 107.081 108.800 -0.054 0.000 2.848 341 G HA2 -0.038 3.920 3.960 -0.002 0.000 0.208 341 G HA3 -0.038 3.920 3.960 -0.002 0.000 0.208 341 G C 1.372 176.192 174.900 -0.133 0.000 1.152 341 G CA 0.678 45.737 45.100 -0.069 0.000 0.789 341 G HN 0.506 nan 8.290 nan 0.000 0.531 342 I N -0.998 119.485 120.570 -0.145 0.000 3.883 342 I HA 0.138 4.307 4.170 -0.002 0.000 0.305 342 I C 2.058 178.078 176.117 -0.162 0.000 1.247 342 I CA 0.060 61.194 61.300 -0.276 0.000 1.350 342 I CB 0.221 38.082 38.000 -0.232 0.000 1.194 342 I HN -0.047 nan 8.210 nan 0.000 0.441 343 E N 1.993 122.164 120.200 -0.048 0.000 2.076 343 E HA 0.048 4.397 4.350 -0.002 0.000 0.190 343 E C 0.916 177.530 176.600 0.024 0.000 0.979 343 E CA 0.886 57.296 56.400 0.016 0.000 0.807 343 E CB 0.251 29.989 29.700 0.063 0.000 0.761 343 E HN 0.528 nan 8.360 nan 0.000 0.454 344 I N -1.705 118.875 120.570 0.016 0.000 2.863 344 I HA 0.464 4.632 4.170 -0.002 0.000 0.311 344 I C -2.627 173.490 176.117 0.001 0.000 1.026 344 I CA -2.997 58.322 61.300 0.032 0.000 1.077 344 I CB 1.697 39.735 38.000 0.064 0.000 1.262 344 I HN -0.346 nan 8.210 nan 0.000 0.461 345 P HA 0.035 nan 4.420 nan 0.000 0.264 345 P C 0.434 177.741 177.300 0.011 0.000 1.183 345 P CA 0.196 63.308 63.100 0.020 0.000 0.763 345 P CB 0.950 32.672 31.700 0.037 0.000 0.807 346 A N 3.994 126.815 122.820 0.002 0.000 1.958 346 A HA -0.273 4.046 4.320 -0.002 0.000 0.221 346 A C 1.717 179.340 177.584 0.065 0.000 1.178 346 A CA 1.895 53.940 52.037 0.014 0.000 0.642 346 A CB -1.085 17.917 19.000 0.004 0.000 0.816 346 A HN 0.583 nan 8.150 nan 0.000 0.453 347 E N -0.142 120.107 120.200 0.082 0.000 2.331 347 E HA -0.133 4.216 4.350 -0.002 0.000 0.199 347 E C 1.699 178.432 176.600 0.221 0.000 1.008 347 E CA 1.430 57.917 56.400 0.145 0.000 0.843 347 E CB -0.108 29.664 29.700 0.119 0.000 0.761 347 E HN 0.694 nan 8.360 nan 0.000 0.507 348 K N -0.424 120.031 120.400 0.090 0.000 2.367 348 K HA 0.134 4.453 4.320 -0.002 0.000 0.195 348 K C 1.730 178.247 176.600 -0.139 0.000 1.060 348 K CA 0.128 56.388 56.287 -0.044 0.000 1.022 348 K CB 0.621 33.096 32.500 -0.043 0.000 0.894 348 K HN -0.056 nan 8.250 nan 0.000 0.540 349 V N 2.424 122.322 119.914 -0.027 0.000 2.250 349 V HA -0.339 3.780 4.120 -0.002 0.000 0.250 349 V C 2.196 178.243 176.094 -0.077 0.000 1.060 349 V CA 2.385 64.659 62.300 -0.043 0.000 1.030 349 V CB -0.864 30.962 31.823 0.006 0.000 0.643 349 V HN 0.371 nan 8.190 nan 0.000 0.445 350 F N 0.776 120.702 119.950 -0.040 0.000 2.147 350 F HA -0.226 4.299 4.527 -0.003 0.000 0.301 350 F C 1.941 177.710 175.800 -0.053 0.000 1.084 350 F CA 1.830 59.804 58.000 -0.042 0.000 1.268 350 F CB -1.198 37.784 39.000 -0.030 0.000 1.009 350 F HN 0.118 nan 8.300 nan 0.000 0.486 351 L N 0.657 121.183 121.223 -1.162 0.000 2.056 351 L HA -0.087 4.252 4.340 -0.002 0.000 0.207 351 L C 3.016 179.647 176.870 -0.399 0.000 1.078 351 L CA 1.184 55.539 54.840 -0.808 0.000 0.749 351 L CB -1.254 40.344 42.059 -0.769 0.000 0.901 351 L HN 0.350 nan 8.230 nan 0.000 0.433 352 A N -0.352 122.279 122.820 -0.314 0.000 1.898 352 A HA -0.262 4.057 4.320 -0.002 0.000 0.216 352 A C 2.295 179.743 177.584 -0.225 0.000 1.181 352 A CA 1.719 53.607 52.037 -0.248 0.000 0.620 352 A CB -0.603 18.284 19.000 -0.189 0.000 0.819 352 A HN 0.500 nan 8.150 nan 0.000 0.442 353 Q N 0.004 119.706 119.800 -0.163 0.000 2.030 353 Q HA -0.264 4.075 4.340 -0.002 0.000 0.204 353 Q C 1.908 177.837 176.000 -0.118 0.000 0.986 353 Q CA 2.275 58.011 55.803 -0.111 0.000 0.843 353 Q CB -0.198 28.514 28.738 -0.043 0.000 0.904 353 Q HN 0.643 nan 8.270 nan 0.000 0.420 354 K N -0.148 120.187 120.400 -0.107 0.000 2.148 354 K HA -0.101 4.218 4.320 -0.002 0.000 0.204 354 K C 2.152 178.672 176.600 -0.135 0.000 1.050 354 K CA 1.265 57.502 56.287 -0.084 0.000 0.942 354 K CB -0.174 32.308 32.500 -0.030 0.000 0.724 354 K HN 0.334 nan 8.250 nan 0.000 0.446 355 M N 0.741 120.221 119.600 -0.200 0.000 2.099 355 M HA -0.122 4.356 4.480 -0.002 0.000 0.262 355 M C 1.897 177.992 176.300 -0.341 0.000 1.067 355 M CA 1.782 56.934 55.300 -0.247 0.000 1.124 355 M CB -0.229 32.202 32.600 -0.282 0.000 1.353 355 M HN 0.174 nan 8.290 nan 0.000 0.410 356 M N 0.032 119.363 119.600 -0.448 0.000 2.086 356 M HA -0.227 4.252 4.480 -0.002 0.000 0.261 356 M C 2.173 178.358 176.300 -0.191 0.000 1.067 356 M CA 1.612 56.576 55.300 -0.561 0.000 1.116 356 M CB -0.674 31.629 32.600 -0.494 0.000 1.348 356 M HN 0.264 nan 8.290 nan 0.000 0.407 357 I N 0.103 120.601 120.570 -0.121 0.000 2.208 357 I HA -0.211 3.958 4.170 -0.002 0.000 0.245 357 I C 2.626 178.720 176.117 -0.037 0.000 1.097 357 I CA 1.474 62.745 61.300 -0.048 0.000 1.363 357 I CB -1.135 36.842 38.000 -0.040 0.000 1.051 357 I HN 0.388 nan 8.210 nan 0.000 0.413 358 G N 0.703 109.463 108.800 -0.067 0.000 2.480 358 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.216 358 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.216 358 G C 1.784 176.670 174.900 -0.024 0.000 1.200 358 G CA 0.672 45.743 45.100 -0.050 0.000 0.782 358 G HN 0.237 nan 8.290 nan 0.000 0.554 359 R N -0.646 119.835 120.500 -0.031 0.000 2.083 359 R HA -0.086 4.253 4.340 -0.002 0.000 0.237 359 R C 2.795 179.162 176.300 0.113 0.000 1.137 359 R CA 1.641 57.775 56.100 0.056 0.000 0.951 359 R CB -0.870 29.495 30.300 0.108 0.000 0.851 359 R HN 0.430 nan 8.270 nan 0.000 0.434 360 C N 0.244 119.627 119.300 0.139 0.000 2.388 360 C HA -0.138 4.321 4.460 -0.002 0.000 0.277 360 C C 2.162 177.173 174.990 0.035 0.000 1.210 360 C CA 1.127 60.205 59.018 0.101 0.000 1.743 360 C CB -1.344 26.457 27.740 0.101 0.000 2.047 360 C HN 0.623 nan 8.230 nan 0.000 0.458 361 N N 0.481 119.192 118.700 0.018 0.000 2.069 361 N HA -0.246 4.493 4.740 -0.002 0.000 0.196 361 N C 1.560 177.064 175.510 -0.011 0.000 1.024 361 N CA 1.488 54.538 53.050 -0.001 0.000 0.869 361 N CB -0.320 38.168 38.487 0.003 0.000 1.035 361 N HN 0.408 nan 8.380 nan 0.000 0.434 362 L N 0.959 122.184 121.223 0.003 0.000 2.017 362 L HA -0.115 4.223 4.340 -0.002 0.000 0.208 362 L C 2.251 179.115 176.870 -0.009 0.000 1.073 362 L CA 1.435 56.276 54.840 0.001 0.000 0.745 362 L CB -0.347 41.721 42.059 0.015 0.000 0.894 362 L HN 0.111 nan 8.230 nan 0.000 0.432 363 A N -1.171 121.652 122.820 0.004 0.000 2.119 363 A HA 0.195 4.514 4.320 -0.002 0.000 0.217 363 A C 1.697 179.260 177.584 -0.036 0.000 1.153 363 A CA 0.871 52.904 52.037 -0.007 0.000 0.692 363 A CB -0.868 18.136 19.000 0.005 0.000 0.799 363 A HN 0.748 nan 8.150 nan 0.000 0.458 364 G N -0.913 107.856 108.800 -0.050 0.000 2.149 364 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.235 364 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.235 364 G C 0.009 174.880 174.900 -0.048 0.000 1.018 364 G CA 0.506 45.559 45.100 -0.079 0.000 0.728 364 G HN 0.581 nan 8.290 nan 0.000 0.508 365 K N 0.197 120.583 120.400 -0.024 0.000 2.208 365 K HA 0.502 4.821 4.320 -0.002 0.000 0.247 365 K C -2.670 173.930 176.600 -0.001 0.000 0.953 365 K CA -2.170 54.109 56.287 -0.013 0.000 0.837 365 K CB 1.950 34.442 32.500 -0.013 0.000 1.131 365 K HN -0.067 nan 8.250 nan 0.000 0.431 366 P HA -0.016 nan 4.420 nan 0.000 0.265 366 P C -0.991 176.320 177.300 0.018 0.000 1.193 366 P CA -0.203 62.904 63.100 0.012 0.000 0.765 366 P CB 0.614 32.331 31.700 0.028 0.000 0.823 367 V N 4.886 124.808 119.914 0.013 0.000 2.588 367 V HA 0.412 4.531 4.120 -0.002 0.000 0.304 367 V C -0.849 175.235 176.094 -0.017 0.000 1.042 367 V CA -0.807 61.498 62.300 0.008 0.000 0.877 367 V CB 2.284 34.120 31.823 0.021 0.000 0.996 367 V HN 0.143 nan 8.190 nan 0.000 0.425 368 V N 5.966 125.849 119.914 -0.052 0.000 2.435 368 V HA 0.443 4.561 4.120 -0.002 0.000 0.290 368 V C 0.141 176.180 176.094 -0.092 0.000 1.030 368 V CA -0.573 61.674 62.300 -0.089 0.000 0.881 368 V CB 1.457 33.164 31.823 -0.194 0.000 0.983 368 V HN 1.019 nan 8.190 nan 0.000 0.445 369 C N 5.112 124.371 119.300 -0.069 0.000 2.330 369 C HA 0.898 5.357 4.460 -0.002 0.000 0.344 369 C C 0.416 175.365 174.990 -0.068 0.000 1.273 369 C CA -0.000 58.982 59.018 -0.060 0.000 1.879 369 C CB -0.274 27.447 27.740 -0.031 0.000 2.376 369 C HN 1.119 nan 8.230 nan 0.000 0.534 370 A N 4.189 126.966 122.820 -0.072 0.000 2.539 370 A HA 0.895 5.214 4.320 -0.002 0.000 0.296 370 A C -0.272 177.285 177.584 -0.045 0.000 1.073 370 A CA -0.136 51.858 52.037 -0.071 0.000 0.700 370 A CB 1.104 20.032 19.000 -0.121 0.000 1.296 370 A HN 1.439 nan 8.150 nan 0.000 0.405 371 T N 1.435 115.974 114.554 -0.026 0.000 0.575 371 T HA -0.077 4.272 4.350 -0.002 0.000 0.770 371 T C 0.061 174.759 174.700 -0.003 0.000 0.992 371 T CA 0.680 62.773 62.100 -0.012 0.000 4.059 371 T CB -1.292 67.562 68.868 -0.023 0.000 2.293 371 T HN 1.593 nan 8.240 nan 0.000 0.396 372 Q N 0.075 119.881 119.800 0.009 0.000 2.489 372 Q HA -0.243 4.095 4.340 -0.002 0.000 0.259 372 Q C 1.459 177.466 176.000 0.011 0.000 0.934 372 Q CA 1.429 57.239 55.803 0.013 0.000 1.131 372 Q CB -1.139 27.604 28.738 0.009 0.000 1.472 372 Q HN 0.855 nan 8.270 nan 0.000 0.560 373 M N -0.751 118.856 119.600 0.011 0.000 2.374 373 M HA -0.104 4.375 4.480 -0.002 0.000 0.264 373 M C 0.502 176.810 176.300 0.014 0.000 1.067 373 M CA 1.103 56.409 55.300 0.010 0.000 1.103 373 M CB 0.225 32.831 32.600 0.009 0.000 1.402 373 M HN 0.113 nan 8.290 nan 0.000 0.444 374 L N -0.629 120.606 121.223 0.020 0.000 3.313 374 L HA 0.191 4.530 4.340 -0.002 0.000 0.339 374 L C 1.134 178.022 176.870 0.029 0.000 1.309 374 L CA 0.118 54.971 54.840 0.022 0.000 0.867 374 L CB 0.025 42.100 42.059 0.027 0.000 1.316 374 L HN 0.002 nan 8.230 nan 0.000 0.604 375 E N 0.233 120.449 120.200 0.027 0.000 2.070 375 E HA -0.240 4.108 4.350 -0.002 0.000 0.197 375 E C 2.001 178.625 176.600 0.040 0.000 1.004 375 E CA 1.795 58.215 56.400 0.034 0.000 0.805 375 E CB 0.169 29.885 29.700 0.027 0.000 0.744 375 E HN 0.612 nan 8.360 nan 0.000 0.451 376 S N 0.744 116.461 115.700 0.029 0.000 2.407 376 S HA -0.199 4.269 4.470 -0.002 0.000 0.235 376 S C 2.046 176.672 174.600 0.043 0.000 1.036 376 S CA 1.440 59.657 58.200 0.028 0.000 1.013 376 S CB -0.453 62.753 63.200 0.009 0.000 0.820 376 S HN 0.221 nan 8.310 nan 0.000 0.476 377 M N 0.599 120.225 119.600 0.044 0.000 2.374 377 M HA 0.070 4.549 4.480 -0.002 0.000 0.264 377 M C 1.969 178.381 176.300 0.187 0.000 1.067 377 M CA 0.990 56.337 55.300 0.077 0.000 1.103 377 M CB -0.775 31.857 32.600 0.054 0.000 1.402 377 M HN 0.317 nan 8.290 nan 0.000 0.444 378 I N -0.160 120.490 120.570 0.132 0.000 2.381 378 I HA -0.327 3.842 4.170 -0.002 0.000 0.255 378 I C 1.898 178.117 176.117 0.170 0.000 1.140 378 I CA 1.335 62.711 61.300 0.127 0.000 1.404 378 I CB -0.277 37.768 38.000 0.075 0.000 1.075 378 I HN 0.296 nan 8.210 nan 0.000 0.433 379 T N -1.148 113.523 114.554 0.196 0.000 2.969 379 T HA 0.213 4.562 4.350 -0.002 0.000 0.258 379 T C 0.213 175.083 174.700 0.283 0.000 0.962 379 T CA -0.096 62.125 62.100 0.201 0.000 0.903 379 T CB 0.556 69.488 68.868 0.107 0.000 1.177 379 T HN 0.078 nan 8.240 nan 0.000 0.511 380 K N 1.325 121.837 120.400 0.186 0.000 2.426 380 K HA 0.401 4.719 4.320 -0.002 0.000 0.251 380 K C -2.460 173.844 176.600 -0.493 0.000 0.941 380 K CA -2.112 54.147 56.287 -0.047 0.000 0.808 380 K CB 2.393 34.866 32.500 -0.045 0.000 1.265 380 K HN -0.286 nan 8.250 nan 0.000 0.432 381 P HA 0.012 nan 4.420 nan 0.000 0.241 381 P C -0.479 176.536 177.300 -0.475 0.000 1.191 381 P CA 0.534 62.961 63.100 -1.121 0.000 0.771 381 P CB 0.472 31.683 31.700 -0.816 0.000 0.929 382 R N 0.066 120.397 120.500 -0.282 0.000 2.807 382 R HA 0.522 4.861 4.340 -0.002 0.000 0.276 382 R C -2.752 173.489 176.300 -0.098 0.000 0.979 382 R CA -2.551 53.458 56.100 -0.152 0.000 0.928 382 R CB 0.426 30.661 30.300 -0.109 0.000 1.191 382 R HN -0.049 nan 8.270 nan 0.000 0.471 383 P HA 0.146 nan 4.420 nan 0.000 0.278 383 P C -0.144 177.139 177.300 -0.029 0.000 1.258 383 P CA -0.330 62.749 63.100 -0.035 0.000 0.811 383 P CB 0.462 32.149 31.700 -0.021 0.000 1.063 384 T N -1.364 113.179 114.554 -0.018 0.000 2.849 384 T HA 0.227 4.576 4.350 -0.002 0.000 0.284 384 T C 1.401 176.092 174.700 -0.015 0.000 1.004 384 T CA -0.682 61.409 62.100 -0.016 0.000 1.021 384 T CB 0.486 69.348 68.868 -0.010 0.000 1.013 384 T HN 0.186 nan 8.240 nan 0.000 0.527 385 R N 0.940 121.431 120.500 -0.015 0.000 2.148 385 R HA 0.016 4.355 4.340 -0.002 0.000 0.227 385 R C 2.471 178.762 176.300 -0.015 0.000 1.103 385 R CA 1.241 57.331 56.100 -0.016 0.000 0.983 385 R CB -1.508 28.781 30.300 -0.017 0.000 0.874 385 R HN 0.838 nan 8.270 nan 0.000 0.451 386 A N 1.404 124.215 122.820 -0.014 0.000 1.968 386 A HA -0.118 4.201 4.320 -0.002 0.000 0.217 386 A C 1.975 179.553 177.584 -0.009 0.000 1.169 386 A CA 0.921 52.950 52.037 -0.014 0.000 0.638 386 A CB -0.133 18.859 19.000 -0.013 0.000 0.812 386 A HN 0.327 nan 8.150 nan 0.000 0.446 387 E N -0.800 119.396 120.200 -0.007 0.000 2.047 387 E HA -0.120 4.229 4.350 -0.002 0.000 0.191 387 E C 2.035 178.634 176.600 -0.002 0.000 0.987 387 E CA 1.459 57.857 56.400 -0.002 0.000 0.799 387 E CB -0.447 29.253 29.700 0.000 0.000 0.752 387 E HN 0.484 nan 8.360 nan 0.000 0.449 388 T N 0.850 115.401 114.554 -0.005 0.000 2.597 388 T HA -0.255 4.094 4.350 -0.002 0.000 0.267 388 T C 2.186 176.884 174.700 -0.004 0.000 1.053 388 T CA 2.077 64.174 62.100 -0.005 0.000 1.165 388 T CB -0.434 68.428 68.868 -0.009 0.000 0.863 388 T HN 0.296 nan 8.240 nan 0.000 0.427 389 S N 0.864 116.560 115.700 -0.007 0.000 2.402 389 S HA -0.163 4.306 4.470 -0.002 0.000 0.229 389 S C 1.829 176.428 174.600 -0.001 0.000 1.021 389 S CA 1.850 60.047 58.200 -0.006 0.000 0.974 389 S CB -0.535 62.658 63.200 -0.012 0.000 0.800 389 S HN 0.475 nan 8.310 nan 0.000 0.484 390 D N 1.190 121.589 120.400 -0.002 0.000 2.116 390 D HA -0.108 4.531 4.640 -0.002 0.000 0.193 390 D C 1.872 178.177 176.300 0.007 0.000 0.998 390 D CA 1.604 55.606 54.000 0.003 0.000 0.836 390 D CB -0.456 40.346 40.800 0.003 0.000 0.951 390 D HN 0.323 nan 8.370 nan 0.000 0.449 391 V N 0.849 120.767 119.914 0.006 0.000 2.261 391 V HA -0.237 3.882 4.120 -0.002 0.000 0.246 391 V C 2.622 178.722 176.094 0.010 0.000 1.047 391 V CA 1.937 64.242 62.300 0.008 0.000 1.015 391 V CB -1.133 30.695 31.823 0.009 0.000 0.642 391 V HN 0.331 nan 8.190 nan 0.000 0.446 392 A N 0.556 123.382 122.820 0.009 0.000 1.892 392 A HA -0.285 4.033 4.320 -0.002 0.000 0.218 392 A C 2.048 179.646 177.584 0.024 0.000 1.188 392 A CA 2.316 54.362 52.037 0.015 0.000 0.631 392 A CB -0.802 18.205 19.000 0.012 0.000 0.822 392 A HN 0.613 nan 8.150 nan 0.000 0.447 393 N N 0.090 118.803 118.700 0.022 0.000 2.381 393 N HA -0.057 4.682 4.740 -0.002 0.000 0.182 393 N C 1.805 177.332 175.510 0.028 0.000 1.025 393 N CA 1.216 54.284 53.050 0.030 0.000 0.888 393 N CB -0.413 38.090 38.487 0.027 0.000 0.965 393 N HN 0.522 nan 8.380 nan 0.000 0.438 394 A N 0.695 123.527 122.820 0.020 0.000 1.898 394 A HA -0.057 4.262 4.320 -0.002 0.000 0.216 394 A C 2.512 180.105 177.584 0.015 0.000 1.181 394 A CA 1.075 53.120 52.037 0.014 0.000 0.620 394 A CB -0.682 18.322 19.000 0.007 0.000 0.819 394 A HN 0.082 nan 8.150 nan 0.000 0.442 395 V N -0.189 119.737 119.914 0.020 0.000 2.295 395 V HA -0.193 3.925 4.120 -0.002 0.000 0.246 395 V C 2.465 178.579 176.094 0.032 0.000 1.049 395 V CA 1.696 64.011 62.300 0.024 0.000 1.024 395 V CB -0.657 31.181 31.823 0.026 0.000 0.648 395 V HN 0.466 nan 8.190 nan 0.000 0.447 396 L N -0.107 121.141 121.223 0.041 0.000 2.141 396 L HA -0.120 4.218 4.340 -0.002 0.000 0.209 396 L C 2.154 179.047 176.870 0.039 0.000 1.094 396 L CA 1.666 56.540 54.840 0.056 0.000 0.763 396 L CB -1.357 40.753 42.059 0.085 0.000 0.908 396 L HN 0.361 nan 8.230 nan 0.000 0.437 397 D N -0.043 120.374 120.400 0.028 0.000 2.117 397 D HA -0.061 4.577 4.640 -0.002 0.000 0.197 397 D C 1.555 177.857 176.300 0.004 0.000 0.987 397 D CA 1.604 55.611 54.000 0.013 0.000 0.829 397 D CB 0.063 40.870 40.800 0.010 0.000 0.961 397 D HN 0.398 nan 8.370 nan 0.000 0.460 398 G N -0.538 108.268 108.800 0.010 0.000 2.192 398 G HA2 0.090 4.048 3.960 -0.002 0.000 0.152 398 G HA3 0.090 4.048 3.960 -0.002 0.000 0.152 398 G C 0.054 174.959 174.900 0.008 0.000 1.057 398 G CA 0.050 45.158 45.100 0.012 0.000 0.748 398 G HN 0.507 nan 8.290 nan 0.000 0.488 399 A N -0.047 122.777 122.820 0.006 0.000 2.388 399 A HA 0.614 4.933 4.320 -0.002 0.000 0.257 399 A C 1.119 178.704 177.584 0.002 0.000 1.095 399 A CA 0.491 52.527 52.037 -0.000 0.000 0.791 399 A CB 0.449 19.446 19.000 -0.005 0.000 1.029 399 A HN 0.202 nan 8.150 nan 0.000 0.489 400 D N 0.342 120.741 120.400 -0.001 0.000 2.137 400 D HA 0.003 4.642 4.640 -0.002 0.000 0.202 400 D C 0.125 176.426 176.300 0.001 0.000 0.970 400 D CA 1.340 55.339 54.000 -0.002 0.000 0.837 400 D CB 0.150 40.950 40.800 -0.000 0.000 0.981 400 D HN 0.563 nan 8.370 nan 0.000 0.475 401 C N 0.741 120.041 119.300 0.001 0.000 2.802 401 C HA 0.648 5.107 4.460 -0.002 0.000 0.307 401 C C -0.101 174.886 174.990 -0.006 0.000 1.222 401 C CA -1.094 57.928 59.018 0.006 0.000 1.580 401 C CB 1.912 29.666 27.740 0.024 0.000 2.119 401 C HN 0.169 nan 8.230 nan 0.000 0.479 402 I N 0.044 120.615 120.570 0.003 0.000 2.569 402 I HA 0.748 4.917 4.170 -0.002 0.000 0.296 402 I C -0.741 175.380 176.117 0.006 0.000 1.028 402 I CA -0.711 60.588 61.300 -0.001 0.000 1.082 402 I CB 1.599 39.603 38.000 0.008 0.000 1.264 402 I HN 0.698 nan 8.210 nan 0.000 0.429 403 M N 5.261 124.858 119.600 -0.004 0.000 2.762 403 M HA 0.688 5.167 4.480 -0.002 0.000 0.306 403 M C -1.672 174.643 176.300 0.025 0.000 1.223 403 M CA -0.728 54.578 55.300 0.011 0.000 0.896 403 M CB 2.330 34.917 32.600 -0.023 0.000 1.684 403 M HN 0.635 nan 8.290 nan 0.000 0.491 404 L N 0.620 121.869 121.223 0.044 0.000 2.401 404 L HA 0.545 4.883 4.340 -0.002 0.000 0.266 404 L C -0.525 176.381 176.870 0.060 0.000 0.991 404 L CA -0.343 54.526 54.840 0.048 0.000 0.818 404 L CB 2.373 44.465 42.059 0.054 0.000 1.321 404 L HN 0.789 nan 8.230 nan 0.000 0.413 405 S N 0.303 116.037 115.700 0.056 0.000 3.385 405 S HA 0.192 4.661 4.470 -0.002 0.000 0.176 405 S C 1.520 176.157 174.600 0.062 0.000 0.851 405 S CA 0.373 58.612 58.200 0.066 0.000 1.039 405 S CB -0.297 62.939 63.200 0.061 0.000 1.241 405 S HN 0.883 nan 8.310 nan 0.000 0.859 406 G N 1.675 110.507 108.800 0.053 0.000 2.597 406 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.222 406 G HA3 -0.308 3.651 3.960 -0.002 0.000 0.222 406 G C 1.011 175.942 174.900 0.052 0.000 1.135 406 G CA 1.848 46.976 45.100 0.046 0.000 0.759 406 G HN 0.560 nan 8.290 nan 0.000 0.595 407 E N -0.178 120.057 120.200 0.059 0.000 2.160 407 E HA -0.059 4.290 4.350 -0.002 0.000 0.195 407 E C 2.747 179.390 176.600 0.072 0.000 0.991 407 E CA 1.792 58.235 56.400 0.072 0.000 0.810 407 E CB -0.303 29.439 29.700 0.071 0.000 0.742 407 E HN 0.652 nan 8.360 nan 0.000 0.466 408 T N -3.215 111.377 114.554 0.063 0.000 2.990 408 T HA 0.410 4.759 4.350 -0.002 0.000 0.249 408 T C 1.907 176.638 174.700 0.051 0.000 1.039 408 T CA 0.211 62.346 62.100 0.058 0.000 1.036 408 T CB 0.207 69.112 68.868 0.060 0.000 0.994 408 T HN 0.129 nan 8.240 nan 0.000 0.489 409 A N 2.536 125.389 122.820 0.055 0.000 1.898 409 A HA 0.171 4.490 4.320 -0.002 0.000 0.214 409 A C 2.071 179.675 177.584 0.032 0.000 1.183 409 A CA 1.194 53.263 52.037 0.054 0.000 0.622 409 A CB -0.173 18.866 19.000 0.065 0.000 0.824 409 A HN 0.546 nan 8.150 nan 0.000 0.444 410 K N -1.335 119.078 120.400 0.021 0.000 2.511 410 K HA 0.276 4.595 4.320 -0.002 0.000 0.209 410 K C 1.073 177.669 176.600 -0.008 0.000 1.301 410 K CA 0.445 56.733 56.287 0.001 0.000 0.967 410 K CB 0.206 32.702 32.500 -0.007 0.000 1.109 410 K HN 0.316 nan 8.250 nan 0.000 0.561 411 G N 0.901 109.706 108.800 0.008 0.000 2.651 411 G HA2 -0.016 3.942 3.960 -0.002 0.000 0.260 411 G HA3 -0.016 3.942 3.960 -0.002 0.000 0.260 411 G C 0.126 174.985 174.900 -0.068 0.000 1.216 411 G CA -0.437 44.667 45.100 0.007 0.000 0.913 411 G HN 0.070 nan 8.290 nan 0.000 0.535 412 N N -0.918 117.689 118.700 -0.154 0.000 2.398 412 N HA 0.062 4.801 4.740 -0.002 0.000 0.188 412 N C -0.299 174.672 175.510 -0.897 0.000 1.122 412 N CA 0.440 53.184 53.050 -0.511 0.000 0.866 412 N CB 0.187 38.289 38.487 -0.641 0.000 0.970 412 N HN 0.396 nan 8.380 nan 0.000 0.462 413 F N -0.188 119.772 119.950 0.016 0.000 2.576 413 F HA 0.320 4.845 4.527 -0.002 0.000 0.365 413 F C -1.652 174.160 175.800 0.020 0.000 1.506 413 F CA -1.440 56.570 58.000 0.017 0.000 1.113 413 F CB 1.506 40.516 39.000 0.017 0.000 1.293 413 F HN -0.137 nan 8.300 nan 0.000 0.540 414 P HA -0.138 nan 4.420 nan 0.000 0.216 414 P C 1.754 179.108 177.300 0.089 0.000 1.153 414 P CA 1.288 64.439 63.100 0.085 0.000 0.848 414 P CB 0.515 32.242 31.700 0.044 0.000 0.787 415 V N 0.592 120.558 119.914 0.087 0.000 2.307 415 V HA -0.204 3.914 4.120 -0.002 0.000 0.245 415 V C 2.543 178.691 176.094 0.090 0.000 1.045 415 V CA 2.052 64.398 62.300 0.076 0.000 1.024 415 V CB -1.475 30.387 31.823 0.066 0.000 0.651 415 V HN 0.052 nan 8.190 nan 0.000 0.449 416 E N 0.911 121.191 120.200 0.133 0.000 2.097 416 E HA -0.212 4.136 4.350 -0.002 0.000 0.196 416 E C 2.248 178.899 176.600 0.086 0.000 1.000 416 E CA 1.619 58.086 56.400 0.111 0.000 0.804 416 E CB -0.666 29.112 29.700 0.130 0.000 0.740 416 E HN 0.585 nan 8.360 nan 0.000 0.454 417 A N 0.428 123.312 122.820 0.107 0.000 1.908 417 A HA -0.178 4.141 4.320 -0.002 0.000 0.218 417 A C 2.482 180.108 177.584 0.070 0.000 1.181 417 A CA 1.563 53.650 52.037 0.082 0.000 0.627 417 A CB -0.694 18.362 19.000 0.093 0.000 0.818 417 A HN 0.167 nan 8.150 nan 0.000 0.445 418 V N 0.013 119.968 119.914 0.070 0.000 2.379 418 V HA -0.227 3.892 4.120 -0.002 0.000 0.245 418 V C 2.386 178.528 176.094 0.080 0.000 1.044 418 V CA 2.165 64.504 62.300 0.064 0.000 1.036 418 V CB -0.625 31.225 31.823 0.045 0.000 0.664 418 V HN 0.532 nan 8.190 nan 0.000 0.453 419 K N -0.655 119.788 120.400 0.071 0.000 2.103 419 K HA -0.241 4.078 4.320 -0.002 0.000 0.207 419 K C 2.120 178.793 176.600 0.121 0.000 1.048 419 K CA 1.870 58.210 56.287 0.088 0.000 0.930 419 K CB -0.265 32.272 32.500 0.061 0.000 0.716 419 K HN 0.309 nan 8.250 nan 0.000 0.444 420 M N 1.382 121.030 119.600 0.081 0.000 2.077 420 M HA -0.171 4.308 4.480 -0.002 0.000 0.261 420 M C 1.958 178.297 176.300 0.064 0.000 1.070 420 M CA 1.679 57.016 55.300 0.060 0.000 1.125 420 M CB -0.036 32.584 32.600 0.032 0.000 1.339 420 M HN 0.040 nan 8.290 nan 0.000 0.409 421 Q N -1.457 118.385 119.800 0.070 0.000 2.135 421 Q HA -0.276 4.063 4.340 -0.002 0.000 0.204 421 Q C 2.097 178.141 176.000 0.074 0.000 0.981 421 Q CA 2.081 57.919 55.803 0.060 0.000 0.856 421 Q CB -0.631 28.142 28.738 0.058 0.000 0.902 421 Q HN 0.732 nan 8.270 nan 0.000 0.425 422 H N 0.451 119.537 119.070 0.027 0.000 2.321 422 H HA -0.097 4.458 4.556 -0.002 0.000 0.300 422 H C 1.916 177.264 175.328 0.034 0.000 1.087 422 H CA 1.983 58.051 56.048 0.033 0.000 1.319 422 H CB -0.092 29.690 29.762 0.034 0.000 1.379 422 H HN 0.241 nan 8.280 nan 0.000 0.501 423 A N 0.545 123.367 122.820 0.003 0.000 1.877 423 A HA -0.087 4.232 4.320 -0.002 0.000 0.216 423 A C 2.537 180.078 177.584 -0.073 0.000 1.186 423 A CA 1.693 53.702 52.037 -0.045 0.000 0.620 423 A CB -0.784 18.242 19.000 0.044 0.000 0.822 423 A HN 0.521 nan 8.150 nan 0.000 0.443 424 I N -0.102 120.447 120.570 -0.035 0.000 2.163 424 I HA -0.238 3.931 4.170 -0.002 0.000 0.240 424 I C 2.954 179.048 176.117 -0.038 0.000 1.081 424 I CA 1.088 62.372 61.300 -0.026 0.000 1.353 424 I CB -0.478 37.518 38.000 -0.007 0.000 1.054 424 I HN 0.309 nan 8.210 nan 0.000 0.407 425 A N 0.955 123.746 122.820 -0.048 0.000 1.948 425 A HA -0.230 4.089 4.320 -0.002 0.000 0.220 425 A C 2.440 179.992 177.584 -0.052 0.000 1.177 425 A CA 1.659 53.673 52.037 -0.038 0.000 0.636 425 A CB -0.627 18.358 19.000 -0.026 0.000 0.815 425 A HN 0.338 nan 8.150 nan 0.000 0.449 426 R N -0.636 119.790 120.500 -0.122 0.000 2.066 426 R HA -0.102 4.237 4.340 -0.002 0.000 0.232 426 R C 2.068 178.349 176.300 -0.032 0.000 1.131 426 R CA 1.311 57.352 56.100 -0.098 0.000 0.955 426 R CB -0.378 29.814 30.300 -0.180 0.000 0.851 426 R HN 0.565 nan 8.270 nan 0.000 0.432 427 E N 0.877 121.057 120.200 -0.032 0.000 2.038 427 E HA -0.184 4.165 4.350 -0.002 0.000 0.195 427 E C 2.029 178.638 176.600 0.015 0.000 1.000 427 E CA 1.514 57.911 56.400 -0.005 0.000 0.803 427 E CB -0.326 29.368 29.700 -0.011 0.000 0.750 427 E HN 0.317 nan 8.360 nan 0.000 0.448 428 A N 1.377 124.205 122.820 0.014 0.000 1.902 428 A HA -0.221 4.098 4.320 -0.002 0.000 0.217 428 A C 2.084 179.700 177.584 0.054 0.000 1.181 428 A CA 1.729 53.785 52.037 0.033 0.000 0.623 428 A CB -0.542 18.474 19.000 0.026 0.000 0.818 428 A HN 0.224 nan 8.150 nan 0.000 0.443 429 E N -0.197 120.035 120.200 0.053 0.000 2.085 429 E HA -0.147 4.202 4.350 -0.002 0.000 0.194 429 E C 2.183 178.864 176.600 0.135 0.000 0.994 429 E CA 1.213 57.666 56.400 0.087 0.000 0.801 429 E CB -0.310 29.438 29.700 0.081 0.000 0.743 429 E HN 0.624 nan 8.360 nan 0.000 0.453 430 A N 0.745 123.633 122.820 0.114 0.000 2.070 430 A HA -0.009 4.310 4.320 -0.002 0.000 0.220 430 A C 2.159 179.836 177.584 0.155 0.000 1.159 430 A CA 1.417 53.539 52.037 0.141 0.000 0.656 430 A CB -0.287 18.767 19.000 0.089 0.000 0.800 430 A HN 0.272 nan 8.150 nan 0.000 0.453 431 A N -0.747 122.147 122.820 0.123 0.000 2.275 431 A HA 0.448 4.767 4.320 -0.002 0.000 0.212 431 A C 0.753 178.479 177.584 0.237 0.000 1.201 431 A CA -0.052 52.079 52.037 0.158 0.000 0.843 431 A CB -0.297 18.753 19.000 0.083 0.000 0.873 431 A HN 0.201 nan 8.150 nan 0.000 0.492 432 V N 0.560 120.517 119.914 0.071 0.000 2.617 432 V HA -0.118 4.000 4.120 -0.002 0.000 0.304 432 V C 0.428 176.399 176.094 -0.205 0.000 1.040 432 V CA 0.334 62.566 62.300 -0.113 0.000 1.149 432 V CB -0.141 31.456 31.823 -0.376 0.000 0.914 432 V HN 0.489 nan 8.190 nan 0.000 0.487 433 Y N 6.070 126.166 120.300 -0.340 0.000 2.636 433 Y HA 0.213 4.761 4.550 -0.003 0.000 0.334 433 Y C 1.619 177.385 175.900 -0.225 0.000 1.286 433 Y CA -0.681 57.145 58.100 -0.457 0.000 1.688 433 Y CB -0.776 37.346 38.460 -0.564 0.000 1.662 433 Y HN 0.742 nan 8.280 nan 0.000 0.465 434 H N 2.095 121.132 119.070 -0.055 0.000 2.353 434 H HA -0.250 4.305 4.556 -0.002 0.000 0.298 434 H C 2.289 177.453 175.328 -0.275 0.000 1.103 434 H CA 1.920 57.928 56.048 -0.067 0.000 1.293 434 H CB 0.075 29.891 29.762 0.090 0.000 1.372 434 H HN 0.547 nan 8.280 nan 0.000 0.501 435 R N 1.046 121.321 120.500 -0.375 0.000 2.168 435 R HA -0.274 4.065 4.340 -0.002 0.000 0.242 435 R C 2.452 178.480 176.300 -0.454 0.000 1.123 435 R CA 2.470 58.274 56.100 -0.492 0.000 0.928 435 R CB -0.354 29.571 30.300 -0.625 0.000 0.873 435 R HN 0.404 nan 8.270 nan 0.000 0.434 436 Q N -0.141 119.239 119.800 -0.700 0.000 2.061 436 Q HA -0.198 4.141 4.340 -0.002 0.000 0.204 436 Q C 2.252 178.174 176.000 -0.130 0.000 0.984 436 Q CA 1.807 57.435 55.803 -0.292 0.000 0.846 436 Q CB -0.167 28.524 28.738 -0.078 0.000 0.902 436 Q HN 0.392 nan 8.270 nan 0.000 0.421 437 L N 0.179 121.345 121.223 -0.096 0.000 1.989 437 L HA -0.191 4.147 4.340 -0.002 0.000 0.211 437 L C 2.099 179.056 176.870 0.144 0.000 1.071 437 L CA 1.887 56.745 54.840 0.029 0.000 0.749 437 L CB -1.071 41.019 42.059 0.052 0.000 0.890 437 L HN 0.338 nan 8.230 nan 0.000 0.431 438 F N 0.852 120.772 119.950 -0.049 0.000 2.069 438 F HA -0.211 4.316 4.527 0.000 0.000 0.298 438 F C 2.470 178.242 175.800 -0.046 0.000 1.113 438 F CA 2.034 60.018 58.000 -0.027 0.000 1.214 438 F CB -0.748 38.134 39.000 -0.196 0.000 0.978 438 F HN 0.301 nan 8.300 nan 0.000 0.474 439 E N 0.006 120.119 120.200 -0.145 0.000 2.049 439 E HA -0.268 4.081 4.350 -0.002 0.000 0.198 439 E C 2.130 178.645 176.600 -0.142 0.000 1.007 439 E CA 1.916 58.171 56.400 -0.241 0.000 0.809 439 E CB -0.335 29.257 29.700 -0.179 0.000 0.749 439 E HN 0.576 nan 8.360 nan 0.000 0.450 440 E N 0.446 120.610 120.200 -0.060 0.000 2.077 440 E HA -0.183 4.166 4.350 -0.002 0.000 0.193 440 E C 2.349 178.955 176.600 0.009 0.000 0.989 440 E CA 0.761 57.144 56.400 -0.028 0.000 0.800 440 E CB -0.131 29.558 29.700 -0.019 0.000 0.746 440 E HN 0.251 nan 8.360 nan 0.000 0.452 441 L N 0.774 122.041 121.223 0.073 0.000 1.976 441 L HA -0.194 4.145 4.340 -0.002 0.000 0.209 441 L C 2.654 179.618 176.870 0.156 0.000 1.071 441 L CA 1.288 56.216 54.840 0.146 0.000 0.746 441 L CB -0.518 41.702 42.059 0.269 0.000 0.890 441 L HN 0.053 nan 8.230 nan 0.000 0.432 442 R N -0.072 120.482 120.500 0.090 0.000 2.143 442 R HA -0.258 4.081 4.340 -0.002 0.000 0.239 442 R C 2.406 178.697 176.300 -0.014 0.000 1.126 442 R CA 1.880 57.968 56.100 -0.020 0.000 0.927 442 R CB -0.749 29.359 30.300 -0.319 0.000 0.860 442 R HN 0.293 nan 8.270 nan 0.000 0.433 443 R N 0.168 120.630 120.500 -0.062 0.000 2.119 443 R HA -0.199 4.140 4.340 -0.002 0.000 0.246 443 R C 2.319 178.612 176.300 -0.012 0.000 1.146 443 R CA 1.894 57.966 56.100 -0.048 0.000 0.962 443 R CB -0.289 29.976 30.300 -0.058 0.000 0.863 443 R HN 0.358 nan 8.270 nan 0.000 0.442 444 A N 0.493 123.317 122.820 0.008 0.000 1.898 444 A HA 0.211 4.530 4.320 -0.002 0.000 0.214 444 A C 1.021 178.624 177.584 0.031 0.000 1.183 444 A CA 0.699 52.745 52.037 0.016 0.000 0.622 444 A CB -0.242 18.767 19.000 0.015 0.000 0.824 444 A HN 0.400 nan 8.150 nan 0.000 0.444 445 A N 1.775 124.633 122.820 0.063 0.000 2.524 445 A HA 0.478 4.796 4.320 -0.002 0.000 0.250 445 A C -1.819 175.805 177.584 0.067 0.000 1.078 445 A CA -0.920 51.166 52.037 0.082 0.000 0.761 445 A CB -0.470 18.630 19.000 0.167 0.000 1.012 445 A HN 0.401 nan 8.150 nan 0.000 0.500 446 P HA 0.223 nan 4.420 nan 0.000 0.272 446 P C 0.034 177.361 177.300 0.045 0.000 1.240 446 P CA -0.347 62.774 63.100 0.036 0.000 0.791 446 P CB 0.363 32.079 31.700 0.027 0.000 0.978 447 L N 0.014 121.255 121.223 0.030 0.000 2.498 447 L HA 0.124 4.463 4.340 -0.002 0.000 0.293 447 L C 1.126 178.020 176.870 0.039 0.000 1.271 447 L CA 0.785 55.642 54.840 0.029 0.000 0.831 447 L CB -0.481 41.587 42.059 0.016 0.000 1.091 447 L HN 0.469 nan 8.230 nan 0.000 0.535 448 S N -0.753 114.971 115.700 0.041 0.000 2.541 448 S HA 0.500 4.969 4.470 -0.002 0.000 0.271 448 S C -0.070 174.553 174.600 0.037 0.000 1.133 448 S CA -0.741 57.487 58.200 0.046 0.000 0.876 448 S CB 1.917 65.160 63.200 0.072 0.000 1.105 448 S HN 0.620 nan 8.310 nan 0.000 0.470 449 R N 1.289 121.809 120.500 0.033 0.000 2.404 449 R HA 0.289 4.628 4.340 -0.002 0.000 0.237 449 R C -0.510 175.810 176.300 0.034 0.000 0.907 449 R CA 0.007 56.124 56.100 0.029 0.000 1.063 449 R CB 0.270 30.582 30.300 0.021 0.000 1.134 449 R HN 0.630 nan 8.270 nan 0.000 0.529 450 D N 0.436 120.859 120.400 0.039 0.000 2.338 450 D HA 0.057 4.696 4.640 -0.002 0.000 0.255 450 D C -1.723 174.610 176.300 0.056 0.000 1.237 450 D CA -2.180 51.844 54.000 0.040 0.000 0.883 450 D CB 1.567 42.387 40.800 0.033 0.000 1.087 450 D HN -0.071 nan 8.370 nan 0.000 0.485 451 P HA -0.158 nan 4.420 nan 0.000 0.216 451 P C 1.117 178.471 177.300 0.090 0.000 1.150 451 P CA 1.363 64.513 63.100 0.084 0.000 0.843 451 P CB 0.174 31.945 31.700 0.119 0.000 0.787 452 T N -0.618 113.986 114.554 0.084 0.000 2.652 452 T HA -0.183 4.166 4.350 -0.002 0.000 0.267 452 T C 1.644 176.400 174.700 0.094 0.000 1.039 452 T CA 1.237 63.386 62.100 0.082 0.000 1.153 452 T CB -0.737 68.165 68.868 0.057 0.000 0.863 452 T HN 0.284 nan 8.240 nan 0.000 0.428 453 E N 0.513 120.772 120.200 0.098 0.000 2.058 453 E HA -0.125 4.224 4.350 -0.002 0.000 0.194 453 E C 2.477 179.156 176.600 0.133 0.000 0.997 453 E CA 1.279 57.767 56.400 0.147 0.000 0.801 453 E CB -0.353 29.436 29.700 0.148 0.000 0.746 453 E HN 0.306 nan 8.360 nan 0.000 0.450 454 V N 1.180 121.147 119.914 0.088 0.000 2.392 454 V HA -0.263 3.856 4.120 -0.002 0.000 0.249 454 V C 2.345 178.468 176.094 0.050 0.000 1.059 454 V CA 2.208 64.542 62.300 0.057 0.000 1.051 454 V CB -0.942 30.910 31.823 0.048 0.000 0.658 454 V HN 0.298 nan 8.190 nan 0.000 0.455 455 T N 0.216 114.810 114.554 0.068 0.000 2.812 455 T HA -0.024 4.325 4.350 -0.002 0.000 0.264 455 T C 2.123 176.859 174.700 0.060 0.000 1.042 455 T CA 1.324 63.462 62.100 0.063 0.000 1.140 455 T CB -0.397 68.519 68.868 0.079 0.000 0.870 455 T HN 0.566 nan 8.240 nan 0.000 0.445 456 A N 1.779 124.651 122.820 0.086 0.000 1.849 456 A HA -0.080 4.239 4.320 -0.002 0.000 0.217 456 A C 2.297 179.920 177.584 0.065 0.000 1.202 456 A CA 1.569 53.673 52.037 0.112 0.000 0.629 456 A CB -1.068 18.054 19.000 0.205 0.000 0.834 456 A HN 0.497 nan 8.150 nan 0.000 0.447 457 I N -0.535 120.023 120.570 -0.021 0.000 2.264 457 I HA -0.216 3.953 4.170 -0.002 0.000 0.248 457 I C 2.350 178.443 176.117 -0.039 0.000 1.111 457 I CA 1.563 62.726 61.300 -0.228 0.000 1.382 457 I CB -0.478 37.222 38.000 -0.500 0.000 1.060 457 I HN 0.379 nan 8.210 nan 0.000 0.418 458 G N 0.105 108.901 108.800 -0.007 0.000 2.446 458 G HA2 -0.292 3.666 3.960 -0.002 0.000 0.217 458 G HA3 -0.292 3.666 3.960 -0.002 0.000 0.217 458 G C 1.735 176.652 174.900 0.029 0.000 1.168 458 G CA 0.787 45.900 45.100 0.021 0.000 0.771 458 G HN 0.566 nan 8.290 nan 0.000 0.551 459 A N 0.088 122.919 122.820 0.017 0.000 1.873 459 A HA 0.090 4.409 4.320 -0.002 0.000 0.215 459 A C 2.616 180.179 177.584 -0.035 0.000 1.186 459 A CA 1.814 53.850 52.037 -0.001 0.000 0.616 459 A CB -0.727 18.275 19.000 0.003 0.000 0.823 459 A HN 0.260 nan 8.150 nan 0.000 0.442 460 V N 0.266 120.154 119.914 -0.043 0.000 2.332 460 V HA -0.294 3.825 4.120 -0.002 0.000 0.248 460 V C 2.639 178.707 176.094 -0.042 0.000 1.055 460 V CA 2.602 64.819 62.300 -0.138 0.000 1.038 460 V CB -0.763 30.972 31.823 -0.146 0.000 0.651 460 V HN 0.781 nan 8.190 nan 0.000 0.450 461 E N 0.776 121.056 120.200 0.135 0.000 2.051 461 E HA -0.184 4.164 4.350 -0.002 0.000 0.192 461 E C 2.125 178.827 176.600 0.170 0.000 0.991 461 E CA 1.748 58.318 56.400 0.283 0.000 0.799 461 E CB -0.549 29.300 29.700 0.248 0.000 0.748 461 E HN 0.496 nan 8.360 nan 0.000 0.449 462 A N 0.943 123.808 122.820 0.074 0.000 1.908 462 A HA -0.110 4.209 4.320 -0.002 0.000 0.218 462 A C 2.476 180.065 177.584 0.007 0.000 1.181 462 A CA 2.323 54.384 52.037 0.039 0.000 0.627 462 A CB -1.180 17.828 19.000 0.015 0.000 0.818 462 A HN 0.428 nan 8.150 nan 0.000 0.445 463 A N -1.049 121.731 122.820 -0.066 0.000 1.865 463 A HA -0.075 4.244 4.320 -0.002 0.000 0.217 463 A C 2.027 179.511 177.584 -0.167 0.000 1.191 463 A CA 1.550 53.485 52.037 -0.170 0.000 0.623 463 A CB -0.887 17.924 19.000 -0.316 0.000 0.826 463 A HN 0.506 nan 8.150 nan 0.000 0.444 464 F N -0.057 119.840 119.950 -0.089 0.000 2.126 464 F HA -0.218 4.309 4.527 -0.000 0.000 0.299 464 F C 2.346 178.132 175.800 -0.023 0.000 1.096 464 F CA 1.846 59.803 58.000 -0.071 0.000 1.255 464 F CB -0.026 38.942 39.000 -0.054 0.000 0.997 464 F HN 0.169 nan 8.300 nan 0.000 0.479 465 K N 0.547 121.052 120.400 0.176 0.000 2.283 465 K HA -0.122 4.197 4.320 -0.002 0.000 0.202 465 K C 1.300 177.940 176.600 0.067 0.000 1.048 465 K CA 1.460 57.816 56.287 0.114 0.000 0.948 465 K CB -0.367 32.186 32.500 0.088 0.000 0.742 465 K HN 0.420 nan 8.250 nan 0.000 0.458 466 C N -2.486 116.838 119.300 0.039 0.000 3.115 466 C HA 0.449 4.907 4.460 -0.002 0.000 0.277 466 C C 0.318 175.309 174.990 0.002 0.000 1.460 466 C CA -0.977 58.052 59.018 0.017 0.000 1.789 466 C CB -1.852 25.891 27.740 0.005 0.000 2.674 466 C HN 0.370 nan 8.230 nan 0.000 0.582 467 C N 2.404 121.705 119.300 0.003 0.000 3.744 467 C HA 0.052 4.510 4.460 -0.002 0.000 0.290 467 C C 1.419 176.374 174.990 -0.058 0.000 1.385 467 C CA 0.493 59.495 59.018 -0.026 0.000 2.099 467 C CB -3.307 24.435 27.740 0.002 0.000 1.359 467 C HN 1.160 nan 8.230 nan 0.000 0.629 468 A N 0.448 123.215 122.820 -0.089 0.000 2.531 468 A HA 0.467 4.786 4.320 -0.002 0.000 0.236 468 A C 1.388 178.912 177.584 -0.101 0.000 1.062 468 A CA 0.826 52.810 52.037 -0.089 0.000 0.760 468 A CB 0.301 19.237 19.000 -0.108 0.000 0.995 468 A HN 1.850 nan 8.150 nan 0.000 0.501 469 A N 1.946 124.724 122.820 -0.071 0.000 1.968 469 A HA 0.440 4.759 4.320 -0.002 0.000 0.217 469 A C 1.193 178.718 177.584 -0.098 0.000 1.169 469 A CA 1.842 53.837 52.037 -0.071 0.000 0.638 469 A CB -0.346 18.633 19.000 -0.035 0.000 0.812 469 A HN 2.365 nan 8.150 nan 0.000 0.446 470 A N -1.535 121.233 122.820 -0.088 0.000 2.612 470 A HA 0.655 4.974 4.320 -0.002 0.000 0.293 470 A C -1.252 176.286 177.584 -0.075 0.000 1.075 470 A CA -0.529 51.455 52.037 -0.089 0.000 0.680 470 A CB 0.608 19.573 19.000 -0.059 0.000 1.279 470 A HN 0.229 nan 8.150 nan 0.000 0.411 471 I N 1.472 122.002 120.570 -0.067 0.000 2.362 471 I HA 0.404 4.573 4.170 -0.002 0.000 0.289 471 I C -0.782 175.326 176.117 -0.015 0.000 0.994 471 I CA -0.253 61.018 61.300 -0.047 0.000 1.158 471 I CB 1.546 39.511 38.000 -0.058 0.000 1.315 471 I HN 0.463 nan 8.210 nan 0.000 0.451 472 I N 7.174 127.741 120.570 -0.006 0.000 2.321 472 I HA 0.378 4.547 4.170 -0.002 0.000 0.291 472 I C -0.611 175.513 176.117 0.011 0.000 0.998 472 I CA -0.759 60.548 61.300 0.011 0.000 1.227 472 I CB 1.432 39.436 38.000 0.006 0.000 1.368 472 I HN 0.220 nan 8.210 nan 0.000 0.466 473 V N 6.254 126.181 119.914 0.022 0.000 2.588 473 V HA 0.405 4.524 4.120 -0.002 0.000 0.304 473 V C -0.266 175.841 176.094 0.022 0.000 1.042 473 V CA -0.948 61.365 62.300 0.021 0.000 0.877 473 V CB 1.598 33.437 31.823 0.026 0.000 0.996 473 V HN 0.341 nan 8.190 nan 0.000 0.425 474 L N 3.485 124.715 121.223 0.012 0.000 2.367 474 L HA 0.678 5.016 4.340 -0.002 0.000 0.275 474 L C 0.515 177.403 176.870 0.030 0.000 1.129 474 L CA 1.065 55.909 54.840 0.008 0.000 0.839 474 L CB 1.024 43.073 42.059 -0.017 0.000 1.133 474 L HN 1.001 nan 8.230 nan 0.000 0.453 475 T N 0.853 115.427 114.554 0.034 0.000 2.982 475 T HA 0.410 4.759 4.350 -0.002 0.000 0.321 475 T C 0.558 175.282 174.700 0.040 0.000 1.229 475 T CA -0.275 61.848 62.100 0.037 0.000 1.044 475 T CB 1.247 70.132 68.868 0.029 0.000 1.184 475 T HN 0.633 nan 8.240 nan 0.000 0.477 476 T N 1.641 116.218 114.554 0.038 0.000 3.042 476 T HA 0.109 4.457 4.350 -0.002 0.000 0.245 476 T C 1.764 176.480 174.700 0.027 0.000 1.029 476 T CA 1.178 63.300 62.100 0.038 0.000 1.120 476 T CB 0.022 68.913 68.868 0.039 0.000 0.917 476 T HN 0.823 nan 8.240 nan 0.000 0.467 477 T N -1.828 112.737 114.554 0.017 0.000 3.040 477 T HA 0.498 4.847 4.350 -0.002 0.000 0.266 477 T C 1.719 176.423 174.700 0.006 0.000 1.005 477 T CA 0.829 62.935 62.100 0.010 0.000 0.906 477 T CB 0.497 69.364 68.868 -0.000 0.000 1.082 477 T HN 0.433 nan 8.240 nan 0.000 0.531 478 G N 2.108 110.912 108.800 0.008 0.000 2.268 478 G HA2 -0.362 3.597 3.960 -0.002 0.000 0.240 478 G HA3 -0.362 3.597 3.960 -0.002 0.000 0.240 478 G C 1.001 175.900 174.900 -0.002 0.000 1.010 478 G CA 0.571 45.671 45.100 -0.001 0.000 0.618 478 G HN 0.612 nan 8.290 nan 0.000 0.516 479 R N 1.333 121.833 120.500 -0.000 0.000 2.113 479 R HA -0.149 4.190 4.340 -0.002 0.000 0.244 479 R C 2.882 179.187 176.300 0.008 0.000 1.142 479 R CA 2.819 58.918 56.100 -0.001 0.000 0.953 479 R CB -0.376 29.919 30.300 -0.007 0.000 0.860 479 R HN 0.632 nan 8.270 nan 0.000 0.438 480 S N -0.067 115.644 115.700 0.017 0.000 2.428 480 S HA -0.005 4.464 4.470 -0.002 0.000 0.230 480 S C 2.084 176.700 174.600 0.027 0.000 1.014 480 S CA 0.671 58.889 58.200 0.031 0.000 0.957 480 S CB -0.076 63.150 63.200 0.043 0.000 0.784 480 S HN 0.482 nan 8.310 nan 0.000 0.499 481 A N 1.998 124.826 122.820 0.014 0.000 1.877 481 A HA -0.182 4.137 4.320 -0.002 0.000 0.216 481 A C 2.311 179.891 177.584 -0.007 0.000 1.186 481 A CA 1.683 53.721 52.037 0.002 0.000 0.620 481 A CB -0.904 18.090 19.000 -0.011 0.000 0.822 481 A HN 0.584 nan 8.150 nan 0.000 0.443 482 Q N -0.272 119.521 119.800 -0.011 0.000 2.050 482 Q HA -0.138 4.201 4.340 -0.002 0.000 0.202 482 Q C 1.956 177.947 176.000 -0.016 0.000 0.980 482 Q CA 1.676 57.466 55.803 -0.021 0.000 0.840 482 Q CB -0.297 28.428 28.738 -0.021 0.000 0.898 482 Q HN 0.668 nan 8.270 nan 0.000 0.424 483 L N 0.374 121.602 121.223 0.008 0.000 2.127 483 L HA -0.214 4.125 4.340 -0.002 0.000 0.211 483 L C 2.404 179.325 176.870 0.085 0.000 1.089 483 L CA 0.725 55.584 54.840 0.031 0.000 0.757 483 L CB -0.420 41.684 42.059 0.075 0.000 0.899 483 L HN 0.328 nan 8.230 nan 0.000 0.434 484 L N -0.456 120.814 121.223 0.078 0.000 1.994 484 L HA -0.211 4.127 4.340 -0.002 0.000 0.208 484 L C 2.944 179.851 176.870 0.061 0.000 1.071 484 L CA 1.747 56.645 54.840 0.095 0.000 0.745 484 L CB -0.612 41.471 42.059 0.039 0.000 0.892 484 L HN 0.372 nan 8.230 nan 0.000 0.431 485 S N -0.326 115.375 115.700 0.001 0.000 2.382 485 S HA -0.248 4.221 4.470 -0.002 0.000 0.228 485 S C 2.188 176.768 174.600 -0.032 0.000 1.027 485 S CA 0.764 58.951 58.200 -0.022 0.000 0.991 485 S CB -0.486 62.686 63.200 -0.048 0.000 0.823 485 S HN 0.278 nan 8.310 nan 0.000 0.469 486 R N 0.108 120.556 120.500 -0.086 0.000 2.208 486 R HA -0.204 4.135 4.340 -0.002 0.000 0.262 486 R C 1.111 177.239 176.300 -0.287 0.000 1.166 486 R CA 2.151 58.120 56.100 -0.218 0.000 0.987 486 R CB -0.576 29.517 30.300 -0.345 0.000 0.887 486 R HN 0.710 nan 8.270 nan 0.000 0.459 487 Y N -0.060 120.279 120.300 0.066 0.000 2.468 487 Y HA 0.207 4.755 4.550 -0.003 0.000 0.268 487 Y C 0.235 176.166 175.900 0.051 0.000 1.177 487 Y CA -0.516 57.653 58.100 0.115 0.000 1.265 487 Y CB 0.516 39.070 38.460 0.157 0.000 1.103 487 Y HN -0.098 nan 8.280 nan 0.000 0.522 488 R N -0.496 120.072 120.500 0.114 0.000 3.059 488 R HA -0.153 4.186 4.340 -0.002 0.000 0.251 488 R C -2.991 173.327 176.300 0.030 0.000 0.886 488 R CA -0.019 56.139 56.100 0.098 0.000 0.634 488 R CB -2.057 28.353 30.300 0.183 0.000 1.282 488 R HN 0.287 nan 8.270 nan 0.000 0.487 489 P HA 0.071 nan 4.420 nan 0.000 0.271 489 P C 0.818 177.864 177.300 -0.423 0.000 1.244 489 P CA -0.293 62.544 63.100 -0.439 0.000 0.793 489 P CB 0.571 32.052 31.700 -0.365 0.000 0.984 490 R N 1.141 121.209 120.500 -0.719 0.000 2.146 490 R HA 0.241 4.579 4.340 -0.002 0.000 0.206 490 R C 0.639 176.749 176.300 -0.316 0.000 1.049 490 R CA 0.318 56.116 56.100 -0.503 0.000 1.029 490 R CB -0.513 29.428 30.300 -0.599 0.000 0.949 490 R HN 0.503 nan 8.270 nan 0.000 0.471 491 A N 1.472 124.063 122.820 -0.382 0.000 2.555 491 A HA 0.387 4.705 4.320 -0.002 0.000 0.233 491 A C 0.081 177.560 177.584 -0.175 0.000 1.060 491 A CA 0.353 52.239 52.037 -0.252 0.000 0.759 491 A CB -0.022 18.822 19.000 -0.260 0.000 0.995 491 A HN 0.581 nan 8.150 nan 0.000 0.506 492 A N 1.733 124.470 122.820 -0.140 0.000 2.388 492 A HA 0.492 4.810 4.320 -0.002 0.000 0.257 492 A C 0.086 177.670 177.584 -0.001 0.000 1.095 492 A CA -0.307 51.708 52.037 -0.038 0.000 0.791 492 A CB 0.121 18.933 19.000 -0.313 0.000 1.029 492 A HN 1.146 nan 8.150 nan 0.000 0.489 493 V N 4.614 124.585 119.914 0.095 0.000 2.339 493 V HA 0.141 4.260 4.120 -0.002 0.000 0.261 493 V C 0.059 176.233 176.094 0.134 0.000 1.058 493 V CA 0.230 62.564 62.300 0.057 0.000 0.897 493 V CB -0.077 31.747 31.823 0.003 0.000 1.052 493 V HN 0.639 nan 8.190 nan 0.000 0.480 494 I N 4.950 125.579 120.570 0.099 0.000 2.291 494 I HA 0.474 4.642 4.170 -0.002 0.000 0.292 494 I C 0.678 176.854 176.117 0.099 0.000 1.064 494 I CA -0.001 61.380 61.300 0.135 0.000 1.269 494 I CB 1.059 39.126 38.000 0.111 0.000 1.418 494 I HN 0.614 nan 8.210 nan 0.000 0.485 495 A N 7.137 130.019 122.820 0.103 0.000 2.260 495 A HA 0.672 4.991 4.320 -0.002 0.000 0.314 495 A C -0.417 177.230 177.584 0.104 0.000 1.257 495 A CA -0.434 51.646 52.037 0.072 0.000 0.871 495 A CB 0.797 19.817 19.000 0.034 0.000 1.166 495 A HN 0.457 nan 8.150 nan 0.000 0.522 496 V N 2.451 122.422 119.914 0.096 0.000 2.398 496 V HA 0.735 4.854 4.120 -0.002 0.000 0.286 496 V C 0.357 176.505 176.094 0.089 0.000 1.026 496 V CA -0.157 62.224 62.300 0.134 0.000 0.868 496 V CB 1.276 33.166 31.823 0.111 0.000 0.982 496 V HN 0.989 nan 8.190 nan 0.000 0.443 497 T N 3.886 118.517 114.554 0.129 0.000 2.894 497 T HA 0.400 4.749 4.350 -0.002 0.000 0.309 497 T C 0.514 175.295 174.700 0.136 0.000 1.208 497 T CA -0.582 61.578 62.100 0.100 0.000 1.016 497 T CB 1.901 70.817 68.868 0.080 0.000 1.192 497 T HN 0.640 nan 8.240 nan 0.000 0.491 498 R N 0.954 121.522 120.500 0.113 0.000 2.254 498 R HA 0.168 4.507 4.340 -0.002 0.000 0.195 498 R C 0.737 177.081 176.300 0.074 0.000 0.957 498 R CA 0.068 56.234 56.100 0.111 0.000 1.024 498 R CB 0.246 30.610 30.300 0.107 0.000 0.952 498 R HN 0.468 nan 8.270 nan 0.000 0.484 499 S N 0.668 116.409 115.700 0.068 0.000 2.416 499 S HA 0.246 4.715 4.470 -0.002 0.000 0.302 499 S C 1.187 175.825 174.600 0.064 0.000 1.120 499 S CA -0.320 57.912 58.200 0.053 0.000 1.067 499 S CB 1.241 64.467 63.200 0.043 0.000 1.057 499 S HN 0.326 nan 8.310 nan 0.000 0.518 500 A N 4.521 127.379 122.820 0.064 0.000 1.948 500 A HA -0.198 4.120 4.320 -0.002 0.000 0.220 500 A C 2.101 179.736 177.584 0.085 0.000 1.177 500 A CA 2.051 54.141 52.037 0.088 0.000 0.636 500 A CB -0.823 18.224 19.000 0.077 0.000 0.815 500 A HN 0.905 nan 8.150 nan 0.000 0.449 501 Q N -0.645 119.190 119.800 0.059 0.000 2.020 501 Q HA -0.013 4.326 4.340 -0.002 0.000 0.198 501 Q C 2.165 178.189 176.000 0.040 0.000 0.974 501 Q CA 1.725 57.557 55.803 0.048 0.000 0.829 501 Q CB -0.444 28.314 28.738 0.034 0.000 0.894 501 Q HN 0.541 nan 8.270 nan 0.000 0.433 502 A N 0.880 123.720 122.820 0.034 0.000 1.948 502 A HA -0.196 4.123 4.320 -0.002 0.000 0.220 502 A C 2.323 179.912 177.584 0.009 0.000 1.177 502 A CA 1.894 53.944 52.037 0.021 0.000 0.636 502 A CB -1.221 17.793 19.000 0.023 0.000 0.815 502 A HN 0.609 nan 8.150 nan 0.000 0.449 503 A N -0.373 122.465 122.820 0.031 0.000 1.940 503 A HA -0.180 4.139 4.320 -0.002 0.000 0.219 503 A C 2.267 179.820 177.584 -0.050 0.000 1.176 503 A CA 1.597 53.643 52.037 0.016 0.000 0.631 503 A CB -0.409 18.650 19.000 0.098 0.000 0.814 503 A HN 0.604 nan 8.150 nan 0.000 0.446 504 R N -0.850 119.664 120.500 0.023 0.000 2.062 504 R HA -0.065 4.274 4.340 -0.002 0.000 0.226 504 R C 2.371 178.700 176.300 0.048 0.000 1.125 504 R CA 1.416 57.560 56.100 0.074 0.000 0.966 504 R CB -0.377 29.989 30.300 0.109 0.000 0.861 504 R HN 0.645 nan 8.270 nan 0.000 0.433 505 Q N 0.391 120.205 119.800 0.022 0.000 2.291 505 Q HA -0.084 4.254 4.340 -0.002 0.000 0.206 505 Q C 2.015 178.015 176.000 -0.000 0.000 0.976 505 Q CA 0.873 56.690 55.803 0.024 0.000 0.875 505 Q CB 0.055 28.803 28.738 0.016 0.000 0.927 505 Q HN 0.127 nan 8.270 nan 0.000 0.450 506 V N 0.644 120.516 119.914 -0.069 0.000 2.759 506 V HA -0.223 3.896 4.120 -0.002 0.000 0.256 506 V C 1.744 177.766 176.094 -0.120 0.000 1.080 506 V CA 1.377 63.613 62.300 -0.106 0.000 1.101 506 V CB -0.571 31.171 31.823 -0.134 0.000 0.698 506 V HN 0.468 nan 8.190 nan 0.000 0.477 507 H N -1.024 118.026 119.070 -0.034 0.000 2.518 507 H HA -0.134 4.421 4.556 -0.002 0.000 0.294 507 H C 1.941 177.245 175.328 -0.039 0.000 1.083 507 H CA 1.142 57.158 56.048 -0.054 0.000 1.264 507 H CB 0.009 29.757 29.762 -0.023 0.000 1.370 507 H HN 0.281 nan 8.280 nan 0.000 0.560 508 L N -0.209 121.067 121.223 0.090 0.000 2.478 508 L HA -0.005 4.333 4.340 -0.002 0.000 0.223 508 L C 0.515 177.399 176.870 0.023 0.000 1.140 508 L CA 0.435 55.319 54.840 0.073 0.000 0.842 508 L CB -0.042 42.063 42.059 0.076 0.000 0.953 508 L HN 0.127 nan 8.230 nan 0.000 0.452 509 C N 0.531 119.822 119.300 -0.015 0.000 2.264 509 C HA 0.377 4.836 4.460 -0.002 0.000 0.324 509 C C 0.893 175.837 174.990 -0.078 0.000 1.267 509 C CA -1.378 57.614 59.018 -0.043 0.000 1.618 509 C CB 0.460 28.168 27.740 -0.054 0.000 2.278 509 C HN 0.319 nan 8.230 nan 0.000 0.499 510 R N 2.100 122.564 120.500 -0.060 0.000 2.523 510 R HA 0.275 4.614 4.340 -0.002 0.000 0.281 510 R C 1.300 177.523 176.300 -0.129 0.000 0.969 510 R CA 1.847 57.900 56.100 -0.079 0.000 1.093 510 R CB -0.102 30.181 30.300 -0.029 0.000 0.917 510 R HN 1.250 nan 8.270 nan 0.000 0.408 511 G N 2.361 111.022 108.800 -0.232 0.000 2.176 511 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.253 511 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.253 511 G C -0.228 174.427 174.900 -0.407 0.000 0.979 511 G CA 0.055 45.006 45.100 -0.249 0.000 0.641 511 G HN 0.546 nan 8.290 nan 0.000 0.530 512 V N 0.883 120.500 119.914 -0.496 0.000 2.439 512 V HA 0.705 4.823 4.120 -0.002 0.000 0.282 512 V C -0.173 175.516 176.094 -0.676 0.000 1.039 512 V CA -0.451 61.613 62.300 -0.392 0.000 0.913 512 V CB 1.105 32.802 31.823 -0.210 0.000 0.983 512 V HN 0.215 nan 8.190 nan 0.000 0.460 513 F N 6.422 126.340 119.950 -0.054 0.000 2.382 513 F HA 0.487 5.013 4.527 -0.002 0.000 0.361 513 F C -2.198 173.608 175.800 0.009 0.000 1.109 513 F CA -2.509 55.488 58.000 -0.005 0.000 1.031 513 F CB 1.853 40.839 39.000 -0.023 0.000 1.234 513 F HN 0.314 nan 8.300 nan 0.000 0.445 514 P HA 0.344 nan 4.420 nan 0.000 0.284 514 P C -0.996 176.405 177.300 0.167 0.000 1.253 514 P CA -0.278 62.850 63.100 0.048 0.000 0.800 514 P CB 1.874 33.508 31.700 -0.110 0.000 0.961 515 L N 3.232 124.584 121.223 0.216 0.000 2.349 515 L HA 0.394 4.733 4.340 -0.002 0.000 0.278 515 L C -0.032 177.072 176.870 0.390 0.000 0.996 515 L CA -1.230 53.803 54.840 0.322 0.000 0.825 515 L CB 1.971 44.210 42.059 0.300 0.000 1.243 515 L HN 0.240 nan 8.230 nan 0.000 0.412 516 L N 3.796 125.267 121.223 0.413 0.000 2.290 516 L HA 0.339 4.678 4.340 -0.002 0.000 0.284 516 L C -0.910 176.116 176.870 0.260 0.000 1.078 516 L CA 0.144 55.166 54.840 0.303 0.000 0.815 516 L CB 0.687 42.897 42.059 0.251 0.000 1.162 516 L HN 0.384 nan 8.230 nan 0.000 0.435 517 Y N 4.893 125.176 120.300 -0.028 0.000 2.341 517 Y HA 0.475 5.024 4.550 -0.002 0.000 0.337 517 Y C 0.780 176.534 175.900 -0.242 0.000 1.014 517 Y CA -0.290 57.617 58.100 -0.321 0.000 1.111 517 Y CB 1.196 39.484 38.460 -0.288 0.000 1.194 517 Y HN 0.760 nan 8.280 nan 0.000 0.462 518 R N 1.740 121.760 120.500 -0.799 0.000 2.316 518 R HA 0.124 4.463 4.340 -0.002 0.000 0.201 518 R C -0.263 175.709 176.300 -0.547 0.000 0.888 518 R CA -0.200 55.594 56.100 -0.510 0.000 1.041 518 R CB 0.356 30.435 30.300 -0.368 0.000 1.115 518 R HN 0.580 nan 8.270 nan 0.000 0.559 519 E N 2.917 122.575 120.200 -0.905 0.000 2.437 519 E HA 0.058 4.407 4.350 -0.002 0.000 0.263 519 E C -2.217 174.234 176.600 -0.249 0.000 1.030 519 E CA -1.518 54.566 56.400 -0.527 0.000 0.934 519 E CB -0.069 29.327 29.700 -0.506 0.000 0.943 519 E HN -0.002 nan 8.360 nan 0.000 0.444 520 P HA 0.178 nan 4.420 nan 0.000 0.275 520 P C -2.417 174.899 177.300 0.027 0.000 1.228 520 P CA -1.235 61.843 63.100 -0.036 0.000 0.786 520 P CB -0.429 31.251 31.700 -0.034 0.000 0.927 521 P HA -0.011 nan 4.420 nan 0.000 0.265 521 P C 0.036 177.374 177.300 0.063 0.000 1.187 521 P CA 0.516 63.668 63.100 0.086 0.000 0.766 521 P CB 0.308 32.062 31.700 0.089 0.000 0.820 522 E N 1.341 121.580 120.200 0.065 0.000 2.371 522 E HA 0.155 4.504 4.350 -0.002 0.000 0.257 522 E C 1.271 177.907 176.600 0.060 0.000 1.134 522 E CA -0.262 56.167 56.400 0.048 0.000 0.919 522 E CB 0.556 30.275 29.700 0.032 0.000 1.025 522 E HN 0.401 nan 8.360 nan 0.000 0.438 523 A N 2.233 125.081 122.820 0.048 0.000 1.858 523 A HA -0.093 4.226 4.320 -0.002 0.000 0.216 523 A C 1.284 178.914 177.584 0.078 0.000 1.190 523 A CA 0.886 52.955 52.037 0.053 0.000 0.617 523 A CB -0.427 18.596 19.000 0.037 0.000 0.827 523 A HN 0.576 nan 8.150 nan 0.000 0.443 524 I N -0.622 119.991 120.570 0.071 0.000 2.421 524 I HA -0.033 4.136 4.170 -0.002 0.000 0.291 524 I C 1.005 177.197 176.117 0.126 0.000 1.089 524 I CA -0.395 60.961 61.300 0.093 0.000 1.354 524 I CB 0.734 38.768 38.000 0.057 0.000 1.413 524 I HN 0.656 nan 8.210 nan 0.000 0.513 525 W N 6.626 127.920 121.300 -0.010 0.000 2.302 525 W HA -0.363 4.296 4.660 -0.002 0.000 0.320 525 W C 2.308 178.818 176.519 -0.015 0.000 1.241 525 W CA 2.366 59.701 57.345 -0.018 0.000 1.264 525 W CB -0.142 29.299 29.460 -0.031 0.000 1.154 525 W HN 0.627 nan 8.180 nan 0.000 0.483 526 A N 0.359 123.134 122.820 -0.076 0.000 1.915 526 A HA -0.336 3.983 4.320 -0.002 0.000 0.220 526 A C 1.780 179.215 177.584 -0.248 0.000 1.198 526 A CA 2.564 54.449 52.037 -0.254 0.000 0.647 526 A CB -1.256 17.716 19.000 -0.046 0.000 0.825 526 A HN 0.413 nan 8.150 nan 0.000 0.456 527 D N -0.659 119.665 120.400 -0.126 0.000 2.117 527 D HA -0.130 4.509 4.640 -0.002 0.000 0.197 527 D C 1.620 177.840 176.300 -0.133 0.000 0.987 527 D CA 1.628 55.571 54.000 -0.095 0.000 0.829 527 D CB -0.556 40.224 40.800 -0.033 0.000 0.961 527 D HN 0.587 nan 8.370 nan 0.000 0.460 528 D N -0.058 120.245 120.400 -0.161 0.000 2.104 528 D HA -0.129 4.510 4.640 -0.002 0.000 0.194 528 D C 2.103 178.226 176.300 -0.294 0.000 0.994 528 D CA 0.760 54.660 54.000 -0.165 0.000 0.830 528 D CB 0.108 40.845 40.800 -0.106 0.000 0.959 528 D HN -0.086 nan 8.370 nan 0.000 0.452 529 V N 0.774 120.393 119.914 -0.492 0.000 2.252 529 V HA -0.280 3.839 4.120 -0.002 0.000 0.249 529 V C 1.906 177.824 176.094 -0.294 0.000 1.056 529 V CA 2.197 64.204 62.300 -0.488 0.000 1.022 529 V CB -0.575 30.814 31.823 -0.724 0.000 0.641 529 V HN 0.254 nan 8.190 nan 0.000 0.445 530 D N -0.417 119.845 120.400 -0.230 0.000 2.117 530 D HA -0.133 4.506 4.640 -0.002 0.000 0.197 530 D C 2.400 178.647 176.300 -0.089 0.000 0.987 530 D CA 1.049 54.969 54.000 -0.133 0.000 0.829 530 D CB -0.336 40.407 40.800 -0.096 0.000 0.961 530 D HN 0.371 nan 8.370 nan 0.000 0.460 531 R N 0.576 121.027 120.500 -0.082 0.000 2.091 531 R HA -0.046 4.293 4.340 -0.002 0.000 0.238 531 R C 2.350 178.626 176.300 -0.040 0.000 1.136 531 R CA 0.761 56.855 56.100 -0.010 0.000 0.959 531 R CB -0.327 30.002 30.300 0.048 0.000 0.856 531 R HN 0.271 nan 8.270 nan 0.000 0.437 532 R N 0.354 120.700 120.500 -0.256 0.000 2.073 532 R HA -0.081 4.257 4.340 -0.002 0.000 0.234 532 R C 2.452 178.702 176.300 -0.083 0.000 1.134 532 R CA 1.427 57.293 56.100 -0.389 0.000 0.952 532 R CB -0.524 29.454 30.300 -0.538 0.000 0.850 532 R HN 0.025 nan 8.270 nan 0.000 0.433 533 V N 1.074 120.936 119.914 -0.085 0.000 2.255 533 V HA -0.286 3.832 4.120 -0.002 0.000 0.247 533 V C 2.287 178.387 176.094 0.009 0.000 1.051 533 V CA 1.831 64.110 62.300 -0.035 0.000 1.018 533 V CB -0.520 31.270 31.823 -0.055 0.000 0.641 533 V HN 0.255 nan 8.190 nan 0.000 0.445 534 Q N -0.813 118.999 119.800 0.020 0.000 2.112 534 Q HA -0.219 4.120 4.340 -0.002 0.000 0.206 534 Q C 1.935 177.995 176.000 0.100 0.000 0.987 534 Q CA 2.062 57.894 55.803 0.048 0.000 0.858 534 Q CB -0.751 28.018 28.738 0.051 0.000 0.905 534 Q HN 0.660 nan 8.270 nan 0.000 0.420 535 F N 0.017 119.976 119.950 0.015 0.000 2.091 535 F HA -0.167 4.359 4.527 -0.002 0.000 0.299 535 F C 1.941 177.775 175.800 0.057 0.000 1.103 535 F CA 1.965 60.010 58.000 0.075 0.000 1.228 535 F CB -0.815 38.289 39.000 0.173 0.000 0.984 535 F HN 0.128 nan 8.300 nan 0.000 0.477 536 G N 0.773 109.561 108.800 -0.021 0.000 2.446 536 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.217 536 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.217 536 G C 1.872 176.707 174.900 -0.108 0.000 1.168 536 G CA 1.315 46.360 45.100 -0.091 0.000 0.771 536 G HN 0.484 nan 8.290 nan 0.000 0.551 537 I N 0.211 120.746 120.570 -0.059 0.000 2.127 537 I HA -0.186 3.983 4.170 -0.002 0.000 0.241 537 I C 2.742 178.807 176.117 -0.086 0.000 1.075 537 I CA 1.620 62.890 61.300 -0.050 0.000 1.334 537 I CB -0.280 37.705 38.000 -0.025 0.000 1.040 537 I HN 0.283 nan 8.210 nan 0.000 0.405 538 E N 0.600 120.739 120.200 -0.101 0.000 2.023 538 E HA -0.226 4.122 4.350 -0.002 0.000 0.196 538 E C 2.260 178.746 176.600 -0.190 0.000 1.003 538 E CA 2.064 58.396 56.400 -0.114 0.000 0.809 538 E CB 0.050 29.707 29.700 -0.071 0.000 0.755 538 E HN 0.419 nan 8.360 nan 0.000 0.449 539 S N 0.162 115.667 115.700 -0.324 0.000 2.380 539 S HA -0.216 4.253 4.470 -0.002 0.000 0.229 539 S C 2.000 176.428 174.600 -0.287 0.000 1.043 539 S CA 1.088 59.080 58.200 -0.347 0.000 1.038 539 S CB -0.932 61.980 63.200 -0.479 0.000 0.872 539 S HN 0.515 nan 8.310 nan 0.000 0.456 540 G N 2.035 110.717 108.800 -0.196 0.000 2.514 540 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.217 540 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.217 540 G C 1.405 176.187 174.900 -0.197 0.000 1.198 540 G CA 1.222 46.246 45.100 -0.126 0.000 0.780 540 G HN 0.462 nan 8.290 nan 0.000 0.565 541 K N -0.302 120.017 120.400 -0.136 0.000 2.020 541 K HA -0.004 4.315 4.320 -0.002 0.000 0.212 541 K C 2.456 178.957 176.600 -0.165 0.000 1.050 541 K CA 1.148 57.364 56.287 -0.118 0.000 0.929 541 K CB -0.447 32.005 32.500 -0.080 0.000 0.714 541 K HN 0.218 nan 8.250 nan 0.000 0.443 542 L N 1.100 122.211 121.223 -0.187 0.000 2.042 542 L HA -0.219 4.120 4.340 -0.002 0.000 0.210 542 L C 1.677 178.396 176.870 -0.251 0.000 1.076 542 L CA 1.712 56.443 54.840 -0.182 0.000 0.749 542 L CB -0.156 41.809 42.059 -0.156 0.000 0.893 542 L HN 0.262 nan 8.230 nan 0.000 0.432 543 R N -0.400 119.840 120.500 -0.433 0.000 2.335 543 R HA 0.158 4.497 4.340 -0.002 0.000 0.223 543 R C 1.029 177.010 176.300 -0.532 0.000 0.940 543 R CA 0.567 56.322 56.100 -0.575 0.000 1.086 543 R CB -0.138 29.573 30.300 -0.982 0.000 1.073 543 R HN 0.461 nan 8.270 nan 0.000 0.504 544 G N 1.291 109.892 108.800 -0.333 0.000 2.273 544 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.280 544 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.280 544 G C 0.376 175.269 174.900 -0.012 0.000 1.047 544 G CA 0.092 45.104 45.100 -0.147 0.000 0.869 544 G HN 0.500 nan 8.290 nan 0.000 0.502 545 F N -0.749 119.125 119.950 -0.126 0.000 2.387 545 F HA 0.334 4.860 4.527 -0.002 0.000 0.294 545 F C 1.427 177.158 175.800 -0.116 0.000 1.093 545 F CA 0.148 58.053 58.000 -0.157 0.000 1.420 545 F CB 0.162 39.033 39.000 -0.215 0.000 1.086 545 F HN 0.122 nan 8.300 nan 0.000 0.531 546 L N 0.124 121.394 121.223 0.078 0.000 2.422 546 L HA 0.635 4.974 4.340 -0.002 0.000 0.264 546 L C -0.669 176.197 176.870 -0.006 0.000 0.984 546 L CA -1.131 53.724 54.840 0.025 0.000 0.819 546 L CB 1.842 43.910 42.059 0.016 0.000 1.330 546 L HN -0.244 nan 8.230 nan 0.000 0.410 547 R N 0.846 121.342 120.500 -0.007 0.000 2.803 547 R HA 0.587 4.925 4.340 -0.002 0.000 0.276 547 R C -0.814 175.479 176.300 -0.012 0.000 0.978 547 R CA -1.066 55.026 56.100 -0.013 0.000 0.939 547 R CB 2.529 32.824 30.300 -0.008 0.000 1.179 547 R HN 0.446 nan 8.270 nan 0.000 0.472 548 V N 1.341 121.248 119.914 -0.013 0.000 2.872 548 V HA 0.051 4.170 4.120 -0.002 0.000 0.302 548 V C 1.676 177.765 176.094 -0.008 0.000 1.166 548 V CA 1.415 63.708 62.300 -0.010 0.000 1.298 548 V CB 0.001 31.819 31.823 -0.010 0.000 0.894 548 V HN 1.077 nan 8.190 nan 0.000 0.509 549 G N 2.577 111.373 108.800 -0.007 0.000 2.253 549 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.251 549 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.251 549 G C -0.077 174.819 174.900 -0.006 0.000 0.998 549 G CA 0.239 45.336 45.100 -0.005 0.000 0.621 549 G HN 0.801 nan 8.290 nan 0.000 0.524 550 D N 0.412 120.807 120.400 -0.008 0.000 2.400 550 D HA 0.510 5.148 4.640 -0.002 0.000 0.238 550 D C 1.022 177.314 176.300 -0.012 0.000 1.157 550 D CA 0.115 54.108 54.000 -0.010 0.000 0.889 550 D CB 0.679 41.471 40.800 -0.012 0.000 1.199 550 D HN 0.341 nan 8.370 nan 0.000 0.436 551 L N 0.916 122.130 121.223 -0.015 0.000 2.334 551 L HA 0.597 4.935 4.340 -0.002 0.000 0.275 551 L C -0.247 176.608 176.870 -0.025 0.000 1.036 551 L CA -0.833 53.997 54.840 -0.017 0.000 0.807 551 L CB 1.669 43.719 42.059 -0.015 0.000 1.231 551 L HN 0.043 nan 8.230 nan 0.000 0.438 552 V N 3.341 123.241 119.914 -0.023 0.000 2.925 552 V HA 0.486 4.605 4.120 -0.002 0.000 0.311 552 V C -0.755 175.322 176.094 -0.027 0.000 1.104 552 V CA -0.621 61.661 62.300 -0.029 0.000 0.954 552 V CB 2.714 34.525 31.823 -0.021 0.000 1.022 552 V HN 0.381 nan 8.190 nan 0.000 0.427 553 I N 5.471 126.020 120.570 -0.035 0.000 2.336 553 I HA 0.463 4.632 4.170 -0.002 0.000 0.292 553 I C -0.173 175.933 176.117 -0.019 0.000 0.991 553 I CA -0.496 60.788 61.300 -0.027 0.000 1.227 553 I CB 1.455 39.432 38.000 -0.040 0.000 1.366 553 I HN 0.197 nan 8.210 nan 0.000 0.466 554 V N 7.166 127.074 119.914 -0.010 0.000 2.417 554 V HA 0.431 4.549 4.120 -0.002 0.000 0.291 554 V C 0.056 176.153 176.094 0.004 0.000 1.024 554 V CA -0.716 61.580 62.300 -0.006 0.000 0.861 554 V CB 2.301 34.117 31.823 -0.012 0.000 0.985 554 V HN 0.435 nan 8.190 nan 0.000 0.436 555 V N 5.085 125.004 119.914 0.010 0.000 2.384 555 V HA 0.705 4.823 4.120 -0.002 0.000 0.287 555 V C 0.406 176.519 176.094 0.031 0.000 1.020 555 V CA -0.028 62.288 62.300 0.027 0.000 0.850 555 V CB 1.703 33.545 31.823 0.033 0.000 0.987 555 V HN 1.104 nan 8.190 nan 0.000 0.436 556 T N 1.912 116.495 114.554 0.048 0.000 2.604 556 T HA 0.911 5.260 4.350 -0.002 0.000 0.267 556 T C -0.024 174.752 174.700 0.126 0.000 0.923 556 T CA -0.288 61.846 62.100 0.057 0.000 1.077 556 T CB 1.917 70.787 68.868 0.004 0.000 1.392 556 T HN 0.917 nan 8.240 nan 0.000 0.531 557 G N -1.048 107.858 108.800 0.177 0.000 2.680 557 G HA2 0.486 4.444 3.960 -0.002 0.000 0.290 557 G HA3 0.486 4.444 3.960 -0.002 0.000 0.290 557 G C 0.226 175.360 174.900 0.390 0.000 1.355 557 G CA -0.490 44.771 45.100 0.269 0.000 0.903 557 G HN 0.936 nan 8.290 nan 0.000 0.474 558 W N 0.409 121.849 121.300 0.233 0.000 2.584 558 W HA 0.220 4.879 4.660 -0.002 0.000 0.264 558 W C 0.255 176.850 176.519 0.127 0.000 1.264 558 W CA 0.333 57.795 57.345 0.196 0.000 1.306 558 W CB -0.294 29.220 29.460 0.090 0.000 1.110 558 W HN 0.542 nan 8.180 nan 0.000 0.606 559 R N -0.666 119.448 120.500 -0.643 0.000 2.734 559 R HA 0.611 4.950 4.340 -0.002 0.000 0.271 559 R C -3.254 172.471 176.300 -0.959 0.000 1.021 559 R CA -1.962 53.442 56.100 -1.160 0.000 0.893 559 R CB 0.021 29.403 30.300 -1.531 0.000 1.244 559 R HN -0.382 nan 8.270 nan 0.000 0.464 560 P HA 0.438 nan 4.420 nan 0.000 0.273 560 P C -0.274 176.845 177.300 -0.303 0.000 1.250 560 P CA 0.613 63.380 63.100 -0.556 0.000 0.793 560 P CB 0.558 31.823 31.700 -0.725 0.000 1.011 561 G N -0.387 108.365 108.800 -0.079 0.000 2.730 561 G HA2 0.066 4.024 3.960 -0.002 0.000 0.686 561 G HA3 0.066 4.024 3.960 -0.002 0.000 0.686 561 G C -0.167 174.793 174.900 0.099 0.000 1.343 561 G CA -0.241 44.863 45.100 0.007 0.000 0.826 561 G HN 0.749 nan 8.290 nan 0.000 0.582 562 S N -0.160 115.581 115.700 0.069 0.000 2.632 562 S HA 0.740 5.209 4.470 -0.002 0.000 0.267 562 S C 1.591 176.149 174.600 -0.070 0.000 1.276 562 S CA 1.051 59.269 58.200 0.029 0.000 0.998 562 S CB 1.529 64.726 63.200 -0.005 0.000 0.953 562 S HN 2.921 nan 8.310 nan 0.000 0.547 563 G N 0.583 109.304 108.800 -0.132 0.000 2.176 563 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.232 563 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.232 563 G C 0.010 174.641 174.900 -0.449 0.000 0.986 563 G CA 0.412 45.316 45.100 -0.327 0.000 0.643 563 G HN 0.845 nan 8.290 nan 0.000 0.522 564 Y N 1.158 121.455 120.300 -0.005 0.000 2.682 564 Y HA 0.381 4.930 4.550 -0.002 0.000 0.251 564 Y C 1.429 177.389 175.900 0.100 0.000 1.172 564 Y CA -0.045 58.069 58.100 0.024 0.000 1.186 564 Y CB 0.514 38.806 38.460 -0.279 0.000 1.216 564 Y HN 0.138 nan 8.280 nan 0.000 0.540 565 T N 3.334 117.999 114.554 0.185 0.000 2.933 565 T HA -0.038 4.310 4.350 -0.002 0.000 0.306 565 T C 0.910 175.743 174.700 0.222 0.000 1.045 565 T CA 0.770 62.977 62.100 0.179 0.000 1.143 565 T CB 0.097 69.033 68.868 0.114 0.000 1.003 565 T HN 0.671 nan 8.240 nan 0.000 0.540 566 N N 1.672 120.510 118.700 0.230 0.000 2.066 566 N HA 0.034 4.772 4.740 -0.002 0.000 0.223 566 N C -0.847 174.759 175.510 0.159 0.000 1.403 566 N CA -0.193 52.982 53.050 0.209 0.000 0.766 566 N CB -0.204 38.455 38.487 0.286 0.000 1.207 566 N HN 0.519 nan 8.380 nan 0.000 0.545 567 I N 1.271 121.925 120.570 0.140 0.000 2.582 567 I HA 0.499 4.668 4.170 -0.002 0.000 0.292 567 I C -0.667 175.492 176.117 0.070 0.000 1.066 567 I CA -0.657 60.705 61.300 0.103 0.000 1.053 567 I CB 2.349 40.417 38.000 0.113 0.000 1.241 567 I HN -0.004 nan 8.210 nan 0.000 0.421 568 M N 5.995 125.626 119.600 0.051 0.000 2.327 568 M HA 0.571 5.050 4.480 -0.002 0.000 0.298 568 M C -1.653 174.662 176.300 0.024 0.000 1.065 568 M CA -0.376 54.944 55.300 0.034 0.000 0.916 568 M CB 2.246 34.865 32.600 0.031 0.000 1.630 568 M HN 0.654 nan 8.290 nan 0.000 0.442 569 R N 2.609 123.117 120.500 0.014 0.000 2.686 569 R HA 0.699 5.037 4.340 -0.002 0.000 0.283 569 R C -1.437 174.864 176.300 0.001 0.000 0.978 569 R CA -0.899 55.206 56.100 0.008 0.000 0.897 569 R CB 2.798 33.101 30.300 0.005 0.000 1.192 569 R HN 0.504 nan 8.270 nan 0.000 0.457 570 V N 4.817 124.731 119.914 0.001 0.000 2.370 570 V HA 0.453 4.572 4.120 -0.002 0.000 0.279 570 V C -0.201 175.890 176.094 -0.004 0.000 1.029 570 V CA -0.465 61.833 62.300 -0.003 0.000 0.870 570 V CB 1.176 32.999 31.823 -0.001 0.000 0.984 570 V HN 0.494 nan 8.190 nan 0.000 0.451 571 L N 4.084 125.302 121.223 -0.008 0.000 2.371 571 L HA 0.692 5.031 4.340 -0.002 0.000 0.262 571 L C 0.065 176.930 176.870 -0.009 0.000 1.006 571 L CA -0.572 54.263 54.840 -0.008 0.000 0.818 571 L CB 2.598 44.651 42.059 -0.010 0.000 1.354 571 L HN 0.683 nan 8.230 nan 0.000 0.415 572 S N 1.241 116.936 115.700 -0.007 0.000 2.525 572 S HA 0.688 5.157 4.470 -0.002 0.000 0.290 572 S C -0.257 174.338 174.600 -0.008 0.000 1.152 572 S CA -0.826 57.370 58.200 -0.008 0.000 1.072 572 S CB 1.614 64.811 63.200 -0.005 0.000 1.027 572 S HN 0.323 nan 8.310 nan 0.000 0.500 573 I N 0.000 120.564 120.570 -0.009 0.000 2.984 573 I HA 0.000 4.169 4.170 -0.002 0.000 0.288 573 I CA 0.000 61.294 61.300 -0.010 0.000 1.566 573 I CB 0.000 37.993 38.000 -0.012 0.000 1.214 573 I HN 0.000 nan 8.210 nan 0.000 0.494