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 3giq_1_A DATA FIRST_RESID 5 DATA SEQUENCE EKLDFKITGG WIIDGTGAPR RRADLGVRDG RIAAIGELGA HPARHAWDAS DATA SEQUENCE GKIVAPGFID VHGHDDLMFV EKPDLRWKTS QGITTVVVGN CGVSAAPAPL DATA SEQUENCE PGNTAAALAL LGETPLFADV PAYFAALDAQ RPMINVAALV GHANLRLAAM DATA SEQUENCE RDPQAAPTAA EQQAMQDMLQ AALEAGAVGF STGLAYQPGA VAQAAELEGL DATA SEQUENCE ARVAAERRRL HTSHIRNEAD GVEAAVEEVL AIGRGTGCAT VVSHHKCMMP DATA SEQUENCE QNWGRSRATL ANIDRAREQG VEVALDIYPY PGSSTILIPE RAETIDDIRI DATA SEQUENCE TWSTPHPECS GEYLADIAAR WGCDKTTAAR RLAPAGAIYF AMDEDEVKRI DATA SEQUENCE FQHPCCMVGS DGLPNDARPH PRLWGSFTRV LGRYVREARL MTLEQAVARM DATA SEQUENCE TALPARVFGF AERGVLQPGA WADVVVFDPD TVADRATWDE PTLASVGIAG DATA SEQUENCE VLVNGAEVFP QPPADGRPGQ VLRA 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.595 176.600 -0.009 0.000 1.382 5 E CA 0.000 56.391 56.400 -0.015 0.000 0.976 5 E CB 0.000 29.692 29.700 -0.014 0.000 0.812 6 K N 1.925 122.313 120.400 -0.020 0.000 2.401 6 K HA 0.179 4.499 4.320 -0.001 0.000 0.278 6 K C -0.618 175.973 176.600 -0.015 0.000 1.018 6 K CA -0.350 55.924 56.287 -0.022 0.000 0.981 6 K CB 0.389 32.862 32.500 -0.044 0.000 0.933 6 K HN 0.218 nan 8.250 nan 0.000 0.477 7 L N 3.887 125.108 121.223 -0.004 0.000 2.417 7 L HA 0.049 4.388 4.340 -0.001 0.000 0.268 7 L C 1.133 177.991 176.870 -0.020 0.000 1.158 7 L CA 0.439 55.281 54.840 0.003 0.000 0.819 7 L CB 0.884 42.956 42.059 0.022 0.000 1.112 7 L HN 0.742 nan 8.230 nan 0.000 0.458 8 D N 0.998 121.406 120.400 0.014 0.000 2.194 8 D HA 0.020 4.660 4.640 -0.001 0.000 0.204 8 D C -0.071 176.262 176.300 0.056 0.000 0.964 8 D CA 1.403 55.420 54.000 0.028 0.000 0.846 8 D CB 0.306 41.161 40.800 0.091 0.000 0.962 8 D HN 0.289 nan 8.370 nan 0.000 0.490 9 F N -0.364 119.551 119.950 -0.057 0.000 2.641 9 F HA 0.251 4.778 4.527 -0.001 0.000 0.308 9 F C -1.231 174.509 175.800 -0.100 0.000 1.105 9 F CA -1.093 56.847 58.000 -0.100 0.000 0.964 9 F CB 1.967 40.854 39.000 -0.189 0.000 1.294 9 F HN -0.384 nan 8.300 nan 0.000 0.442 10 K N 4.387 124.926 120.400 0.232 0.000 2.525 10 K HA 0.702 5.022 4.320 -0.001 0.000 0.254 10 K C -2.116 174.609 176.600 0.208 0.000 0.934 10 K CA -0.740 55.634 56.287 0.145 0.000 0.802 10 K CB 2.412 34.944 32.500 0.053 0.000 1.295 10 K HN 0.597 nan 8.250 nan 0.000 0.433 11 I N 3.312 123.979 120.570 0.162 0.000 2.420 11 I HA 0.219 4.388 4.170 -0.001 0.000 0.282 11 I C -0.337 175.852 176.117 0.120 0.000 1.019 11 I CA -0.612 60.816 61.300 0.213 0.000 1.130 11 I CB 1.913 40.039 38.000 0.211 0.000 1.262 11 I HN 0.863 nan 8.210 nan 0.000 0.454 12 T N 0.750 115.375 114.554 0.119 0.000 2.950 12 T HA 0.671 5.021 4.350 -0.001 0.000 0.288 12 T C 0.996 175.721 174.700 0.042 0.000 1.035 12 T CA 0.042 62.174 62.100 0.053 0.000 1.028 12 T CB 1.916 70.809 68.868 0.042 0.000 1.109 12 T HN 0.921 nan 8.240 nan 0.000 0.514 13 G N 0.084 108.879 108.800 -0.009 0.000 2.184 13 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.264 13 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.264 13 G C 0.520 175.406 174.900 -0.024 0.000 0.975 13 G CA 0.280 45.369 45.100 -0.019 0.000 0.642 13 G HN 1.328 nan 8.290 nan 0.000 0.536 14 G N -1.624 107.165 108.800 -0.018 0.000 2.557 14 G HA2 0.521 4.480 3.960 -0.001 0.000 0.302 14 G HA3 0.521 4.480 3.960 -0.001 0.000 0.302 14 G C -0.723 174.134 174.900 -0.071 0.000 1.311 14 G CA -0.904 44.215 45.100 0.032 0.000 1.030 14 G HN 0.279 nan 8.290 nan 0.000 0.509 15 W N -0.197 121.079 121.300 -0.040 0.000 2.429 15 W HA 0.559 5.219 4.660 -0.000 0.000 0.314 15 W C 0.035 176.532 176.519 -0.038 0.000 1.062 15 W CA -0.537 56.788 57.345 -0.034 0.000 1.211 15 W CB 1.260 30.697 29.460 -0.039 0.000 1.305 15 W HN 0.107 nan 8.180 nan 0.000 0.476 16 I N 5.166 125.819 120.570 0.138 0.000 2.395 16 I HA 0.264 4.434 4.170 -0.001 0.000 0.289 16 I C -0.011 176.190 176.117 0.141 0.000 1.023 16 I CA -0.548 60.814 61.300 0.102 0.000 1.350 16 I CB 0.692 38.718 38.000 0.045 0.000 1.409 16 I HN 0.220 nan 8.210 nan 0.000 0.507 17 I N 6.077 126.727 120.570 0.134 0.000 2.464 17 I HA 0.093 4.263 4.170 -0.001 0.000 0.277 17 I C 0.177 176.382 176.117 0.147 0.000 1.040 17 I CA -0.457 60.935 61.300 0.152 0.000 1.153 17 I CB 1.156 39.267 38.000 0.185 0.000 1.274 17 I HN 0.604 nan 8.210 nan 0.000 0.469 18 D N 3.711 124.182 120.400 0.118 0.000 2.363 18 D HA 0.024 4.664 4.640 -0.001 0.000 0.226 18 D C 1.441 177.811 176.300 0.117 0.000 1.020 18 D CA 0.770 54.832 54.000 0.104 0.000 0.892 18 D CB 0.348 41.193 40.800 0.075 0.000 0.900 18 D HN 0.724 nan 8.370 nan 0.000 0.531 19 G N -0.187 108.696 108.800 0.137 0.000 2.195 19 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.246 19 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.246 19 G C 1.222 176.189 174.900 0.111 0.000 0.984 19 G CA 0.825 46.010 45.100 0.142 0.000 0.633 19 G HN 0.622 nan 8.290 nan 0.000 0.525 20 T N -1.782 112.827 114.554 0.092 0.000 3.088 20 T HA 0.411 4.761 4.350 -0.001 0.000 0.259 20 T C 2.488 177.227 174.700 0.064 0.000 1.122 20 T CA 1.859 64.002 62.100 0.072 0.000 1.095 20 T CB 0.162 69.066 68.868 0.059 0.000 0.930 20 T HN 2.270 nan 8.240 nan 0.000 0.508 21 G N 1.062 109.906 108.800 0.075 0.000 2.194 21 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.236 21 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.236 21 G C 0.335 175.271 174.900 0.060 0.000 0.987 21 G CA -0.107 45.031 45.100 0.063 0.000 0.635 21 G HN 1.158 nan 8.290 nan 0.000 0.520 22 A N 1.558 124.416 122.820 0.064 0.000 2.445 22 A HA 0.638 4.957 4.320 -0.001 0.000 0.242 22 A C -0.962 176.667 177.584 0.076 0.000 1.075 22 A CA -0.278 51.796 52.037 0.061 0.000 0.777 22 A CB 0.088 19.123 19.000 0.059 0.000 1.013 22 A HN 0.338 nan 8.150 nan 0.000 0.493 23 P HA 0.066 nan 4.420 nan 0.000 0.266 23 P C -0.294 177.085 177.300 0.131 0.000 1.195 23 P CA -0.072 63.081 63.100 0.088 0.000 0.768 23 P CB 0.341 32.087 31.700 0.077 0.000 0.838 24 R N 3.499 124.091 120.500 0.154 0.000 2.697 24 R HA 0.144 4.484 4.340 -0.001 0.000 0.265 24 R C 0.248 176.800 176.300 0.420 0.000 1.009 24 R CA -0.074 56.179 56.100 0.256 0.000 1.099 24 R CB 0.229 30.669 30.300 0.233 0.000 0.965 24 R HN 0.596 nan 8.270 nan 0.000 0.428 25 R N 1.529 122.255 120.500 0.377 0.000 2.651 25 R HA 0.342 4.682 4.340 -0.001 0.000 0.278 25 R C -1.221 174.943 176.300 -0.226 0.000 1.010 25 R CA -1.333 54.871 56.100 0.174 0.000 0.896 25 R CB 1.208 31.543 30.300 0.059 0.000 1.211 25 R HN 0.615 nan 8.270 nan 0.000 0.456 26 R N 2.247 122.231 120.500 -0.861 0.000 2.351 26 R HA 0.492 4.832 4.340 -0.001 0.000 0.318 26 R C -1.325 174.695 176.300 -0.467 0.000 1.055 26 R CA 0.625 56.089 56.100 -1.060 0.000 0.968 26 R CB 0.305 29.863 30.300 -1.236 0.000 0.974 26 R HN 0.854 nan 8.270 nan 0.000 0.439 27 A N 3.790 126.412 122.820 -0.329 0.000 2.597 27 A HA 0.422 4.742 4.320 -0.001 0.000 0.292 27 A C -1.716 175.789 177.584 -0.132 0.000 1.057 27 A CA -1.033 50.892 52.037 -0.188 0.000 0.674 27 A CB 1.197 20.119 19.000 -0.129 0.000 1.278 27 A HN 0.668 nan 8.150 nan 0.000 0.416 28 D N 0.160 120.497 120.400 -0.104 0.000 2.332 28 D HA 0.577 5.217 4.640 -0.001 0.000 0.252 28 D C -0.711 175.555 176.300 -0.058 0.000 1.050 28 D CA -0.030 53.928 54.000 -0.069 0.000 0.970 28 D CB 2.044 42.800 40.800 -0.075 0.000 1.141 28 D HN 0.518 nan 8.370 nan 0.000 0.485 29 L N -0.002 121.205 121.223 -0.026 0.000 2.385 29 L HA 0.655 4.994 4.340 -0.001 0.000 0.273 29 L C -0.345 176.516 176.870 -0.016 0.000 0.990 29 L CA -0.390 54.436 54.840 -0.024 0.000 0.821 29 L CB 1.712 43.769 42.059 -0.004 0.000 1.279 29 L HN 0.414 nan 8.230 nan 0.000 0.412 30 G N 3.912 112.692 108.800 -0.033 0.000 2.416 30 G HA2 0.630 4.590 3.960 -0.001 0.000 0.329 30 G HA3 0.630 4.590 3.960 -0.001 0.000 0.329 30 G C -1.556 173.339 174.900 -0.009 0.000 1.173 30 G CA -0.448 44.642 45.100 -0.017 0.000 0.929 30 G HN 0.451 nan 8.290 nan 0.000 0.475 31 V N 1.280 121.208 119.914 0.023 0.000 2.680 31 V HA 0.790 4.910 4.120 -0.001 0.000 0.309 31 V C -0.089 176.021 176.094 0.027 0.000 1.052 31 V CA -0.929 61.380 62.300 0.014 0.000 0.908 31 V CB 1.949 33.779 31.823 0.012 0.000 1.001 31 V HN 0.917 nan 8.190 nan 0.000 0.431 32 R N 2.567 123.068 120.500 0.001 0.000 2.515 32 R HA 0.447 4.787 4.340 -0.001 0.000 0.278 32 R C -0.980 175.312 176.300 -0.013 0.000 1.107 32 R CA -0.264 55.836 56.100 0.000 0.000 0.945 32 R CB 1.128 31.420 30.300 -0.013 0.000 1.219 32 R HN 0.746 nan 8.270 nan 0.000 0.434 33 D N 3.800 124.205 120.400 0.008 0.000 2.708 33 D HA -0.188 4.452 4.640 -0.001 0.000 0.236 33 D C 0.670 176.990 176.300 0.034 0.000 1.146 33 D CA 2.053 56.061 54.000 0.014 0.000 0.662 33 D CB -1.033 39.757 40.800 -0.016 0.000 1.059 33 D HN 1.105 nan 8.370 nan 0.000 0.428 34 G N -0.617 108.225 108.800 0.070 0.000 2.212 34 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.266 34 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.266 34 G C 0.458 175.425 174.900 0.112 0.000 0.978 34 G CA 0.845 46.041 45.100 0.160 0.000 0.632 34 G HN 0.576 nan 8.290 nan 0.000 0.537 35 R N -0.814 119.648 120.500 -0.063 0.000 2.892 35 R HA 0.684 5.024 4.340 -0.001 0.000 0.265 35 R C 0.119 176.362 176.300 -0.094 0.000 1.025 35 R CA -1.155 54.850 56.100 -0.158 0.000 0.982 35 R CB 1.281 31.369 30.300 -0.353 0.000 1.185 35 R HN 0.153 nan 8.270 nan 0.000 0.484 36 I N 2.218 122.732 120.570 -0.093 0.000 2.421 36 I HA -0.001 4.169 4.170 -0.001 0.000 0.291 36 I C 1.132 177.206 176.117 -0.071 0.000 1.089 36 I CA 0.241 61.503 61.300 -0.063 0.000 1.354 36 I CB 1.236 39.207 38.000 -0.048 0.000 1.413 36 I HN 0.821 nan 8.210 nan 0.000 0.513 37 A N 5.705 128.491 122.820 -0.055 0.000 1.975 37 A HA 0.526 4.846 4.320 -0.001 0.000 0.215 37 A C 1.007 178.564 177.584 -0.047 0.000 1.170 37 A CA 1.101 53.108 52.037 -0.051 0.000 0.656 37 A CB 0.114 19.093 19.000 -0.034 0.000 0.821 37 A HN 0.778 nan 8.150 nan 0.000 0.449 38 A N -1.517 121.274 122.820 -0.050 0.000 2.597 38 A HA 0.648 4.968 4.320 -0.001 0.000 0.292 38 A C -1.489 176.056 177.584 -0.065 0.000 1.057 38 A CA -0.434 51.569 52.037 -0.057 0.000 0.674 38 A CB 0.505 19.466 19.000 -0.066 0.000 1.278 38 A HN 0.286 nan 8.150 nan 0.000 0.416 39 I N 0.905 121.436 120.570 -0.064 0.000 2.512 39 I HA 0.675 4.844 4.170 -0.001 0.000 0.287 39 I C 0.586 176.657 176.117 -0.077 0.000 1.069 39 I CA 0.266 61.528 61.300 -0.064 0.000 1.056 39 I CB 2.046 40.022 38.000 -0.041 0.000 1.229 39 I HN 1.368 nan 8.210 nan 0.000 0.429 40 G N 4.986 113.727 108.800 -0.098 0.000 2.534 40 G HA2 0.041 4.001 3.960 -0.001 0.000 0.142 40 G HA3 0.041 4.001 3.960 -0.001 0.000 0.142 40 G C -1.487 173.338 174.900 -0.123 0.000 1.178 40 G CA -0.578 44.462 45.100 -0.101 0.000 1.037 40 G HN 0.471 nan 8.290 nan 0.000 0.474 41 E N 0.926 121.053 120.200 -0.121 0.000 2.089 41 E HA 0.643 4.992 4.350 -0.001 0.000 0.284 41 E C 0.371 176.851 176.600 -0.200 0.000 1.023 41 E CA -0.245 56.089 56.400 -0.109 0.000 0.819 41 E CB 0.470 30.140 29.700 -0.049 0.000 1.076 41 E HN 0.387 nan 8.360 nan 0.000 0.396 42 L N 3.754 124.859 121.223 -0.197 0.000 3.267 42 L HA 0.360 4.699 4.340 -0.001 0.000 0.289 42 L C 1.620 178.489 176.870 -0.001 0.000 1.260 42 L CA -0.034 54.629 54.840 -0.295 0.000 1.034 42 L CB 0.743 42.616 42.059 -0.309 0.000 1.413 42 L HN 0.723 nan 8.230 nan 0.000 0.594 43 G N 0.795 109.614 108.800 0.033 0.000 2.440 43 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.218 43 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.218 43 G C 1.367 176.318 174.900 0.085 0.000 1.154 43 G CA 1.009 46.139 45.100 0.050 0.000 0.767 43 G HN 0.452 nan 8.290 nan 0.000 0.552 44 A N -0.463 122.443 122.820 0.143 0.000 2.345 44 A HA 0.403 4.722 4.320 -0.001 0.000 0.225 44 A C 0.170 177.798 177.584 0.075 0.000 1.243 44 A CA -0.367 51.722 52.037 0.087 0.000 0.875 44 A CB -0.112 18.910 19.000 0.036 0.000 0.929 44 A HN 0.368 nan 8.150 nan 0.000 0.502 45 H N 0.903 119.960 119.070 -0.021 0.000 2.620 45 H HA 0.396 4.951 4.556 -0.001 0.000 0.313 45 H C -2.546 172.762 175.328 -0.033 0.000 1.075 45 H CA -1.767 54.266 56.048 -0.025 0.000 1.397 45 H CB 0.248 29.997 29.762 -0.022 0.000 1.446 45 H HN 0.136 nan 8.280 nan 0.000 0.493 46 P HA 0.295 nan 4.420 nan 0.000 0.268 46 P C -1.101 176.190 177.300 -0.014 0.000 1.205 46 P CA -0.035 63.057 63.100 -0.013 0.000 0.771 46 P CB 0.974 32.649 31.700 -0.041 0.000 0.858 47 A N 2.856 125.641 122.820 -0.059 0.000 2.520 47 A HA 0.390 4.709 4.320 -0.001 0.000 0.298 47 A C 0.830 178.292 177.584 -0.204 0.000 1.051 47 A CA -0.676 51.300 52.037 -0.103 0.000 0.690 47 A CB 1.361 20.311 19.000 -0.083 0.000 1.281 47 A HN 0.425 nan 8.150 nan 0.000 0.402 48 R N 0.299 120.626 120.500 -0.288 0.000 2.092 48 R HA 0.002 4.341 4.340 -0.001 0.000 0.231 48 R C -0.186 175.623 176.300 -0.820 0.000 1.119 48 R CA 1.141 56.935 56.100 -0.509 0.000 0.970 48 R CB -0.072 29.905 30.300 -0.538 0.000 0.864 48 R HN 0.743 nan 8.270 nan 0.000 0.440 49 H N -1.532 117.231 119.070 -0.512 0.000 2.717 49 H HA 0.596 5.152 4.556 -0.001 0.000 0.366 49 H C -1.106 173.722 175.328 -0.834 0.000 1.132 49 H CA -0.865 54.667 56.048 -0.860 0.000 1.180 49 H CB 2.172 30.918 29.762 -1.693 0.000 1.678 49 H HN 0.122 nan 8.280 nan 0.000 0.537 50 A N 2.229 124.835 122.820 -0.358 0.000 2.422 50 A HA 0.535 4.855 4.320 -0.001 0.000 0.302 50 A C -1.825 175.912 177.584 0.255 0.000 1.041 50 A CA -0.733 51.266 52.037 -0.064 0.000 0.708 50 A CB 1.551 20.552 19.000 0.002 0.000 1.257 50 A HN 0.439 nan 8.150 nan 0.000 0.414 51 W N 1.134 122.549 121.300 0.191 0.000 2.587 51 W HA 0.459 5.120 4.660 0.000 0.000 0.324 51 W C -0.801 175.782 176.519 0.106 0.000 1.040 51 W CA -0.904 56.549 57.345 0.180 0.000 1.222 51 W CB 1.872 31.482 29.460 0.251 0.000 1.381 51 W HN 0.755 nan 8.180 nan 0.000 0.483 52 D N 1.995 122.552 120.400 0.262 0.000 2.380 52 D HA 0.408 5.048 4.640 -0.001 0.000 0.230 52 D C 0.423 176.790 176.300 0.110 0.000 1.154 52 D CA -0.056 54.033 54.000 0.148 0.000 0.859 52 D CB 1.046 41.903 40.800 0.095 0.000 1.045 52 D HN 0.343 nan 8.370 nan 0.000 0.495 53 A N 3.128 126.018 122.820 0.116 0.000 2.462 53 A HA 0.205 4.524 4.320 -0.001 0.000 0.261 53 A C 0.748 178.374 177.584 0.070 0.000 1.323 53 A CA -0.450 51.636 52.037 0.083 0.000 0.913 53 A CB -0.221 18.838 19.000 0.099 0.000 1.028 53 A HN 0.427 nan 8.150 nan 0.000 0.511 54 S N 0.072 115.813 115.700 0.067 0.000 2.563 54 S HA 0.365 4.835 4.470 -0.001 0.000 0.294 54 S C 1.473 176.124 174.600 0.084 0.000 1.279 54 S CA 0.973 59.219 58.200 0.077 0.000 1.069 54 S CB 0.348 63.586 63.200 0.062 0.000 0.828 54 S HN 1.618 nan 8.310 nan 0.000 0.497 55 G N 2.299 111.177 108.800 0.128 0.000 2.148 55 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.254 55 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.254 55 G C -0.071 174.863 174.900 0.057 0.000 0.981 55 G CA 0.220 45.379 45.100 0.098 0.000 0.670 55 G HN 0.531 nan 8.290 nan 0.000 0.528 56 K N -0.489 119.949 120.400 0.063 0.000 2.378 56 K HA 0.744 5.064 4.320 -0.001 0.000 0.244 56 K C -0.129 176.432 176.600 -0.065 0.000 1.039 56 K CA -1.102 55.164 56.287 -0.035 0.000 0.863 56 K CB 1.563 34.040 32.500 -0.038 0.000 1.326 56 K HN 0.035 nan 8.250 nan 0.000 0.460 57 I N 1.638 122.013 120.570 -0.325 0.000 2.392 57 I HA 0.272 4.442 4.170 -0.001 0.000 0.295 57 I C -0.242 175.705 176.117 -0.284 0.000 0.985 57 I CA -0.914 60.162 61.300 -0.373 0.000 1.221 57 I CB 1.596 39.081 38.000 -0.858 0.000 1.366 57 I HN 0.134 nan 8.210 nan 0.000 0.467 58 V N 5.694 125.568 119.914 -0.066 0.000 2.357 58 V HA 0.776 4.896 4.120 -0.001 0.000 0.284 58 V C 0.287 176.421 176.094 0.066 0.000 1.018 58 V CA -0.399 61.911 62.300 0.017 0.000 0.841 58 V CB 1.222 33.073 31.823 0.047 0.000 0.991 58 V HN 0.930 nan 8.190 nan 0.000 0.437 59 A N 7.040 129.929 122.820 0.115 0.000 2.530 59 A HA 1.037 5.357 4.320 -0.001 0.000 0.288 59 A C -3.102 174.540 177.584 0.098 0.000 1.172 59 A CA -2.026 50.115 52.037 0.173 0.000 0.733 59 A CB 2.033 21.260 19.000 0.379 0.000 1.320 59 A HN 0.582 nan 8.150 nan 0.000 0.419 60 P HA 0.321 nan 4.420 nan 0.000 0.275 60 P C 0.361 177.638 177.300 -0.039 0.000 1.228 60 P CA 0.277 63.414 63.100 0.062 0.000 0.786 60 P CB 0.616 32.389 31.700 0.121 0.000 0.927 61 G N 2.122 110.849 108.800 -0.123 0.000 2.484 61 G HA2 0.167 4.127 3.960 -0.001 0.000 0.235 61 G HA3 0.167 4.127 3.960 -0.001 0.000 0.235 61 G C -0.570 174.226 174.900 -0.173 0.000 1.282 61 G CA -0.250 44.675 45.100 -0.292 0.000 0.857 61 G HN 0.232 nan 8.290 nan 0.000 0.571 62 F N 0.219 120.069 119.950 -0.168 0.000 2.429 62 F HA 0.358 4.885 4.527 -0.000 0.000 0.348 62 F C 0.977 176.601 175.800 -0.293 0.000 1.109 62 F CA -1.090 56.766 58.000 -0.240 0.000 1.232 62 F CB 0.771 39.451 39.000 -0.534 0.000 1.157 62 F HN 0.149 nan 8.300 nan 0.000 0.564 63 I N 2.621 123.246 120.570 0.092 0.000 2.328 63 I HA 0.124 4.293 4.170 -0.001 0.000 0.287 63 I C -0.362 175.833 176.117 0.131 0.000 1.012 63 I CA -0.682 60.648 61.300 0.051 0.000 1.195 63 I CB 1.088 39.183 38.000 0.159 0.000 1.350 63 I HN 0.390 nan 8.210 nan 0.000 0.464 64 D N 6.472 126.889 120.400 0.028 0.000 2.402 64 D HA 0.076 4.715 4.640 -0.001 0.000 0.235 64 D C 1.102 177.481 176.300 0.131 0.000 1.226 64 D CA -0.255 53.885 54.000 0.234 0.000 0.918 64 D CB 1.343 42.222 40.800 0.132 0.000 1.043 64 D HN 0.407 nan 8.370 nan 0.000 0.506 65 V N 2.180 122.194 119.914 0.167 0.000 3.380 65 V HA 0.055 4.175 4.120 -0.001 0.000 0.268 65 V C 0.625 176.761 176.094 0.071 0.000 1.168 65 V CA 0.780 63.078 62.300 -0.002 0.000 1.156 65 V CB -0.964 30.945 31.823 0.144 0.000 0.785 65 V HN 0.530 nan 8.190 nan 0.000 0.487 66 H N 0.421 119.533 119.070 0.071 0.000 2.348 66 H HA 0.680 5.236 4.556 -0.000 0.000 0.232 66 H C 0.397 175.713 175.328 -0.021 0.000 1.419 66 H CA 0.154 56.221 56.048 0.032 0.000 1.416 66 H CB 0.188 30.012 29.762 0.103 0.000 1.510 66 H HN 0.496 nan 8.280 nan 0.000 0.507 67 G N 0.443 109.153 108.800 -0.150 0.000 2.441 67 G HA2 0.220 4.180 3.960 -0.001 0.000 0.334 67 G HA3 0.220 4.180 3.960 -0.001 0.000 0.334 67 G C -0.401 174.335 174.900 -0.274 0.000 1.161 67 G CA -0.449 44.603 45.100 -0.079 0.000 0.935 67 G HN 0.684 nan 8.290 nan 0.000 0.488 68 H N 0.246 119.361 119.070 0.075 0.000 2.637 68 H HA 0.158 4.714 4.556 -0.000 0.000 0.245 68 H C -0.098 175.243 175.328 0.021 0.000 1.190 68 H CA -0.339 55.736 56.048 0.045 0.000 0.934 68 H CB 0.877 30.669 29.762 0.051 0.000 1.950 68 H HN 0.548 nan 8.280 nan 0.000 0.614 69 D N 0.558 121.022 120.400 0.106 0.000 2.325 69 D HA -0.032 4.608 4.640 -0.001 0.000 0.234 69 D C 0.522 176.721 176.300 -0.169 0.000 1.122 69 D CA 0.015 53.998 54.000 -0.027 0.000 0.850 69 D CB 0.415 41.196 40.800 -0.032 0.000 0.921 69 D HN 0.314 nan 8.370 nan 0.000 0.513 70 D N 1.147 121.592 120.400 0.076 0.000 2.191 70 D HA -0.196 4.444 4.640 -0.001 0.000 0.190 70 D C 1.837 178.272 176.300 0.226 0.000 1.007 70 D CA 1.133 55.264 54.000 0.219 0.000 0.865 70 D CB -0.090 40.770 40.800 0.100 0.000 0.929 70 D HN 0.315 nan 8.370 nan 0.000 0.447 71 L N -0.438 120.834 121.223 0.082 0.000 2.607 71 L HA 0.162 4.502 4.340 -0.001 0.000 0.228 71 L C 1.614 178.501 176.870 0.028 0.000 1.123 71 L CA -0.129 54.797 54.840 0.142 0.000 0.890 71 L CB -0.052 42.070 42.059 0.105 0.000 1.103 71 L HN 0.021 nan 8.230 nan 0.000 0.468 72 M N -0.419 119.069 119.600 -0.187 0.000 2.394 72 M HA -0.059 4.421 4.480 -0.001 0.000 0.264 72 M C 1.865 178.072 176.300 -0.156 0.000 1.073 72 M CA 1.434 56.642 55.300 -0.153 0.000 1.111 72 M CB -0.835 31.732 32.600 -0.055 0.000 1.401 72 M HN 0.170 nan 8.290 nan 0.000 0.448 73 F N -0.753 119.286 119.950 0.148 0.000 2.333 73 F HA -0.092 4.435 4.527 0.000 0.000 0.300 73 F C 2.454 178.307 175.800 0.088 0.000 1.083 73 F CA 0.756 58.801 58.000 0.075 0.000 1.395 73 F CB -1.138 37.880 39.000 0.030 0.000 1.056 73 F HN 0.034 nan 8.300 nan 0.000 0.529 74 V N -1.166 118.890 119.914 0.236 0.000 3.151 74 V HA 0.040 4.160 4.120 -0.001 0.000 0.241 74 V C 1.866 178.036 176.094 0.126 0.000 1.173 74 V CA 0.862 63.278 62.300 0.192 0.000 1.154 74 V CB 0.225 32.196 31.823 0.247 0.000 0.898 74 V HN 0.158 nan 8.190 nan 0.000 0.473 75 E N 0.485 120.746 120.200 0.103 0.000 2.046 75 E HA -0.023 4.326 4.350 -0.001 0.000 0.190 75 E C 0.372 177.019 176.600 0.079 0.000 0.982 75 E CA 0.749 57.190 56.400 0.067 0.000 0.800 75 E CB 0.145 29.863 29.700 0.031 0.000 0.756 75 E HN 0.409 nan 8.360 nan 0.000 0.449 76 K N 0.453 120.923 120.400 0.116 0.000 2.992 76 K HA 0.145 4.465 4.320 -0.001 0.000 0.178 76 K C -2.304 174.403 176.600 0.180 0.000 1.122 76 K CA -0.986 55.409 56.287 0.179 0.000 0.926 76 K CB 1.837 34.495 32.500 0.264 0.000 1.121 76 K HN -0.059 nan 8.250 nan 0.000 0.610 77 P HA -0.244 nan 4.420 nan 0.000 0.223 77 P C 0.517 177.819 177.300 0.003 0.000 1.144 77 P CA 1.287 64.431 63.100 0.074 0.000 0.783 77 P CB 0.225 31.973 31.700 0.079 0.000 0.771 78 D N 1.138 121.543 120.400 0.008 0.000 2.178 78 D HA -0.173 4.467 4.640 -0.001 0.000 0.201 78 D C 1.235 177.382 176.300 -0.256 0.000 0.980 78 D CA 0.476 54.448 54.000 -0.048 0.000 0.842 78 D CB -0.901 39.928 40.800 0.049 0.000 0.948 78 D HN 0.186 nan 8.370 nan 0.000 0.472 79 L N 0.002 120.872 121.223 -0.588 0.000 3.858 79 L HA -0.262 4.078 4.340 -0.001 0.000 0.425 79 L C 1.574 177.774 176.870 -1.117 0.000 1.177 79 L CA 0.034 54.033 54.840 -1.402 0.000 0.943 79 L CB -1.461 40.118 42.059 -0.800 0.000 1.861 79 L HN 0.096 nan 8.230 nan 0.000 0.985 80 R N 1.209 121.359 120.500 -0.584 0.000 2.152 80 R HA -0.163 4.177 4.340 -0.001 0.000 0.232 80 R C 1.887 177.860 176.300 -0.545 0.000 1.117 80 R CA 2.369 58.317 56.100 -0.253 0.000 0.981 80 R CB -0.312 30.091 30.300 0.171 0.000 0.870 80 R HN 0.755 nan 8.270 nan 0.000 0.451 81 W N -0.103 120.620 121.300 -0.962 0.000 2.525 81 W HA 0.043 4.703 4.660 -0.000 0.000 0.259 81 W C 1.111 177.188 176.519 -0.736 0.000 1.253 81 W CA 0.241 56.600 57.345 -1.644 0.000 1.262 81 W CB -0.043 28.360 29.460 -1.763 0.000 1.122 81 W HN -0.139 nan 8.180 nan 0.000 0.607 82 K N 0.883 120.783 120.400 -0.834 0.000 2.108 82 K HA -0.006 4.313 4.320 -0.001 0.000 0.204 82 K C 2.210 178.568 176.600 -0.402 0.000 1.036 82 K CA 2.213 58.181 56.287 -0.531 0.000 0.965 82 K CB -1.454 30.698 32.500 -0.580 0.000 0.804 82 K HN 0.307 nan 8.250 nan 0.000 0.454 83 T N 0.575 114.893 114.554 -0.393 0.000 2.759 83 T HA -0.147 4.202 4.350 -0.001 0.000 0.269 83 T C 2.132 176.539 174.700 -0.488 0.000 1.042 83 T CA 1.973 63.886 62.100 -0.312 0.000 1.140 83 T CB -0.542 68.250 68.868 -0.127 0.000 0.864 83 T HN 0.202 nan 8.240 nan 0.000 0.455 84 S N 2.058 117.512 115.700 -0.410 0.000 2.507 84 S HA -0.133 4.337 4.470 -0.001 0.000 0.235 84 S C 1.813 176.180 174.600 -0.388 0.000 0.988 84 S CA 0.772 58.656 58.200 -0.527 0.000 0.944 84 S CB -0.660 62.592 63.200 0.087 0.000 0.762 84 S HN 0.927 nan 8.310 nan 0.000 0.526 85 Q N -0.347 119.298 119.800 -0.259 0.000 2.155 85 Q HA 0.536 4.876 4.340 -0.001 0.000 0.220 85 Q C 1.022 176.978 176.000 -0.074 0.000 0.819 85 Q CA 0.064 55.811 55.803 -0.093 0.000 1.032 85 Q CB 0.102 28.873 28.738 0.056 0.000 1.151 85 Q HN 0.504 nan 8.270 nan 0.000 0.487 86 G N 1.429 110.062 108.800 -0.279 0.000 2.159 86 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.256 86 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.256 86 G C 0.045 174.669 174.900 -0.460 0.000 0.977 86 G CA 0.066 44.928 45.100 -0.396 0.000 0.652 86 G HN 0.437 nan 8.290 nan 0.000 0.531 87 I N 1.773 122.125 120.570 -0.364 0.000 2.416 87 I HA 0.342 4.512 4.170 -0.001 0.000 0.288 87 I C 1.706 177.630 176.117 -0.322 0.000 1.051 87 I CA 0.682 61.745 61.300 -0.395 0.000 1.375 87 I CB 1.342 39.084 38.000 -0.431 0.000 1.407 87 I HN 0.252 nan 8.210 nan 0.000 0.516 88 T N -0.518 113.866 114.554 -0.284 0.000 2.975 88 T HA 0.192 4.542 4.350 -0.001 0.000 0.257 88 T C 0.535 175.087 174.700 -0.247 0.000 1.003 88 T CA -0.030 61.922 62.100 -0.245 0.000 0.932 88 T CB 0.335 69.072 68.868 -0.219 0.000 1.087 88 T HN 0.520 nan 8.240 nan 0.000 0.512 89 T N 1.330 115.741 114.554 -0.239 0.000 2.933 89 T HA 0.676 5.025 4.350 -0.001 0.000 0.305 89 T C -1.770 172.812 174.700 -0.196 0.000 1.092 89 T CA -0.572 61.370 62.100 -0.264 0.000 1.008 89 T CB 2.508 71.179 68.868 -0.328 0.000 1.102 89 T HN 0.149 nan 8.240 nan 0.000 0.469 90 V N 3.135 122.947 119.914 -0.169 0.000 2.789 90 V HA 0.733 4.853 4.120 -0.001 0.000 0.311 90 V C -1.222 174.830 176.094 -0.069 0.000 1.073 90 V CA -0.568 61.687 62.300 -0.074 0.000 0.921 90 V CB 2.038 33.874 31.823 0.021 0.000 1.009 90 V HN 0.731 nan 8.190 nan 0.000 0.426 91 V N 7.428 127.294 119.914 -0.080 0.000 2.333 91 V HA 0.483 4.603 4.120 -0.001 0.000 0.274 91 V C 0.277 176.352 176.094 -0.032 0.000 1.028 91 V CA -0.042 62.205 62.300 -0.089 0.000 0.851 91 V CB 1.290 32.921 31.823 -0.320 0.000 1.000 91 V HN 0.872 nan 8.190 nan 0.000 0.456 92 V N 2.039 121.995 119.914 0.070 0.000 3.302 92 V HA 1.016 5.136 4.120 -0.001 0.000 0.316 92 V C 0.987 177.127 176.094 0.077 0.000 1.111 92 V CA -0.075 62.276 62.300 0.086 0.000 1.029 92 V CB 1.085 33.060 31.823 0.252 0.000 1.170 92 V HN 1.416 nan 8.190 nan 0.000 0.452 93 G N 0.670 109.513 108.800 0.072 0.000 2.212 93 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.255 93 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.255 93 G C -0.036 174.910 174.900 0.076 0.000 1.062 93 G CA 0.217 45.372 45.100 0.093 0.000 0.815 93 G HN 0.906 nan 8.290 nan 0.000 0.497 94 N N -1.005 117.679 118.700 -0.027 0.000 2.434 94 N HA 0.382 5.121 4.740 -0.001 0.000 0.266 94 N C 1.377 177.053 175.510 0.277 0.000 1.223 94 N CA 0.368 53.386 53.050 -0.054 0.000 0.972 94 N CB 1.050 39.138 38.487 -0.665 0.000 1.207 94 N HN 0.669 nan 8.380 nan 0.000 0.525 95 C N -0.026 119.475 119.300 0.335 0.000 4.274 95 C HA -0.146 4.314 4.460 -0.001 0.000 0.297 95 C C 1.439 176.661 174.990 0.386 0.000 1.446 95 C CA 0.572 59.887 59.018 0.495 0.000 2.016 95 C CB -2.480 25.720 27.740 0.767 0.000 1.273 95 C HN 1.113 nan 8.230 nan 0.000 0.782 96 G N -1.931 107.054 108.800 0.310 0.000 2.199 96 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.254 96 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.254 96 G C 0.005 175.022 174.900 0.194 0.000 0.982 96 G CA 0.459 45.728 45.100 0.282 0.000 0.632 96 G HN 2.173 nan 8.290 nan 0.000 0.529 97 V N -0.817 119.205 119.914 0.180 0.000 2.448 97 V HA 0.956 5.075 4.120 -0.001 0.000 0.295 97 V C 0.019 176.182 176.094 0.115 0.000 1.025 97 V CA 0.109 62.475 62.300 0.111 0.000 0.859 97 V CB 1.443 33.299 31.823 0.054 0.000 0.988 97 V HN 1.426 nan 8.190 nan 0.000 0.431 98 S N 3.181 118.918 115.700 0.062 0.000 2.697 98 S HA 0.856 5.326 4.470 -0.001 0.000 0.289 98 S C 0.869 175.437 174.600 -0.052 0.000 1.149 98 S CA -0.253 57.958 58.200 0.019 0.000 0.850 98 S CB 1.564 64.778 63.200 0.023 0.000 1.151 98 S HN 1.662 nan 8.310 nan 0.000 0.491 99 A N 0.036 122.740 122.820 -0.193 0.000 2.015 99 A HA 0.618 4.938 4.320 -0.001 0.000 0.219 99 A C 1.052 178.563 177.584 -0.120 0.000 1.163 99 A CA 1.180 53.061 52.037 -0.259 0.000 0.646 99 A CB -0.907 17.520 19.000 -0.955 0.000 0.806 99 A HN 1.703 nan 8.150 nan 0.000 0.448 100 A N -1.179 121.546 122.820 -0.158 0.000 2.606 100 A HA 0.680 4.999 4.320 -0.001 0.000 0.293 100 A C -3.139 174.426 177.584 -0.033 0.000 1.082 100 A CA -1.583 50.426 52.037 -0.047 0.000 0.685 100 A CB 1.077 20.051 19.000 -0.044 0.000 1.284 100 A HN 0.034 nan 8.150 nan 0.000 0.408 101 P HA 0.463 nan 4.420 nan 0.000 0.276 101 P C -0.142 177.163 177.300 0.009 0.000 1.252 101 P CA 0.011 63.116 63.100 0.008 0.000 0.802 101 P CB 1.129 32.831 31.700 0.003 0.000 1.035 102 A N 2.545 125.374 122.820 0.015 0.000 2.440 102 A HA 0.458 4.777 4.320 -0.001 0.000 0.251 102 A C -2.073 175.505 177.584 -0.010 0.000 1.089 102 A CA -1.186 50.851 52.037 -0.001 0.000 0.779 102 A CB -1.389 17.607 19.000 -0.008 0.000 1.022 102 A HN 0.406 nan 8.150 nan 0.000 0.492 103 P HA 0.221 nan 4.420 nan 0.000 0.272 103 P C -0.372 176.917 177.300 -0.018 0.000 1.240 103 P CA -0.257 62.832 63.100 -0.019 0.000 0.791 103 P CB 0.371 32.058 31.700 -0.022 0.000 0.978 104 L N 2.757 123.970 121.223 -0.017 0.000 2.461 104 L HA 0.177 4.517 4.340 -0.001 0.000 0.272 104 L C -1.884 174.977 176.870 -0.015 0.000 1.197 104 L CA -1.665 53.166 54.840 -0.014 0.000 0.836 104 L CB -0.291 41.761 42.059 -0.013 0.000 1.105 104 L HN 0.248 nan 8.230 nan 0.000 0.477 105 P HA 0.021 nan 4.420 nan 0.000 0.261 105 P C 0.646 177.938 177.300 -0.013 0.000 1.183 105 P CA 0.964 64.055 63.100 -0.015 0.000 0.761 105 P CB 0.655 32.347 31.700 -0.014 0.000 0.785 106 G N 2.491 111.283 108.800 -0.013 0.000 2.258 106 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.233 106 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.233 106 G C 0.313 175.207 174.900 -0.010 0.000 1.006 106 G CA -0.448 44.646 45.100 -0.010 0.000 0.620 106 G HN 0.521 nan 8.290 nan 0.000 0.511 107 N N 1.095 119.788 118.700 -0.012 0.000 2.472 107 N HA 0.633 5.373 4.740 -0.001 0.000 0.277 107 N C 0.013 175.515 175.510 -0.014 0.000 1.081 107 N CA 0.872 53.914 53.050 -0.013 0.000 0.973 107 N CB 1.594 40.071 38.487 -0.016 0.000 1.105 107 N HN 0.396 nan 8.380 nan 0.000 0.470 108 T N -0.167 114.380 114.554 -0.011 0.000 2.812 108 T HA 0.860 5.210 4.350 -0.001 0.000 0.294 108 T C -1.875 172.819 174.700 -0.010 0.000 1.159 108 T CA -0.656 61.438 62.100 -0.011 0.000 1.008 108 T CB 1.150 70.015 68.868 -0.006 0.000 1.289 108 T HN 0.449 nan 8.240 nan 0.000 0.514 109 A N 0.643 123.455 122.820 -0.013 0.000 2.488 109 A HA 0.775 5.095 4.320 -0.001 0.000 0.295 109 A C 0.879 178.450 177.584 -0.022 0.000 1.045 109 A CA 0.103 52.131 52.037 -0.016 0.000 0.703 109 A CB 0.849 19.834 19.000 -0.026 0.000 1.271 109 A HN 1.287 nan 8.150 nan 0.000 0.400 110 A N 1.702 124.514 122.820 -0.013 0.000 1.917 110 A HA 0.115 4.434 4.320 -0.001 0.000 0.219 110 A C 2.302 179.861 177.584 -0.042 0.000 1.182 110 A CA 2.835 54.874 52.037 0.004 0.000 0.633 110 A CB -0.879 18.133 19.000 0.020 0.000 0.819 110 A HN 2.153 nan 8.150 nan 0.000 0.448 111 A N -0.659 122.064 122.820 -0.161 0.000 2.024 111 A HA -0.034 4.286 4.320 -0.001 0.000 0.220 111 A C 2.115 179.603 177.584 -0.160 0.000 1.164 111 A CA 1.427 53.299 52.037 -0.275 0.000 0.643 111 A CB -0.543 18.133 19.000 -0.540 0.000 0.806 111 A HN 0.504 nan 8.150 nan 0.000 0.451 112 L N -1.010 120.154 121.223 -0.098 0.000 2.141 112 L HA -0.183 4.156 4.340 -0.001 0.000 0.209 112 L C 3.018 179.840 176.870 -0.080 0.000 1.094 112 L CA 0.829 55.627 54.840 -0.071 0.000 0.763 112 L CB -0.424 41.606 42.059 -0.047 0.000 0.908 112 L HN 0.459 nan 8.230 nan 0.000 0.437 113 A N 0.039 122.817 122.820 -0.070 0.000 2.024 113 A HA -0.185 4.135 4.320 -0.001 0.000 0.220 113 A C 2.167 179.630 177.584 -0.201 0.000 1.164 113 A CA 1.268 53.237 52.037 -0.113 0.000 0.643 113 A CB -0.634 18.339 19.000 -0.046 0.000 0.806 113 A HN 0.416 nan 8.150 nan 0.000 0.451 114 L N -0.694 120.438 121.223 -0.152 0.000 2.265 114 L HA -0.149 4.190 4.340 -0.001 0.000 0.215 114 L C 2.186 178.946 176.870 -0.184 0.000 1.117 114 L CA 0.655 55.382 54.840 -0.188 0.000 0.782 114 L CB -0.465 41.500 42.059 -0.157 0.000 0.914 114 L HN 0.413 nan 8.230 nan 0.000 0.441 115 L N -0.859 120.284 121.223 -0.134 0.000 2.240 115 L HA 0.140 4.480 4.340 -0.001 0.000 0.211 115 L C 1.092 177.902 176.870 -0.100 0.000 1.106 115 L CA 0.576 55.370 54.840 -0.078 0.000 0.793 115 L CB -0.511 41.531 42.059 -0.028 0.000 0.927 115 L HN 0.423 nan 8.230 nan 0.000 0.446 116 G N -0.270 108.444 108.800 -0.143 0.000 2.347 116 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.341 116 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.341 116 G C -0.316 174.510 174.900 -0.122 0.000 1.287 116 G CA -0.575 44.437 45.100 -0.146 0.000 0.984 116 G HN 0.055 nan 8.290 nan 0.000 0.526 117 E N -0.645 119.490 120.200 -0.109 0.000 2.474 117 E HA 0.140 4.490 4.350 -0.001 0.000 0.194 117 E C 0.738 177.297 176.600 -0.069 0.000 1.041 117 E CA 0.287 56.633 56.400 -0.090 0.000 0.874 117 E CB 0.335 29.982 29.700 -0.088 0.000 0.914 117 E HN 0.396 nan 8.360 nan 0.000 0.498 118 T N 3.385 117.906 114.554 -0.054 0.000 2.902 118 T HA 0.065 4.415 4.350 -0.001 0.000 0.301 118 T C -2.337 172.304 174.700 -0.099 0.000 1.012 118 T CA -0.996 61.069 62.100 -0.057 0.000 1.151 118 T CB 0.550 69.415 68.868 -0.006 0.000 0.946 118 T HN -0.066 nan 8.240 nan 0.000 0.542 119 P HA 0.089 nan 4.420 nan 0.000 0.262 119 P C -0.026 177.118 177.300 -0.261 0.000 1.182 119 P CA -0.096 62.903 63.100 -0.169 0.000 0.761 119 P CB 0.342 31.940 31.700 -0.171 0.000 0.795 120 L N 3.124 124.247 121.223 -0.166 0.000 2.473 120 L HA 0.157 4.496 4.340 -0.001 0.000 0.268 120 L C 0.719 177.470 176.870 -0.197 0.000 1.215 120 L CA -0.036 54.734 54.840 -0.116 0.000 0.823 120 L CB -0.125 41.917 42.059 -0.028 0.000 1.099 120 L HN 0.290 nan 8.230 nan 0.000 0.483 121 F N -0.060 119.867 119.950 -0.039 0.000 2.382 121 F HA 0.224 4.751 4.527 -0.001 0.000 0.331 121 F C 1.276 177.066 175.800 -0.017 0.000 1.121 121 F CA -0.034 57.964 58.000 -0.003 0.000 1.183 121 F CB 0.999 40.022 39.000 0.038 0.000 1.207 121 F HN 0.589 nan 8.300 nan 0.000 0.555 122 A N 1.182 124.100 122.820 0.163 0.000 1.865 122 A HA -0.100 4.219 4.320 -0.001 0.000 0.217 122 A C 0.200 177.828 177.584 0.073 0.000 1.191 122 A CA 2.226 54.314 52.037 0.085 0.000 0.623 122 A CB -0.788 18.255 19.000 0.071 0.000 0.826 122 A HN 0.857 nan 8.150 nan 0.000 0.444 123 D N -5.242 115.211 120.400 0.089 0.000 2.692 123 D HA 0.370 5.009 4.640 -0.001 0.000 0.303 123 D C 0.377 176.669 176.300 -0.014 0.000 1.278 123 D CA -0.100 53.915 54.000 0.025 0.000 0.852 123 D CB 0.568 41.373 40.800 0.009 0.000 1.375 123 D HN -0.131 nan 8.370 nan 0.000 0.453 124 V N -0.232 119.614 119.914 -0.114 0.000 2.332 124 V HA -0.081 4.039 4.120 -0.001 0.000 0.248 124 V C -1.046 174.846 176.094 -0.337 0.000 1.055 124 V CA 1.997 64.105 62.300 -0.320 0.000 1.038 124 V CB -1.474 30.094 31.823 -0.425 0.000 0.651 124 V HN 0.547 nan 8.190 nan 0.000 0.450 125 P HA -0.156 nan 4.420 nan 0.000 0.216 125 P C 1.696 179.013 177.300 0.027 0.000 1.150 125 P CA 1.993 65.073 63.100 -0.033 0.000 0.837 125 P CB -0.126 31.580 31.700 0.009 0.000 0.786 126 A N -1.509 121.347 122.820 0.060 0.000 1.898 126 A HA -0.232 4.088 4.320 -0.001 0.000 0.216 126 A C 2.269 179.942 177.584 0.148 0.000 1.181 126 A CA 1.380 53.510 52.037 0.154 0.000 0.620 126 A CB -1.876 17.265 19.000 0.235 0.000 0.819 126 A HN 0.137 nan 8.150 nan 0.000 0.442 127 Y N -0.256 119.930 120.300 -0.191 0.000 2.145 127 Y HA -0.173 4.377 4.550 -0.000 0.000 0.286 127 Y C 1.889 177.677 175.900 -0.187 0.000 1.145 127 Y CA 1.283 59.020 58.100 -0.605 0.000 1.148 127 Y CB -0.615 37.489 38.460 -0.594 0.000 0.981 127 Y HN 0.285 nan 8.280 nan 0.000 0.507 128 F N -0.038 119.738 119.950 -0.290 0.000 2.293 128 F HA -0.030 4.497 4.527 -0.001 0.000 0.300 128 F C 2.609 178.265 175.800 -0.239 0.000 1.086 128 F CA 0.624 58.417 58.000 -0.345 0.000 1.375 128 F CB -1.595 37.291 39.000 -0.190 0.000 1.045 128 F HN 0.181 nan 8.300 nan 0.000 0.516 129 A N -0.048 122.808 122.820 0.060 0.000 1.930 129 A HA 0.039 4.359 4.320 -0.001 0.000 0.217 129 A C 2.483 180.071 177.584 0.007 0.000 1.175 129 A CA 1.529 53.586 52.037 0.034 0.000 0.627 129 A CB -1.033 18.006 19.000 0.066 0.000 0.815 129 A HN 0.246 nan 8.150 nan 0.000 0.443 130 A N -0.257 122.570 122.820 0.011 0.000 1.930 130 A HA 0.021 4.341 4.320 -0.001 0.000 0.217 130 A C 2.126 179.679 177.584 -0.051 0.000 1.175 130 A CA 1.367 53.433 52.037 0.050 0.000 0.627 130 A CB -0.517 18.599 19.000 0.193 0.000 0.815 130 A HN 0.461 nan 8.150 nan 0.000 0.443 131 L N -0.608 120.496 121.223 -0.198 0.000 2.109 131 L HA -0.139 4.201 4.340 -0.001 0.000 0.207 131 L C 1.877 178.615 176.870 -0.221 0.000 1.086 131 L CA 1.140 55.812 54.840 -0.279 0.000 0.760 131 L CB -0.551 41.201 42.059 -0.512 0.000 0.910 131 L HN 0.293 nan 8.230 nan 0.000 0.437 132 D N 0.310 120.604 120.400 -0.177 0.000 2.178 132 D HA -0.123 4.517 4.640 -0.001 0.000 0.202 132 D C 2.168 178.413 176.300 -0.092 0.000 0.974 132 D CA 1.441 55.354 54.000 -0.144 0.000 0.841 132 D CB 0.150 40.887 40.800 -0.104 0.000 0.953 132 D HN 0.307 nan 8.370 nan 0.000 0.478 133 A N -0.064 122.722 122.820 -0.056 0.000 2.016 133 A HA -0.068 4.251 4.320 -0.001 0.000 0.217 133 A C 1.442 179.012 177.584 -0.022 0.000 1.162 133 A CA 0.611 52.633 52.037 -0.024 0.000 0.662 133 A CB -0.039 18.966 19.000 0.008 0.000 0.812 133 A HN 0.160 nan 8.150 nan 0.000 0.450 134 Q N 0.871 120.653 119.800 -0.030 0.000 3.064 134 Q HA 0.194 4.533 4.340 -0.001 0.000 0.258 134 Q C -0.972 174.993 176.000 -0.058 0.000 0.972 134 Q CA -0.780 55.013 55.803 -0.016 0.000 0.761 134 Q CB 0.346 29.104 28.738 0.032 0.000 1.281 134 Q HN 0.283 nan 8.270 nan 0.000 0.455 135 R N 2.456 122.902 120.500 -0.092 0.000 2.523 135 R HA 0.043 4.383 4.340 -0.001 0.000 0.281 135 R C -2.257 173.960 176.300 -0.139 0.000 0.969 135 R CA -0.796 55.215 56.100 -0.148 0.000 1.093 135 R CB -0.324 29.892 30.300 -0.141 0.000 0.917 135 R HN 0.495 nan 8.270 nan 0.000 0.408 136 P HA 0.027 nan 4.420 nan 0.000 0.276 136 P C 0.464 177.673 177.300 -0.152 0.000 1.244 136 P CA -0.422 62.562 63.100 -0.192 0.000 0.801 136 P CB 0.643 32.021 31.700 -0.535 0.000 1.006 137 M N 2.284 121.837 119.600 -0.078 0.000 2.213 137 M HA -0.020 4.460 4.480 -0.001 0.000 0.263 137 M C 0.863 177.070 176.300 -0.156 0.000 1.062 137 M CA 1.628 56.864 55.300 -0.108 0.000 1.105 137 M CB -0.815 31.717 32.600 -0.113 0.000 1.385 137 M HN 0.427 nan 8.290 nan 0.000 0.417 138 I N -3.357 117.105 120.570 -0.179 0.000 3.206 138 I HA 0.457 4.627 4.170 -0.001 0.000 0.313 138 I C -0.761 175.173 176.117 -0.305 0.000 1.103 138 I CA -1.304 59.860 61.300 -0.226 0.000 0.985 138 I CB 1.558 39.431 38.000 -0.211 0.000 1.240 138 I HN -0.085 nan 8.210 nan 0.000 0.464 139 N N 0.920 119.416 118.700 -0.340 0.000 2.479 139 N HA 0.427 5.166 4.740 -0.001 0.000 0.257 139 N C -1.123 174.128 175.510 -0.432 0.000 1.232 139 N CA -0.271 52.522 53.050 -0.429 0.000 0.920 139 N CB 1.353 39.558 38.487 -0.469 0.000 1.105 139 N HN 0.352 nan 8.380 nan 0.000 0.444 140 V N 0.825 120.435 119.914 -0.507 0.000 2.531 140 V HA 0.710 4.830 4.120 -0.001 0.000 0.301 140 V C -0.396 175.475 176.094 -0.372 0.000 1.034 140 V CA -0.834 61.195 62.300 -0.451 0.000 0.865 140 V CB 1.338 32.736 31.823 -0.708 0.000 0.995 140 V HN 0.793 nan 8.190 nan 0.000 0.424 141 A N 3.681 126.383 122.820 -0.196 0.000 2.350 141 A HA 1.009 5.329 4.320 -0.001 0.000 0.324 141 A C -0.204 177.464 177.584 0.140 0.000 1.118 141 A CA -0.309 51.714 52.037 -0.023 0.000 0.783 141 A CB 1.687 20.765 19.000 0.129 0.000 1.236 141 A HN 1.454 nan 8.150 nan 0.000 0.457 142 A N 1.745 124.742 122.820 0.296 0.000 2.393 142 A HA 0.740 5.060 4.320 -0.001 0.000 0.306 142 A C -0.896 176.868 177.584 0.300 0.000 1.050 142 A CA -0.410 51.839 52.037 0.355 0.000 0.724 142 A CB 0.836 20.181 19.000 0.574 0.000 1.248 142 A HN 0.798 nan 8.150 nan 0.000 0.424 143 L N 1.476 122.836 121.223 0.229 0.000 2.334 143 L HA 0.678 5.017 4.340 -0.001 0.000 0.272 143 L C -0.061 176.916 176.870 0.178 0.000 1.020 143 L CA -1.025 53.941 54.840 0.211 0.000 0.812 143 L CB 1.851 44.022 42.059 0.186 0.000 1.264 143 L HN 0.502 nan 8.230 nan 0.000 0.439 144 V N 1.231 121.263 119.914 0.196 0.000 2.427 144 V HA 0.648 4.768 4.120 -0.001 0.000 0.286 144 V C 0.365 176.591 176.094 0.220 0.000 1.034 144 V CA -0.288 62.108 62.300 0.160 0.000 0.893 144 V CB 1.469 33.371 31.823 0.132 0.000 0.982 144 V HN 0.771 nan 8.190 nan 0.000 0.452 145 G N 3.612 112.514 108.800 0.170 0.000 2.370 145 G HA2 0.205 4.165 3.960 -0.001 0.000 0.272 145 G HA3 0.205 4.165 3.960 -0.001 0.000 0.272 145 G C 0.469 175.509 174.900 0.233 0.000 1.208 145 G CA 0.258 45.483 45.100 0.210 0.000 0.856 145 G HN 1.130 nan 8.290 nan 0.000 0.500 146 H N 2.610 121.815 119.070 0.225 0.000 2.421 146 H HA -0.091 4.464 4.556 -0.001 0.000 0.298 146 H C 2.394 177.791 175.328 0.115 0.000 1.087 146 H CA 2.291 58.450 56.048 0.185 0.000 1.330 146 H CB 0.159 30.074 29.762 0.256 0.000 1.388 146 H HN 0.489 nan 8.280 nan 0.000 0.526 147 A N 0.668 123.480 122.820 -0.013 0.000 1.877 147 A HA -0.211 4.109 4.320 -0.001 0.000 0.216 147 A C 2.338 179.873 177.584 -0.082 0.000 1.186 147 A CA 1.608 53.586 52.037 -0.098 0.000 0.620 147 A CB -0.596 18.409 19.000 0.009 0.000 0.822 147 A HN 0.672 nan 8.150 nan 0.000 0.443 148 N N 0.029 118.720 118.700 -0.015 0.000 2.104 148 N HA -0.133 4.607 4.740 -0.001 0.000 0.190 148 N C 1.777 177.270 175.510 -0.028 0.000 1.024 148 N CA 1.590 54.633 53.050 -0.012 0.000 0.853 148 N CB -0.339 38.156 38.487 0.013 0.000 1.008 148 N HN 0.463 nan 8.380 nan 0.000 0.424 149 L N 1.047 122.255 121.223 -0.024 0.000 2.012 149 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 149 L C 2.693 179.524 176.870 -0.066 0.000 1.073 149 L CA 1.228 56.053 54.840 -0.026 0.000 0.748 149 L CB -0.405 41.664 42.059 0.018 0.000 0.891 149 L HN 0.141 nan 8.230 nan 0.000 0.431 150 R N 0.075 120.485 120.500 -0.151 0.000 2.073 150 R HA -0.121 4.219 4.340 -0.001 0.000 0.234 150 R C 2.300 178.553 176.300 -0.078 0.000 1.134 150 R CA 1.255 57.272 56.100 -0.138 0.000 0.952 150 R CB -0.343 29.816 30.300 -0.235 0.000 0.850 150 R HN 0.340 nan 8.270 nan 0.000 0.433 151 L N -0.268 120.911 121.223 -0.073 0.000 2.275 151 L HA -0.104 4.235 4.340 -0.001 0.000 0.215 151 L C 2.389 179.241 176.870 -0.031 0.000 1.119 151 L CA 0.948 55.761 54.840 -0.044 0.000 0.790 151 L CB -0.334 41.702 42.059 -0.038 0.000 0.919 151 L HN 0.241 nan 8.230 nan 0.000 0.443 152 A N -0.593 122.208 122.820 -0.030 0.000 2.030 152 A HA 0.245 4.565 4.320 -0.001 0.000 0.215 152 A C 2.283 179.856 177.584 -0.018 0.000 1.164 152 A CA 1.037 53.062 52.037 -0.020 0.000 0.697 152 A CB -0.161 18.829 19.000 -0.015 0.000 0.827 152 A HN 0.320 nan 8.150 nan 0.000 0.457 153 A N -1.183 121.624 122.820 -0.022 0.000 2.197 153 A HA 0.535 4.855 4.320 -0.001 0.000 0.210 153 A C 0.793 178.369 177.584 -0.015 0.000 1.180 153 A CA 0.089 52.116 52.037 -0.017 0.000 0.846 153 A CB -0.060 18.930 19.000 -0.017 0.000 0.884 153 A HN 0.423 nan 8.150 nan 0.000 0.487 154 M N 0.586 120.175 119.600 -0.018 0.000 2.181 154 M HA 0.267 4.747 4.480 -0.001 0.000 0.323 154 M C 0.937 177.230 176.300 -0.012 0.000 1.004 154 M CA -0.577 54.715 55.300 -0.014 0.000 0.941 154 M CB 1.936 34.527 32.600 -0.015 0.000 1.579 154 M HN 0.410 nan 8.290 nan 0.000 0.427 155 R N 0.199 120.695 120.500 -0.008 0.000 2.152 155 R HA -0.055 4.285 4.340 -0.001 0.000 0.232 155 R C -0.137 176.160 176.300 -0.005 0.000 1.117 155 R CA 1.126 57.222 56.100 -0.006 0.000 0.981 155 R CB -0.052 30.245 30.300 -0.005 0.000 0.870 155 R HN 0.516 nan 8.270 nan 0.000 0.451 156 D N 1.031 121.428 120.400 -0.004 0.000 2.404 156 D HA 0.182 4.822 4.640 -0.001 0.000 0.267 156 D C -1.928 174.370 176.300 -0.003 0.000 1.194 156 D CA -2.777 51.222 54.000 -0.002 0.000 0.910 156 D CB 1.629 42.430 40.800 0.001 0.000 1.090 156 D HN -0.047 nan 8.370 nan 0.000 0.511 157 P HA -0.066 nan 4.420 nan 0.000 0.239 157 P C 0.480 177.779 177.300 -0.002 0.000 1.184 157 P CA 0.488 63.580 63.100 -0.012 0.000 0.760 157 P CB 0.532 32.219 31.700 -0.022 0.000 0.884 158 Q N -1.055 118.749 119.800 0.006 0.000 2.247 158 Q HA 0.331 4.670 4.340 -0.001 0.000 0.211 158 Q C 0.937 176.947 176.000 0.017 0.000 0.861 158 Q CA -0.218 55.593 55.803 0.014 0.000 0.949 158 Q CB 0.738 29.485 28.738 0.015 0.000 1.115 158 Q HN 0.204 nan 8.270 nan 0.000 0.507 159 A N 0.461 123.289 122.820 0.013 0.000 2.263 159 A HA 0.821 5.140 4.320 -0.001 0.000 0.318 159 A C -0.431 177.164 177.584 0.019 0.000 1.111 159 A CA -0.267 51.778 52.037 0.015 0.000 0.901 159 A CB 0.636 19.642 19.000 0.010 0.000 1.280 159 A HN 0.177 nan 8.150 nan 0.000 0.503 160 A N 1.147 123.978 122.820 0.019 0.000 2.354 160 A HA 0.629 4.949 4.320 -0.001 0.000 0.269 160 A C -2.194 175.400 177.584 0.017 0.000 1.109 160 A CA -1.335 50.715 52.037 0.022 0.000 0.800 160 A CB -0.419 18.592 19.000 0.018 0.000 1.045 160 A HN 0.620 nan 8.150 nan 0.000 0.489 161 P HA 0.215 nan 4.420 nan 0.000 0.275 161 P C 0.196 177.501 177.300 0.008 0.000 1.228 161 P CA 0.018 63.126 63.100 0.013 0.000 0.786 161 P CB 0.796 32.507 31.700 0.018 0.000 0.927 162 T N -1.187 113.370 114.554 0.004 0.000 2.788 162 T HA 0.353 4.703 4.350 -0.001 0.000 0.287 162 T C 1.571 176.271 174.700 0.000 0.000 1.007 162 T CA -0.040 62.061 62.100 0.002 0.000 1.005 162 T CB 0.364 69.232 68.868 0.001 0.000 1.012 162 T HN 0.394 nan 8.240 nan 0.000 0.530 163 A N 0.839 123.658 122.820 -0.001 0.000 1.940 163 A HA 0.137 4.456 4.320 -0.001 0.000 0.219 163 A C 2.633 180.214 177.584 -0.005 0.000 1.176 163 A CA 1.898 53.933 52.037 -0.004 0.000 0.631 163 A CB -1.560 17.438 19.000 -0.003 0.000 0.814 163 A HN 1.228 nan 8.150 nan 0.000 0.446 164 A N -0.314 122.504 122.820 -0.004 0.000 1.930 164 A HA -0.134 4.185 4.320 -0.001 0.000 0.217 164 A C 1.910 179.490 177.584 -0.007 0.000 1.175 164 A CA 1.550 53.584 52.037 -0.005 0.000 0.627 164 A CB -0.451 18.547 19.000 -0.004 0.000 0.815 164 A HN 0.638 nan 8.150 nan 0.000 0.443 165 E N -0.969 119.228 120.200 -0.005 0.000 2.106 165 E HA -0.220 4.130 4.350 -0.001 0.000 0.192 165 E C 2.202 178.798 176.600 -0.007 0.000 0.984 165 E CA 1.221 57.618 56.400 -0.005 0.000 0.806 165 E CB -0.097 29.601 29.700 -0.002 0.000 0.750 165 E HN 0.683 nan 8.360 nan 0.000 0.458 166 Q N 1.146 120.943 119.800 -0.006 0.000 2.084 166 Q HA -0.239 4.101 4.340 -0.001 0.000 0.202 166 Q C 2.056 178.043 176.000 -0.022 0.000 0.978 166 Q CA 1.709 57.505 55.803 -0.011 0.000 0.844 166 Q CB -0.133 28.598 28.738 -0.011 0.000 0.898 166 Q HN 0.057 nan 8.270 nan 0.000 0.426 167 Q N -0.425 119.363 119.800 -0.019 0.000 2.167 167 Q HA 0.005 4.344 4.340 -0.001 0.000 0.202 167 Q C 1.801 177.787 176.000 -0.023 0.000 0.970 167 Q CA 1.787 57.577 55.803 -0.022 0.000 0.855 167 Q CB -0.641 28.088 28.738 -0.016 0.000 0.911 167 Q HN 0.465 nan 8.270 nan 0.000 0.438 168 A N 0.029 122.838 122.820 -0.018 0.000 1.877 168 A HA -0.184 4.136 4.320 -0.001 0.000 0.216 168 A C 2.109 179.680 177.584 -0.022 0.000 1.186 168 A CA 1.751 53.778 52.037 -0.016 0.000 0.620 168 A CB -0.552 18.440 19.000 -0.012 0.000 0.822 168 A HN 0.492 nan 8.150 nan 0.000 0.443 169 M N -1.113 118.472 119.600 -0.025 0.000 2.159 169 M HA -0.215 4.264 4.480 -0.001 0.000 0.263 169 M C 2.437 178.702 176.300 -0.058 0.000 1.063 169 M CA 1.608 56.890 55.300 -0.031 0.000 1.110 169 M CB -0.441 32.149 32.600 -0.017 0.000 1.374 169 M HN 0.504 nan 8.290 nan 0.000 0.411 170 Q N 0.218 119.978 119.800 -0.065 0.000 2.119 170 Q HA -0.170 4.170 4.340 -0.001 0.000 0.201 170 Q C 1.542 177.508 176.000 -0.056 0.000 0.972 170 Q CA 1.155 56.908 55.803 -0.084 0.000 0.847 170 Q CB -0.026 28.668 28.738 -0.074 0.000 0.903 170 Q HN 0.459 nan 8.270 nan 0.000 0.433 171 D N 0.179 120.558 120.400 -0.037 0.000 2.144 171 D HA -0.120 4.520 4.640 -0.001 0.000 0.200 171 D C 1.784 178.072 176.300 -0.020 0.000 0.978 171 D CA 1.125 55.111 54.000 -0.023 0.000 0.833 171 D CB -0.048 40.743 40.800 -0.016 0.000 0.961 171 D HN 0.274 nan 8.370 nan 0.000 0.470 172 M N -0.155 119.431 119.600 -0.023 0.000 2.175 172 M HA -0.113 4.366 4.480 -0.001 0.000 0.264 172 M C 2.092 178.382 176.300 -0.016 0.000 1.063 172 M CA 0.716 56.006 55.300 -0.016 0.000 1.119 172 M CB -0.093 32.498 32.600 -0.015 0.000 1.377 172 M HN 0.033 nan 8.290 nan 0.000 0.415 173 L N 0.606 121.809 121.223 -0.033 0.000 2.056 173 L HA -0.195 4.145 4.340 -0.001 0.000 0.207 173 L C 2.399 179.265 176.870 -0.007 0.000 1.078 173 L CA 1.927 56.748 54.840 -0.032 0.000 0.749 173 L CB -0.908 41.081 42.059 -0.115 0.000 0.901 173 L HN 0.331 nan 8.230 nan 0.000 0.433 174 Q N -0.710 119.080 119.800 -0.016 0.000 2.061 174 Q HA -0.236 4.103 4.340 -0.001 0.000 0.204 174 Q C 2.128 178.136 176.000 0.013 0.000 0.984 174 Q CA 2.012 57.816 55.803 0.001 0.000 0.846 174 Q CB -0.221 28.514 28.738 -0.005 0.000 0.902 174 Q HN 0.668 nan 8.270 nan 0.000 0.421 175 A N 0.694 123.517 122.820 0.005 0.000 1.902 175 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 175 A C 2.283 179.870 177.584 0.007 0.000 1.181 175 A CA 1.765 53.806 52.037 0.007 0.000 0.623 175 A CB -1.024 17.976 19.000 -0.000 0.000 0.818 175 A HN 0.565 nan 8.150 nan 0.000 0.443 176 A N -0.220 122.602 122.820 0.003 0.000 1.902 176 A HA -0.064 4.256 4.320 -0.001 0.000 0.217 176 A C 2.172 179.777 177.584 0.035 0.000 1.181 176 A CA 1.554 53.587 52.037 -0.006 0.000 0.623 176 A CB -0.621 18.384 19.000 0.008 0.000 0.818 176 A HN 0.485 nan 8.150 nan 0.000 0.443 177 L N -0.762 120.498 121.223 0.061 0.000 2.093 177 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 177 L C 2.503 179.425 176.870 0.087 0.000 1.085 177 L CA 1.561 56.455 54.840 0.091 0.000 0.755 177 L CB -0.688 41.422 42.059 0.085 0.000 0.904 177 L HN 0.485 nan 8.230 nan 0.000 0.435 178 E N 0.379 120.617 120.200 0.062 0.000 2.204 178 E HA -0.152 4.197 4.350 -0.001 0.000 0.194 178 E C 2.164 178.810 176.600 0.077 0.000 0.989 178 E CA 0.981 57.417 56.400 0.061 0.000 0.824 178 E CB -0.100 29.625 29.700 0.042 0.000 0.756 178 E HN 0.482 nan 8.360 nan 0.000 0.477 179 A N 0.261 123.124 122.820 0.073 0.000 2.167 179 A HA 0.188 4.508 4.320 -0.001 0.000 0.214 179 A C 1.795 179.519 177.584 0.233 0.000 1.151 179 A CA 1.086 53.181 52.037 0.096 0.000 0.735 179 A CB 0.003 18.997 19.000 -0.009 0.000 0.802 179 A HN 0.364 nan 8.150 nan 0.000 0.467 180 G N -2.668 106.275 108.800 0.238 0.000 2.227 180 G HA2 0.237 4.197 3.960 -0.001 0.000 0.168 180 G HA3 0.237 4.197 3.960 -0.001 0.000 0.168 180 G C 0.365 175.501 174.900 0.393 0.000 1.006 180 G CA 0.002 45.309 45.100 0.344 0.000 0.684 180 G HN 1.365 nan 8.290 nan 0.000 0.489 181 A N 0.579 123.577 122.820 0.298 0.000 2.498 181 A HA 0.584 4.904 4.320 -0.001 0.000 0.239 181 A C 1.816 179.550 177.584 0.250 0.000 1.068 181 A CA 0.730 52.935 52.037 0.280 0.000 0.766 181 A CB 0.617 19.718 19.000 0.169 0.000 1.003 181 A HN 1.541 nan 8.150 nan 0.000 0.497 182 V N 0.506 120.585 119.914 0.275 0.000 3.461 182 V HA 0.535 4.654 4.120 -0.001 0.000 0.267 182 V C 0.935 177.150 176.094 0.202 0.000 1.186 182 V CA 0.941 63.391 62.300 0.249 0.000 1.154 182 V CB -1.551 30.476 31.823 0.341 0.000 0.802 182 V HN 1.967 nan 8.190 nan 0.000 0.474 183 G N 0.494 109.426 108.800 0.219 0.000 2.351 183 G HA2 0.365 4.325 3.960 -0.001 0.000 0.279 183 G HA3 0.365 4.325 3.960 -0.001 0.000 0.279 183 G C -1.273 173.812 174.900 0.307 0.000 1.297 183 G CA -0.383 44.855 45.100 0.230 0.000 0.886 183 G HN 0.891 nan 8.290 nan 0.000 0.493 184 F N 0.144 120.177 119.950 0.138 0.000 2.577 184 F HA 0.899 5.425 4.527 -0.001 0.000 0.318 184 F C 0.052 175.980 175.800 0.213 0.000 1.065 184 F CA -0.530 57.560 58.000 0.150 0.000 0.929 184 F CB 2.259 41.325 39.000 0.110 0.000 1.237 184 F HN 0.922 nan 8.300 nan 0.000 0.468 185 S N 0.674 116.497 115.700 0.206 0.000 2.568 185 S HA 0.876 5.346 4.470 -0.001 0.000 0.302 185 S C -0.736 174.046 174.600 0.304 0.000 1.082 185 S CA -0.231 58.048 58.200 0.131 0.000 1.009 185 S CB 1.606 64.896 63.200 0.150 0.000 1.069 185 S HN 1.077 nan 8.310 nan 0.000 0.500 186 T N -1.863 112.858 114.554 0.278 0.000 2.908 186 T HA 0.777 5.127 4.350 -0.001 0.000 0.290 186 T C 0.057 174.953 174.700 0.326 0.000 1.034 186 T CA -0.768 61.547 62.100 0.358 0.000 1.010 186 T CB 1.491 70.571 68.868 0.353 0.000 1.068 186 T HN 1.164 nan 8.240 nan 0.000 0.481 187 G N 1.622 110.621 108.800 0.333 0.000 4.519 187 G HA2 0.460 4.420 3.960 -0.001 0.000 0.336 187 G HA3 0.460 4.420 3.960 -0.001 0.000 0.336 187 G C 0.613 175.601 174.900 0.147 0.000 1.491 187 G CA -0.711 44.549 45.100 0.266 0.000 1.008 187 G HN 0.793 nan 8.290 nan 0.000 0.515 188 L N 0.631 121.918 121.223 0.107 0.000 2.456 188 L HA -0.022 4.317 4.340 -0.001 0.000 0.224 188 L C 2.597 179.450 176.870 -0.029 0.000 1.148 188 L CA 1.113 56.002 54.840 0.081 0.000 0.825 188 L CB 0.064 42.186 42.059 0.106 0.000 0.937 188 L HN 0.507 nan 8.230 nan 0.000 0.450 189 A N -1.572 121.099 122.820 -0.249 0.000 2.275 189 A HA 0.147 4.467 4.320 -0.001 0.000 0.212 189 A C 0.097 177.451 177.584 -0.383 0.000 1.201 189 A CA 0.182 52.008 52.037 -0.352 0.000 0.843 189 A CB -0.081 18.630 19.000 -0.481 0.000 0.873 189 A HN 0.237 nan 8.150 nan 0.000 0.492 190 Y N -0.923 119.334 120.300 -0.071 0.000 2.598 190 Y HA 0.538 5.087 4.550 -0.001 0.000 0.340 190 Y C 0.217 176.121 175.900 0.006 0.000 1.038 190 Y CA -1.509 56.570 58.100 -0.035 0.000 1.100 190 Y CB 0.804 39.234 38.460 -0.050 0.000 1.281 190 Y HN 0.045 nan 8.280 nan 0.000 0.488 191 Q N 3.076 122.994 119.800 0.196 0.000 2.259 191 Q HA 0.248 4.588 4.340 -0.001 0.000 0.246 191 Q C -1.806 174.245 176.000 0.085 0.000 0.920 191 Q CA -1.830 54.038 55.803 0.109 0.000 0.895 191 Q CB 1.250 30.032 28.738 0.075 0.000 1.220 191 Q HN 0.446 nan 8.270 nan 0.000 0.439 192 P HA 0.035 nan 4.420 nan 0.000 0.245 192 P C 0.959 178.294 177.300 0.059 0.000 1.203 192 P CA 0.442 63.561 63.100 0.031 0.000 0.792 192 P CB 0.338 32.028 31.700 -0.016 0.000 0.997 193 G N 1.632 110.491 108.800 0.099 0.000 2.475 193 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.220 193 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.220 193 G C 1.714 176.744 174.900 0.218 0.000 1.125 193 G CA 0.931 46.178 45.100 0.245 0.000 0.755 193 G HN 0.360 nan 8.290 nan 0.000 0.565 194 A N 0.021 122.926 122.820 0.140 0.000 2.076 194 A HA 0.093 4.412 4.320 -0.001 0.000 0.220 194 A C 2.476 180.113 177.584 0.089 0.000 1.160 194 A CA 1.673 53.768 52.037 0.097 0.000 0.653 194 A CB -0.313 18.728 19.000 0.067 0.000 0.801 194 A HN 0.305 nan 8.150 nan 0.000 0.455 195 V N -0.220 119.750 119.914 0.094 0.000 2.809 195 V HA 0.019 4.139 4.120 -0.001 0.000 0.256 195 V C 1.680 177.826 176.094 0.087 0.000 1.080 195 V CA 0.537 62.882 62.300 0.075 0.000 1.102 195 V CB -1.428 30.431 31.823 0.060 0.000 0.705 195 V HN 0.608 nan 8.190 nan 0.000 0.475 196 A N 0.501 123.401 122.820 0.133 0.000 2.498 196 A HA 0.272 4.591 4.320 -0.001 0.000 0.239 196 A C 0.311 177.938 177.584 0.071 0.000 1.068 196 A CA 0.208 52.321 52.037 0.127 0.000 0.766 196 A CB 0.061 19.182 19.000 0.202 0.000 1.003 196 A HN 0.570 nan 8.150 nan 0.000 0.497 197 Q N 0.551 120.380 119.800 0.047 0.000 2.252 197 Q HA 0.553 4.893 4.340 -0.001 0.000 0.256 197 Q C 1.435 177.444 176.000 0.015 0.000 1.020 197 Q CA -0.355 55.466 55.803 0.030 0.000 0.913 197 Q CB 1.558 30.311 28.738 0.025 0.000 1.286 197 Q HN 0.844 nan 8.270 nan 0.000 0.480 198 A N 0.799 123.627 122.820 0.013 0.000 1.903 198 A HA -0.295 4.025 4.320 -0.001 0.000 0.219 198 A C 2.078 179.658 177.584 -0.006 0.000 1.191 198 A CA 2.549 54.590 52.037 0.005 0.000 0.638 198 A CB -1.291 17.715 19.000 0.009 0.000 0.823 198 A HN 0.841 nan 8.150 nan 0.000 0.451 199 A N -0.675 122.142 122.820 -0.004 0.000 1.917 199 A HA -0.250 4.070 4.320 -0.001 0.000 0.219 199 A C 2.070 179.640 177.584 -0.023 0.000 1.182 199 A CA 2.078 54.109 52.037 -0.011 0.000 0.633 199 A CB -0.621 18.377 19.000 -0.004 0.000 0.819 199 A HN 0.732 nan 8.150 nan 0.000 0.448 200 E N -0.213 119.977 120.200 -0.018 0.000 2.051 200 E HA -0.161 4.189 4.350 -0.001 0.000 0.192 200 E C 1.960 178.509 176.600 -0.085 0.000 0.991 200 E CA 1.241 57.625 56.400 -0.027 0.000 0.799 200 E CB -0.210 29.501 29.700 0.018 0.000 0.748 200 E HN 0.648 nan 8.360 nan 0.000 0.449 201 L N 0.489 121.655 121.223 -0.095 0.000 2.093 201 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 201 L C 2.377 179.180 176.870 -0.112 0.000 1.085 201 L CA 1.174 55.927 54.840 -0.144 0.000 0.755 201 L CB -0.411 41.587 42.059 -0.102 0.000 0.904 201 L HN 0.149 nan 8.230 nan 0.000 0.435 202 E N 0.355 120.517 120.200 -0.063 0.000 2.150 202 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 202 E C 2.271 178.835 176.600 -0.060 0.000 0.985 202 E CA 0.937 57.313 56.400 -0.040 0.000 0.814 202 E CB -0.265 29.423 29.700 -0.019 0.000 0.752 202 E HN 0.545 nan 8.360 nan 0.000 0.466 203 G N 1.414 110.167 108.800 -0.079 0.000 2.418 203 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.217 203 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.217 203 G C 1.583 176.397 174.900 -0.143 0.000 1.158 203 G CA 0.455 45.503 45.100 -0.087 0.000 0.771 203 G HN 0.082 nan 8.290 nan 0.000 0.545 204 L N 0.571 121.646 121.223 -0.248 0.000 2.109 204 L HA 0.038 4.377 4.340 -0.001 0.000 0.207 204 L C 3.369 180.012 176.870 -0.379 0.000 1.086 204 L CA 0.827 55.380 54.840 -0.478 0.000 0.760 204 L CB -0.323 41.196 42.059 -0.902 0.000 0.910 204 L HN 0.295 nan 8.230 nan 0.000 0.437 205 A N 0.079 122.819 122.820 -0.133 0.000 1.972 205 A HA -0.187 4.133 4.320 -0.001 0.000 0.219 205 A C 2.388 180.007 177.584 0.058 0.000 1.169 205 A CA 1.295 53.400 52.037 0.113 0.000 0.635 205 A CB -0.417 18.637 19.000 0.090 0.000 0.810 205 A HN 0.310 nan 8.150 nan 0.000 0.446 206 R N -0.648 119.848 120.500 -0.007 0.000 2.096 206 R HA -0.079 4.261 4.340 -0.001 0.000 0.235 206 R C 2.031 178.331 176.300 -0.000 0.000 1.127 206 R CA 1.445 57.545 56.100 -0.001 0.000 0.968 206 R CB -0.550 29.740 30.300 -0.017 0.000 0.861 206 R HN 0.419 nan 8.270 nan 0.000 0.440 207 V N 1.036 120.933 119.914 -0.029 0.000 2.295 207 V HA -0.244 3.876 4.120 -0.001 0.000 0.246 207 V C 2.484 178.593 176.094 0.024 0.000 1.049 207 V CA 2.017 64.303 62.300 -0.022 0.000 1.024 207 V CB -0.749 31.033 31.823 -0.069 0.000 0.648 207 V HN 0.387 nan 8.190 nan 0.000 0.447 208 A N 0.053 122.913 122.820 0.067 0.000 1.873 208 A HA -0.083 4.237 4.320 -0.001 0.000 0.215 208 A C 2.445 180.087 177.584 0.097 0.000 1.186 208 A CA 2.035 54.158 52.037 0.142 0.000 0.616 208 A CB -0.863 18.330 19.000 0.322 0.000 0.823 208 A HN 0.566 nan 8.150 nan 0.000 0.442 209 A N -0.191 122.679 122.820 0.083 0.000 1.908 209 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 209 A C 1.945 179.550 177.584 0.036 0.000 1.181 209 A CA 2.242 54.310 52.037 0.052 0.000 0.627 209 A CB -0.538 18.488 19.000 0.043 0.000 0.818 209 A HN 0.554 nan 8.150 nan 0.000 0.445 210 E N 0.209 120.427 120.200 0.031 0.000 2.160 210 E HA -0.154 4.196 4.350 -0.001 0.000 0.195 210 E C 1.690 178.306 176.600 0.027 0.000 0.991 210 E CA 1.386 57.800 56.400 0.023 0.000 0.810 210 E CB -0.168 29.543 29.700 0.017 0.000 0.742 210 E HN 0.621 nan 8.360 nan 0.000 0.466 211 R N -0.388 120.134 120.500 0.037 0.000 2.507 211 R HA 0.332 4.672 4.340 -0.001 0.000 0.298 211 R C -0.258 176.067 176.300 0.041 0.000 0.999 211 R CA 0.033 56.158 56.100 0.041 0.000 1.082 211 R CB 0.208 30.539 30.300 0.050 0.000 1.246 211 R HN -0.003 nan 8.270 nan 0.000 0.553 212 R N 1.281 121.801 120.500 0.033 0.000 3.333 212 R HA -0.171 4.169 4.340 -0.001 0.000 0.256 212 R C -0.465 175.848 176.300 0.022 0.000 1.010 212 R CA 0.638 56.750 56.100 0.021 0.000 0.680 212 R CB -1.031 29.277 30.300 0.014 0.000 1.102 212 R HN 0.097 nan 8.270 nan 0.000 0.440 213 R N 0.082 120.608 120.500 0.044 0.000 2.875 213 R HA 0.561 4.901 4.340 -0.001 0.000 0.251 213 R C 0.495 176.817 176.300 0.037 0.000 1.123 213 R CA -0.981 55.152 56.100 0.055 0.000 1.064 213 R CB 0.647 31.013 30.300 0.110 0.000 1.205 213 R HN 0.044 nan 8.270 nan 0.000 0.503 214 L N 0.240 121.472 121.223 0.014 0.000 2.387 214 L HA 0.392 4.732 4.340 -0.001 0.000 0.266 214 L C 0.413 177.235 176.870 -0.081 0.000 1.059 214 L CA -0.526 54.275 54.840 -0.064 0.000 0.801 214 L CB 0.907 42.849 42.059 -0.195 0.000 1.223 214 L HN 0.481 nan 8.230 nan 0.000 0.456 215 H N 0.664 119.529 119.070 -0.341 0.000 2.860 215 H HA 0.312 4.868 4.556 -0.001 0.000 0.312 215 H C -1.234 173.835 175.328 -0.433 0.000 0.995 215 H CA -0.704 54.916 56.048 -0.714 0.000 1.311 215 H CB 1.302 30.721 29.762 -0.573 0.000 1.478 215 H HN 0.685 nan 8.280 nan 0.000 0.508 216 T N 2.004 116.304 114.554 -0.423 0.000 2.829 216 T HA 0.410 4.759 4.350 -0.001 0.000 0.282 216 T C -0.179 174.298 174.700 -0.371 0.000 0.990 216 T CA -0.897 61.007 62.100 -0.327 0.000 1.028 216 T CB 1.809 70.636 68.868 -0.068 0.000 0.951 216 T HN 0.409 nan 8.240 nan 0.000 0.460 217 S N 1.203 116.691 115.700 -0.353 0.000 2.547 217 S HA 0.355 4.824 4.470 -0.001 0.000 0.281 217 S C -1.276 173.307 174.600 -0.028 0.000 1.118 217 S CA -0.838 57.250 58.200 -0.187 0.000 0.947 217 S CB 0.885 63.887 63.200 -0.331 0.000 1.053 217 S HN 0.996 nan 8.310 nan 0.000 0.482 218 H N 5.913 124.993 119.070 0.017 0.000 2.741 218 H HA 0.509 5.065 4.556 -0.001 0.000 0.282 218 H C 0.778 176.151 175.328 0.075 0.000 1.122 218 H CA -0.995 55.099 56.048 0.076 0.000 1.293 218 H CB 0.170 30.094 29.762 0.270 0.000 1.415 218 H HN 0.712 nan 8.280 nan 0.000 0.472 219 I N 1.224 121.940 120.570 0.244 0.000 3.246 219 I HA 0.024 4.194 4.170 -0.001 0.000 0.280 219 I C 1.712 177.947 176.117 0.198 0.000 1.239 219 I CA -0.446 60.960 61.300 0.176 0.000 1.336 219 I CB 0.767 38.823 38.000 0.094 0.000 1.383 219 I HN 0.649 nan 8.210 nan 0.000 0.617 220 R N 1.556 122.122 120.500 0.110 0.000 2.117 220 R HA -0.123 4.216 4.340 -0.001 0.000 0.243 220 R C 0.416 176.746 176.300 0.049 0.000 1.143 220 R CA 1.644 57.783 56.100 0.066 0.000 0.968 220 R CB 0.008 30.339 30.300 0.053 0.000 0.863 220 R HN 0.918 nan 8.270 nan 0.000 0.444 221 N N -0.797 117.943 118.700 0.066 0.000 2.371 221 N HA 0.017 4.757 4.740 -0.001 0.000 0.280 221 N C -1.388 174.159 175.510 0.062 0.000 1.084 221 N CA -0.267 52.812 53.050 0.047 0.000 0.892 221 N CB 1.922 40.425 38.487 0.025 0.000 1.653 221 N HN 0.075 nan 8.380 nan 0.000 0.480 222 E N 1.343 121.573 120.200 0.049 0.000 2.651 222 E HA 0.307 4.656 4.350 -0.001 0.000 0.208 222 E C 0.093 176.710 176.600 0.028 0.000 0.997 222 E CA -0.257 56.169 56.400 0.043 0.000 1.020 222 E CB 1.087 30.803 29.700 0.028 0.000 1.052 222 E HN 0.574 nan 8.360 nan 0.000 0.465 223 A N 0.876 123.709 122.820 0.022 0.000 3.044 223 A HA 0.169 4.489 4.320 -0.001 0.000 0.200 223 A C 0.852 178.446 177.584 0.017 0.000 1.557 223 A CA -0.104 51.944 52.037 0.018 0.000 1.647 223 A CB -0.256 18.743 19.000 -0.003 0.000 1.580 223 A HN -0.053 nan 8.150 nan 0.000 0.503 224 D N 0.475 120.877 120.400 0.003 0.000 2.182 224 D HA -0.018 4.622 4.640 -0.001 0.000 0.201 224 D C 1.440 177.748 176.300 0.012 0.000 0.986 224 D CA 1.729 55.731 54.000 0.002 0.000 0.847 224 D CB -0.338 40.458 40.800 -0.007 0.000 0.942 224 D HN 0.460 nan 8.370 nan 0.000 0.467 225 G N -0.101 108.709 108.800 0.016 0.000 3.523 225 G HA2 0.096 4.056 3.960 -0.001 0.000 0.270 225 G HA3 0.096 4.056 3.960 -0.001 0.000 0.270 225 G C 1.305 176.226 174.900 0.035 0.000 1.134 225 G CA -0.202 44.912 45.100 0.023 0.000 0.825 225 G HN 0.172 nan 8.290 nan 0.000 0.534 226 V N 0.236 120.176 119.914 0.042 0.000 2.332 226 V HA -0.173 3.947 4.120 -0.001 0.000 0.248 226 V C 2.488 178.625 176.094 0.070 0.000 1.055 226 V CA 2.581 64.919 62.300 0.064 0.000 1.038 226 V CB -0.060 31.802 31.823 0.065 0.000 0.651 226 V HN 0.563 nan 8.190 nan 0.000 0.450 227 E N 0.009 120.243 120.200 0.055 0.000 2.077 227 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 227 E C 2.273 178.894 176.600 0.035 0.000 0.989 227 E CA 1.316 57.745 56.400 0.048 0.000 0.800 227 E CB -0.376 29.347 29.700 0.038 0.000 0.746 227 E HN 0.690 nan 8.360 nan 0.000 0.452 228 A N 1.407 124.245 122.820 0.031 0.000 1.930 228 A HA -0.065 4.255 4.320 -0.001 0.000 0.217 228 A C 2.359 179.960 177.584 0.029 0.000 1.175 228 A CA 1.515 53.567 52.037 0.026 0.000 0.627 228 A CB -0.482 18.532 19.000 0.023 0.000 0.815 228 A HN 0.284 nan 8.150 nan 0.000 0.443 229 A N -0.571 122.271 122.820 0.038 0.000 1.898 229 A HA 0.020 4.340 4.320 -0.001 0.000 0.216 229 A C 2.212 179.814 177.584 0.030 0.000 1.181 229 A CA 1.728 53.791 52.037 0.043 0.000 0.620 229 A CB -0.816 18.220 19.000 0.060 0.000 0.819 229 A HN 0.354 nan 8.150 nan 0.000 0.442 230 V N 0.126 120.053 119.914 0.023 0.000 2.358 230 V HA -0.216 3.904 4.120 -0.001 0.000 0.246 230 V C 2.618 178.699 176.094 -0.021 0.000 1.047 230 V CA 2.348 64.636 62.300 -0.021 0.000 1.035 230 V CB -0.645 31.158 31.823 -0.033 0.000 0.658 230 V HN 0.736 nan 8.190 nan 0.000 0.452 231 E N 0.873 121.072 120.200 -0.002 0.000 2.118 231 E HA -0.277 4.073 4.350 -0.001 0.000 0.195 231 E C 2.151 178.756 176.600 0.008 0.000 0.992 231 E CA 2.036 58.436 56.400 0.000 0.000 0.804 231 E CB -0.345 29.360 29.700 0.008 0.000 0.741 231 E HN 0.693 nan 8.360 nan 0.000 0.458 232 E N -0.270 119.941 120.200 0.018 0.000 2.058 232 E HA -0.186 4.163 4.350 -0.001 0.000 0.194 232 E C 2.035 178.659 176.600 0.039 0.000 0.997 232 E CA 2.195 58.613 56.400 0.029 0.000 0.801 232 E CB -0.093 29.630 29.700 0.038 0.000 0.746 232 E HN 0.299 nan 8.360 nan 0.000 0.450 233 V N -0.856 119.080 119.914 0.036 0.000 2.719 233 V HA -0.104 4.015 4.120 -0.001 0.000 0.252 233 V C 2.292 178.401 176.094 0.026 0.000 1.065 233 V CA 1.023 63.357 62.300 0.056 0.000 1.086 233 V CB -0.532 31.293 31.823 0.004 0.000 0.700 233 V HN 0.219 nan 8.190 nan 0.000 0.467 234 L N 0.653 121.872 121.223 -0.007 0.000 2.109 234 L HA 0.052 4.391 4.340 -0.001 0.000 0.207 234 L C 3.010 179.883 176.870 0.003 0.000 1.086 234 L CA 1.369 56.198 54.840 -0.018 0.000 0.760 234 L CB -0.783 41.256 42.059 -0.033 0.000 0.910 234 L HN 0.414 nan 8.230 nan 0.000 0.437 235 A N 0.422 123.249 122.820 0.012 0.000 1.933 235 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 235 A C 2.189 179.787 177.584 0.024 0.000 1.175 235 A CA 1.398 53.444 52.037 0.015 0.000 0.628 235 A CB -0.560 18.450 19.000 0.016 0.000 0.814 235 A HN 0.346 nan 8.150 nan 0.000 0.444 236 I N -0.477 120.117 120.570 0.040 0.000 2.202 236 I HA -0.182 3.987 4.170 -0.001 0.000 0.242 236 I C 2.707 178.855 176.117 0.052 0.000 1.091 236 I CA 1.141 62.472 61.300 0.051 0.000 1.368 236 I CB -0.597 37.454 38.000 0.086 0.000 1.058 236 I HN 0.394 nan 8.210 nan 0.000 0.410 237 G N 0.421 109.253 108.800 0.054 0.000 2.418 237 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.217 237 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.217 237 G C 1.803 176.714 174.900 0.017 0.000 1.158 237 G CA 0.471 45.593 45.100 0.036 0.000 0.771 237 G HN 0.239 nan 8.290 nan 0.000 0.545 238 R N -0.126 120.381 120.500 0.011 0.000 2.073 238 R HA 0.002 4.342 4.340 -0.001 0.000 0.234 238 R C 2.843 179.148 176.300 0.009 0.000 1.134 238 R CA 1.333 57.437 56.100 0.006 0.000 0.952 238 R CB -0.507 29.795 30.300 0.003 0.000 0.850 238 R HN 0.349 nan 8.270 nan 0.000 0.433 239 G N -1.224 107.584 108.800 0.012 0.000 2.511 239 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.217 239 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.217 239 G C 1.273 176.180 174.900 0.011 0.000 1.133 239 G CA 1.211 46.318 45.100 0.010 0.000 0.792 239 G HN 0.495 nan 8.290 nan 0.000 0.539 240 T N -4.367 110.198 114.554 0.017 0.000 2.971 240 T HA 0.390 4.740 4.350 -0.001 0.000 0.252 240 T C 1.866 176.578 174.700 0.020 0.000 1.022 240 T CA 0.985 63.096 62.100 0.019 0.000 0.980 240 T CB 0.406 69.291 68.868 0.027 0.000 1.044 240 T HN 1.243 nan 8.240 nan 0.000 0.501 241 G N 0.762 109.572 108.800 0.018 0.000 2.162 241 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.260 241 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.260 241 G C 0.389 175.298 174.900 0.015 0.000 0.976 241 G CA -0.064 45.043 45.100 0.012 0.000 0.655 241 G HN 0.891 nan 8.290 nan 0.000 0.533 242 C N 1.970 121.289 119.300 0.032 0.000 2.629 242 C HA 0.650 5.110 4.460 -0.001 0.000 0.410 242 C C 1.569 176.567 174.990 0.014 0.000 1.339 242 C CA 0.083 59.128 59.018 0.045 0.000 1.810 242 C CB -1.005 26.794 27.740 0.099 0.000 2.549 242 C HN 1.562 nan 8.230 nan 0.000 0.589 243 A N 6.092 128.902 122.820 -0.018 0.000 2.540 243 A HA 0.476 4.795 4.320 -0.001 0.000 0.239 243 A C 0.524 178.050 177.584 -0.097 0.000 1.061 243 A CA 0.576 52.569 52.037 -0.072 0.000 0.758 243 A CB 0.069 19.005 19.000 -0.107 0.000 0.991 243 A HN 0.953 nan 8.150 nan 0.000 0.502 244 T N 1.592 116.068 114.554 -0.131 0.000 2.893 244 T HA 0.570 4.920 4.350 -0.001 0.000 0.291 244 T C -0.778 173.781 174.700 -0.235 0.000 1.028 244 T CA -0.407 61.581 62.100 -0.186 0.000 0.995 244 T CB 1.622 70.404 68.868 -0.143 0.000 1.051 244 T HN 0.517 nan 8.240 nan 0.000 0.470 245 V N 2.671 122.412 119.914 -0.289 0.000 2.577 245 V HA 0.389 4.508 4.120 -0.001 0.000 0.303 245 V C -0.360 175.590 176.094 -0.239 0.000 1.042 245 V CA -0.833 61.326 62.300 -0.235 0.000 0.872 245 V CB 2.032 33.737 31.823 -0.196 0.000 0.998 245 V HN 0.746 nan 8.190 nan 0.000 0.423 246 V N 4.234 124.017 119.914 -0.217 0.000 2.353 246 V HA 0.245 4.364 4.120 -0.001 0.000 0.264 246 V C 0.702 176.692 176.094 -0.173 0.000 1.049 246 V CA -0.053 62.112 62.300 -0.226 0.000 0.896 246 V CB 1.098 32.732 31.823 -0.314 0.000 1.025 246 V HN 0.946 nan 8.190 nan 0.000 0.475 247 S N 4.050 119.623 115.700 -0.212 0.000 2.572 247 S HA 0.166 4.636 4.470 -0.001 0.000 0.279 247 S C 0.642 174.919 174.600 -0.538 0.000 1.341 247 S CA -0.272 57.734 58.200 -0.323 0.000 1.043 247 S CB -0.040 62.951 63.200 -0.348 0.000 0.887 247 S HN 1.247 nan 8.310 nan 0.000 0.516 248 H N -0.509 118.476 119.070 -0.141 0.000 2.166 248 H HA -0.233 4.322 4.556 -0.000 0.000 0.323 248 H C -0.246 175.001 175.328 -0.135 0.000 0.936 248 H CA 0.804 56.734 56.048 -0.197 0.000 1.073 248 H CB -2.416 27.240 29.762 -0.177 0.000 1.592 248 H HN 0.652 nan 8.280 nan 0.000 0.346 249 H N 2.061 121.093 119.070 -0.064 0.000 2.964 249 H HA 0.382 4.938 4.556 -0.000 0.000 0.328 249 H C 0.763 176.047 175.328 -0.073 0.000 1.030 249 H CA 0.641 56.654 56.048 -0.058 0.000 1.445 249 H CB 0.497 30.209 29.762 -0.083 0.000 1.449 249 H HN 0.880 nan 8.280 nan 0.000 0.581 250 K N 2.098 122.261 120.400 -0.396 0.000 2.617 250 K HA 0.548 4.868 4.320 -0.001 0.000 0.293 250 K C -1.805 174.631 176.600 -0.273 0.000 1.034 250 K CA -0.940 55.148 56.287 -0.332 0.000 0.884 250 K CB 0.417 32.814 32.500 -0.172 0.000 1.541 250 K HN 0.406 nan 8.250 nan 0.000 0.409 251 C N 1.600 120.820 119.300 -0.133 0.000 2.383 251 C HA 0.508 4.967 4.460 -0.001 0.000 0.330 251 C C -0.477 174.603 174.990 0.150 0.000 1.168 251 C CA -0.666 58.355 59.018 0.004 0.000 1.374 251 C CB 0.184 27.947 27.740 0.038 0.000 2.014 251 C HN 0.682 nan 8.230 nan 0.000 0.439 252 M N 4.755 124.434 119.600 0.133 0.000 2.277 252 M HA 0.622 5.101 4.480 -0.001 0.000 0.350 252 M C -0.586 175.809 176.300 0.158 0.000 1.180 252 M CA 0.317 55.728 55.300 0.184 0.000 1.103 252 M CB 1.001 33.650 32.600 0.081 0.000 1.577 252 M HN 0.538 nan 8.290 nan 0.000 0.459 253 M N 0.063 119.764 119.600 0.168 0.000 4.047 253 M HA -0.101 4.379 4.480 -0.001 0.000 0.157 253 M C -2.406 173.578 176.300 -0.526 0.000 1.532 253 M CA -0.442 54.801 55.300 -0.096 0.000 1.097 253 M CB -1.624 30.925 32.600 -0.085 0.000 1.346 253 M HN 0.399 nan 8.290 nan 0.000 0.190 254 P HA -0.229 nan 4.420 nan 0.000 0.217 254 P C 1.564 178.445 177.300 -0.698 0.000 1.151 254 P CA 2.322 64.548 63.100 -1.458 0.000 0.849 254 P CB -0.067 31.053 31.700 -0.967 0.000 0.787 255 Q N -0.470 119.103 119.800 -0.378 0.000 2.437 255 Q HA -0.106 4.233 4.340 -0.001 0.000 0.210 255 Q C 0.681 176.622 176.000 -0.098 0.000 0.972 255 Q CA 1.547 57.238 55.803 -0.187 0.000 0.903 255 Q CB -1.171 27.490 28.738 -0.128 0.000 0.967 255 Q HN 0.409 nan 8.270 nan 0.000 0.486 256 N N -0.926 117.725 118.700 -0.082 0.000 2.184 256 N HA 0.069 4.808 4.740 -0.001 0.000 0.206 256 N C -0.880 174.749 175.510 0.199 0.000 1.151 256 N CA -0.492 52.589 53.050 0.050 0.000 0.878 256 N CB 0.293 38.815 38.487 0.059 0.000 1.014 256 N HN 0.111 nan 8.380 nan 0.000 0.512 257 W N 1.340 122.631 121.300 -0.015 0.000 2.322 257 W HA 0.278 4.938 4.660 -0.000 0.000 0.328 257 W C 1.419 177.928 176.519 -0.016 0.000 1.395 257 W CA 0.599 57.934 57.345 -0.017 0.000 1.267 257 W CB -0.209 29.246 29.460 -0.008 0.000 1.259 257 W HN 0.296 nan 8.180 nan 0.000 0.560 258 G N 2.366 111.270 108.800 0.173 0.000 2.213 258 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.226 258 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.226 258 G C 1.403 176.341 174.900 0.064 0.000 0.992 258 G CA 0.073 45.228 45.100 0.093 0.000 0.632 258 G HN 0.508 nan 8.290 nan 0.000 0.511 259 R N 1.168 121.710 120.500 0.070 0.000 2.328 259 R HA 0.054 4.393 4.340 -0.001 0.000 0.207 259 R C 2.742 179.071 176.300 0.048 0.000 1.056 259 R CA 1.331 57.464 56.100 0.054 0.000 1.016 259 R CB -0.176 30.157 30.300 0.055 0.000 0.872 259 R HN 0.634 nan 8.270 nan 0.000 0.471 260 S N 0.502 116.218 115.700 0.026 0.000 2.447 260 S HA -0.160 4.310 4.470 -0.001 0.000 0.233 260 S C 1.882 176.523 174.600 0.067 0.000 1.006 260 S CA 0.805 59.028 58.200 0.039 0.000 0.957 260 S CB -0.076 63.108 63.200 -0.025 0.000 0.773 260 S HN 0.182 nan 8.310 nan 0.000 0.507 261 R N 2.352 122.881 120.500 0.048 0.000 2.073 261 R HA 0.110 4.450 4.340 -0.001 0.000 0.234 261 R C 2.325 178.655 176.300 0.050 0.000 1.134 261 R CA 1.760 57.887 56.100 0.046 0.000 0.952 261 R CB -1.243 29.078 30.300 0.034 0.000 0.850 261 R HN 0.463 nan 8.270 nan 0.000 0.433 262 A N -0.661 122.189 122.820 0.049 0.000 1.897 262 A HA -0.109 4.211 4.320 -0.001 0.000 0.215 262 A C 2.234 179.846 177.584 0.048 0.000 1.181 262 A CA 1.904 53.966 52.037 0.043 0.000 0.620 262 A CB -1.190 17.833 19.000 0.039 0.000 0.821 262 A HN 0.627 nan 8.150 nan 0.000 0.443 263 T N -1.175 113.424 114.554 0.076 0.000 2.746 263 T HA -0.073 4.277 4.350 -0.001 0.000 0.267 263 T C 1.829 176.544 174.700 0.024 0.000 1.039 263 T CA 1.473 63.620 62.100 0.079 0.000 1.142 263 T CB -0.601 68.403 68.868 0.226 0.000 0.866 263 T HN 0.266 nan 8.240 nan 0.000 0.444 264 L N 0.891 122.150 121.223 0.059 0.000 2.141 264 L HA 0.096 4.436 4.340 -0.001 0.000 0.209 264 L C 3.309 180.205 176.870 0.044 0.000 1.094 264 L CA 1.008 55.858 54.840 0.017 0.000 0.763 264 L CB -0.729 41.393 42.059 0.106 0.000 0.908 264 L HN 0.403 nan 8.230 nan 0.000 0.437 265 A N 0.132 122.980 122.820 0.046 0.000 1.930 265 A HA -0.216 4.104 4.320 -0.001 0.000 0.217 265 A C 2.112 179.708 177.584 0.020 0.000 1.175 265 A CA 1.812 53.872 52.037 0.039 0.000 0.627 265 A CB -0.532 18.487 19.000 0.031 0.000 0.815 265 A HN 0.410 nan 8.150 nan 0.000 0.443 266 N N 0.371 119.074 118.700 0.005 0.000 2.142 266 N HA -0.065 4.675 4.740 -0.001 0.000 0.186 266 N C 1.537 177.031 175.510 -0.027 0.000 1.023 266 N CA 1.502 54.547 53.050 -0.009 0.000 0.852 266 N CB -0.392 38.087 38.487 -0.014 0.000 0.998 266 N HN 0.507 nan 8.380 nan 0.000 0.424 267 I N 0.724 121.260 120.570 -0.056 0.000 2.208 267 I HA -0.269 3.901 4.170 -0.001 0.000 0.245 267 I C 1.486 177.590 176.117 -0.021 0.000 1.097 267 I CA 1.174 62.421 61.300 -0.088 0.000 1.363 267 I CB -0.245 37.633 38.000 -0.203 0.000 1.051 267 I HN 0.098 nan 8.210 nan 0.000 0.413 268 D N 0.592 121.013 120.400 0.035 0.000 2.117 268 D HA -0.142 4.498 4.640 -0.001 0.000 0.197 268 D C 2.332 178.646 176.300 0.024 0.000 0.987 268 D CA 1.111 55.150 54.000 0.065 0.000 0.829 268 D CB -0.235 40.614 40.800 0.082 0.000 0.961 268 D HN 0.253 nan 8.370 nan 0.000 0.460 269 R N 0.494 121.001 120.500 0.012 0.000 2.105 269 R HA -0.061 4.278 4.340 -0.001 0.000 0.239 269 R C 2.215 178.514 176.300 -0.002 0.000 1.135 269 R CA 1.190 57.292 56.100 0.004 0.000 0.967 269 R CB -0.206 30.095 30.300 0.002 0.000 0.861 269 R HN 0.107 nan 8.270 nan 0.000 0.442 270 A N 1.954 124.768 122.820 -0.009 0.000 1.873 270 A HA -0.192 4.127 4.320 -0.001 0.000 0.215 270 A C 2.100 179.676 177.584 -0.013 0.000 1.186 270 A CA 1.486 53.513 52.037 -0.016 0.000 0.616 270 A CB -0.437 18.546 19.000 -0.030 0.000 0.823 270 A HN 0.384 nan 8.150 nan 0.000 0.442 271 R N -0.178 120.317 120.500 -0.010 0.000 2.189 271 R HA -0.017 4.323 4.340 -0.001 0.000 0.218 271 R C 1.426 177.723 176.300 -0.003 0.000 1.074 271 R CA 1.465 57.561 56.100 -0.007 0.000 0.991 271 R CB -0.449 29.854 30.300 0.005 0.000 0.883 271 R HN 0.575 nan 8.270 nan 0.000 0.457 272 E N 1.262 121.462 120.200 -0.000 0.000 2.208 272 E HA -0.137 4.213 4.350 -0.001 0.000 0.193 272 E C 1.622 178.220 176.600 -0.004 0.000 0.988 272 E CA 0.985 57.384 56.400 -0.002 0.000 0.828 272 E CB 0.100 29.800 29.700 -0.000 0.000 0.763 272 E HN 0.527 nan 8.360 nan 0.000 0.478 273 Q N -0.956 118.841 119.800 -0.004 0.000 2.444 273 Q HA 0.073 4.412 4.340 -0.001 0.000 0.206 273 Q C 0.998 176.995 176.000 -0.006 0.000 0.948 273 Q CA 0.503 56.303 55.803 -0.004 0.000 0.946 273 Q CB 0.891 29.627 28.738 -0.004 0.000 1.027 273 Q HN 0.384 nan 8.270 nan 0.000 0.513 274 G N -0.123 108.672 108.800 -0.008 0.000 2.201 274 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.212 274 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.212 274 G C 0.101 174.993 174.900 -0.013 0.000 0.994 274 G CA -0.217 44.878 45.100 -0.009 0.000 0.644 274 G HN 0.172 nan 8.290 nan 0.000 0.508 275 V N 1.815 121.720 119.914 -0.015 0.000 2.555 275 V HA 0.322 4.442 4.120 -0.001 0.000 0.286 275 V C 0.678 176.752 176.094 -0.032 0.000 1.044 275 V CA -0.215 62.073 62.300 -0.021 0.000 1.026 275 V CB 1.479 33.289 31.823 -0.021 0.000 0.981 275 V HN 0.361 nan 8.190 nan 0.000 0.480 276 E N 3.153 123.327 120.200 -0.042 0.000 2.129 276 E HA 0.364 4.713 4.350 -0.001 0.000 0.283 276 E C -0.754 175.798 176.600 -0.081 0.000 1.080 276 E CA -0.035 56.330 56.400 -0.059 0.000 0.867 276 E CB 1.681 31.337 29.700 -0.072 0.000 1.056 276 E HN 0.434 nan 8.360 nan 0.000 0.404 277 V N 2.437 122.304 119.914 -0.078 0.000 2.709 277 V HA 0.799 4.919 4.120 -0.001 0.000 0.308 277 V C -1.105 174.928 176.094 -0.103 0.000 1.062 277 V CA -0.273 61.964 62.300 -0.105 0.000 0.901 277 V CB 1.599 33.361 31.823 -0.102 0.000 1.003 277 V HN 0.753 nan 8.190 nan 0.000 0.425 278 A N 5.995 128.734 122.820 -0.135 0.000 2.524 278 A HA 1.050 5.370 4.320 -0.001 0.000 0.289 278 A C -1.163 176.341 177.584 -0.133 0.000 1.248 278 A CA -0.315 51.658 52.037 -0.106 0.000 0.712 278 A CB 1.907 20.857 19.000 -0.083 0.000 1.312 278 A HN 1.878 nan 8.150 nan 0.000 0.441 279 L N -2.887 118.288 121.223 -0.079 0.000 2.801 279 L HA 0.962 5.302 4.340 -0.001 0.000 0.264 279 L C -1.776 175.110 176.870 0.027 0.000 1.086 279 L CA -0.967 53.830 54.840 -0.071 0.000 0.920 279 L CB 2.135 44.107 42.059 -0.145 0.000 1.529 279 L HN 0.862 nan 8.230 nan 0.000 0.399 280 D N -0.318 120.108 120.400 0.043 0.000 2.609 280 D HA 0.748 5.388 4.640 -0.001 0.000 0.239 280 D C -0.949 175.376 176.300 0.042 0.000 1.229 280 D CA -0.477 53.575 54.000 0.088 0.000 0.808 280 D CB 2.380 43.263 40.800 0.138 0.000 1.448 280 D HN 0.879 nan 8.370 nan 0.000 0.433 281 I N -3.323 117.262 120.570 0.025 0.000 3.102 281 I HA 0.703 4.872 4.170 -0.001 0.000 0.310 281 I C -1.656 174.394 176.117 -0.111 0.000 1.246 281 I CA -1.433 59.798 61.300 -0.115 0.000 0.979 281 I CB 1.645 39.593 38.000 -0.087 0.000 1.267 281 I HN 0.499 nan 8.210 nan 0.000 0.451 282 Y N 0.282 120.567 120.300 -0.025 0.000 2.409 282 Y HA 0.828 5.377 4.550 -0.001 0.000 0.339 282 Y C -2.504 173.379 175.900 -0.028 0.000 1.033 282 Y CA -3.162 54.911 58.100 -0.044 0.000 1.094 282 Y CB 0.870 39.349 38.460 0.031 0.000 1.210 282 Y HN 0.441 nan 8.280 nan 0.000 0.456 283 P HA 0.124 nan 4.420 nan 0.000 0.225 283 P C -1.617 175.439 177.300 -0.407 0.000 1.768 283 P CA 0.603 63.440 63.100 -0.438 0.000 0.943 283 P CB -0.834 30.123 31.700 -1.238 0.000 1.936 284 Y N 0.262 120.732 120.300 0.284 0.000 2.571 284 Y HA 0.355 4.905 4.550 -0.001 0.000 0.341 284 Y C -1.827 174.328 175.900 0.426 0.000 1.076 284 Y CA -2.287 56.078 58.100 0.441 0.000 1.029 284 Y CB 2.044 40.902 38.460 0.663 0.000 1.308 284 Y HN -0.158 nan 8.280 nan 0.000 0.461 285 P HA 0.180 nan 4.420 nan 0.000 0.261 285 P C 0.030 177.583 177.300 0.422 0.000 1.352 285 P CA 0.358 63.673 63.100 0.358 0.000 0.891 285 P CB 0.584 32.424 31.700 0.233 0.000 1.383 286 G N -0.063 109.088 108.800 0.586 0.000 2.566 286 G HA2 0.485 4.445 3.960 -0.001 0.000 0.311 286 G HA3 0.485 4.445 3.960 -0.001 0.000 0.311 286 G C -0.376 174.796 174.900 0.454 0.000 1.322 286 G CA -0.266 45.012 45.100 0.297 0.000 0.969 286 G HN 0.120 nan 8.290 nan 0.000 0.490 287 S N -0.067 115.792 115.700 0.264 0.000 2.719 287 S HA 0.861 5.331 4.470 -0.001 0.000 0.285 287 S C -0.028 174.687 174.600 0.192 0.000 1.137 287 S CA -0.605 57.747 58.200 0.254 0.000 1.012 287 S CB 1.977 65.316 63.200 0.232 0.000 1.134 287 S HN 1.220 nan 8.310 nan 0.000 0.544 288 S N -0.662 115.116 115.700 0.131 0.000 2.584 288 S HA 0.625 5.095 4.470 -0.001 0.000 0.280 288 S C -0.793 173.907 174.600 0.167 0.000 1.162 288 S CA -0.092 58.184 58.200 0.126 0.000 0.951 288 S CB 1.225 64.471 63.200 0.077 0.000 1.108 288 S HN 1.178 nan 8.310 nan 0.000 0.464 289 T N 2.893 117.594 114.554 0.245 0.000 2.646 289 T HA 0.479 4.829 4.350 -0.001 0.000 0.297 289 T C -0.946 173.892 174.700 0.230 0.000 1.363 289 T CA -0.246 62.005 62.100 0.252 0.000 1.056 289 T CB -0.185 68.901 68.868 0.363 0.000 1.779 289 T HN 0.969 nan 8.240 nan 0.000 0.459 290 I N 1.364 122.055 120.570 0.202 0.000 2.938 290 I HA 0.526 4.696 4.170 -0.001 0.000 0.285 290 I C 0.050 176.249 176.117 0.137 0.000 1.182 290 I CA -0.766 60.606 61.300 0.122 0.000 1.388 290 I CB 0.193 38.248 38.000 0.091 0.000 1.390 290 I HN 0.475 nan 8.210 nan 0.000 0.600 291 L N 6.206 127.414 121.223 -0.025 0.000 2.360 291 L HA 0.397 4.737 4.340 -0.001 0.000 0.276 291 L C -0.488 176.444 176.870 0.103 0.000 1.121 291 L CA 0.403 55.261 54.840 0.031 0.000 0.845 291 L CB 0.012 41.989 42.059 -0.137 0.000 1.143 291 L HN 0.494 nan 8.230 nan 0.000 0.452 292 I N 8.249 128.939 120.570 0.200 0.000 2.371 292 I HA 0.270 4.440 4.170 -0.001 0.000 0.282 292 I C -1.539 174.632 176.117 0.091 0.000 1.031 292 I CA -1.605 59.762 61.300 0.112 0.000 1.180 292 I CB 1.384 39.419 38.000 0.059 0.000 1.336 292 I HN 0.538 nan 8.210 nan 0.000 0.467 293 P HA -0.195 nan 4.420 nan 0.000 0.217 293 P C 0.962 178.286 177.300 0.040 0.000 1.148 293 P CA 1.253 64.382 63.100 0.047 0.000 0.828 293 P CB 0.256 31.979 31.700 0.038 0.000 0.783 294 E N -0.963 119.255 120.200 0.030 0.000 2.333 294 E HA -0.135 4.215 4.350 -0.001 0.000 0.198 294 E C 1.699 178.305 176.600 0.011 0.000 1.007 294 E CA 0.842 57.252 56.400 0.016 0.000 0.845 294 E CB -0.525 29.179 29.700 0.007 0.000 0.766 294 E HN 0.307 nan 8.360 nan 0.000 0.507 295 R N -0.413 120.102 120.500 0.024 0.000 2.312 295 R HA 0.286 4.625 4.340 -0.001 0.000 0.205 295 R C 1.931 178.269 176.300 0.063 0.000 0.904 295 R CA 0.520 56.636 56.100 0.027 0.000 1.052 295 R CB 0.215 30.519 30.300 0.006 0.000 1.014 295 R HN 0.106 nan 8.270 nan 0.000 0.503 296 A N 1.490 124.345 122.820 0.058 0.000 1.986 296 A HA -0.172 4.147 4.320 -0.001 0.000 0.220 296 A C 1.551 179.149 177.584 0.023 0.000 1.171 296 A CA 1.423 53.486 52.037 0.044 0.000 0.640 296 A CB -0.019 18.997 19.000 0.027 0.000 0.811 296 A HN 0.118 nan 8.150 nan 0.000 0.451 297 E N -1.092 119.117 120.200 0.014 0.000 2.481 297 E HA 0.015 4.365 4.350 -0.001 0.000 0.198 297 E C 1.438 178.036 176.600 -0.004 0.000 1.027 297 E CA 1.057 57.457 56.400 0.001 0.000 0.900 297 E CB 0.128 29.826 29.700 -0.003 0.000 0.993 297 E HN 0.816 nan 8.360 nan 0.000 0.482 298 T N -2.691 111.865 114.554 0.004 0.000 2.971 298 T HA 0.337 4.687 4.350 -0.001 0.000 0.252 298 T C 0.875 175.578 174.700 0.006 0.000 1.022 298 T CA -0.123 61.974 62.100 -0.006 0.000 0.980 298 T CB 0.383 69.242 68.868 -0.015 0.000 1.044 298 T HN -0.101 nan 8.240 nan 0.000 0.501 299 I N 2.460 123.053 120.570 0.038 0.000 2.447 299 I HA 0.433 4.603 4.170 -0.001 0.000 0.287 299 I C -0.996 175.164 176.117 0.072 0.000 1.023 299 I CA -1.013 60.332 61.300 0.075 0.000 1.083 299 I CB 1.953 40.042 38.000 0.148 0.000 1.245 299 I HN 0.041 nan 8.210 nan 0.000 0.434 300 D N 4.661 125.088 120.400 0.046 0.000 2.348 300 D HA 0.132 4.772 4.640 -0.001 0.000 0.249 300 D C -0.072 176.253 176.300 0.041 0.000 1.110 300 D CA 0.218 54.219 54.000 0.003 0.000 0.967 300 D CB 0.988 41.758 40.800 -0.050 0.000 1.139 300 D HN 0.505 nan 8.370 nan 0.000 0.466 301 D N -0.037 120.333 120.400 -0.050 0.000 2.870 301 D HA -0.178 4.462 4.640 -0.001 0.000 0.228 301 D C -0.214 176.284 176.300 0.330 0.000 1.147 301 D CA 0.436 54.436 54.000 -0.001 0.000 0.757 301 D CB -1.449 39.322 40.800 -0.047 0.000 1.091 301 D HN 0.361 nan 8.370 nan 0.000 0.429 302 I N 0.593 121.268 120.570 0.174 0.000 2.581 302 I HA -0.025 4.144 4.170 -0.001 0.000 0.285 302 I C 1.244 177.394 176.117 0.055 0.000 1.129 302 I CA 0.300 61.618 61.300 0.030 0.000 1.397 302 I CB 0.424 38.409 38.000 -0.026 0.000 1.399 302 I HN -0.082 nan 8.210 nan 0.000 0.537 303 R N 7.238 127.700 120.500 -0.063 0.000 2.393 303 R HA 0.431 4.771 4.340 -0.001 0.000 0.310 303 R C -0.570 175.600 176.300 -0.217 0.000 0.968 303 R CA -0.856 55.161 56.100 -0.137 0.000 0.867 303 R CB 0.908 31.120 30.300 -0.146 0.000 1.124 303 R HN 0.449 nan 8.270 nan 0.000 0.450 304 I N 4.637 125.089 120.570 -0.197 0.000 2.556 304 I HA 0.000 4.170 4.170 -0.001 0.000 0.284 304 I C 1.617 177.649 176.117 -0.142 0.000 1.114 304 I CA 0.345 61.525 61.300 -0.200 0.000 1.418 304 I CB 1.111 39.009 38.000 -0.170 0.000 1.394 304 I HN 0.839 nan 8.210 nan 0.000 0.552 305 T N 2.778 117.250 114.554 -0.137 0.000 3.040 305 T HA 0.110 4.460 4.350 -0.001 0.000 0.252 305 T C 0.119 174.933 174.700 0.190 0.000 1.064 305 T CA -0.081 62.035 62.100 0.028 0.000 1.110 305 T CB 0.416 69.351 68.868 0.112 0.000 0.921 305 T HN 0.697 nan 8.240 nan 0.000 0.480 306 W N -0.439 120.839 121.300 -0.036 0.000 3.173 306 W HA 0.678 5.338 4.660 -0.000 0.000 0.313 306 W C -2.192 174.330 176.519 0.006 0.000 1.228 306 W CA -1.054 56.281 57.345 -0.017 0.000 1.185 306 W CB 0.779 30.224 29.460 -0.025 0.000 1.390 306 W HN 0.020 nan 8.180 nan 0.000 0.568 307 S N 0.252 116.095 115.700 0.238 0.000 2.626 307 S HA 0.385 4.854 4.470 -0.001 0.000 0.275 307 S C 0.207 174.959 174.600 0.254 0.000 1.175 307 S CA 0.182 58.442 58.200 0.100 0.000 0.982 307 S CB 1.690 64.932 63.200 0.070 0.000 1.093 307 S HN 0.423 nan 8.310 nan 0.000 0.472 308 T N 5.110 119.832 114.554 0.280 0.000 2.737 308 T HA 0.033 4.383 4.350 -0.001 0.000 0.265 308 T C -0.907 173.837 174.700 0.072 0.000 1.038 308 T CA 1.586 63.808 62.100 0.202 0.000 1.144 308 T CB -0.686 68.306 68.868 0.206 0.000 0.866 308 T HN 0.657 nan 8.240 nan 0.000 0.434 309 P HA -0.021 nan 4.420 nan 0.000 0.224 309 P C 0.055 177.132 177.300 -0.372 0.000 1.157 309 P CA 1.139 64.145 63.100 -0.158 0.000 0.799 309 P CB 0.216 31.837 31.700 -0.131 0.000 0.809 310 H N -0.092 119.036 119.070 0.096 0.000 2.379 310 H HA 0.212 4.768 4.556 -0.001 0.000 0.229 310 H C -1.749 173.644 175.328 0.107 0.000 1.423 310 H CA -1.427 54.694 56.048 0.122 0.000 1.375 310 H CB 1.109 31.002 29.762 0.219 0.000 1.592 310 H HN 0.163 nan 8.280 nan 0.000 0.507 311 P HA -0.164 nan 4.420 nan 0.000 0.225 311 P C 1.329 178.699 177.300 0.116 0.000 1.148 311 P CA 0.967 64.146 63.100 0.131 0.000 0.779 311 P CB 0.423 32.180 31.700 0.094 0.000 0.780 312 E N -0.213 120.068 120.200 0.135 0.000 2.347 312 E HA -0.102 4.248 4.350 -0.001 0.000 0.196 312 E C 1.201 177.854 176.600 0.088 0.000 1.008 312 E CA 0.709 57.174 56.400 0.108 0.000 0.852 312 E CB -1.348 28.429 29.700 0.129 0.000 0.783 312 E HN 0.222 nan 8.360 nan 0.000 0.505 313 C N 1.570 120.932 119.300 0.104 0.000 2.576 313 C HA 0.214 4.673 4.460 -0.001 0.000 0.267 313 C C 1.017 175.999 174.990 -0.014 0.000 1.364 313 C CA -0.334 58.703 59.018 0.031 0.000 1.723 313 C CB -1.226 26.531 27.740 0.028 0.000 1.778 313 C HN 0.181 nan 8.230 nan 0.000 0.572 314 S N 0.666 116.376 115.700 0.017 0.000 2.537 314 S HA 0.386 4.856 4.470 -0.001 0.000 0.286 314 S C 1.328 175.906 174.600 -0.038 0.000 1.299 314 S CA 1.109 59.310 58.200 0.002 0.000 1.067 314 S CB 0.303 63.533 63.200 0.050 0.000 0.864 314 S HN 0.881 nan 8.310 nan 0.000 0.494 315 G N 2.739 111.493 108.800 -0.077 0.000 2.217 315 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.246 315 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.246 315 G C -0.192 174.583 174.900 -0.209 0.000 0.990 315 G CA -0.076 44.953 45.100 -0.118 0.000 0.627 315 G HN 0.635 nan 8.290 nan 0.000 0.522 316 E N -0.441 119.648 120.200 -0.186 0.000 2.283 316 E HA 0.562 4.912 4.350 -0.001 0.000 0.267 316 E C -0.573 175.884 176.600 -0.239 0.000 1.045 316 E CA -0.873 55.399 56.400 -0.213 0.000 0.884 316 E CB 0.767 30.383 29.700 -0.139 0.000 1.106 316 E HN 0.246 nan 8.360 nan 0.000 0.408 317 Y N 1.316 121.552 120.300 -0.107 0.000 2.319 317 Y HA -0.005 4.545 4.550 -0.000 0.000 0.328 317 Y C 1.013 176.816 175.900 -0.161 0.000 1.133 317 Y CA -0.191 57.841 58.100 -0.112 0.000 1.265 317 Y CB 0.654 39.058 38.460 -0.093 0.000 1.218 317 Y HN 0.523 nan 8.280 nan 0.000 0.508 318 L N 3.272 124.506 121.223 0.018 0.000 2.079 318 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 318 L C 2.120 178.917 176.870 -0.123 0.000 1.081 318 L CA 2.284 57.064 54.840 -0.100 0.000 0.752 318 L CB -0.933 41.083 42.059 -0.071 0.000 0.896 318 L HN 0.804 nan 8.230 nan 0.000 0.433 319 A N -0.885 121.897 122.820 -0.062 0.000 1.908 319 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 319 A C 1.996 179.514 177.584 -0.110 0.000 1.181 319 A CA 1.941 53.925 52.037 -0.089 0.000 0.627 319 A CB -0.791 18.152 19.000 -0.096 0.000 0.818 319 A HN 0.550 nan 8.150 nan 0.000 0.445 320 D N -0.099 120.253 120.400 -0.080 0.000 2.144 320 D HA -0.068 4.572 4.640 -0.001 0.000 0.200 320 D C 1.880 178.048 176.300 -0.220 0.000 0.978 320 D CA 0.989 54.930 54.000 -0.098 0.000 0.833 320 D CB -0.295 40.492 40.800 -0.022 0.000 0.961 320 D HN 0.542 nan 8.370 nan 0.000 0.470 321 I N 1.243 121.607 120.570 -0.344 0.000 2.202 321 I HA -0.232 3.938 4.170 -0.001 0.000 0.242 321 I C 2.523 178.141 176.117 -0.833 0.000 1.091 321 I CA 1.024 61.894 61.300 -0.717 0.000 1.368 321 I CB -0.266 37.220 38.000 -0.857 0.000 1.058 321 I HN -0.087 nan 8.210 nan 0.000 0.410 322 A N 0.828 123.350 122.820 -0.497 0.000 1.908 322 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 322 A C 2.539 180.045 177.584 -0.130 0.000 1.181 322 A CA 1.973 53.855 52.037 -0.259 0.000 0.627 322 A CB -0.858 18.061 19.000 -0.136 0.000 0.818 322 A HN 0.449 nan 8.150 nan 0.000 0.445 323 A N -0.430 122.309 122.820 -0.135 0.000 1.902 323 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 323 A C 2.252 179.816 177.584 -0.033 0.000 1.181 323 A CA 1.783 53.781 52.037 -0.065 0.000 0.623 323 A CB -0.490 18.470 19.000 -0.066 0.000 0.818 323 A HN 0.546 nan 8.150 nan 0.000 0.443 324 R N -1.582 118.868 120.500 -0.084 0.000 2.096 324 R HA -0.169 4.171 4.340 -0.001 0.000 0.235 324 R C 1.602 178.019 176.300 0.195 0.000 1.127 324 R CA 1.732 57.837 56.100 0.009 0.000 0.968 324 R CB -0.218 30.051 30.300 -0.052 0.000 0.861 324 R HN 0.696 nan 8.270 nan 0.000 0.440 325 W N -0.320 120.957 121.300 -0.038 0.000 2.905 325 W HA 0.336 4.995 4.660 -0.001 0.000 0.251 325 W C 1.011 177.514 176.519 -0.026 0.000 1.305 325 W CA 0.756 58.078 57.345 -0.039 0.000 1.465 325 W CB -0.586 28.837 29.460 -0.062 0.000 1.122 325 W HN 0.392 nan 8.180 nan 0.000 0.659 326 G N 0.854 109.761 108.800 0.178 0.000 2.225 326 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.264 326 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.264 326 G C 0.110 175.067 174.900 0.096 0.000 1.060 326 G CA 0.093 45.254 45.100 0.102 0.000 0.833 326 G HN 0.407 nan 8.290 nan 0.000 0.498 327 C N -1.306 118.061 119.300 0.112 0.000 3.213 327 C HA 0.920 5.380 4.460 -0.001 0.000 0.319 327 C C 0.308 175.332 174.990 0.056 0.000 1.386 327 C CA -0.573 58.501 59.018 0.093 0.000 1.494 327 C CB 1.659 29.485 27.740 0.144 0.000 1.905 327 C HN 0.716 nan 8.230 nan 0.000 0.456 328 D N 0.498 120.923 120.400 0.043 0.000 2.358 328 D HA 0.215 4.855 4.640 -0.001 0.000 0.244 328 D C 0.730 177.039 176.300 0.015 0.000 1.163 328 D CA -0.488 53.524 54.000 0.019 0.000 0.945 328 D CB 0.616 41.426 40.800 0.016 0.000 1.152 328 D HN 0.699 nan 8.370 nan 0.000 0.451 329 K N -0.315 120.081 120.400 -0.007 0.000 2.152 329 K HA -0.112 4.208 4.320 -0.001 0.000 0.206 329 K C 1.881 178.483 176.600 0.003 0.000 1.048 329 K CA 1.548 57.824 56.287 -0.019 0.000 0.933 329 K CB -0.268 32.217 32.500 -0.025 0.000 0.721 329 K HN 0.480 nan 8.250 nan 0.000 0.447 330 T N 0.564 115.128 114.554 0.016 0.000 2.777 330 T HA -0.109 4.240 4.350 -0.001 0.000 0.266 330 T C 1.925 176.651 174.700 0.043 0.000 1.040 330 T CA 1.672 63.788 62.100 0.027 0.000 1.141 330 T CB -0.298 68.585 68.868 0.024 0.000 0.868 330 T HN 0.253 nan 8.240 nan 0.000 0.444 331 T N 1.986 116.571 114.554 0.053 0.000 2.746 331 T HA -0.007 4.342 4.350 -0.001 0.000 0.267 331 T C 2.400 177.177 174.700 0.129 0.000 1.039 331 T CA 1.124 63.272 62.100 0.079 0.000 1.142 331 T CB -0.507 68.409 68.868 0.081 0.000 0.866 331 T HN 0.424 nan 8.240 nan 0.000 0.444 332 A N 1.422 124.321 122.820 0.132 0.000 1.902 332 A HA 0.157 4.477 4.320 -0.001 0.000 0.217 332 A C 2.635 180.298 177.584 0.133 0.000 1.181 332 A CA 1.793 53.943 52.037 0.187 0.000 0.623 332 A CB -1.055 17.911 19.000 -0.057 0.000 0.818 332 A HN 0.503 nan 8.150 nan 0.000 0.443 333 A N -0.217 122.634 122.820 0.051 0.000 1.933 333 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 333 A C 2.232 179.851 177.584 0.058 0.000 1.175 333 A CA 1.524 53.579 52.037 0.030 0.000 0.628 333 A CB -0.426 18.585 19.000 0.019 0.000 0.814 333 A HN 0.555 nan 8.150 nan 0.000 0.444 334 R N -0.736 119.809 120.500 0.074 0.000 2.092 334 R HA -0.031 4.309 4.340 -0.001 0.000 0.231 334 R C 2.313 178.671 176.300 0.097 0.000 1.119 334 R CA 1.349 57.491 56.100 0.070 0.000 0.970 334 R CB -0.231 30.105 30.300 0.060 0.000 0.864 334 R HN 0.473 nan 8.270 nan 0.000 0.440 335 R N 0.334 120.925 120.500 0.152 0.000 2.189 335 R HA -0.011 4.329 4.340 -0.001 0.000 0.218 335 R C 1.943 178.407 176.300 0.273 0.000 1.074 335 R CA 0.797 57.009 56.100 0.187 0.000 0.991 335 R CB -0.083 30.335 30.300 0.197 0.000 0.883 335 R HN 0.218 nan 8.270 nan 0.000 0.457 336 L N 0.548 121.919 121.223 0.247 0.000 2.418 336 L HA 0.123 4.463 4.340 -0.001 0.000 0.218 336 L C 1.002 177.921 176.870 0.082 0.000 1.125 336 L CA -0.348 54.623 54.840 0.219 0.000 0.835 336 L CB -0.159 41.955 42.059 0.092 0.000 0.953 336 L HN 0.057 nan 8.230 nan 0.000 0.454 337 A N 1.580 124.430 122.820 0.049 0.000 2.498 337 A HA 0.302 4.621 4.320 -0.001 0.000 0.239 337 A C -2.070 175.537 177.584 0.040 0.000 1.068 337 A CA -0.864 51.175 52.037 0.005 0.000 0.766 337 A CB -0.515 18.496 19.000 0.018 0.000 1.003 337 A HN -0.018 nan 8.150 nan 0.000 0.497 338 P HA 0.522 nan 4.420 nan 0.000 0.279 338 P C -0.505 176.648 177.300 -0.245 0.000 1.239 338 P CA 0.136 63.246 63.100 0.017 0.000 0.789 338 P CB 1.557 33.374 31.700 0.195 0.000 0.933 339 A N 1.986 124.410 122.820 -0.660 0.000 2.588 339 A HA 0.841 5.161 4.320 -0.001 0.000 0.290 339 A C -0.705 175.972 177.584 -1.512 0.000 1.136 339 A CA -0.382 50.835 52.037 -1.367 0.000 0.681 339 A CB 1.377 20.009 19.000 -0.615 0.000 1.282 339 A HN 0.615 nan 8.150 nan 0.000 0.421 340 G N -1.542 106.231 108.800 -1.712 0.000 2.569 340 G HA2 0.913 4.873 3.960 -0.001 0.000 0.300 340 G HA3 0.913 4.873 3.960 -0.001 0.000 0.300 340 G C -0.584 174.031 174.900 -0.475 0.000 1.269 340 G CA 0.046 44.656 45.100 -0.817 0.000 0.959 340 G HN 2.078 nan 8.290 nan 0.000 0.478 341 A N -0.417 122.225 122.820 -0.296 0.000 2.581 341 A HA 0.797 5.117 4.320 -0.001 0.000 0.290 341 A C -1.505 175.772 177.584 -0.511 0.000 1.119 341 A CA -0.614 51.160 52.037 -0.439 0.000 0.670 341 A CB 0.977 19.603 19.000 -0.623 0.000 1.280 341 A HN 0.710 nan 8.150 nan 0.000 0.425 342 I N 0.445 120.654 120.570 -0.602 0.000 2.474 342 I HA 0.452 4.622 4.170 -0.001 0.000 0.294 342 I C -1.576 174.038 176.117 -0.839 0.000 1.005 342 I CA -0.435 60.527 61.300 -0.563 0.000 1.113 342 I CB 1.702 39.416 38.000 -0.478 0.000 1.289 342 I HN 0.599 nan 8.210 nan 0.000 0.436 343 Y N 5.412 125.486 120.300 -0.376 0.000 2.338 343 Y HA 0.402 4.952 4.550 -0.001 0.000 0.328 343 Y C -0.591 175.105 175.900 -0.341 0.000 0.965 343 Y CA -0.719 57.218 58.100 -0.272 0.000 1.208 343 Y CB 0.875 39.289 38.460 -0.077 0.000 1.132 343 Y HN 0.310 nan 8.280 nan 0.000 0.469 344 F N 2.638 122.654 119.950 0.108 0.000 2.462 344 F HA 0.472 4.999 4.527 -0.000 0.000 0.354 344 F C 0.815 176.711 175.800 0.160 0.000 1.192 344 F CA -0.283 57.755 58.000 0.063 0.000 1.173 344 F CB 0.611 39.565 39.000 -0.077 0.000 1.402 344 F HN 0.691 nan 8.300 nan 0.000 0.595 345 A N 2.783 125.795 122.820 0.320 0.000 2.661 345 A HA 0.543 4.862 4.320 -0.001 0.000 0.278 345 A C 0.083 177.971 177.584 0.505 0.000 1.090 345 A CA -0.149 52.106 52.037 0.363 0.000 0.969 345 A CB -0.004 19.138 19.000 0.236 0.000 1.240 345 A HN 0.512 nan 8.150 nan 0.000 0.578 346 M N 0.025 119.822 119.600 0.329 0.000 2.705 346 M HA 0.437 4.917 4.480 -0.001 0.000 0.311 346 M C -0.736 175.260 176.300 -0.507 0.000 1.214 346 M CA -0.471 54.853 55.300 0.040 0.000 0.920 346 M CB 1.239 33.837 32.600 -0.004 0.000 1.687 346 M HN 0.109 nan 8.290 nan 0.000 0.481 347 D N 0.678 120.368 120.400 -1.184 0.000 2.359 347 D HA 0.120 4.760 4.640 -0.001 0.000 0.230 347 D C 0.577 176.558 176.300 -0.532 0.000 1.118 347 D CA -0.036 53.195 54.000 -1.282 0.000 0.844 347 D CB 1.069 40.958 40.800 -1.517 0.000 1.059 347 D HN 0.654 nan 8.370 nan 0.000 0.493 348 E N 2.825 122.839 120.200 -0.310 0.000 2.209 348 E HA -0.196 4.154 4.350 -0.001 0.000 0.196 348 E C 0.767 177.266 176.600 -0.169 0.000 0.993 348 E CA 1.462 57.779 56.400 -0.139 0.000 0.819 348 E CB 0.191 29.869 29.700 -0.036 0.000 0.745 348 E HN 0.464 nan 8.360 nan 0.000 0.477 349 D N -0.076 120.203 120.400 -0.202 0.000 2.178 349 D HA -0.156 4.484 4.640 -0.001 0.000 0.202 349 D C 1.708 177.909 176.300 -0.166 0.000 0.974 349 D CA 1.146 55.045 54.000 -0.168 0.000 0.841 349 D CB -0.144 40.575 40.800 -0.134 0.000 0.953 349 D HN 0.463 nan 8.370 nan 0.000 0.478 350 E N 0.542 120.620 120.200 -0.203 0.000 2.107 350 E HA -0.100 4.249 4.350 -0.001 0.000 0.191 350 E C 2.073 178.591 176.600 -0.137 0.000 0.982 350 E CA 0.415 56.716 56.400 -0.166 0.000 0.809 350 E CB 0.225 29.799 29.700 -0.210 0.000 0.756 350 E HN -0.070 nan 8.360 nan 0.000 0.459 351 V N 1.498 121.324 119.914 -0.148 0.000 2.332 351 V HA -0.295 3.824 4.120 -0.001 0.000 0.248 351 V C 2.215 178.287 176.094 -0.037 0.000 1.055 351 V CA 2.180 64.428 62.300 -0.087 0.000 1.038 351 V CB -0.427 31.372 31.823 -0.040 0.000 0.651 351 V HN 0.255 nan 8.190 nan 0.000 0.450 352 K N -0.392 119.926 120.400 -0.137 0.000 2.057 352 K HA -0.119 4.201 4.320 -0.001 0.000 0.206 352 K C 2.380 178.948 176.600 -0.053 0.000 1.050 352 K CA 1.239 57.396 56.287 -0.216 0.000 0.935 352 K CB -0.234 32.028 32.500 -0.397 0.000 0.715 352 K HN 0.397 nan 8.250 nan 0.000 0.439 353 R N 0.603 121.067 120.500 -0.061 0.000 2.096 353 R HA -0.050 4.289 4.340 -0.001 0.000 0.235 353 R C 2.296 178.611 176.300 0.024 0.000 1.127 353 R CA 1.149 57.232 56.100 -0.027 0.000 0.968 353 R CB -0.341 29.938 30.300 -0.034 0.000 0.861 353 R HN 0.212 nan 8.270 nan 0.000 0.440 354 I N 0.034 120.627 120.570 0.039 0.000 2.252 354 I HA -0.272 3.898 4.170 -0.001 0.000 0.245 354 I C 2.207 178.411 176.117 0.145 0.000 1.102 354 I CA 1.037 62.389 61.300 0.086 0.000 1.385 354 I CB -0.261 37.764 38.000 0.041 0.000 1.064 354 I HN 0.062 nan 8.210 nan 0.000 0.414 355 F N 1.886 121.842 119.950 0.010 0.000 2.216 355 F HA -0.222 4.305 4.527 -0.001 0.000 0.300 355 F C 2.433 178.256 175.800 0.039 0.000 1.085 355 F CA 1.584 59.606 58.000 0.036 0.000 1.326 355 F CB -0.472 38.574 39.000 0.076 0.000 1.027 355 F HN 0.087 nan 8.300 nan 0.000 0.497 356 Q N -0.809 118.905 119.800 -0.142 0.000 2.364 356 Q HA -0.171 4.169 4.340 -0.001 0.000 0.207 356 Q C 0.650 176.541 176.000 -0.181 0.000 0.970 356 Q CA 0.347 56.005 55.803 -0.241 0.000 0.888 356 Q CB -0.512 28.155 28.738 -0.118 0.000 0.951 356 Q HN 0.379 nan 8.270 nan 0.000 0.469 357 H N 1.178 120.158 119.070 -0.150 0.000 3.001 357 H HA -0.027 4.528 4.556 -0.001 0.000 0.334 357 H C -1.861 173.385 175.328 -0.136 0.000 1.034 357 H CA -1.153 54.832 56.048 -0.104 0.000 1.420 357 H CB 1.187 30.918 29.762 -0.050 0.000 1.405 357 H HN -0.081 nan 8.280 nan 0.000 0.593 358 P HA -0.116 nan 4.420 nan 0.000 0.218 358 P C 0.717 178.007 177.300 -0.017 0.000 1.146 358 P CA 1.248 64.217 63.100 -0.218 0.000 0.813 358 P CB 0.231 31.762 31.700 -0.282 0.000 0.778 359 C N -2.723 116.727 119.300 0.251 0.000 2.688 359 C HA 0.319 4.779 4.460 -0.001 0.000 0.297 359 C C 1.040 176.102 174.990 0.121 0.000 1.308 359 C CA -0.739 58.386 59.018 0.178 0.000 1.726 359 C CB -1.704 26.141 27.740 0.176 0.000 1.982 359 C HN 0.252 nan 8.230 nan 0.000 0.604 360 C N 2.801 122.168 119.300 0.112 0.000 2.325 360 C HA 0.656 5.116 4.460 -0.001 0.000 0.347 360 C C 0.290 175.350 174.990 0.116 0.000 1.263 360 C CA -0.158 58.913 59.018 0.088 0.000 1.806 360 C CB -1.101 26.696 27.740 0.094 0.000 2.405 360 C HN 0.582 nan 8.230 nan 0.000 0.537 361 M N 4.288 123.985 119.600 0.161 0.000 2.679 361 M HA 0.527 5.007 4.480 -0.001 0.000 0.287 361 M C -0.499 175.918 176.300 0.196 0.000 1.202 361 M CA -0.732 54.689 55.300 0.201 0.000 0.911 361 M CB 1.277 34.009 32.600 0.220 0.000 1.556 361 M HN 0.263 nan 8.290 nan 0.000 0.511 362 V N 0.587 120.574 119.914 0.122 0.000 2.398 362 V HA 0.694 4.814 4.120 -0.001 0.000 0.286 362 V C 0.131 176.216 176.094 -0.015 0.000 1.026 362 V CA -0.556 61.665 62.300 -0.131 0.000 0.868 362 V CB 1.190 32.613 31.823 -0.667 0.000 0.982 362 V HN 0.946 nan 8.190 nan 0.000 0.443 363 G N 1.826 110.641 108.800 0.025 0.000 2.702 363 G HA2 0.435 4.395 3.960 -0.001 0.000 0.295 363 G HA3 0.435 4.395 3.960 -0.001 0.000 0.295 363 G C 0.694 175.714 174.900 0.199 0.000 1.446 363 G CA 0.301 45.527 45.100 0.210 0.000 0.983 363 G HN 0.804 nan 8.290 nan 0.000 0.520 364 S N 2.138 117.988 115.700 0.250 0.000 2.382 364 S HA -0.120 4.349 4.470 -0.001 0.000 0.228 364 S C 1.247 175.916 174.600 0.115 0.000 1.027 364 S CA 1.362 59.678 58.200 0.194 0.000 0.991 364 S CB -0.162 63.201 63.200 0.272 0.000 0.823 364 S HN 0.763 nan 8.310 nan 0.000 0.469 365 D N 1.202 121.739 120.400 0.228 0.000 2.837 365 D HA -0.100 4.540 4.640 -0.001 0.000 0.230 365 D C 0.228 176.589 176.300 0.102 0.000 1.152 365 D CA 1.005 55.169 54.000 0.273 0.000 0.736 365 D CB -1.650 39.223 40.800 0.122 0.000 1.084 365 D HN 0.721 nan 8.370 nan 0.000 0.429 366 G N 0.159 109.013 108.800 0.090 0.000 2.441 366 G HA2 0.415 4.374 3.960 -0.001 0.000 0.243 366 G HA3 0.415 4.374 3.960 -0.001 0.000 0.243 366 G C 0.422 175.339 174.900 0.029 0.000 1.281 366 G CA -0.456 44.646 45.100 0.004 0.000 0.854 366 G HN 0.326 nan 8.290 nan 0.000 0.560 367 L N 4.505 125.697 121.223 -0.051 0.000 2.435 367 L HA 0.245 4.585 4.340 -0.001 0.000 0.253 367 L C -1.218 175.541 176.870 -0.186 0.000 1.087 367 L CA -1.634 53.167 54.840 -0.065 0.000 0.950 367 L CB 2.121 44.165 42.059 -0.026 0.000 1.304 367 L HN 0.480 nan 8.230 nan 0.000 0.453 368 P HA -0.181 nan 4.420 nan 0.000 0.223 368 P C 0.699 177.753 177.300 -0.411 0.000 1.144 368 P CA 1.262 64.019 63.100 -0.572 0.000 0.783 368 P CB 0.339 31.577 31.700 -0.770 0.000 0.771 369 N N -0.472 118.051 118.700 -0.296 0.000 2.392 369 N HA -0.024 4.716 4.740 -0.001 0.000 0.177 369 N C -0.258 175.071 175.510 -0.301 0.000 1.066 369 N CA -0.164 52.711 53.050 -0.292 0.000 0.895 369 N CB 0.095 38.392 38.487 -0.317 0.000 0.988 369 N HN -0.024 nan 8.380 nan 0.000 0.457 370 D N 0.309 120.567 120.400 -0.237 0.000 2.455 370 D HA 0.036 4.676 4.640 -0.001 0.000 0.241 370 D C 0.926 177.203 176.300 -0.038 0.000 1.138 370 D CA 0.050 53.985 54.000 -0.109 0.000 0.877 370 D CB 1.299 42.135 40.800 0.060 0.000 1.187 370 D HN 0.199 nan 8.370 nan 0.000 0.451 371 A N 3.263 126.114 122.820 0.052 0.000 1.898 371 A HA -0.123 4.197 4.320 -0.001 0.000 0.216 371 A C 1.441 179.049 177.584 0.040 0.000 1.181 371 A CA 1.262 53.328 52.037 0.048 0.000 0.620 371 A CB 0.037 19.099 19.000 0.103 0.000 0.819 371 A HN 0.333 nan 8.150 nan 0.000 0.442 372 R N 0.024 120.564 120.500 0.067 0.000 2.547 372 R HA 0.307 4.647 4.340 -0.001 0.000 0.280 372 R C -3.045 173.286 176.300 0.051 0.000 1.630 372 R CA -2.632 53.490 56.100 0.036 0.000 1.470 372 R CB 0.842 31.154 30.300 0.019 0.000 1.178 372 R HN 0.216 nan 8.270 nan 0.000 0.591 373 P HA 0.022 nan 4.420 nan 0.000 0.272 373 P C -0.698 176.644 177.300 0.070 0.000 1.240 373 P CA -0.251 62.883 63.100 0.057 0.000 0.791 373 P CB 0.697 32.413 31.700 0.027 0.000 0.978 374 H N 2.412 121.450 119.070 -0.054 0.000 2.764 374 H HA 0.095 4.651 4.556 -0.000 0.000 0.341 374 H C -1.013 174.173 175.328 -0.237 0.000 1.072 374 H CA -1.413 54.568 56.048 -0.113 0.000 1.444 374 H CB 0.703 30.361 29.762 -0.173 0.000 1.458 374 H HN 0.241 nan 8.280 nan 0.000 0.572 375 P HA -0.246 nan 4.420 nan 0.000 0.223 375 P C 0.840 178.062 177.300 -0.131 0.000 1.144 375 P CA 1.207 64.184 63.100 -0.204 0.000 0.783 375 P CB -0.018 31.407 31.700 -0.459 0.000 0.771 376 R N -0.125 120.193 120.500 -0.304 0.000 2.200 376 R HA -0.113 4.227 4.340 -0.001 0.000 0.234 376 R C 2.140 178.425 176.300 -0.026 0.000 1.127 376 R CA 0.878 56.792 56.100 -0.310 0.000 0.989 376 R CB -1.564 28.320 30.300 -0.693 0.000 0.869 376 R HN 0.149 nan 8.270 nan 0.000 0.459 377 L N -0.031 121.190 121.223 -0.003 0.000 2.079 377 L HA -0.079 4.261 4.340 -0.001 0.000 0.210 377 L C 1.147 178.065 176.870 0.079 0.000 1.081 377 L CA 1.714 56.571 54.840 0.029 0.000 0.752 377 L CB -0.279 41.783 42.059 0.006 0.000 0.896 377 L HN 0.232 nan 8.230 nan 0.000 0.433 378 W N -2.007 119.337 121.300 0.074 0.000 2.940 378 W HA 0.395 5.055 4.660 -0.000 0.000 0.297 378 W C 1.927 178.507 176.519 0.101 0.000 1.149 378 W CA 0.384 57.800 57.345 0.118 0.000 1.564 378 W CB 0.124 29.632 29.460 0.080 0.000 1.010 378 W HN 0.147 nan 8.180 nan 0.000 0.578 379 G N -1.293 107.687 108.800 0.300 0.000 3.441 379 G HA2 0.057 4.016 3.960 -0.001 0.000 0.263 379 G HA3 0.057 4.016 3.960 -0.001 0.000 0.263 379 G C 1.174 176.181 174.900 0.178 0.000 1.014 379 G CA 0.260 45.497 45.100 0.228 0.000 0.833 379 G HN -0.059 nan 8.290 nan 0.000 0.514 380 S N 0.885 116.713 115.700 0.213 0.000 2.365 380 S HA -0.144 4.325 4.470 -0.001 0.000 0.221 380 S C 1.868 176.341 174.600 -0.211 0.000 1.037 380 S CA 1.317 59.550 58.200 0.054 0.000 1.060 380 S CB -0.410 62.824 63.200 0.056 0.000 0.974 380 S HN 0.352 nan 8.310 nan 0.000 0.427 381 F N 1.805 121.680 119.950 -0.125 0.000 2.186 381 F HA -0.108 4.418 4.527 -0.000 0.000 0.299 381 F C 2.954 178.577 175.800 -0.295 0.000 1.090 381 F CA 1.342 59.187 58.000 -0.258 0.000 1.307 381 F CB -0.960 37.916 39.000 -0.207 0.000 1.019 381 F HN 0.296 nan 8.300 nan 0.000 0.489 382 T N -1.934 112.615 114.554 -0.009 0.000 3.023 382 T HA -0.117 4.232 4.350 -0.001 0.000 0.266 382 T C 1.929 176.541 174.700 -0.146 0.000 1.093 382 T CA 0.738 62.794 62.100 -0.073 0.000 1.129 382 T CB -0.355 68.512 68.868 -0.002 0.000 0.899 382 T HN 0.225 nan 8.240 nan 0.000 0.491 383 R N 0.696 121.070 120.500 -0.210 0.000 2.090 383 R HA 0.050 4.390 4.340 -0.001 0.000 0.228 383 R C 2.168 178.184 176.300 -0.474 0.000 1.110 383 R CA 0.790 56.697 56.100 -0.322 0.000 0.973 383 R CB -0.422 29.610 30.300 -0.447 0.000 0.869 383 R HN 0.308 nan 8.270 nan 0.000 0.440 384 V N 1.302 120.868 119.914 -0.580 0.000 2.307 384 V HA -0.238 3.882 4.120 -0.001 0.000 0.245 384 V C 2.315 178.239 176.094 -0.282 0.000 1.045 384 V CA 1.629 63.544 62.300 -0.642 0.000 1.024 384 V CB -0.355 31.037 31.823 -0.719 0.000 0.651 384 V HN 0.330 nan 8.190 nan 0.000 0.449 385 L N 0.177 121.252 121.223 -0.247 0.000 2.046 385 L HA -0.062 4.277 4.340 -0.001 0.000 0.208 385 L C 2.556 179.397 176.870 -0.048 0.000 1.077 385 L CA 1.850 56.607 54.840 -0.139 0.000 0.747 385 L CB -1.053 40.864 42.059 -0.237 0.000 0.896 385 L HN 0.476 nan 8.230 nan 0.000 0.432 386 G N -0.634 108.126 108.800 -0.068 0.000 2.408 386 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.213 386 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.213 386 G C 1.745 176.645 174.900 0.000 0.000 1.177 386 G CA -0.014 45.076 45.100 -0.016 0.000 0.802 386 G HN 0.121 nan 8.290 nan 0.000 0.533 387 R N -0.400 120.085 120.500 -0.025 0.000 2.087 387 R HA 0.163 4.503 4.340 -0.001 0.000 0.216 387 R C 2.201 178.613 176.300 0.187 0.000 1.114 387 R CA 0.480 56.610 56.100 0.050 0.000 1.002 387 R CB -1.108 29.201 30.300 0.014 0.000 0.903 387 R HN 0.355 nan 8.270 nan 0.000 0.445 388 Y N 0.929 121.160 120.300 -0.115 0.000 2.220 388 Y HA -0.015 4.535 4.550 -0.000 0.000 0.291 388 Y C 2.485 178.385 175.900 -0.001 0.000 1.129 388 Y CA 0.094 58.148 58.100 -0.077 0.000 1.161 388 Y CB -0.643 37.717 38.460 -0.166 0.000 0.997 388 Y HN -0.259 nan 8.280 nan 0.000 0.522 389 V N -0.392 119.620 119.914 0.164 0.000 2.326 389 V HA -0.118 4.002 4.120 -0.001 0.000 0.238 389 V C 2.452 178.595 176.094 0.081 0.000 1.038 389 V CA 1.621 63.994 62.300 0.121 0.000 1.032 389 V CB -0.534 31.355 31.823 0.110 0.000 0.675 389 V HN 0.116 nan 8.190 nan 0.000 0.467 390 R N 0.013 120.555 120.500 0.069 0.000 2.066 390 R HA -0.158 4.182 4.340 -0.001 0.000 0.232 390 R C 2.268 178.594 176.300 0.042 0.000 1.131 390 R CA 1.985 58.118 56.100 0.054 0.000 0.955 390 R CB -0.117 30.216 30.300 0.055 0.000 0.851 390 R HN 0.615 nan 8.270 nan 0.000 0.432 391 E N -0.640 119.586 120.200 0.044 0.000 2.051 391 E HA -0.086 4.264 4.350 -0.001 0.000 0.189 391 E C 1.676 178.291 176.600 0.024 0.000 0.979 391 E CA 1.077 57.497 56.400 0.033 0.000 0.803 391 E CB 0.047 29.768 29.700 0.035 0.000 0.761 391 E HN 0.429 nan 8.360 nan 0.000 0.451 392 A N 0.408 123.245 122.820 0.029 0.000 2.147 392 A HA 0.074 4.394 4.320 -0.001 0.000 0.211 392 A C 1.111 178.694 177.584 -0.001 0.000 1.160 392 A CA 0.037 52.073 52.037 -0.003 0.000 0.781 392 A CB 0.037 19.009 19.000 -0.047 0.000 0.842 392 A HN 0.184 nan 8.150 nan 0.000 0.475 393 R N -0.744 119.770 120.500 0.024 0.000 3.422 393 R HA -0.172 4.168 4.340 -0.001 0.000 0.267 393 R C 0.055 176.364 176.300 0.015 0.000 1.074 393 R CA 0.531 56.645 56.100 0.023 0.000 0.718 393 R CB -2.121 28.184 30.300 0.009 0.000 1.157 393 R HN 0.571 nan 8.270 nan 0.000 0.440 394 L N -0.338 120.903 121.223 0.030 0.000 2.201 394 L HA -0.024 4.316 4.340 -0.001 0.000 0.212 394 L C 1.471 178.351 176.870 0.017 0.000 1.105 394 L CA 1.733 56.582 54.840 0.016 0.000 0.775 394 L CB -0.203 41.884 42.059 0.047 0.000 0.913 394 L HN 0.478 nan 8.230 nan 0.000 0.440 395 M N -3.231 116.398 119.600 0.047 0.000 3.012 395 M HA 0.347 4.827 4.480 -0.001 0.000 0.272 395 M C -0.421 175.909 176.300 0.050 0.000 1.187 395 M CA -0.879 54.435 55.300 0.024 0.000 0.813 395 M CB 1.459 34.055 32.600 -0.007 0.000 1.626 395 M HN -0.173 nan 8.290 nan 0.000 0.507 396 T N -0.714 113.864 114.554 0.039 0.000 2.828 396 T HA 0.344 4.693 4.350 -0.001 0.000 0.290 396 T C 0.751 175.501 174.700 0.083 0.000 1.019 396 T CA -0.620 61.511 62.100 0.052 0.000 1.031 396 T CB 1.123 70.014 68.868 0.038 0.000 1.001 396 T HN 0.694 nan 8.240 nan 0.000 0.531 397 L N 0.714 121.995 121.223 0.098 0.000 2.083 397 L HA 0.043 4.383 4.340 -0.001 0.000 0.209 397 L C 2.488 179.451 176.870 0.156 0.000 1.083 397 L CA 1.827 56.756 54.840 0.147 0.000 0.752 397 L CB -1.179 40.984 42.059 0.174 0.000 0.899 397 L HN 0.827 nan 8.230 nan 0.000 0.433 398 E N -0.655 119.617 120.200 0.121 0.000 2.085 398 E HA -0.247 4.103 4.350 -0.001 0.000 0.194 398 E C 2.222 178.885 176.600 0.105 0.000 0.994 398 E CA 1.589 58.060 56.400 0.119 0.000 0.801 398 E CB -0.192 29.562 29.700 0.090 0.000 0.743 398 E HN 0.617 nan 8.360 nan 0.000 0.453 399 Q N -0.281 119.565 119.800 0.077 0.000 2.079 399 Q HA -0.048 4.292 4.340 -0.001 0.000 0.200 399 Q C 2.255 178.295 176.000 0.067 0.000 0.974 399 Q CA 1.228 57.061 55.803 0.050 0.000 0.840 399 Q CB -0.156 28.588 28.738 0.011 0.000 0.898 399 Q HN 0.303 nan 8.270 nan 0.000 0.430 400 A N 0.458 123.341 122.820 0.105 0.000 1.902 400 A HA -0.140 4.179 4.320 -0.001 0.000 0.217 400 A C 2.337 180.000 177.584 0.132 0.000 1.181 400 A CA 1.314 53.444 52.037 0.155 0.000 0.623 400 A CB -0.763 18.343 19.000 0.177 0.000 0.818 400 A HN 0.209 nan 8.150 nan 0.000 0.443 401 V N -0.048 119.958 119.914 0.153 0.000 2.392 401 V HA -0.275 3.844 4.120 -0.001 0.000 0.249 401 V C 3.033 179.247 176.094 0.199 0.000 1.059 401 V CA 1.921 64.345 62.300 0.207 0.000 1.051 401 V CB -1.215 30.793 31.823 0.309 0.000 0.658 401 V HN 0.625 nan 8.190 nan 0.000 0.455 402 A N -0.066 122.847 122.820 0.156 0.000 1.933 402 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 402 A C 2.289 179.954 177.584 0.136 0.000 1.175 402 A CA 1.394 53.513 52.037 0.136 0.000 0.628 402 A CB -0.420 18.636 19.000 0.093 0.000 0.814 402 A HN 0.414 nan 8.150 nan 0.000 0.444 403 R N -0.528 120.045 120.500 0.122 0.000 2.152 403 R HA -0.001 4.338 4.340 -0.001 0.000 0.232 403 R C 1.664 178.080 176.300 0.194 0.000 1.117 403 R CA 1.425 57.605 56.100 0.133 0.000 0.981 403 R CB -0.648 29.726 30.300 0.123 0.000 0.870 403 R HN 0.688 nan 8.270 nan 0.000 0.451 404 M N -0.667 119.056 119.600 0.205 0.000 2.441 404 M HA 0.042 4.522 4.480 -0.001 0.000 0.244 404 M C 1.319 177.815 176.300 0.325 0.000 1.122 404 M CA 0.932 56.404 55.300 0.286 0.000 1.041 404 M CB 0.377 33.074 32.600 0.161 0.000 1.438 404 M HN 0.132 nan 8.290 nan 0.000 0.484 405 T N -2.701 112.018 114.554 0.274 0.000 3.429 405 T HA 0.383 4.733 4.350 -0.001 0.000 0.212 405 T C 1.898 176.728 174.700 0.218 0.000 0.980 405 T CA 0.412 62.666 62.100 0.257 0.000 1.201 405 T CB -0.506 68.516 68.868 0.258 0.000 1.289 405 T HN 0.082 nan 8.240 nan 0.000 0.346 406 A N 1.403 124.332 122.820 0.182 0.000 1.908 406 A HA 0.118 4.438 4.320 -0.001 0.000 0.218 406 A C 2.373 180.042 177.584 0.142 0.000 1.181 406 A CA 1.865 53.992 52.037 0.150 0.000 0.627 406 A CB -1.133 17.938 19.000 0.119 0.000 0.818 406 A HN 0.482 nan 8.150 nan 0.000 0.445 407 L N 0.402 121.708 121.223 0.138 0.000 1.994 407 L HA -0.041 4.299 4.340 -0.001 0.000 0.208 407 L C -0.720 176.245 176.870 0.157 0.000 1.071 407 L CA 2.393 57.305 54.840 0.120 0.000 0.745 407 L CB -1.348 40.776 42.059 0.109 0.000 0.892 407 L HN 0.138 nan 8.230 nan 0.000 0.431 408 P HA -0.158 nan 4.420 nan 0.000 0.215 408 P C 1.585 179.060 177.300 0.292 0.000 1.153 408 P CA 2.114 65.413 63.100 0.332 0.000 0.853 408 P CB -0.212 31.686 31.700 0.332 0.000 0.788 409 A N -0.288 122.692 122.820 0.265 0.000 1.933 409 A HA -0.233 4.086 4.320 -0.001 0.000 0.218 409 A C 2.378 180.000 177.584 0.062 0.000 1.175 409 A CA 2.035 54.213 52.037 0.236 0.000 0.628 409 A CB -1.036 18.134 19.000 0.283 0.000 0.814 409 A HN 0.027 nan 8.150 nan 0.000 0.444 410 R N -0.252 120.288 120.500 0.066 0.000 2.073 410 R HA -0.018 4.321 4.340 -0.001 0.000 0.229 410 R C 1.738 178.002 176.300 -0.061 0.000 1.120 410 R CA 2.031 58.139 56.100 0.012 0.000 0.967 410 R CB -1.007 29.308 30.300 0.026 0.000 0.862 410 R HN 0.220 nan 8.270 nan 0.000 0.436 411 V N 0.109 119.980 119.914 -0.072 0.000 2.358 411 V HA -0.122 3.998 4.120 -0.001 0.000 0.246 411 V C 1.603 177.424 176.094 -0.455 0.000 1.047 411 V CA 1.747 63.905 62.300 -0.238 0.000 1.035 411 V CB -0.500 31.175 31.823 -0.247 0.000 0.658 411 V HN 0.228 nan 8.190 nan 0.000 0.452 412 F N 0.280 120.017 119.950 -0.357 0.000 2.776 412 F HA 0.427 4.953 4.527 -0.001 0.000 0.300 412 F C 1.727 177.139 175.800 -0.646 0.000 1.116 412 F CA 0.697 58.345 58.000 -0.588 0.000 1.375 412 F CB -0.116 38.282 39.000 -1.003 0.000 1.109 412 F HN 0.263 nan 8.300 nan 0.000 0.585 413 G N 0.713 109.324 108.800 -0.314 0.000 2.289 413 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.280 413 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.280 413 G C -0.369 174.526 174.900 -0.009 0.000 1.089 413 G CA -0.569 44.452 45.100 -0.132 0.000 0.939 413 G HN 0.117 nan 8.290 nan 0.000 0.499 414 F N 1.106 121.132 119.950 0.126 0.000 2.377 414 F HA 0.655 5.182 4.527 -0.001 0.000 0.360 414 F C 0.976 176.837 175.800 0.102 0.000 1.147 414 F CA -1.181 56.878 58.000 0.099 0.000 1.170 414 F CB 0.633 39.684 39.000 0.084 0.000 1.339 414 F HN 0.465 nan 8.300 nan 0.000 0.552 415 A N 2.647 125.636 122.820 0.282 0.000 2.462 415 A HA 0.363 4.683 4.320 -0.001 0.000 0.243 415 A C 0.936 178.663 177.584 0.238 0.000 1.076 415 A CA -0.241 51.918 52.037 0.204 0.000 0.773 415 A CB 0.064 19.160 19.000 0.159 0.000 1.010 415 A HN 0.732 nan 8.150 nan 0.000 0.493 416 E N -0.241 120.063 120.200 0.174 0.000 2.586 416 E HA -0.187 4.163 4.350 -0.001 0.000 0.259 416 E C -0.152 176.595 176.600 0.245 0.000 1.107 416 E CA 1.518 58.009 56.400 0.151 0.000 0.754 416 E CB -1.414 28.322 29.700 0.059 0.000 1.335 416 E HN 0.780 nan 8.360 nan 0.000 0.411 417 R N -1.556 119.079 120.500 0.225 0.000 2.799 417 R HA 0.537 4.877 4.340 -0.001 0.000 0.270 417 R C 0.959 177.368 176.300 0.182 0.000 1.010 417 R CA -0.371 55.848 56.100 0.199 0.000 0.916 417 R CB 1.588 31.980 30.300 0.154 0.000 1.228 417 R HN 0.099 nan 8.270 nan 0.000 0.469 418 G N -0.252 108.640 108.800 0.153 0.000 2.179 418 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.260 418 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.260 418 G C -0.263 174.723 174.900 0.143 0.000 0.977 418 G CA 0.316 45.517 45.100 0.167 0.000 0.641 418 G HN 0.772 nan 8.290 nan 0.000 0.533 419 V N -2.859 117.125 119.914 0.117 0.000 3.048 419 V HA 0.764 4.884 4.120 -0.001 0.000 0.303 419 V C 0.030 176.168 176.094 0.073 0.000 1.214 419 V CA -1.501 60.857 62.300 0.097 0.000 0.984 419 V CB 2.028 33.902 31.823 0.085 0.000 1.054 419 V HN 0.344 nan 8.190 nan 0.000 0.430 420 L N 4.493 125.756 121.223 0.066 0.000 2.288 420 L HA 0.632 4.971 4.340 -0.001 0.000 0.283 420 L C 0.044 176.930 176.870 0.028 0.000 1.072 420 L CA 0.031 54.897 54.840 0.043 0.000 0.862 420 L CB 0.508 42.595 42.059 0.047 0.000 1.245 420 L HN 0.991 nan 8.230 nan 0.000 0.432 421 Q N 2.842 122.649 119.800 0.013 0.000 2.435 421 Q HA 0.573 4.913 4.340 -0.001 0.000 0.282 421 Q C -2.930 173.056 176.000 -0.024 0.000 1.020 421 Q CA -2.354 53.448 55.803 -0.001 0.000 0.820 421 Q CB 1.916 30.659 28.738 0.007 0.000 1.436 421 Q HN 0.100 nan 8.270 nan 0.000 0.395 422 P HA 0.070 nan 4.420 nan 0.000 0.265 422 P C 0.622 177.879 177.300 -0.072 0.000 1.193 422 P CA 1.947 65.016 63.100 -0.051 0.000 0.765 422 P CB 0.538 32.212 31.700 -0.043 0.000 0.823 423 G N 1.613 110.348 108.800 -0.109 0.000 2.258 423 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.233 423 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.233 423 G C 0.467 175.230 174.900 -0.229 0.000 1.006 423 G CA 0.020 45.024 45.100 -0.161 0.000 0.620 423 G HN 0.848 nan 8.290 nan 0.000 0.511 424 A N -0.224 122.505 122.820 -0.152 0.000 2.332 424 A HA 0.560 4.880 4.320 -0.001 0.000 0.258 424 A C 0.253 177.739 177.584 -0.163 0.000 1.087 424 A CA -0.006 51.953 52.037 -0.131 0.000 0.802 424 A CB 0.200 19.195 19.000 -0.009 0.000 1.042 424 A HN 0.683 nan 8.150 nan 0.000 0.489 425 W N 0.125 121.404 121.300 -0.035 0.000 2.193 425 W HA 0.363 5.022 4.660 -0.001 0.000 0.338 425 W C 0.891 177.369 176.519 -0.068 0.000 1.310 425 W CA 0.542 57.851 57.345 -0.059 0.000 1.243 425 W CB 0.657 30.071 29.460 -0.078 0.000 1.165 425 W HN 0.756 nan 8.180 nan 0.000 0.566 426 A N 3.528 126.455 122.820 0.178 0.000 3.077 426 A HA 0.087 4.407 4.320 -0.001 0.000 0.255 426 A C -0.539 177.046 177.584 0.002 0.000 1.728 426 A CA -0.240 51.824 52.037 0.044 0.000 1.383 426 A CB -0.914 18.077 19.000 -0.015 0.000 1.097 426 A HN 0.452 nan 8.150 nan 0.000 0.634 427 D N 0.858 121.267 120.400 0.014 0.000 2.347 427 D HA 0.444 5.083 4.640 -0.001 0.000 0.235 427 D C -0.385 175.878 176.300 -0.063 0.000 1.149 427 D CA 0.374 54.342 54.000 -0.054 0.000 0.850 427 D CB 1.516 42.278 40.800 -0.064 0.000 1.061 427 D HN 0.134 nan 8.370 nan 0.000 0.487 428 V N 1.995 121.855 119.914 -0.089 0.000 2.925 428 V HA 0.508 4.628 4.120 -0.001 0.000 0.311 428 V C -0.370 175.681 176.094 -0.071 0.000 1.104 428 V CA -0.982 61.278 62.300 -0.066 0.000 0.954 428 V CB 2.685 34.482 31.823 -0.044 0.000 1.022 428 V HN 0.227 nan 8.190 nan 0.000 0.427 429 V N 4.330 124.195 119.914 -0.081 0.000 2.638 429 V HA 0.733 4.853 4.120 -0.001 0.000 0.306 429 V C -1.070 175.074 176.094 0.084 0.000 1.052 429 V CA -0.306 61.943 62.300 -0.086 0.000 0.885 429 V CB 2.250 33.819 31.823 -0.424 0.000 0.999 429 V HN 0.670 nan 8.190 nan 0.000 0.424 430 V N 8.097 128.081 119.914 0.116 0.000 2.448 430 V HA 0.678 4.798 4.120 -0.001 0.000 0.295 430 V C -0.465 175.728 176.094 0.165 0.000 1.025 430 V CA -0.415 61.942 62.300 0.095 0.000 0.859 430 V CB 1.148 33.006 31.823 0.058 0.000 0.988 430 V HN 0.865 nan 8.190 nan 0.000 0.431 431 F N 1.237 121.209 119.950 0.037 0.000 2.645 431 F HA 0.673 5.199 4.527 -0.001 0.000 0.310 431 F C -0.808 175.031 175.800 0.065 0.000 1.102 431 F CA -1.187 56.842 58.000 0.049 0.000 0.952 431 F CB 1.590 40.638 39.000 0.081 0.000 1.326 431 F HN 0.393 nan 8.300 nan 0.000 0.456 432 D N 4.177 124.711 120.400 0.222 0.000 2.339 432 D HA 0.258 4.898 4.640 -0.001 0.000 0.241 432 D C -1.624 174.822 176.300 0.243 0.000 1.183 432 D CA -2.391 51.681 54.000 0.120 0.000 0.859 432 D CB 1.800 42.663 40.800 0.106 0.000 1.067 432 D HN 0.366 nan 8.370 nan 0.000 0.484 433 P HA -0.110 nan 4.420 nan 0.000 0.220 433 P C 0.425 177.821 177.300 0.159 0.000 1.148 433 P CA 0.793 64.036 63.100 0.239 0.000 0.803 433 P CB 0.644 32.398 31.700 0.091 0.000 0.782 434 D N -0.684 119.773 120.400 0.094 0.000 2.289 434 D HA -0.045 4.594 4.640 -0.001 0.000 0.207 434 D C 1.900 178.244 176.300 0.072 0.000 0.966 434 D CA 1.642 55.681 54.000 0.065 0.000 0.868 434 D CB -0.329 40.492 40.800 0.036 0.000 0.943 434 D HN 0.339 nan 8.370 nan 0.000 0.514 435 T N -2.458 112.151 114.554 0.092 0.000 2.971 435 T HA 0.108 4.458 4.350 -0.001 0.000 0.252 435 T C 0.964 175.719 174.700 0.092 0.000 1.022 435 T CA -0.290 61.858 62.100 0.081 0.000 0.980 435 T CB -0.037 68.874 68.868 0.073 0.000 1.044 435 T HN -0.087 nan 8.240 nan 0.000 0.501 436 V N 2.612 122.608 119.914 0.137 0.000 2.584 436 V HA 0.483 4.602 4.120 -0.001 0.000 0.303 436 V C 0.049 176.172 176.094 0.049 0.000 1.035 436 V CA 0.676 63.044 62.300 0.114 0.000 1.172 436 V CB -0.527 31.386 31.823 0.151 0.000 0.896 436 V HN 0.928 nan 8.190 nan 0.000 0.486 437 A N 5.437 128.275 122.820 0.030 0.000 2.590 437 A HA 0.572 4.892 4.320 -0.001 0.000 0.294 437 A C -0.898 176.694 177.584 0.013 0.000 1.046 437 A CA -0.400 51.641 52.037 0.006 0.000 0.684 437 A CB 1.049 20.057 19.000 0.014 0.000 1.279 437 A HN 0.943 nan 8.150 nan 0.000 0.415 438 D N 0.561 120.958 120.400 -0.004 0.000 2.339 438 D HA 0.413 5.053 4.640 -0.001 0.000 0.245 438 D C 0.162 176.475 176.300 0.021 0.000 1.115 438 D CA -0.400 53.615 54.000 0.024 0.000 0.917 438 D CB 1.247 42.055 40.800 0.013 0.000 1.192 438 D HN 0.422 nan 8.370 nan 0.000 0.428 439 R N 0.046 120.566 120.500 0.032 0.000 2.469 439 R HA 0.238 4.578 4.340 -0.001 0.000 0.250 439 R C 0.077 176.364 176.300 -0.021 0.000 0.909 439 R CA -0.302 55.801 56.100 0.005 0.000 1.050 439 R CB 0.171 30.475 30.300 0.007 0.000 1.256 439 R HN 0.614 nan 8.270 nan 0.000 0.550 440 A N 2.091 124.907 122.820 -0.007 0.000 2.492 440 A HA 0.306 4.626 4.320 -0.001 0.000 0.254 440 A C 0.606 178.121 177.584 -0.114 0.000 1.091 440 A CA 0.358 52.363 52.037 -0.054 0.000 0.768 440 A CB 0.006 19.018 19.000 0.020 0.000 1.028 440 A HN 0.282 nan 8.150 nan 0.000 0.498 441 T N -1.273 113.191 114.554 -0.150 0.000 2.910 441 T HA 0.463 4.813 4.350 -0.001 0.000 0.287 441 T C 0.609 175.167 174.700 -0.238 0.000 1.050 441 T CA -0.529 61.443 62.100 -0.215 0.000 1.011 441 T CB 0.547 69.374 68.868 -0.069 0.000 1.195 441 T HN 0.613 nan 8.240 nan 0.000 0.540 442 W N 0.409 121.710 121.300 0.003 0.000 2.342 442 W HA -0.007 4.653 4.660 -0.000 0.000 0.297 442 W C 1.914 178.405 176.519 -0.047 0.000 1.213 442 W CA 0.979 58.309 57.345 -0.024 0.000 1.251 442 W CB -0.315 29.156 29.460 0.018 0.000 1.136 442 W HN 0.683 nan 8.180 nan 0.000 0.526 443 D N -0.593 119.897 120.400 0.151 0.000 2.162 443 D HA -0.057 4.582 4.640 -0.001 0.000 0.203 443 D C 0.214 176.513 176.300 -0.001 0.000 0.967 443 D CA 1.176 55.210 54.000 0.056 0.000 0.840 443 D CB -0.207 40.619 40.800 0.043 0.000 0.972 443 D HN 0.280 nan 8.370 nan 0.000 0.482 444 E N 0.884 121.067 120.200 -0.028 0.000 2.916 444 E HA 0.122 4.472 4.350 -0.001 0.000 0.217 444 E C -1.917 174.614 176.600 -0.115 0.000 1.100 444 E CA -1.272 55.084 56.400 -0.074 0.000 0.891 444 E CB 1.910 31.565 29.700 -0.076 0.000 1.311 444 E HN 0.076 nan 8.360 nan 0.000 0.421 445 P HA -0.105 nan 4.420 nan 0.000 0.242 445 P C 0.916 178.105 177.300 -0.185 0.000 1.197 445 P CA 0.950 63.979 63.100 -0.118 0.000 0.765 445 P CB 0.144 31.808 31.700 -0.060 0.000 0.936 446 T N -3.910 110.416 114.554 -0.381 0.000 3.085 446 T HA 0.241 4.591 4.350 -0.001 0.000 0.264 446 T C 0.684 174.733 174.700 -1.085 0.000 1.019 446 T CA -0.358 61.150 62.100 -0.988 0.000 0.910 446 T CB -0.596 67.827 68.868 -0.741 0.000 1.059 446 T HN -0.077 nan 8.240 nan 0.000 0.542 447 L N 2.429 123.346 121.223 -0.510 0.000 2.455 447 L HA 0.499 4.839 4.340 -0.001 0.000 0.272 447 L C 1.015 177.746 176.870 -0.231 0.000 1.174 447 L CA -0.700 53.941 54.840 -0.332 0.000 0.869 447 L CB 0.180 42.144 42.059 -0.159 0.000 1.130 447 L HN 0.297 nan 8.230 nan 0.000 0.474 448 A N 3.412 126.150 122.820 -0.137 0.000 2.351 448 A HA 0.431 4.751 4.320 -0.001 0.000 0.257 448 A C 0.452 178.120 177.584 0.140 0.000 1.087 448 A CA -0.390 51.736 52.037 0.148 0.000 0.798 448 A CB 0.405 19.545 19.000 0.233 0.000 1.033 448 A HN 0.738 nan 8.150 nan 0.000 0.488 449 S N -0.912 114.896 115.700 0.180 0.000 2.596 449 S HA 0.417 4.886 4.470 -0.001 0.000 0.260 449 S C 0.373 175.032 174.600 0.099 0.000 1.336 449 S CA 0.068 58.333 58.200 0.109 0.000 0.993 449 S CB 0.751 64.000 63.200 0.081 0.000 0.923 449 S HN 1.406 nan 8.310 nan 0.000 0.567 450 V N -2.131 117.830 119.914 0.078 0.000 2.960 450 V HA 0.951 5.071 4.120 -0.001 0.000 0.315 450 V C 0.846 176.994 176.094 0.090 0.000 1.087 450 V CA -0.157 62.195 62.300 0.088 0.000 0.982 450 V CB 0.599 32.463 31.823 0.069 0.000 1.039 450 V HN 1.263 nan 8.190 nan 0.000 0.437 451 G N 1.652 110.517 108.800 0.108 0.000 2.195 451 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.246 451 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.246 451 G C -0.114 174.889 174.900 0.172 0.000 0.984 451 G CA 0.143 45.325 45.100 0.136 0.000 0.633 451 G HN 0.836 nan 8.290 nan 0.000 0.525 452 I N 1.834 122.482 120.570 0.130 0.000 2.301 452 I HA 0.546 4.716 4.170 -0.001 0.000 0.292 452 I C 1.489 177.722 176.117 0.192 0.000 1.046 452 I CA 0.378 61.738 61.300 0.100 0.000 1.282 452 I CB 0.655 38.564 38.000 -0.153 0.000 1.409 452 I HN 0.193 nan 8.210 nan 0.000 0.484 453 A N 5.311 128.204 122.820 0.122 0.000 1.943 453 A HA 0.516 4.836 4.320 -0.001 0.000 0.213 453 A C 1.037 178.547 177.584 -0.123 0.000 1.181 453 A CA 0.826 52.868 52.037 0.008 0.000 0.653 453 A CB 0.084 19.035 19.000 -0.082 0.000 0.833 453 A HN 0.768 nan 8.150 nan 0.000 0.451 454 G N -2.073 106.663 108.800 -0.106 0.000 2.667 454 G HA2 0.503 4.463 3.960 -0.001 0.000 0.294 454 G HA3 0.503 4.463 3.960 -0.001 0.000 0.294 454 G C -1.843 173.128 174.900 0.118 0.000 1.467 454 G CA -0.196 44.757 45.100 -0.246 0.000 0.852 454 G HN 0.497 nan 8.290 nan 0.000 0.521 455 V N 1.205 121.315 119.914 0.326 0.000 2.686 455 V HA 0.591 4.710 4.120 -0.001 0.000 0.306 455 V C -0.381 175.821 176.094 0.181 0.000 1.065 455 V CA -0.638 61.773 62.300 0.186 0.000 0.894 455 V CB 1.720 33.564 31.823 0.035 0.000 1.004 455 V HN 0.696 nan 8.190 nan 0.000 0.424 456 L N 4.419 125.650 121.223 0.012 0.000 2.346 456 L HA 0.732 5.072 4.340 -0.001 0.000 0.276 456 L C -0.886 175.908 176.870 -0.128 0.000 1.006 456 L CA -0.927 53.829 54.840 -0.140 0.000 0.817 456 L CB 2.239 44.099 42.059 -0.331 0.000 1.272 456 L HN 0.359 nan 8.230 nan 0.000 0.421 457 V N 2.276 122.112 119.914 -0.130 0.000 2.376 457 V HA 0.247 4.367 4.120 -0.001 0.000 0.287 457 V C 0.077 176.098 176.094 -0.121 0.000 1.015 457 V CA -0.585 61.632 62.300 -0.139 0.000 0.834 457 V CB 1.114 32.844 31.823 -0.156 0.000 1.001 457 V HN 0.952 nan 8.190 nan 0.000 0.428 458 N N 4.110 122.761 118.700 -0.082 0.000 2.721 458 N HA -0.233 4.507 4.740 -0.001 0.000 0.249 458 N C 1.124 176.656 175.510 0.037 0.000 1.072 458 N CA 0.724 53.788 53.050 0.024 0.000 0.710 458 N CB -0.793 37.629 38.487 -0.109 0.000 0.993 458 N HN 1.355 nan 8.380 nan 0.000 0.547 459 G N -2.080 106.696 108.800 -0.041 0.000 2.179 459 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.260 459 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.260 459 G C 0.133 174.946 174.900 -0.145 0.000 0.977 459 G CA 0.430 45.473 45.100 -0.096 0.000 0.641 459 G HN 1.010 nan 8.290 nan 0.000 0.533 460 A N 0.050 122.795 122.820 -0.124 0.000 2.317 460 A HA 0.732 5.051 4.320 -0.001 0.000 0.327 460 A C 0.196 177.700 177.584 -0.135 0.000 1.178 460 A CA 0.266 52.242 52.037 -0.101 0.000 0.817 460 A CB 0.908 19.878 19.000 -0.051 0.000 1.189 460 A HN 0.610 nan 8.150 nan 0.000 0.489 461 E N 1.236 121.372 120.200 -0.107 0.000 2.376 461 E HA 0.248 4.597 4.350 -0.001 0.000 0.266 461 E C 0.527 177.153 176.600 0.043 0.000 1.009 461 E CA 0.288 56.691 56.400 0.005 0.000 0.902 461 E CB 0.620 30.413 29.700 0.156 0.000 0.972 461 E HN 0.669 nan 8.360 nan 0.000 0.439 462 V N 2.379 122.344 119.914 0.085 0.000 3.562 462 V HA 0.407 4.527 4.120 -0.001 0.000 0.270 462 V C -0.111 176.076 176.094 0.154 0.000 1.418 462 V CA -0.296 62.043 62.300 0.066 0.000 1.033 462 V CB -0.001 31.826 31.823 0.007 0.000 0.820 462 V HN 0.513 nan 8.190 nan 0.000 0.441 463 F N 2.052 122.024 119.950 0.037 0.000 2.581 463 F HA 0.753 5.280 4.527 -0.001 0.000 0.311 463 F C -2.452 173.372 175.800 0.039 0.000 1.113 463 F CA -1.782 56.230 58.000 0.020 0.000 0.935 463 F CB 2.868 41.854 39.000 -0.022 0.000 1.232 463 F HN -0.211 nan 8.300 nan 0.000 0.445 464 P HA -0.105 nan 4.420 nan 0.000 0.225 464 P C -0.361 176.641 177.300 -0.497 0.000 1.156 464 P CA 0.852 63.215 63.100 -1.228 0.000 0.787 464 P CB 0.340 31.475 31.700 -0.943 0.000 0.802 465 Q N 1.310 120.993 119.800 -0.195 0.000 2.368 465 Q HA 0.407 4.746 4.340 -0.001 0.000 0.256 465 Q C -2.605 173.386 176.000 -0.015 0.000 0.980 465 Q CA -2.862 52.893 55.803 -0.079 0.000 0.887 465 Q CB 0.943 29.665 28.738 -0.027 0.000 1.221 465 Q HN 0.021 nan 8.270 nan 0.000 0.458 466 P HA 0.179 nan 4.420 nan 0.000 0.272 466 P C -2.533 174.769 177.300 0.004 0.000 1.230 466 P CA -1.022 62.083 63.100 0.008 0.000 0.788 466 P CB 0.065 31.771 31.700 0.010 0.000 0.949 467 P HA 0.019 nan 4.420 nan 0.000 0.269 467 P C 0.116 177.416 177.300 -0.001 0.000 1.209 467 P CA 0.070 63.168 63.100 -0.004 0.000 0.776 467 P CB 0.703 32.394 31.700 -0.014 0.000 0.876 468 A N 3.114 125.935 122.820 0.002 0.000 1.898 468 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 468 A C 1.123 178.710 177.584 0.004 0.000 1.181 468 A CA 2.190 54.230 52.037 0.005 0.000 0.620 468 A CB -0.837 18.167 19.000 0.007 0.000 0.819 468 A HN 0.726 nan 8.150 nan 0.000 0.442 469 D N -2.381 118.019 120.400 0.000 0.000 3.505 469 D HA 0.407 5.046 4.640 -0.001 0.000 0.197 469 D C 1.103 177.398 176.300 -0.009 0.000 1.138 469 D CA 0.135 54.134 54.000 -0.001 0.000 1.372 469 D CB -0.948 39.852 40.800 -0.000 0.000 0.945 469 D HN 0.244 nan 8.370 nan 0.000 0.175 470 G N 0.072 108.864 108.800 -0.013 0.000 2.265 470 G HA2 0.230 4.189 3.960 -0.001 0.000 0.240 470 G HA3 0.230 4.189 3.960 -0.001 0.000 0.240 470 G C -0.163 174.715 174.900 -0.036 0.000 1.270 470 G CA -0.216 44.869 45.100 -0.026 0.000 0.901 470 G HN 0.219 nan 8.290 nan 0.000 0.507 471 R N 3.257 123.726 120.500 -0.051 0.000 2.500 471 R HA 0.235 4.574 4.340 -0.001 0.000 0.275 471 R C -1.249 174.993 176.300 -0.097 0.000 1.051 471 R CA -1.521 54.539 56.100 -0.068 0.000 1.088 471 R CB 1.440 31.698 30.300 -0.071 0.000 1.063 471 R HN 0.423 nan 8.270 nan 0.000 0.511 472 P HA -0.010 nan 4.420 nan 0.000 0.236 472 P C 0.382 177.559 177.300 -0.205 0.000 1.177 472 P CA 0.306 63.324 63.100 -0.136 0.000 0.773 472 P CB 0.327 31.960 31.700 -0.111 0.000 0.878 473 G N 0.607 109.272 108.800 -0.225 0.000 2.491 473 G HA2 0.166 4.126 3.960 -0.001 0.000 0.238 473 G HA3 0.166 4.126 3.960 -0.001 0.000 0.238 473 G C -0.504 174.180 174.900 -0.360 0.000 1.277 473 G CA -0.157 44.760 45.100 -0.304 0.000 0.851 473 G HN 0.224 nan 8.290 nan 0.000 0.573 474 Q N -0.338 119.196 119.800 -0.444 0.000 2.387 474 Q HA 0.435 4.775 4.340 -0.001 0.000 0.273 474 Q C -0.749 174.936 176.000 -0.525 0.000 1.089 474 Q CA -0.950 54.568 55.803 -0.476 0.000 0.824 474 Q CB 2.966 31.367 28.738 -0.562 0.000 1.367 474 Q HN 0.348 nan 8.270 nan 0.000 0.443 475 V N 3.048 122.639 119.914 -0.538 0.000 2.455 475 V HA 0.101 4.221 4.120 -0.001 0.000 0.273 475 V C -0.026 175.722 176.094 -0.577 0.000 1.045 475 V CA -0.098 61.799 62.300 -0.671 0.000 0.976 475 V CB 0.305 31.622 31.823 -0.843 0.000 0.993 475 V HN 0.570 nan 8.190 nan 0.000 0.475 476 L N 6.880 127.788 121.223 -0.524 0.000 2.387 476 L HA 0.388 4.728 4.340 -0.001 0.000 0.267 476 L C 0.739 177.484 176.870 -0.209 0.000 1.197 476 L CA -0.155 54.471 54.840 -0.356 0.000 1.070 476 L CB -0.356 41.457 42.059 -0.411 0.000 1.349 476 L HN 0.555 nan 8.230 nan 0.000 0.422 477 R N 1.937 122.312 120.500 -0.209 0.000 2.370 477 R HA 0.406 4.746 4.340 -0.001 0.000 0.309 477 R C 0.546 176.888 176.300 0.071 0.000 1.059 477 R CA -0.253 55.816 56.100 -0.053 0.000 0.981 477 R CB 0.991 31.261 30.300 -0.049 0.000 0.972 477 R HN 0.638 nan 8.270 nan 0.000 0.437 478 A N 0.000 122.910 122.820 0.149 0.000 2.254 478 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 478 A CA 0.000 52.129 52.037 0.154 0.000 0.836 478 A CB 0.000 19.105 19.000 0.174 0.000 0.831 478 A HN 0.000 nan 8.150 nan 0.000 0.486