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 2d4e_1_A DATA FIRST_RESID 3 DATA SEQUENCE YADRVAGISW ETIEEVRRRL KERPALHFIA GEFVPSESGE TFPSLDPATN DATA SEQUENCE EVLGVAARGG EREVDRAAKA AHEAFQRWSR TKAKERKRYL LRIAELIEKH DATA SEQUENCE ADELAVMECL DAGQVLRIVR AQVARAAENF AFYAEYAEHA MEDRTFPVDR DATA SEQUENCE DWLYYTVRVP AGPVGIITPW NAPLMLSTWR IAPALAFGNT VVLKPAEWSP DATA SEQUENCE FTATKLAEIL KEADLPPGVF NLVQGFGEEA GAALVAHPLV PLLTLTGETE DATA SEQUENCE TGKIVMRNAA DHLKRLSPEL GGKSPALVFA DADLERALDA VVFQIFSFNG DATA SEQUENCE ERCTASSRLL VEEKIFEDFV GKVVERARAI RVGHPLDPET EVGPLIHPEH DATA SEQUENCE LQRVLGYVEA GKREGARLLV GGERAKTSFR GEDLSRGNYL LPTVFVGENH DATA SEQUENCE MKIAQEEIFG PVLVAIPFKD EEEALRKAND TKYGLAAYVF TRDLERAHRL DATA SEQUENCE ALELEAGMVY LNSHNVRHLP TPFGGVKGSG DRREGGTYAL DFYTDLKTIA DATA SEQUENCE LPLRPPHVPK FGK 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 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.876 175.900 -0.040 0.000 1.272 3 Y CA 0.000 58.103 58.100 0.006 0.000 1.940 3 Y CB 0.000 38.481 38.460 0.035 0.000 1.050 4 A N 1.274 124.143 122.820 0.081 0.000 2.448 4 A HA 0.170 4.480 4.320 -0.015 0.000 0.239 4 A C 0.926 178.531 177.584 0.036 0.000 1.080 4 A CA 0.284 52.344 52.037 0.039 0.000 0.779 4 A CB 0.376 19.392 19.000 0.026 0.000 1.026 4 A HN 0.783 nan 8.150 nan 0.000 0.499 5 D N -0.084 120.321 120.400 0.008 0.000 2.277 5 D HA 0.013 4.644 4.640 -0.015 0.000 0.208 5 D C 0.242 176.546 176.300 0.006 0.000 0.962 5 D CA 1.055 55.053 54.000 -0.004 0.000 0.865 5 D CB 0.202 40.992 40.800 -0.017 0.000 0.939 5 D HN 0.283 nan 8.370 nan 0.000 0.510 6 R N 0.398 120.907 120.500 0.014 0.000 2.621 6 R HA 0.406 4.737 4.340 -0.015 0.000 0.284 6 R C -0.799 175.517 176.300 0.027 0.000 0.998 6 R CA -0.682 55.428 56.100 0.018 0.000 0.895 6 R CB 2.608 32.916 30.300 0.013 0.000 1.195 6 R HN -0.137 nan 8.270 nan 0.000 0.450 7 V N -0.772 119.162 119.914 0.033 0.000 2.823 7 V HA 0.893 5.004 4.120 -0.015 0.000 0.312 7 V C 0.111 176.228 176.094 0.038 0.000 1.072 7 V CA -1.180 61.142 62.300 0.038 0.000 0.937 7 V CB 1.894 33.745 31.823 0.047 0.000 1.013 7 V HN 0.824 nan 8.190 nan 0.000 0.430 8 A N 2.720 125.562 122.820 0.036 0.000 2.351 8 A HA 0.812 5.123 4.320 -0.015 0.000 0.257 8 A C 0.742 178.353 177.584 0.045 0.000 1.087 8 A CA 0.267 52.327 52.037 0.037 0.000 0.798 8 A CB 0.321 19.340 19.000 0.032 0.000 1.033 8 A HN 1.930 nan 8.150 nan 0.000 0.488 9 G N -0.408 108.422 108.800 0.049 0.000 2.528 9 G HA2 0.524 4.475 3.960 -0.015 0.000 0.289 9 G HA3 0.524 4.475 3.960 -0.015 0.000 0.289 9 G C -0.327 174.605 174.900 0.053 0.000 1.192 9 G CA -0.704 44.430 45.100 0.057 0.000 0.921 9 G HN 0.699 nan 8.290 nan 0.000 0.512 10 I N 0.716 121.320 120.570 0.056 0.000 2.437 10 I HA 0.206 4.367 4.170 -0.015 0.000 0.298 10 I C 1.066 177.219 176.117 0.061 0.000 0.984 10 I CA -0.584 60.745 61.300 0.048 0.000 1.214 10 I CB 1.861 39.883 38.000 0.037 0.000 1.365 10 I HN 0.591 nan 8.210 nan 0.000 0.469 11 S N 4.197 119.934 115.700 0.062 0.000 2.558 11 S HA -0.116 4.345 4.470 -0.015 0.000 0.287 11 S C 0.716 175.390 174.600 0.124 0.000 1.321 11 S CA -0.225 58.035 58.200 0.101 0.000 1.048 11 S CB 0.451 63.705 63.200 0.089 0.000 0.844 11 S HN 0.825 nan 8.310 nan 0.000 0.512 12 W N 2.910 124.207 121.300 -0.006 0.000 2.338 12 W HA -0.141 4.510 4.660 -0.015 0.000 0.304 12 W C 2.170 178.682 176.519 -0.011 0.000 1.212 12 W CA 1.819 59.157 57.345 -0.013 0.000 1.264 12 W CB -0.418 29.032 29.460 -0.017 0.000 1.142 12 W HN 0.946 nan 8.180 nan 0.000 0.512 13 E N -0.169 120.095 120.200 0.107 0.000 2.058 13 E HA -0.195 4.146 4.350 -0.015 0.000 0.194 13 E C 2.077 178.549 176.600 -0.213 0.000 0.997 13 E CA 2.695 59.018 56.400 -0.129 0.000 0.801 13 E CB -0.872 28.893 29.700 0.108 0.000 0.746 13 E HN 0.196 nan 8.360 nan 0.000 0.450 14 T N 0.734 115.227 114.554 -0.102 0.000 2.746 14 T HA -0.104 4.237 4.350 -0.015 0.000 0.267 14 T C 1.952 176.566 174.700 -0.144 0.000 1.039 14 T CA 1.510 63.556 62.100 -0.091 0.000 1.142 14 T CB -0.308 68.540 68.868 -0.032 0.000 0.866 14 T HN 0.163 nan 8.240 nan 0.000 0.444 15 I N 0.678 121.143 120.570 -0.176 0.000 2.163 15 I HA -0.172 3.989 4.170 -0.015 0.000 0.243 15 I C 2.720 178.669 176.117 -0.280 0.000 1.085 15 I CA 1.283 62.468 61.300 -0.191 0.000 1.347 15 I CB -0.281 37.612 38.000 -0.179 0.000 1.044 15 I HN 0.145 nan 8.210 nan 0.000 0.408 16 E N 0.589 120.500 120.200 -0.481 0.000 2.150 16 E HA -0.247 4.094 4.350 -0.015 0.000 0.193 16 E C 1.890 178.305 176.600 -0.308 0.000 0.985 16 E CA 1.041 57.140 56.400 -0.502 0.000 0.814 16 E CB -0.040 29.122 29.700 -0.897 0.000 0.752 16 E HN 0.310 nan 8.360 nan 0.000 0.466 17 E N -0.520 119.527 120.200 -0.255 0.000 2.072 17 E HA -0.093 4.248 4.350 -0.015 0.000 0.191 17 E C 1.901 178.415 176.600 -0.144 0.000 0.985 17 E CA 0.998 57.298 56.400 -0.166 0.000 0.801 17 E CB -0.194 29.433 29.700 -0.121 0.000 0.750 17 E HN 0.113 nan 8.360 nan 0.000 0.452 18 V N 0.896 120.726 119.914 -0.140 0.000 2.343 18 V HA -0.235 3.876 4.120 -0.015 0.000 0.247 18 V C 2.487 178.486 176.094 -0.158 0.000 1.051 18 V CA 2.092 64.315 62.300 -0.128 0.000 1.036 18 V CB -0.496 31.269 31.823 -0.097 0.000 0.654 18 V HN 0.245 nan 8.190 nan 0.000 0.451 19 R N 0.335 120.739 120.500 -0.161 0.000 2.094 19 R HA -0.219 4.111 4.340 -0.015 0.000 0.239 19 R C 2.558 178.761 176.300 -0.161 0.000 1.137 19 R CA 2.253 58.258 56.100 -0.158 0.000 0.943 19 R CB -0.409 29.803 30.300 -0.146 0.000 0.850 19 R HN 0.644 nan 8.270 nan 0.000 0.433 20 R N 0.253 120.663 120.500 -0.149 0.000 2.115 20 R HA -0.044 4.287 4.340 -0.015 0.000 0.230 20 R C 2.098 178.317 176.300 -0.136 0.000 1.111 20 R CA 0.999 57.022 56.100 -0.127 0.000 0.976 20 R CB -0.398 29.837 30.300 -0.108 0.000 0.870 20 R HN 0.131 nan 8.270 nan 0.000 0.445 21 R N 0.961 121.373 120.500 -0.147 0.000 2.120 21 R HA 0.012 4.343 4.340 -0.015 0.000 0.234 21 R C 2.302 178.480 176.300 -0.204 0.000 1.123 21 R CA 1.174 57.183 56.100 -0.151 0.000 0.975 21 R CB -0.352 29.865 30.300 -0.138 0.000 0.866 21 R HN 0.289 nan 8.270 nan 0.000 0.446 22 L N 1.113 122.171 121.223 -0.274 0.000 2.056 22 L HA -0.175 4.155 4.340 -0.015 0.000 0.207 22 L C 2.292 178.959 176.870 -0.339 0.000 1.078 22 L CA 1.503 56.074 54.840 -0.448 0.000 0.749 22 L CB -0.312 41.362 42.059 -0.641 0.000 0.901 22 L HN 0.243 nan 8.230 nan 0.000 0.433 23 K N -0.439 119.829 120.400 -0.220 0.000 2.400 23 K HA -0.081 4.230 4.320 -0.015 0.000 0.194 23 K C 1.768 178.307 176.600 -0.101 0.000 1.033 23 K CA 0.457 56.663 56.287 -0.136 0.000 1.021 23 K CB -0.008 32.434 32.500 -0.097 0.000 0.808 23 K HN 0.230 nan 8.250 nan 0.000 0.505 24 E N 1.670 121.804 120.200 -0.110 0.000 2.107 24 E HA -0.071 4.270 4.350 -0.015 0.000 0.191 24 E C 0.108 176.661 176.600 -0.079 0.000 0.982 24 E CA 0.518 56.867 56.400 -0.084 0.000 0.809 24 E CB 0.414 30.063 29.700 -0.085 0.000 0.756 24 E HN 0.169 nan 8.360 nan 0.000 0.459 25 R N 0.863 121.303 120.500 -0.100 0.000 2.575 25 R HA 0.354 4.685 4.340 -0.015 0.000 0.293 25 R C -2.673 173.575 176.300 -0.086 0.000 0.983 25 R CA -2.183 53.863 56.100 -0.089 0.000 0.887 25 R CB 1.960 32.198 30.300 -0.104 0.000 1.184 25 R HN -0.029 nan 8.270 nan 0.000 0.445 26 P HA 0.022 nan 4.420 nan 0.000 0.269 26 P C -1.167 176.105 177.300 -0.047 0.000 1.209 26 P CA -0.057 63.014 63.100 -0.049 0.000 0.776 26 P CB 0.819 32.483 31.700 -0.061 0.000 0.876 27 A N 4.122 126.947 122.820 0.009 0.000 2.410 27 A HA 0.287 4.598 4.320 -0.015 0.000 0.292 27 A C 0.139 177.690 177.584 -0.054 0.000 1.232 27 A CA -0.224 51.831 52.037 0.031 0.000 0.893 27 A CB -0.907 18.197 19.000 0.173 0.000 1.131 27 A HN 0.486 nan 8.150 nan 0.000 0.530 28 L N 2.682 123.894 121.223 -0.018 0.000 2.454 28 L HA 0.317 4.648 4.340 -0.015 0.000 0.256 28 L C 0.591 177.543 176.870 0.137 0.000 1.136 28 L CA -1.044 53.792 54.840 -0.005 0.000 0.804 28 L CB 0.396 42.537 42.059 0.136 0.000 1.181 28 L HN 0.655 nan 8.230 nan 0.000 0.469 29 H N 0.348 119.557 119.070 0.232 0.000 2.679 29 H HA 0.103 4.649 4.556 -0.015 0.000 0.369 29 H C -0.965 174.502 175.328 0.232 0.000 1.178 29 H CA 0.082 56.246 56.048 0.193 0.000 1.419 29 H CB 0.737 30.542 29.762 0.071 0.000 1.458 29 H HN 0.285 nan 8.280 nan 0.000 0.605 30 F N 2.481 122.471 119.950 0.067 0.000 2.382 30 F HA 0.401 4.919 4.527 -0.015 0.000 0.361 30 F C -0.835 174.858 175.800 -0.179 0.000 1.109 30 F CA -0.522 57.340 58.000 -0.231 0.000 1.031 30 F CB 0.214 38.977 39.000 -0.393 0.000 1.234 30 F HN 0.289 nan 8.300 nan 0.000 0.445 31 I N 5.634 125.915 120.570 -0.481 0.000 2.498 31 I HA 0.484 4.645 4.170 -0.015 0.000 0.290 31 I C 0.370 176.235 176.117 -0.421 0.000 1.032 31 I CA -1.187 59.910 61.300 -0.339 0.000 1.073 31 I CB 1.976 39.858 38.000 -0.197 0.000 1.251 31 I HN 0.748 nan 8.210 nan 0.000 0.426 32 A N 4.539 127.182 122.820 -0.294 0.000 2.687 32 A HA -0.069 4.242 4.320 -0.015 0.000 0.299 32 A C 1.334 178.736 177.584 -0.304 0.000 1.497 32 A CA 1.049 52.949 52.037 -0.228 0.000 0.751 32 A CB -1.891 17.012 19.000 -0.162 0.000 1.048 32 A HN 2.007 nan 8.150 nan 0.000 0.464 33 G N -1.802 106.728 108.800 -0.450 0.000 2.159 33 G HA2 -0.055 3.895 3.960 -0.015 0.000 0.256 33 G HA3 -0.055 3.895 3.960 -0.015 0.000 0.256 33 G C -0.207 174.275 174.900 -0.697 0.000 0.977 33 G CA 1.281 46.140 45.100 -0.401 0.000 0.652 33 G HN 2.434 nan 8.290 nan 0.000 0.531 34 E N -1.010 118.498 120.200 -1.153 0.000 2.390 34 E HA 0.659 5.000 4.350 -0.015 0.000 0.277 34 E C -1.019 175.118 176.600 -0.771 0.000 0.939 34 E CA -1.440 54.525 56.400 -0.725 0.000 0.769 34 E CB 1.002 30.538 29.700 -0.273 0.000 1.251 34 E HN 0.042 nan 8.360 nan 0.000 0.450 35 F N 1.455 121.323 119.950 -0.137 0.000 2.438 35 F HA 0.355 4.873 4.527 -0.015 0.000 0.356 35 F C 0.366 176.162 175.800 -0.007 0.000 1.099 35 F CA -0.109 57.914 58.000 0.038 0.000 1.185 35 F CB 1.501 40.596 39.000 0.157 0.000 1.115 35 F HN 0.393 nan 8.300 nan 0.000 0.526 36 V N 2.618 122.646 119.914 0.190 0.000 3.114 36 V HA 0.724 4.835 4.120 -0.015 0.000 0.308 36 V C -2.898 173.289 176.094 0.155 0.000 1.168 36 V CA -2.388 59.989 62.300 0.129 0.000 1.015 36 V CB 2.143 34.004 31.823 0.063 0.000 1.050 36 V HN 0.436 nan 8.190 nan 0.000 0.433 37 P HA 0.412 nan 4.420 nan 0.000 0.284 37 P C -0.240 177.184 177.300 0.207 0.000 1.292 37 P CA -0.299 62.851 63.100 0.083 0.000 0.800 37 P CB 1.379 33.105 31.700 0.043 0.000 1.188 38 S N -0.123 115.703 115.700 0.210 0.000 2.593 38 S HA 0.039 4.500 4.470 -0.015 0.000 0.269 38 S C 1.444 176.111 174.600 0.112 0.000 1.334 38 S CA -0.342 57.992 58.200 0.222 0.000 1.015 38 S CB -0.003 63.329 63.200 0.221 0.000 0.912 38 S HN 0.385 nan 8.310 nan 0.000 0.541 39 E N 1.240 121.485 120.200 0.076 0.000 2.153 39 E HA -0.140 4.201 4.350 -0.015 0.000 0.194 39 E C 2.060 178.690 176.600 0.049 0.000 0.988 39 E CA 1.321 57.751 56.400 0.049 0.000 0.811 39 E CB -0.107 29.611 29.700 0.030 0.000 0.746 39 E HN 0.717 nan 8.360 nan 0.000 0.466 40 S N -0.623 115.111 115.700 0.057 0.000 2.453 40 S HA 0.023 4.484 4.470 -0.015 0.000 0.231 40 S C 1.841 176.474 174.600 0.055 0.000 1.005 40 S CA 0.690 58.923 58.200 0.054 0.000 0.949 40 S CB 0.095 63.332 63.200 0.062 0.000 0.774 40 S HN 0.407 nan 8.310 nan 0.000 0.510 41 G N 0.802 109.640 108.800 0.062 0.000 2.199 41 G HA2 -0.265 3.686 3.960 -0.015 0.000 0.254 41 G HA3 -0.265 3.686 3.960 -0.015 0.000 0.254 41 G C -0.142 174.791 174.900 0.054 0.000 0.982 41 G CA 0.258 45.389 45.100 0.051 0.000 0.632 41 G HN 0.627 nan 8.290 nan 0.000 0.529 42 E N 1.036 121.278 120.200 0.071 0.000 2.404 42 E HA 0.486 4.827 4.350 -0.015 0.000 0.261 42 E C 0.816 177.465 176.600 0.081 0.000 1.074 42 E CA 0.813 57.263 56.400 0.083 0.000 0.917 42 E CB 0.652 30.415 29.700 0.105 0.000 0.965 42 E HN 0.541 nan 8.360 nan 0.000 0.433 43 T N -1.077 113.528 114.554 0.086 0.000 2.812 43 T HA 0.677 5.018 4.350 -0.015 0.000 0.294 43 T C -0.930 173.860 174.700 0.151 0.000 1.159 43 T CA -1.006 61.122 62.100 0.046 0.000 1.008 43 T CB 0.852 69.696 68.868 -0.041 0.000 1.289 43 T HN 0.429 nan 8.240 nan 0.000 0.514 44 F N -1.099 118.846 119.950 -0.009 0.000 2.599 44 F HA 0.896 5.414 4.527 -0.016 0.000 0.311 44 F C -3.159 172.689 175.800 0.080 0.000 1.076 44 F CA -2.631 55.405 58.000 0.060 0.000 0.937 44 F CB 1.393 40.392 39.000 -0.003 0.000 1.282 44 F HN 0.500 nan 8.300 nan 0.000 0.460 45 P HA 0.306 nan 4.420 nan 0.000 0.282 45 P C -1.296 176.142 177.300 0.230 0.000 1.259 45 P CA -0.480 62.706 63.100 0.143 0.000 0.826 45 P CB 2.080 33.885 31.700 0.174 0.000 1.064 46 S N 1.262 117.061 115.700 0.164 0.000 2.647 46 S HA 0.504 4.965 4.470 -0.015 0.000 0.300 46 S C -0.572 174.146 174.600 0.197 0.000 1.129 46 S CA -0.594 57.715 58.200 0.182 0.000 1.029 46 S CB -0.076 63.095 63.200 -0.048 0.000 1.007 46 S HN 0.141 nan 8.310 nan 0.000 0.484 47 L N 3.354 124.654 121.223 0.129 0.000 2.439 47 L HA 0.486 4.816 4.340 -0.015 0.000 0.261 47 L C 0.468 177.362 176.870 0.041 0.000 1.153 47 L CA 0.010 54.876 54.840 0.044 0.000 0.808 47 L CB 0.641 42.648 42.059 -0.087 0.000 1.126 47 L HN 0.662 nan 8.230 nan 0.000 0.460 48 D N 2.991 123.399 120.400 0.013 0.000 2.443 48 D HA 0.209 4.840 4.640 -0.015 0.000 0.221 48 D C -1.753 174.505 176.300 -0.069 0.000 1.097 48 D CA -2.172 51.831 54.000 0.006 0.000 0.865 48 D CB 1.399 42.215 40.800 0.027 0.000 1.034 48 D HN 0.226 nan 8.370 nan 0.000 0.511 49 P HA -0.167 nan 4.420 nan 0.000 0.222 49 P C 0.874 178.028 177.300 -0.244 0.000 1.142 49 P CA 0.731 63.705 63.100 -0.210 0.000 0.788 49 P CB 0.277 31.842 31.700 -0.225 0.000 0.767 50 A N -0.171 122.539 122.820 -0.183 0.000 2.072 50 A HA 0.011 4.322 4.320 -0.015 0.000 0.216 50 A C 1.950 179.567 177.584 0.056 0.000 1.156 50 A CA 1.842 53.809 52.037 -0.115 0.000 0.701 50 A CB -0.919 17.948 19.000 -0.223 0.000 0.816 50 A HN 0.388 nan 8.150 nan 0.000 0.458 51 T N -6.487 108.075 114.554 0.013 0.000 3.009 51 T HA 0.141 4.482 4.350 -0.015 0.000 0.267 51 T C 0.483 175.177 174.700 -0.010 0.000 0.942 51 T CA 0.471 62.592 62.100 0.036 0.000 0.883 51 T CB -0.075 68.826 68.868 0.055 0.000 1.192 51 T HN 0.253 nan 8.240 nan 0.000 0.524 52 N N 1.898 120.564 118.700 -0.057 0.000 2.741 52 N HA -0.116 4.615 4.740 -0.015 0.000 0.251 52 N C -0.687 174.792 175.510 -0.052 0.000 1.112 52 N CA 1.041 54.034 53.050 -0.095 0.000 0.750 52 N CB -0.746 37.673 38.487 -0.114 0.000 1.119 52 N HN 0.713 nan 8.380 nan 0.000 0.561 53 E N -0.109 120.080 120.200 -0.018 0.000 2.250 53 E HA 0.353 4.694 4.350 -0.015 0.000 0.269 53 E C 0.333 176.944 176.600 0.019 0.000 1.018 53 E CA -0.780 55.622 56.400 0.003 0.000 0.873 53 E CB 1.696 31.404 29.700 0.014 0.000 1.134 53 E HN -0.108 nan 8.360 nan 0.000 0.403 54 V N 2.978 122.912 119.914 0.033 0.000 2.529 54 V HA -0.053 4.058 4.120 -0.015 0.000 0.292 54 V C 1.548 177.677 176.094 0.059 0.000 1.028 54 V CA 0.438 62.775 62.300 0.061 0.000 1.074 54 V CB 0.442 32.302 31.823 0.061 0.000 0.958 54 V HN 0.644 nan 8.190 nan 0.000 0.481 55 L N 3.480 124.767 121.223 0.107 0.000 2.202 55 L HA 0.388 4.719 4.340 -0.015 0.000 0.205 55 L C 1.022 177.874 176.870 -0.030 0.000 1.083 55 L CA 1.272 56.145 54.840 0.056 0.000 0.790 55 L CB 0.441 42.596 42.059 0.159 0.000 0.942 55 L HN 0.892 nan 8.230 nan 0.000 0.452 56 G N -1.171 107.712 108.800 0.139 0.000 2.321 56 G HA2 0.377 4.328 3.960 -0.015 0.000 0.296 56 G HA3 0.377 4.328 3.960 -0.015 0.000 0.296 56 G C -1.734 173.335 174.900 0.282 0.000 1.287 56 G CA 0.079 45.240 45.100 0.102 0.000 0.846 56 G HN -0.067 nan 8.290 nan 0.000 0.508 57 V N -2.992 117.018 119.914 0.160 0.000 3.001 57 V HA 1.022 5.133 4.120 -0.015 0.000 0.314 57 V C 0.061 176.069 176.094 -0.145 0.000 1.099 57 V CA -0.378 61.897 62.300 -0.043 0.000 0.989 57 V CB 1.331 33.112 31.823 -0.070 0.000 1.040 57 V HN 2.451 nan 8.190 nan 0.000 0.434 58 A N 1.674 124.148 122.820 -0.576 0.000 2.401 58 A HA 0.982 5.293 4.320 -0.015 0.000 0.310 58 A C 0.179 177.466 177.584 -0.495 0.000 1.075 58 A CA -0.456 51.243 52.037 -0.564 0.000 0.746 58 A CB 1.457 19.991 19.000 -0.777 0.000 1.277 58 A HN 2.427 nan 8.150 nan 0.000 0.425 59 A N 1.080 123.711 122.820 -0.315 0.000 2.540 59 A HA 0.406 4.717 4.320 -0.015 0.000 0.239 59 A C 0.632 178.231 177.584 0.024 0.000 1.061 59 A CA 0.130 52.031 52.037 -0.228 0.000 0.758 59 A CB -0.168 18.500 19.000 -0.553 0.000 0.991 59 A HN 0.828 nan 8.150 nan 0.000 0.502 60 R N 3.009 123.610 120.500 0.167 0.000 2.408 60 R HA 0.337 4.667 4.340 -0.015 0.000 0.308 60 R C 0.542 176.965 176.300 0.205 0.000 1.210 60 R CA 0.246 56.470 56.100 0.207 0.000 1.115 60 R CB -0.166 30.220 30.300 0.144 0.000 1.127 60 R HN 0.847 nan 8.270 nan 0.000 0.523 61 G N 1.401 110.373 108.800 0.286 0.000 2.432 61 G HA2 0.419 4.370 3.960 -0.015 0.000 0.257 61 G HA3 0.419 4.370 3.960 -0.015 0.000 0.257 61 G C -0.146 174.754 174.900 -0.000 0.000 1.238 61 G CA -0.224 44.933 45.100 0.096 0.000 0.838 61 G HN 0.676 nan 8.290 nan 0.000 0.547 62 G N -0.032 108.751 108.800 -0.028 0.000 3.262 62 G HA2 0.492 4.443 3.960 -0.015 0.000 0.229 62 G HA3 0.492 4.443 3.960 -0.015 0.000 0.229 62 G C 0.750 175.633 174.900 -0.029 0.000 1.280 62 G CA 0.162 45.256 45.100 -0.009 0.000 0.951 62 G HN 0.605 nan 8.290 nan 0.000 0.589 63 E N -0.318 119.877 120.200 -0.007 0.000 2.268 63 E HA -0.056 4.284 4.350 -0.015 0.000 0.195 63 E C 2.063 178.661 176.600 -0.003 0.000 0.995 63 E CA 0.509 56.910 56.400 0.001 0.000 0.836 63 E CB 0.039 29.745 29.700 0.010 0.000 0.763 63 E HN 0.369 nan 8.360 nan 0.000 0.491 64 R N 0.598 121.089 120.500 -0.016 0.000 2.073 64 R HA -0.063 4.267 4.340 -0.015 0.000 0.229 64 R C 1.861 178.128 176.300 -0.056 0.000 1.120 64 R CA 1.482 57.570 56.100 -0.020 0.000 0.967 64 R CB 0.031 30.324 30.300 -0.012 0.000 0.862 64 R HN 0.130 nan 8.270 nan 0.000 0.436 65 E N 0.042 120.179 120.200 -0.104 0.000 2.107 65 E HA -0.095 4.246 4.350 -0.015 0.000 0.191 65 E C 1.945 178.430 176.600 -0.192 0.000 0.982 65 E CA 0.743 57.024 56.400 -0.198 0.000 0.809 65 E CB -0.098 29.358 29.700 -0.408 0.000 0.756 65 E HN 0.013 nan 8.360 nan 0.000 0.459 66 V N 1.288 121.114 119.914 -0.147 0.000 2.407 66 V HA -0.253 3.857 4.120 -0.015 0.000 0.248 66 V C 1.959 177.968 176.094 -0.142 0.000 1.055 66 V CA 2.038 64.258 62.300 -0.133 0.000 1.049 66 V CB -0.462 31.323 31.823 -0.064 0.000 0.662 66 V HN 0.265 nan 8.190 nan 0.000 0.455 67 D N 0.072 120.449 120.400 -0.039 0.000 2.097 67 D HA -0.190 4.441 4.640 -0.015 0.000 0.195 67 D C 2.370 178.618 176.300 -0.087 0.000 0.989 67 D CA 1.511 55.524 54.000 0.022 0.000 0.827 67 D CB -0.105 40.757 40.800 0.103 0.000 0.966 67 D HN 0.302 nan 8.370 nan 0.000 0.456 68 R N -0.122 120.326 120.500 -0.086 0.000 2.096 68 R HA -0.009 4.322 4.340 -0.015 0.000 0.235 68 R C 2.355 178.574 176.300 -0.135 0.000 1.127 68 R CA 1.232 57.276 56.100 -0.094 0.000 0.968 68 R CB -0.296 29.951 30.300 -0.089 0.000 0.861 68 R HN 0.184 nan 8.270 nan 0.000 0.440 69 A N 1.074 123.789 122.820 -0.174 0.000 1.873 69 A HA -0.078 4.233 4.320 -0.015 0.000 0.215 69 A C 2.355 179.810 177.584 -0.215 0.000 1.186 69 A CA 1.581 53.503 52.037 -0.192 0.000 0.616 69 A CB -0.687 18.192 19.000 -0.203 0.000 0.823 69 A HN 0.386 nan 8.150 nan 0.000 0.442 70 A N -0.243 122.381 122.820 -0.326 0.000 1.902 70 A HA -0.161 4.149 4.320 -0.015 0.000 0.217 70 A C 2.123 179.566 177.584 -0.237 0.000 1.181 70 A CA 1.849 53.630 52.037 -0.427 0.000 0.623 70 A CB -0.435 17.902 19.000 -1.105 0.000 0.818 70 A HN 0.530 nan 8.150 nan 0.000 0.443 71 K N -0.415 119.881 120.400 -0.175 0.000 2.057 71 K HA -0.057 4.253 4.320 -0.015 0.000 0.207 71 K C 2.328 178.935 176.600 0.012 0.000 1.049 71 K CA 1.060 57.334 56.287 -0.022 0.000 0.931 71 K CB -0.314 32.183 32.500 -0.006 0.000 0.714 71 K HN 0.447 nan 8.250 nan 0.000 0.440 72 A N 1.487 124.277 122.820 -0.049 0.000 1.877 72 A HA -0.151 4.160 4.320 -0.015 0.000 0.216 72 A C 2.363 179.931 177.584 -0.027 0.000 1.186 72 A CA 1.961 53.969 52.037 -0.048 0.000 0.620 72 A CB -0.722 18.221 19.000 -0.094 0.000 0.822 72 A HN 0.347 nan 8.150 nan 0.000 0.443 73 A N -1.030 121.764 122.820 -0.043 0.000 1.902 73 A HA -0.156 4.154 4.320 -0.015 0.000 0.217 73 A C 2.035 179.659 177.584 0.068 0.000 1.181 73 A CA 2.130 54.158 52.037 -0.015 0.000 0.623 73 A CB -0.868 18.096 19.000 -0.060 0.000 0.818 73 A HN 0.781 nan 8.150 nan 0.000 0.443 74 H N -0.395 118.663 119.070 -0.021 0.000 2.321 74 H HA -0.100 4.446 4.556 -0.016 0.000 0.300 74 H C 2.085 177.476 175.328 0.104 0.000 1.087 74 H CA 1.885 57.949 56.048 0.027 0.000 1.319 74 H CB -0.050 29.705 29.762 -0.012 0.000 1.379 74 H HN 0.411 nan 8.280 nan 0.000 0.501 75 E N 0.461 120.662 120.200 0.001 0.000 2.110 75 E HA -0.120 4.221 4.350 -0.015 0.000 0.193 75 E C 2.044 178.635 176.600 -0.014 0.000 0.988 75 E CA 1.111 57.489 56.400 -0.037 0.000 0.804 75 E CB -0.336 29.378 29.700 0.022 0.000 0.745 75 E HN 0.603 nan 8.360 nan 0.000 0.458 76 A N -0.248 122.589 122.820 0.029 0.000 2.169 76 A HA -0.022 4.289 4.320 -0.015 0.000 0.212 76 A C 1.821 179.491 177.584 0.143 0.000 1.153 76 A CA 0.153 52.225 52.037 0.058 0.000 0.756 76 A CB -0.611 18.399 19.000 0.017 0.000 0.813 76 A HN 0.323 nan 8.150 nan 0.000 0.471 77 F N 1.450 121.396 119.950 -0.006 0.000 2.134 77 F HA -0.244 4.273 4.527 -0.017 0.000 0.299 77 F C 2.464 178.301 175.800 0.061 0.000 1.097 77 F CA 2.090 60.124 58.000 0.056 0.000 1.264 77 F CB -0.162 38.836 39.000 -0.003 0.000 1.001 77 F HN 0.310 nan 8.300 nan 0.000 0.479 78 Q N 0.738 120.496 119.800 -0.069 0.000 2.014 78 Q HA -0.252 4.079 4.340 -0.015 0.000 0.207 78 Q C 2.341 178.252 176.000 -0.147 0.000 0.993 78 Q CA 2.212 57.923 55.803 -0.154 0.000 0.850 78 Q CB -1.042 27.659 28.738 -0.062 0.000 0.916 78 Q HN 0.467 nan 8.270 nan 0.000 0.417 79 R N -0.319 120.158 120.500 -0.038 0.000 2.073 79 R HA -0.050 4.281 4.340 -0.015 0.000 0.229 79 R C 2.184 178.508 176.300 0.041 0.000 1.120 79 R CA 1.052 57.156 56.100 0.005 0.000 0.967 79 R CB -0.388 29.947 30.300 0.058 0.000 0.862 79 R HN 0.446 nan 8.270 nan 0.000 0.436 80 W N 1.923 123.150 121.300 -0.120 0.000 2.358 80 W HA -0.204 4.447 4.660 -0.014 0.000 0.303 80 W C 1.972 178.405 176.519 -0.143 0.000 1.208 80 W CA 1.884 59.172 57.345 -0.095 0.000 1.274 80 W CB -0.147 29.287 29.460 -0.044 0.000 1.138 80 W HN 0.151 nan 8.180 nan 0.000 0.515 81 S N 0.662 116.191 115.700 -0.285 0.000 2.442 81 S HA -0.129 4.331 4.470 -0.015 0.000 0.236 81 S C 1.585 175.987 174.600 -0.330 0.000 1.007 81 S CA 0.918 58.858 58.200 -0.432 0.000 0.965 81 S CB -0.489 62.223 63.200 -0.812 0.000 0.773 81 S HN 0.362 nan 8.310 nan 0.000 0.504 82 R N 1.650 121.990 120.500 -0.266 0.000 2.312 82 R HA 0.135 4.466 4.340 -0.015 0.000 0.205 82 R C 0.436 176.632 176.300 -0.173 0.000 0.904 82 R CA 0.545 56.534 56.100 -0.185 0.000 1.052 82 R CB 0.019 30.240 30.300 -0.131 0.000 1.014 82 R HN 0.633 nan 8.270 nan 0.000 0.503 83 T N -0.025 114.385 114.554 -0.239 0.000 2.903 83 T HA 0.096 4.437 4.350 -0.015 0.000 0.314 83 T C 0.216 174.783 174.700 -0.221 0.000 1.078 83 T CA -0.423 61.545 62.100 -0.219 0.000 1.114 83 T CB 1.058 69.719 68.868 -0.346 0.000 0.987 83 T HN -0.039 nan 8.240 nan 0.000 0.548 84 K N 1.544 121.858 120.400 -0.143 0.000 2.401 84 K HA 0.354 4.665 4.320 -0.015 0.000 0.278 84 K C 1.599 178.114 176.600 -0.142 0.000 1.018 84 K CA -0.085 56.129 56.287 -0.122 0.000 0.981 84 K CB 0.533 32.984 32.500 -0.082 0.000 0.933 84 K HN 0.741 nan 8.250 nan 0.000 0.477 85 A N 3.851 126.596 122.820 -0.126 0.000 1.948 85 A HA -0.256 4.055 4.320 -0.015 0.000 0.220 85 A C 2.092 179.629 177.584 -0.079 0.000 1.177 85 A CA 1.897 53.870 52.037 -0.107 0.000 0.636 85 A CB -0.379 18.572 19.000 -0.083 0.000 0.815 85 A HN 0.889 nan 8.150 nan 0.000 0.449 86 K N -0.510 119.844 120.400 -0.077 0.000 2.147 86 K HA -0.227 4.083 4.320 -0.015 0.000 0.205 86 K C 1.936 178.507 176.600 -0.049 0.000 1.049 86 K CA 1.795 58.046 56.287 -0.060 0.000 0.936 86 K CB -0.091 32.372 32.500 -0.063 0.000 0.722 86 K HN 0.441 nan 8.250 nan 0.000 0.446 87 E N 0.818 120.984 120.200 -0.056 0.000 2.112 87 E HA -0.080 4.261 4.350 -0.015 0.000 0.190 87 E C 1.811 178.446 176.600 0.059 0.000 0.979 87 E CA 1.154 57.529 56.400 -0.041 0.000 0.814 87 E CB 0.111 29.798 29.700 -0.022 0.000 0.762 87 E HN 0.244 nan 8.360 nan 0.000 0.460 88 R N 0.325 120.838 120.500 0.021 0.000 2.092 88 R HA -0.085 4.245 4.340 -0.015 0.000 0.231 88 R C 2.404 178.822 176.300 0.197 0.000 1.119 88 R CA 1.423 57.588 56.100 0.108 0.000 0.970 88 R CB -0.312 29.883 30.300 -0.176 0.000 0.864 88 R HN 0.135 nan 8.270 nan 0.000 0.440 89 K N 1.339 121.793 120.400 0.089 0.000 2.057 89 K HA -0.190 4.121 4.320 -0.015 0.000 0.207 89 K C 2.212 178.870 176.600 0.097 0.000 1.049 89 K CA 1.331 57.674 56.287 0.092 0.000 0.931 89 K CB -0.059 32.463 32.500 0.036 0.000 0.714 89 K HN 0.005 nan 8.250 nan 0.000 0.440 90 R N -0.479 120.043 120.500 0.036 0.000 2.081 90 R HA -0.173 4.158 4.340 -0.015 0.000 0.235 90 R C 2.065 178.368 176.300 0.006 0.000 1.131 90 R CA 1.788 57.870 56.100 -0.030 0.000 0.960 90 R CB -0.359 29.854 30.300 -0.145 0.000 0.856 90 R HN 0.330 nan 8.270 nan 0.000 0.436 91 Y N 0.626 120.986 120.300 0.100 0.000 2.145 91 Y HA -0.204 4.336 4.550 -0.016 0.000 0.286 91 Y C 2.306 178.259 175.900 0.088 0.000 1.145 91 Y CA 1.263 59.431 58.100 0.113 0.000 1.148 91 Y CB -0.096 38.500 38.460 0.227 0.000 0.981 91 Y HN 0.043 nan 8.280 nan 0.000 0.507 92 L N -0.491 120.924 121.223 0.321 0.000 2.046 92 L HA -0.255 4.076 4.340 -0.015 0.000 0.208 92 L C 2.164 179.156 176.870 0.204 0.000 1.077 92 L CA 1.231 56.251 54.840 0.300 0.000 0.747 92 L CB -0.706 41.572 42.059 0.365 0.000 0.896 92 L HN 0.334 nan 8.230 nan 0.000 0.432 93 L N -0.549 120.768 121.223 0.156 0.000 2.141 93 L HA -0.177 4.154 4.340 -0.015 0.000 0.209 93 L C 2.785 179.692 176.870 0.061 0.000 1.094 93 L CA 0.676 55.582 54.840 0.110 0.000 0.763 93 L CB -0.423 41.683 42.059 0.079 0.000 0.908 93 L HN 0.229 nan 8.230 nan 0.000 0.437 94 R N 1.126 121.654 120.500 0.047 0.000 2.075 94 R HA -0.088 4.243 4.340 -0.015 0.000 0.232 94 R C 2.037 178.322 176.300 -0.026 0.000 1.126 94 R CA 1.568 57.679 56.100 0.018 0.000 0.963 94 R CB -0.597 29.723 30.300 0.032 0.000 0.858 94 R HN 0.239 nan 8.270 nan 0.000 0.435 95 I N 0.469 120.986 120.570 -0.089 0.000 2.226 95 I HA -0.237 3.924 4.170 -0.015 0.000 0.245 95 I C 2.263 178.226 176.117 -0.257 0.000 1.100 95 I CA 1.368 62.492 61.300 -0.293 0.000 1.374 95 I CB -0.444 37.150 38.000 -0.677 0.000 1.057 95 I HN 0.298 nan 8.210 nan 0.000 0.413 96 A N 0.220 122.976 122.820 -0.106 0.000 1.902 96 A HA -0.266 4.045 4.320 -0.015 0.000 0.217 96 A C 2.322 179.923 177.584 0.029 0.000 1.181 96 A CA 1.908 53.968 52.037 0.038 0.000 0.623 96 A CB -0.615 18.482 19.000 0.161 0.000 0.818 96 A HN 0.497 nan 8.150 nan 0.000 0.443 97 E N -0.127 120.083 120.200 0.016 0.000 2.051 97 E HA -0.165 4.176 4.350 -0.015 0.000 0.192 97 E C 1.929 178.532 176.600 0.004 0.000 0.991 97 E CA 1.208 57.617 56.400 0.014 0.000 0.799 97 E CB -0.209 29.496 29.700 0.009 0.000 0.748 97 E HN 0.628 nan 8.360 nan 0.000 0.449 98 L N 0.610 121.834 121.223 0.002 0.000 2.141 98 L HA -0.150 4.181 4.340 -0.015 0.000 0.209 98 L C 2.507 179.443 176.870 0.109 0.000 1.094 98 L CA 0.662 55.533 54.840 0.051 0.000 0.763 98 L CB -0.268 41.831 42.059 0.066 0.000 0.908 98 L HN 0.250 nan 8.230 nan 0.000 0.437 99 I N -0.232 120.362 120.570 0.040 0.000 2.315 99 I HA -0.261 3.900 4.170 -0.015 0.000 0.248 99 I C 2.388 178.551 176.117 0.077 0.000 1.117 99 I CA 1.288 62.627 61.300 0.065 0.000 1.404 99 I CB -0.182 37.842 38.000 0.040 0.000 1.071 99 I HN 0.296 nan 8.210 nan 0.000 0.419 100 E N 0.692 120.922 120.200 0.049 0.000 2.072 100 E HA -0.265 4.076 4.350 -0.015 0.000 0.191 100 E C 2.124 178.724 176.600 -0.001 0.000 0.985 100 E CA 0.975 57.395 56.400 0.033 0.000 0.801 100 E CB -0.082 29.635 29.700 0.027 0.000 0.750 100 E HN 0.343 nan 8.360 nan 0.000 0.452 101 K N 0.408 120.781 120.400 -0.045 0.000 2.147 101 K HA -0.143 4.168 4.320 -0.015 0.000 0.205 101 K C 1.168 177.622 176.600 -0.243 0.000 1.049 101 K CA 1.098 57.287 56.287 -0.163 0.000 0.936 101 K CB 0.116 32.462 32.500 -0.258 0.000 0.722 101 K HN 0.228 nan 8.250 nan 0.000 0.446 102 H N -0.852 118.217 119.070 -0.002 0.000 2.505 102 H HA 0.214 4.761 4.556 -0.016 0.000 0.286 102 H C 1.323 176.656 175.328 0.008 0.000 1.072 102 H CA 0.413 56.460 56.048 -0.002 0.000 1.141 102 H CB 0.750 30.507 29.762 -0.009 0.000 1.550 102 H HN 0.269 nan 8.280 nan 0.000 0.547 103 A N 1.101 123.974 122.820 0.089 0.000 1.892 103 A HA -0.218 4.093 4.320 -0.015 0.000 0.218 103 A C 1.943 179.566 177.584 0.065 0.000 1.188 103 A CA 1.966 54.047 52.037 0.073 0.000 0.631 103 A CB -0.144 18.886 19.000 0.050 0.000 0.822 103 A HN 0.219 nan 8.150 nan 0.000 0.447 104 D N -0.398 120.032 120.400 0.050 0.000 2.123 104 D HA -0.124 4.507 4.640 -0.015 0.000 0.196 104 D C 1.981 178.308 176.300 0.045 0.000 0.992 104 D CA 1.557 55.582 54.000 0.042 0.000 0.833 104 D CB -0.405 40.412 40.800 0.028 0.000 0.954 104 D HN 0.688 nan 8.370 nan 0.000 0.455 105 E N 0.176 120.411 120.200 0.058 0.000 2.031 105 E HA -0.125 4.215 4.350 -0.015 0.000 0.193 105 E C 2.379 179.008 176.600 0.048 0.000 0.994 105 E CA 0.533 56.962 56.400 0.048 0.000 0.800 105 E CB -0.165 29.578 29.700 0.072 0.000 0.752 105 E HN 0.236 nan 8.360 nan 0.000 0.447 106 L N 0.716 121.980 121.223 0.069 0.000 2.042 106 L HA -0.239 4.092 4.340 -0.015 0.000 0.210 106 L C 2.595 179.511 176.870 0.077 0.000 1.076 106 L CA 1.093 55.978 54.840 0.075 0.000 0.749 106 L CB -0.533 41.577 42.059 0.086 0.000 0.893 106 L HN 0.174 nan 8.230 nan 0.000 0.432 107 A N -0.234 122.627 122.820 0.069 0.000 1.865 107 A HA -0.181 4.130 4.320 -0.015 0.000 0.217 107 A C 2.330 179.953 177.584 0.064 0.000 1.191 107 A CA 2.051 54.128 52.037 0.066 0.000 0.623 107 A CB -0.989 18.045 19.000 0.058 0.000 0.826 107 A HN 0.176 nan 8.150 nan 0.000 0.444 108 V N -0.286 119.658 119.914 0.050 0.000 2.282 108 V HA -0.369 3.742 4.120 -0.015 0.000 0.249 108 V C 2.604 178.728 176.094 0.050 0.000 1.057 108 V CA 2.482 64.807 62.300 0.042 0.000 1.032 108 V CB -0.729 31.099 31.823 0.009 0.000 0.645 108 V HN 0.659 nan 8.190 nan 0.000 0.447 109 M N -0.586 119.044 119.600 0.049 0.000 2.073 109 M HA -0.276 4.195 4.480 -0.015 0.000 0.258 109 M C 2.293 178.670 176.300 0.128 0.000 1.070 109 M CA 2.213 57.557 55.300 0.072 0.000 1.103 109 M CB -0.255 32.391 32.600 0.077 0.000 1.321 109 M HN 0.356 nan 8.290 nan 0.000 0.405 110 E N -1.051 119.225 120.200 0.126 0.000 2.152 110 E HA -0.219 4.122 4.350 -0.015 0.000 0.192 110 E C 2.103 178.775 176.600 0.121 0.000 0.983 110 E CA 1.112 57.597 56.400 0.143 0.000 0.818 110 E CB -0.087 29.695 29.700 0.136 0.000 0.758 110 E HN 0.671 nan 8.360 nan 0.000 0.467 111 C N 0.377 119.733 119.300 0.094 0.000 2.432 111 C HA -0.113 4.338 4.460 -0.015 0.000 0.277 111 C C 2.457 177.487 174.990 0.066 0.000 1.249 111 C CA 0.717 59.780 59.018 0.075 0.000 1.725 111 C CB -0.970 26.819 27.740 0.082 0.000 2.028 111 C HN 0.392 nan 8.230 nan 0.000 0.477 112 L N 0.331 121.604 121.223 0.083 0.000 2.109 112 L HA -0.035 4.296 4.340 -0.015 0.000 0.207 112 L C 2.429 179.358 176.870 0.098 0.000 1.086 112 L CA 1.977 56.863 54.840 0.076 0.000 0.760 112 L CB -0.729 41.371 42.059 0.068 0.000 0.910 112 L HN 0.368 nan 8.230 nan 0.000 0.437 113 D N -0.093 120.404 120.400 0.161 0.000 2.137 113 D HA -0.074 4.557 4.640 -0.015 0.000 0.202 113 D C 1.879 178.275 176.300 0.161 0.000 0.970 113 D CA 1.304 55.440 54.000 0.227 0.000 0.837 113 D CB 0.332 41.344 40.800 0.354 0.000 0.981 113 D HN 0.204 nan 8.370 nan 0.000 0.475 114 A N -1.283 121.630 122.820 0.155 0.000 2.288 114 A HA 0.521 4.832 4.320 -0.015 0.000 0.216 114 A C 1.718 179.361 177.584 0.099 0.000 1.199 114 A CA 0.884 53.024 52.037 0.172 0.000 0.891 114 A CB 0.109 19.261 19.000 0.252 0.000 0.923 114 A HN 0.345 nan 8.150 nan 0.000 0.500 115 G N -0.790 108.032 108.800 0.036 0.000 2.148 115 G HA2 -0.226 3.725 3.960 -0.015 0.000 0.254 115 G HA3 -0.226 3.725 3.960 -0.015 0.000 0.254 115 G C 0.028 174.918 174.900 -0.017 0.000 0.981 115 G CA 0.322 45.399 45.100 -0.039 0.000 0.670 115 G HN 0.467 nan 8.290 nan 0.000 0.528 116 Q N 0.179 119.994 119.800 0.025 0.000 2.299 116 Q HA 0.498 4.829 4.340 -0.015 0.000 0.246 116 Q C 1.111 177.102 176.000 -0.016 0.000 0.935 116 Q CA 0.029 55.826 55.803 -0.010 0.000 0.887 116 Q CB 1.784 30.507 28.738 -0.025 0.000 1.223 116 Q HN 0.970 nan 8.270 nan 0.000 0.439 117 V N 0.304 120.197 119.914 -0.035 0.000 2.924 117 V HA 0.011 4.122 4.120 -0.015 0.000 0.305 117 V C 1.311 177.412 176.094 0.011 0.000 1.073 117 V CA -0.435 61.868 62.300 0.006 0.000 1.098 117 V CB 0.246 32.071 31.823 0.004 0.000 1.000 117 V HN 0.802 nan 8.190 nan 0.000 0.484 118 L N 2.317 123.571 121.223 0.051 0.000 2.079 118 L HA -0.039 4.292 4.340 -0.015 0.000 0.210 118 L C 2.600 179.499 176.870 0.048 0.000 1.081 118 L CA 1.933 56.805 54.840 0.055 0.000 0.752 118 L CB -0.838 41.266 42.059 0.073 0.000 0.896 118 L HN 0.921 nan 8.230 nan 0.000 0.433 119 R N -1.107 119.421 120.500 0.047 0.000 2.341 119 R HA -0.074 4.257 4.340 -0.015 0.000 0.213 119 R C 1.330 177.687 176.300 0.096 0.000 1.082 119 R CA 0.774 56.912 56.100 0.063 0.000 1.017 119 R CB 0.063 30.393 30.300 0.050 0.000 0.860 119 R HN 0.384 nan 8.270 nan 0.000 0.473 120 I N -1.816 118.777 120.570 0.038 0.000 3.812 120 I HA -0.055 4.106 4.170 -0.015 0.000 0.292 120 I C 1.795 177.923 176.117 0.018 0.000 1.206 120 I CA 0.462 61.776 61.300 0.024 0.000 1.370 120 I CB -0.390 37.436 38.000 -0.290 0.000 1.328 120 I HN -0.095 nan 8.210 nan 0.000 0.453 121 V N 2.309 122.217 119.914 -0.010 0.000 2.407 121 V HA -0.228 3.882 4.120 -0.015 0.000 0.248 121 V C 2.653 178.775 176.094 0.047 0.000 1.055 121 V CA 1.645 63.957 62.300 0.020 0.000 1.049 121 V CB -0.818 31.026 31.823 0.034 0.000 0.662 121 V HN 0.373 nan 8.190 nan 0.000 0.455 122 R N 0.679 121.207 120.500 0.048 0.000 2.091 122 R HA -0.141 4.190 4.340 -0.015 0.000 0.238 122 R C 2.416 178.734 176.300 0.029 0.000 1.136 122 R CA 1.632 57.758 56.100 0.043 0.000 0.959 122 R CB -0.777 29.548 30.300 0.042 0.000 0.856 122 R HN 0.539 nan 8.270 nan 0.000 0.437 123 A N 1.467 124.298 122.820 0.019 0.000 1.969 123 A HA -0.166 4.145 4.320 -0.015 0.000 0.218 123 A C 2.127 179.698 177.584 -0.022 0.000 1.169 123 A CA 0.992 52.996 52.037 -0.055 0.000 0.635 123 A CB -0.268 18.614 19.000 -0.197 0.000 0.810 123 A HN 0.341 nan 8.150 nan 0.000 0.445 124 Q N -0.440 119.387 119.800 0.045 0.000 2.079 124 Q HA -0.109 4.222 4.340 -0.015 0.000 0.200 124 Q C 2.114 178.163 176.000 0.082 0.000 0.974 124 Q CA 1.647 57.501 55.803 0.085 0.000 0.840 124 Q CB -0.337 28.469 28.738 0.114 0.000 0.898 124 Q HN 0.499 nan 8.270 nan 0.000 0.430 125 V N 0.993 120.953 119.914 0.076 0.000 2.427 125 V HA -0.249 3.862 4.120 -0.015 0.000 0.248 125 V C 2.261 178.404 176.094 0.082 0.000 1.051 125 V CA 1.731 64.084 62.300 0.088 0.000 1.048 125 V CB -0.940 30.930 31.823 0.079 0.000 0.666 125 V HN 0.373 nan 8.190 nan 0.000 0.456 126 A N 0.642 123.494 122.820 0.053 0.000 1.902 126 A HA -0.240 4.071 4.320 -0.015 0.000 0.217 126 A C 2.314 179.930 177.584 0.054 0.000 1.181 126 A CA 2.069 54.133 52.037 0.045 0.000 0.623 126 A CB -0.494 18.513 19.000 0.011 0.000 0.818 126 A HN 0.477 nan 8.150 nan 0.000 0.443 127 R N 0.277 120.796 120.500 0.033 0.000 2.115 127 R HA 0.062 4.393 4.340 -0.015 0.000 0.230 127 R C 2.010 178.370 176.300 0.100 0.000 1.111 127 R CA 1.769 57.885 56.100 0.026 0.000 0.976 127 R CB -0.816 29.468 30.300 -0.028 0.000 0.870 127 R HN 0.357 nan 8.270 nan 0.000 0.445 128 A N 0.348 123.250 122.820 0.136 0.000 1.902 128 A HA -0.004 4.307 4.320 -0.015 0.000 0.217 128 A C 2.381 180.153 177.584 0.314 0.000 1.181 128 A CA 1.682 53.849 52.037 0.216 0.000 0.623 128 A CB -1.033 18.090 19.000 0.206 0.000 0.818 128 A HN 0.483 nan 8.150 nan 0.000 0.443 129 A N -0.326 122.642 122.820 0.245 0.000 1.898 129 A HA -0.152 4.158 4.320 -0.015 0.000 0.216 129 A C 2.026 179.785 177.584 0.290 0.000 1.181 129 A CA 1.729 53.927 52.037 0.267 0.000 0.620 129 A CB -0.561 18.532 19.000 0.155 0.000 0.819 129 A HN 0.678 nan 8.150 nan 0.000 0.442 130 E N 0.160 120.483 120.200 0.205 0.000 2.118 130 E HA -0.251 4.090 4.350 -0.015 0.000 0.195 130 E C 1.552 178.306 176.600 0.256 0.000 0.992 130 E CA 1.378 57.892 56.400 0.190 0.000 0.804 130 E CB -0.187 29.573 29.700 0.099 0.000 0.741 130 E HN 0.552 nan 8.360 nan 0.000 0.458 131 N N -0.106 118.748 118.700 0.256 0.000 2.149 131 N HA -0.165 4.565 4.740 -0.015 0.000 0.188 131 N C 1.526 177.178 175.510 0.236 0.000 1.019 131 N CA 1.169 54.396 53.050 0.296 0.000 0.857 131 N CB -0.405 38.224 38.487 0.236 0.000 0.997 131 N HN 0.245 nan 8.380 nan 0.000 0.426 132 F N 0.982 121.090 119.950 0.264 0.000 2.187 132 F HA 0.074 4.593 4.527 -0.013 0.000 0.295 132 F C 2.387 178.308 175.800 0.203 0.000 1.091 132 F CA 0.789 58.913 58.000 0.207 0.000 1.308 132 F CB -0.376 38.702 39.000 0.129 0.000 1.030 132 F HN -0.009 nan 8.300 nan 0.000 0.487 133 A N -0.286 122.757 122.820 0.371 0.000 1.930 133 A HA -0.198 4.113 4.320 -0.015 0.000 0.217 133 A C 2.019 179.758 177.584 0.259 0.000 1.175 133 A CA 1.290 53.487 52.037 0.267 0.000 0.627 133 A CB -1.229 17.902 19.000 0.219 0.000 0.815 133 A HN 0.401 nan 8.150 nan 0.000 0.443 134 F N -0.597 119.423 119.950 0.117 0.000 2.051 134 F HA -0.157 4.360 4.527 -0.018 0.000 0.296 134 F C 2.050 177.883 175.800 0.056 0.000 1.122 134 F CA 1.666 59.691 58.000 0.041 0.000 1.201 134 F CB -0.592 38.361 39.000 -0.079 0.000 0.978 134 F HN 0.288 nan 8.300 nan 0.000 0.472 135 Y N 0.071 120.379 120.300 0.012 0.000 2.509 135 Y HA 0.033 4.572 4.550 -0.018 0.000 0.293 135 Y C 2.451 178.344 175.900 -0.011 0.000 1.133 135 Y CA 0.577 58.581 58.100 -0.160 0.000 1.283 135 Y CB -0.725 37.546 38.460 -0.315 0.000 1.001 135 Y HN 0.204 nan 8.280 nan 0.000 0.555 136 A N 0.159 123.086 122.820 0.179 0.000 1.972 136 A HA -0.162 4.149 4.320 -0.015 0.000 0.219 136 A C 1.929 179.579 177.584 0.110 0.000 1.169 136 A CA 1.556 53.686 52.037 0.156 0.000 0.635 136 A CB -0.254 18.846 19.000 0.166 0.000 0.810 136 A HN 0.274 nan 8.150 nan 0.000 0.446 137 E N -1.346 118.897 120.200 0.072 0.000 2.482 137 E HA -0.055 4.286 4.350 -0.015 0.000 0.196 137 E C 0.766 177.347 176.600 -0.031 0.000 1.047 137 E CA 0.616 57.007 56.400 -0.015 0.000 0.869 137 E CB -0.235 29.396 29.700 -0.114 0.000 0.836 137 E HN 0.848 nan 8.360 nan 0.000 0.520 138 Y N 0.036 120.367 120.300 0.053 0.000 2.478 138 Y HA 0.230 4.764 4.550 -0.026 0.000 0.261 138 Y C 2.198 178.275 175.900 0.294 0.000 1.127 138 Y CA 0.277 58.509 58.100 0.221 0.000 1.288 138 Y CB -0.110 38.513 38.460 0.272 0.000 1.084 138 Y HN 0.006 nan 8.280 nan 0.000 0.530 139 A N 0.635 123.631 122.820 0.293 0.000 1.892 139 A HA -0.256 4.055 4.320 -0.015 0.000 0.218 139 A C 1.917 179.556 177.584 0.091 0.000 1.188 139 A CA 2.122 54.281 52.037 0.202 0.000 0.631 139 A CB -0.535 18.520 19.000 0.091 0.000 0.822 139 A HN 0.506 nan 8.150 nan 0.000 0.447 140 E N -1.194 118.975 120.200 -0.051 0.000 2.478 140 E HA -0.094 4.247 4.350 -0.015 0.000 0.198 140 E C 0.727 177.119 176.600 -0.347 0.000 1.046 140 E CA 0.581 56.844 56.400 -0.230 0.000 0.870 140 E CB -0.086 29.407 29.700 -0.345 0.000 0.818 140 E HN 0.755 nan 8.360 nan 0.000 0.527 141 H N -1.351 117.738 119.070 0.033 0.000 2.755 141 H HA 0.299 4.852 4.556 -0.005 0.000 0.273 141 H C 1.637 176.984 175.328 0.031 0.000 1.055 141 H CA 0.414 56.470 56.048 0.013 0.000 1.191 141 H CB 0.657 30.406 29.762 -0.022 0.000 1.536 141 H HN 0.116 nan 8.280 nan 0.000 0.529 142 A N 0.968 123.875 122.820 0.144 0.000 2.076 142 A HA -0.127 4.183 4.320 -0.015 0.000 0.220 142 A C 2.148 179.721 177.584 -0.018 0.000 1.160 142 A CA 1.167 53.231 52.037 0.045 0.000 0.653 142 A CB -0.369 18.727 19.000 0.160 0.000 0.801 142 A HN 0.242 nan 8.150 nan 0.000 0.455 143 M N -0.445 119.163 119.600 0.014 0.000 2.441 143 M HA 0.103 4.574 4.480 -0.015 0.000 0.244 143 M C -0.265 176.051 176.300 0.027 0.000 1.122 143 M CA 0.052 55.360 55.300 0.013 0.000 1.041 143 M CB 0.197 32.806 32.600 0.014 0.000 1.438 143 M HN 0.285 nan 8.290 nan 0.000 0.484 144 E N 1.579 121.800 120.200 0.034 0.000 2.384 144 E HA 0.064 4.405 4.350 -0.015 0.000 0.266 144 E C -0.394 176.224 176.600 0.029 0.000 1.012 144 E CA 0.247 56.671 56.400 0.039 0.000 0.901 144 E CB 0.813 30.549 29.700 0.060 0.000 0.967 144 E HN 0.090 nan 8.360 nan 0.000 0.435 145 D N 1.043 121.466 120.400 0.037 0.000 4.591 145 D HA 0.317 4.948 4.640 -0.015 0.000 0.282 145 D C -0.842 175.462 176.300 0.008 0.000 1.735 145 D CA -0.382 53.639 54.000 0.036 0.000 1.015 145 D CB 0.865 41.710 40.800 0.075 0.000 1.533 145 D HN 0.287 nan 8.370 nan 0.000 0.666 146 R N -0.988 119.520 120.500 0.012 0.000 2.905 146 R HA 0.736 5.067 4.340 -0.015 0.000 0.260 146 R C -0.925 175.286 176.300 -0.149 0.000 1.086 146 R CA -0.829 55.181 56.100 -0.149 0.000 0.978 146 R CB 1.759 31.838 30.300 -0.369 0.000 1.215 146 R HN 0.405 nan 8.270 nan 0.000 0.480 147 T N -1.590 112.771 114.554 -0.322 0.000 2.856 147 T HA 0.607 4.948 4.350 -0.015 0.000 0.283 147 T C -0.600 173.860 174.700 -0.401 0.000 1.008 147 T CA -0.620 61.395 62.100 -0.142 0.000 0.997 147 T CB 0.773 69.619 68.868 -0.037 0.000 0.992 147 T HN 0.401 nan 8.240 nan 0.000 0.454 148 F N 2.970 123.021 119.950 0.169 0.000 2.584 148 F HA 0.346 4.870 4.527 -0.005 0.000 0.328 148 F C -2.279 173.645 175.800 0.207 0.000 1.407 148 F CA -2.063 56.015 58.000 0.129 0.000 1.145 148 F CB 1.401 40.433 39.000 0.054 0.000 1.440 148 F HN 0.388 nan 8.300 nan 0.000 0.580 149 P HA 0.145 nan 4.420 nan 0.000 0.275 149 P C -0.457 177.002 177.300 0.266 0.000 1.227 149 P CA -0.053 63.216 63.100 0.282 0.000 0.781 149 P CB 2.377 34.181 31.700 0.172 0.000 0.906 150 V N 3.991 124.095 119.914 0.317 0.000 2.304 150 V HA 0.156 4.267 4.120 -0.015 0.000 0.278 150 V C 0.464 176.693 176.094 0.225 0.000 1.018 150 V CA -0.138 62.319 62.300 0.261 0.000 0.814 150 V CB 0.149 32.160 31.823 0.314 0.000 1.021 150 V HN 0.713 nan 8.190 nan 0.000 0.440 151 D N 3.681 124.172 120.400 0.152 0.000 3.417 151 D HA -0.285 4.346 4.640 -0.015 0.000 0.163 151 D C 1.004 177.369 176.300 0.109 0.000 1.070 151 D CA 1.505 55.574 54.000 0.115 0.000 1.047 151 D CB -0.077 40.791 40.800 0.112 0.000 0.514 151 D HN 0.637 nan 8.370 nan 0.000 0.532 152 R N 0.635 121.189 120.500 0.090 0.000 2.586 152 R HA 0.180 4.511 4.340 -0.015 0.000 0.336 152 R C 0.430 176.755 176.300 0.043 0.000 1.060 152 R CA -0.059 56.076 56.100 0.058 0.000 1.079 152 R CB 0.462 30.782 30.300 0.033 0.000 1.317 152 R HN 0.262 nan 8.270 nan 0.000 0.568 153 D N -0.683 119.777 120.400 0.099 0.000 2.394 153 D HA 0.032 4.663 4.640 -0.015 0.000 0.226 153 D C -0.047 176.179 176.300 -0.124 0.000 0.990 153 D CA 0.896 54.920 54.000 0.040 0.000 0.902 153 D CB 0.459 41.391 40.800 0.220 0.000 1.038 153 D HN 0.019 nan 8.370 nan 0.000 0.499 154 W N 0.311 121.655 121.300 0.073 0.000 3.083 154 W HA 0.530 5.179 4.660 -0.017 0.000 0.333 154 W C -1.230 175.338 176.519 0.083 0.000 1.217 154 W CA -0.837 56.535 57.345 0.045 0.000 1.170 154 W CB 1.329 30.847 29.460 0.097 0.000 1.437 154 W HN -0.333 nan 8.180 nan 0.000 0.557 155 L N 2.727 124.107 121.223 0.261 0.000 2.404 155 L HA 0.588 4.919 4.340 -0.015 0.000 0.272 155 L C -2.009 174.980 176.870 0.199 0.000 0.980 155 L CA -1.024 53.969 54.840 0.255 0.000 0.836 155 L CB 0.535 42.702 42.059 0.180 0.000 1.238 155 L HN 0.365 nan 8.230 nan 0.000 0.408 156 Y N 5.313 125.791 120.300 0.297 0.000 2.364 156 Y HA 0.660 5.200 4.550 -0.016 0.000 0.340 156 Y C -0.668 175.434 175.900 0.337 0.000 0.975 156 Y CA -0.407 57.839 58.100 0.243 0.000 1.089 156 Y CB 1.716 40.293 38.460 0.195 0.000 1.192 156 Y HN 0.601 nan 8.280 nan 0.000 0.454 157 Y N -0.749 119.733 120.300 0.304 0.000 2.562 157 Y HA 0.850 5.387 4.550 -0.022 0.000 0.345 157 Y C -0.880 175.145 175.900 0.208 0.000 1.045 157 Y CA -1.440 56.792 58.100 0.220 0.000 1.028 157 Y CB 1.411 39.937 38.460 0.111 0.000 1.297 157 Y HN 0.534 nan 8.280 nan 0.000 0.463 158 T N 0.764 115.519 114.554 0.336 0.000 2.887 158 T HA 0.814 5.155 4.350 -0.015 0.000 0.288 158 T C -0.612 174.217 174.700 0.215 0.000 1.021 158 T CA -0.322 61.901 62.100 0.206 0.000 1.000 158 T CB 1.392 70.400 68.868 0.234 0.000 1.034 158 T HN 1.564 nan 8.240 nan 0.000 0.467 159 V N -0.428 119.571 119.914 0.141 0.000 3.182 159 V HA 0.828 4.939 4.120 -0.015 0.000 0.308 159 V C -1.163 174.970 176.094 0.065 0.000 1.240 159 V CA -1.599 60.773 62.300 0.120 0.000 1.063 159 V CB 1.951 33.865 31.823 0.152 0.000 1.076 159 V HN 1.074 nan 8.190 nan 0.000 0.446 160 R N 0.376 120.901 120.500 0.042 0.000 2.670 160 R HA 0.883 5.214 4.340 -0.015 0.000 0.289 160 R C -1.078 175.234 176.300 0.021 0.000 0.965 160 R CA -0.609 55.500 56.100 0.016 0.000 0.899 160 R CB 2.266 32.554 30.300 -0.021 0.000 1.173 160 R HN 1.067 nan 8.270 nan 0.000 0.456 161 V N -0.405 119.526 119.914 0.029 0.000 2.914 161 V HA 0.619 4.730 4.120 -0.015 0.000 0.314 161 V C -2.706 173.441 176.094 0.088 0.000 1.084 161 V CA -3.180 59.149 62.300 0.049 0.000 0.963 161 V CB 2.026 33.882 31.823 0.056 0.000 1.025 161 V HN 0.548 nan 8.190 nan 0.000 0.432 162 P HA 0.192 nan 4.420 nan 0.000 0.262 162 P C 0.614 178.095 177.300 0.300 0.000 1.182 162 P CA 0.744 63.997 63.100 0.254 0.000 0.761 162 P CB 1.008 32.887 31.700 0.297 0.000 0.795 163 A N 3.425 126.356 122.820 0.185 0.000 1.970 163 A HA 0.412 4.723 4.320 -0.015 0.000 0.216 163 A C 1.069 178.609 177.584 -0.074 0.000 1.170 163 A CA 1.610 53.670 52.037 0.037 0.000 0.645 163 A CB -0.928 18.009 19.000 -0.104 0.000 0.816 163 A HN 0.716 nan 8.150 nan 0.000 0.447 164 G N -2.647 106.053 108.800 -0.165 0.000 2.361 164 G HA2 0.287 4.238 3.960 -0.015 0.000 0.331 164 G HA3 0.287 4.238 3.960 -0.015 0.000 0.331 164 G C -3.468 171.171 174.900 -0.435 0.000 1.324 164 G CA -0.655 43.975 45.100 -0.784 0.000 0.984 164 G HN -0.013 nan 8.290 nan 0.000 0.586 165 P HA 0.317 nan 4.420 nan 0.000 0.263 165 P C -0.120 177.146 177.300 -0.058 0.000 1.175 165 P CA -0.022 62.986 63.100 -0.153 0.000 0.761 165 P CB 0.832 32.449 31.700 -0.139 0.000 0.794 166 V N 3.962 123.895 119.914 0.032 0.000 2.448 166 V HA 0.551 4.662 4.120 -0.015 0.000 0.295 166 V C 0.809 176.945 176.094 0.071 0.000 1.025 166 V CA -0.503 61.858 62.300 0.100 0.000 0.859 166 V CB 1.710 33.683 31.823 0.250 0.000 0.988 166 V HN 0.663 nan 8.190 nan 0.000 0.431 167 G N 5.140 113.978 108.800 0.063 0.000 2.327 167 G HA2 0.643 4.593 3.960 -0.015 0.000 0.302 167 G HA3 0.643 4.593 3.960 -0.015 0.000 0.302 167 G C -0.564 174.378 174.900 0.070 0.000 1.113 167 G CA -0.360 44.760 45.100 0.033 0.000 0.921 167 G HN 0.654 nan 8.290 nan 0.000 0.425 168 I N 3.526 124.134 120.570 0.063 0.000 2.328 168 I HA 0.301 4.461 4.170 -0.015 0.000 0.287 168 I C -0.240 175.915 176.117 0.064 0.000 1.012 168 I CA -0.453 60.899 61.300 0.086 0.000 1.195 168 I CB 1.502 39.573 38.000 0.119 0.000 1.350 168 I HN 0.229 nan 8.210 nan 0.000 0.464 169 I N 6.351 126.952 120.570 0.052 0.000 2.330 169 I HA 0.275 4.436 4.170 -0.015 0.000 0.289 169 I C 0.418 176.558 176.117 0.040 0.000 1.001 169 I CA -0.275 61.046 61.300 0.036 0.000 1.193 169 I CB 1.555 39.564 38.000 0.014 0.000 1.345 169 I HN 0.562 nan 8.210 nan 0.000 0.461 170 T N 4.242 118.828 114.554 0.053 0.000 2.940 170 T HA 0.639 4.979 4.350 -0.015 0.000 0.288 170 T C -2.551 172.162 174.700 0.022 0.000 1.033 170 T CA -2.032 60.102 62.100 0.056 0.000 1.033 170 T CB 2.058 70.987 68.868 0.103 0.000 1.079 170 T HN 0.262 nan 8.240 nan 0.000 0.496 171 P HA 0.217 nan 4.420 nan 0.000 0.279 171 P C 0.694 177.975 177.300 -0.032 0.000 1.276 171 P CA -0.828 62.177 63.100 -0.158 0.000 0.801 171 P CB 0.973 32.501 31.700 -0.287 0.000 1.127 172 W N 1.325 122.701 121.300 0.126 0.000 3.077 172 W HA 0.002 4.654 4.660 -0.013 0.000 0.266 172 W C 1.108 177.760 176.519 0.223 0.000 1.300 172 W CA 0.248 57.707 57.345 0.191 0.000 1.586 172 W CB -1.447 28.177 29.460 0.272 0.000 1.103 172 W HN 0.261 nan 8.180 nan 0.000 0.652 173 N N 3.140 121.885 118.700 0.076 0.000 2.142 173 N HA -0.101 4.630 4.740 -0.015 0.000 0.186 173 N C 0.710 176.407 175.510 0.311 0.000 1.023 173 N CA 1.720 54.934 53.050 0.272 0.000 0.852 173 N CB -0.736 37.753 38.487 0.003 0.000 0.998 173 N HN 0.069 nan 8.380 nan 0.000 0.424 174 A N 0.505 123.461 122.820 0.227 0.000 3.216 174 A HA 0.505 4.816 4.320 -0.015 0.000 0.321 174 A C -2.012 175.691 177.584 0.198 0.000 1.042 174 A CA -1.185 51.002 52.037 0.250 0.000 0.838 174 A CB 1.094 20.274 19.000 0.300 0.000 1.136 174 A HN -0.012 nan 8.150 nan 0.000 0.483 175 P HA -0.238 nan 4.420 nan 0.000 0.214 175 P C 1.684 179.095 177.300 0.186 0.000 1.172 175 P CA 1.084 64.302 63.100 0.198 0.000 0.925 175 P CB 0.274 32.102 31.700 0.213 0.000 0.793 176 L N -1.805 119.528 121.223 0.183 0.000 2.027 176 L HA -0.090 4.241 4.340 -0.015 0.000 0.206 176 L C 2.523 179.506 176.870 0.187 0.000 1.074 176 L CA 1.794 56.743 54.840 0.181 0.000 0.745 176 L CB -1.157 41.000 42.059 0.164 0.000 0.898 176 L HN -0.111 nan 8.230 nan 0.000 0.433 177 M N -1.185 118.518 119.600 0.173 0.000 2.065 177 M HA -0.257 4.214 4.480 -0.015 0.000 0.259 177 M C 2.031 178.428 176.300 0.161 0.000 1.071 177 M CA 2.070 57.461 55.300 0.152 0.000 1.109 177 M CB -0.202 32.480 32.600 0.136 0.000 1.313 177 M HN 0.299 nan 8.290 nan 0.000 0.408 178 L N -0.250 121.066 121.223 0.154 0.000 2.376 178 L HA -0.092 4.239 4.340 -0.015 0.000 0.219 178 L C 2.556 179.564 176.870 0.230 0.000 1.133 178 L CA 0.965 55.915 54.840 0.182 0.000 0.816 178 L CB -0.614 41.520 42.059 0.126 0.000 0.933 178 L HN 0.491 nan 8.230 nan 0.000 0.449 179 S N -1.298 114.525 115.700 0.205 0.000 2.388 179 S HA -0.130 4.330 4.470 -0.015 0.000 0.223 179 S C 2.075 176.790 174.600 0.192 0.000 1.034 179 S CA 0.956 59.276 58.200 0.200 0.000 0.963 179 S CB -0.741 62.583 63.200 0.206 0.000 0.827 179 S HN 0.484 nan 8.310 nan 0.000 0.481 180 T N -1.926 112.747 114.554 0.199 0.000 2.915 180 T HA -0.097 4.244 4.350 -0.015 0.000 0.269 180 T C 1.551 176.250 174.700 -0.001 0.000 1.071 180 T CA 0.732 62.894 62.100 0.103 0.000 1.132 180 T CB -1.020 67.985 68.868 0.228 0.000 0.878 180 T HN 0.655 nan 8.240 nan 0.000 0.479 181 W N 2.212 123.479 121.300 -0.056 0.000 2.350 181 W HA -0.145 4.505 4.660 -0.017 0.000 0.289 181 W C 1.823 178.297 176.519 -0.075 0.000 1.215 181 W CA 0.590 57.913 57.345 -0.038 0.000 1.236 181 W CB 0.044 29.509 29.460 0.008 0.000 1.130 181 W HN 0.174 nan 8.180 nan 0.000 0.541 182 R N -0.316 120.155 120.500 -0.047 0.000 2.146 182 R HA 0.065 4.396 4.340 -0.015 0.000 0.206 182 R C 2.072 178.251 176.300 -0.201 0.000 1.049 182 R CA 0.703 56.732 56.100 -0.119 0.000 1.029 182 R CB -0.983 29.367 30.300 0.084 0.000 0.949 182 R HN 0.319 nan 8.270 nan 0.000 0.471 183 I N 1.258 121.762 120.570 -0.110 0.000 2.226 183 I HA -0.216 3.945 4.170 -0.015 0.000 0.245 183 I C 2.556 178.494 176.117 -0.298 0.000 1.100 183 I CA 1.359 62.614 61.300 -0.074 0.000 1.374 183 I CB -0.507 37.571 38.000 0.130 0.000 1.057 183 I HN 0.045 nan 8.210 nan 0.000 0.413 184 A N 1.899 124.356 122.820 -0.605 0.000 1.851 184 A HA -0.141 4.170 4.320 -0.015 0.000 0.216 184 A C 0.255 177.363 177.584 -0.792 0.000 1.195 184 A CA 2.054 53.621 52.037 -0.783 0.000 0.622 184 A CB -2.088 16.365 19.000 -0.912 0.000 0.831 184 A HN 0.297 nan 8.150 nan 0.000 0.444 185 P HA -0.135 nan 4.420 nan 0.000 0.216 185 P C 1.650 178.106 177.300 -1.407 0.000 1.153 185 P CA 2.000 64.005 63.100 -1.825 0.000 0.848 185 P CB -0.218 30.262 31.700 -2.032 0.000 0.787 186 A N 0.592 122.748 122.820 -1.107 0.000 1.873 186 A HA -0.175 4.136 4.320 -0.015 0.000 0.218 186 A C 2.512 180.010 177.584 -0.143 0.000 1.193 186 A CA 1.801 53.495 52.037 -0.572 0.000 0.629 186 A CB -1.675 17.208 19.000 -0.195 0.000 0.826 186 A HN 0.136 nan 8.150 nan 0.000 0.447 187 L N -1.070 120.107 121.223 -0.077 0.000 2.056 187 L HA -0.155 4.176 4.340 -0.015 0.000 0.207 187 L C 3.121 180.137 176.870 0.243 0.000 1.078 187 L CA 0.961 55.955 54.840 0.257 0.000 0.749 187 L CB -0.650 41.557 42.059 0.248 0.000 0.901 187 L HN 0.452 nan 8.230 nan 0.000 0.433 188 A N 0.162 122.919 122.820 -0.106 0.000 1.940 188 A HA -0.190 4.121 4.320 -0.015 0.000 0.219 188 A C 1.935 179.511 177.584 -0.014 0.000 1.176 188 A CA 1.454 53.404 52.037 -0.145 0.000 0.631 188 A CB -0.869 17.881 19.000 -0.416 0.000 0.814 188 A HN 0.444 nan 8.150 nan 0.000 0.446 189 F N -0.676 119.281 119.950 0.011 0.000 2.769 189 F HA 0.312 4.834 4.527 -0.009 0.000 0.304 189 F C 1.782 177.618 175.800 0.060 0.000 1.158 189 F CA 0.210 58.230 58.000 0.032 0.000 1.398 189 F CB 0.109 39.128 39.000 0.032 0.000 1.094 189 F HN 0.419 nan 8.300 nan 0.000 0.553 190 G N 0.435 109.358 108.800 0.204 0.000 2.141 190 G HA2 -0.253 3.698 3.960 -0.015 0.000 0.242 190 G HA3 -0.253 3.698 3.960 -0.015 0.000 0.242 190 G C -0.167 174.992 174.900 0.432 0.000 0.982 190 G CA -0.490 44.661 45.100 0.086 0.000 0.662 190 G HN 0.314 nan 8.290 nan 0.000 0.527 191 N N 0.808 119.843 118.700 0.558 0.000 2.489 191 N HA 0.613 5.344 4.740 -0.015 0.000 0.284 191 N C 0.639 176.445 175.510 0.494 0.000 1.158 191 N CA 0.470 53.882 53.050 0.604 0.000 0.965 191 N CB 1.383 40.104 38.487 0.389 0.000 1.195 191 N HN 0.474 nan 8.380 nan 0.000 0.506 192 T N -2.416 112.362 114.554 0.373 0.000 2.862 192 T HA 0.693 5.034 4.350 -0.015 0.000 0.276 192 T C 0.122 174.855 174.700 0.054 0.000 0.974 192 T CA -0.596 61.564 62.100 0.100 0.000 0.966 192 T CB 0.957 69.885 68.868 0.099 0.000 1.072 192 T HN 0.131 nan 8.240 nan 0.000 0.538 193 V N 0.124 120.025 119.914 -0.022 0.000 3.049 193 V HA 0.627 4.738 4.120 -0.015 0.000 0.309 193 V C -0.985 175.003 176.094 -0.177 0.000 1.148 193 V CA -0.858 61.422 62.300 -0.034 0.000 0.990 193 V CB 2.453 34.323 31.823 0.077 0.000 1.039 193 V HN 0.895 nan 8.190 nan 0.000 0.430 194 V N 4.461 124.281 119.914 -0.157 0.000 2.447 194 V HA 0.445 4.556 4.120 -0.015 0.000 0.292 194 V C -0.721 175.281 176.094 -0.155 0.000 1.021 194 V CA -0.415 61.755 62.300 -0.216 0.000 0.850 194 V CB 1.554 33.278 31.823 -0.164 0.000 1.005 194 V HN 0.665 nan 8.190 nan 0.000 0.426 195 L N 5.209 126.301 121.223 -0.218 0.000 2.307 195 L HA 0.695 5.026 4.340 -0.015 0.000 0.282 195 L C -0.209 176.652 176.870 -0.015 0.000 1.051 195 L CA 0.253 55.059 54.840 -0.056 0.000 0.804 195 L CB 1.130 43.209 42.059 0.032 0.000 1.197 195 L HN 0.428 nan 8.230 nan 0.000 0.431 196 K N 6.187 126.604 120.400 0.028 0.000 2.579 196 K HA 0.508 4.819 4.320 -0.015 0.000 0.225 196 K C -2.742 173.898 176.600 0.067 0.000 0.992 196 K CA -2.125 54.185 56.287 0.039 0.000 1.018 196 K CB 1.279 33.786 32.500 0.012 0.000 1.249 196 K HN 0.373 nan 8.250 nan 0.000 0.489 197 P HA 0.099 nan 4.420 nan 0.000 0.272 197 P C -0.776 176.590 177.300 0.111 0.000 1.223 197 P CA -0.383 62.791 63.100 0.123 0.000 0.784 197 P CB 0.602 32.392 31.700 0.150 0.000 0.923 198 A N 2.539 125.439 122.820 0.134 0.000 2.511 198 A HA 0.044 4.354 4.320 -0.015 0.000 0.242 198 A C 1.534 179.217 177.584 0.165 0.000 1.069 198 A CA -0.212 51.910 52.037 0.142 0.000 0.763 198 A CB -0.130 19.027 19.000 0.262 0.000 1.001 198 A HN 0.690 nan 8.150 nan 0.000 0.498 199 E N 1.879 122.122 120.200 0.073 0.000 2.204 199 E HA -0.201 4.140 4.350 -0.015 0.000 0.195 199 E C 0.468 177.303 176.600 0.391 0.000 0.990 199 E CA 1.006 57.478 56.400 0.121 0.000 0.821 199 E CB -0.196 29.412 29.700 -0.153 0.000 0.750 199 E HN 0.854 nan 8.360 nan 0.000 0.477 200 W N 2.233 123.623 121.300 0.150 0.000 3.077 200 W HA 0.119 4.770 4.660 -0.015 0.000 0.245 200 W C 0.593 177.172 176.519 0.101 0.000 1.316 200 W CA 0.668 58.066 57.345 0.088 0.000 1.537 200 W CB -0.246 29.141 29.460 -0.121 0.000 1.131 200 W HN 0.089 nan 8.180 nan 0.000 0.695 201 S N -1.527 114.365 115.700 0.319 0.000 2.787 201 S HA 0.162 4.623 4.470 -0.015 0.000 0.140 201 S C -1.672 172.985 174.600 0.095 0.000 1.240 201 S CA -0.703 57.614 58.200 0.195 0.000 1.163 201 S CB 1.048 64.434 63.200 0.310 0.000 1.652 201 S HN -0.119 nan 8.310 nan 0.000 0.443 202 P HA 0.143 nan 4.420 nan 0.000 0.235 202 P C 1.081 178.323 177.300 -0.097 0.000 1.177 202 P CA 0.133 63.170 63.100 -0.104 0.000 0.785 202 P CB -0.205 31.402 31.700 -0.156 0.000 0.885 203 F N 1.727 121.739 119.950 0.103 0.000 2.102 203 F HA -0.169 4.349 4.527 -0.015 0.000 0.298 203 F C 2.642 178.484 175.800 0.069 0.000 1.105 203 F CA 1.876 59.911 58.000 0.059 0.000 1.239 203 F CB -1.711 37.309 39.000 0.034 0.000 0.991 203 F HN -0.027 nan 8.300 nan 0.000 0.474 204 T N -1.535 113.177 114.554 0.263 0.000 2.929 204 T HA -0.115 4.226 4.350 -0.015 0.000 0.271 204 T C 1.933 176.734 174.700 0.168 0.000 1.085 204 T CA 0.836 63.049 62.100 0.187 0.000 1.125 204 T CB -0.644 68.328 68.868 0.173 0.000 0.874 204 T HN 0.268 nan 8.240 nan 0.000 0.494 205 A N 1.612 124.544 122.820 0.187 0.000 1.898 205 A HA -0.001 4.310 4.320 -0.015 0.000 0.216 205 A C 2.619 180.340 177.584 0.229 0.000 1.181 205 A CA 1.854 54.017 52.037 0.209 0.000 0.620 205 A CB -1.350 17.778 19.000 0.214 0.000 0.819 205 A HN 0.500 nan 8.150 nan 0.000 0.442 206 T N -0.461 114.228 114.554 0.226 0.000 2.867 206 T HA -0.097 4.244 4.350 -0.015 0.000 0.268 206 T C 2.047 176.856 174.700 0.181 0.000 1.057 206 T CA 1.770 64.028 62.100 0.264 0.000 1.136 206 T CB -0.127 68.862 68.868 0.200 0.000 0.874 206 T HN 0.478 nan 8.240 nan 0.000 0.466 207 K N 1.333 121.796 120.400 0.105 0.000 2.057 207 K HA 0.030 4.340 4.320 -0.015 0.000 0.206 207 K C 2.004 178.594 176.600 -0.017 0.000 1.050 207 K CA 0.906 57.200 56.287 0.013 0.000 0.935 207 K CB -0.834 31.671 32.500 0.009 0.000 0.715 207 K HN 0.215 nan 8.250 nan 0.000 0.439 208 L N 0.494 121.727 121.223 0.017 0.000 2.079 208 L HA -0.032 4.299 4.340 -0.015 0.000 0.210 208 L C 2.058 178.823 176.870 -0.176 0.000 1.081 208 L CA 2.200 56.998 54.840 -0.070 0.000 0.752 208 L CB -1.037 41.015 42.059 -0.011 0.000 0.896 208 L HN 0.229 nan 8.230 nan 0.000 0.433 209 A N -0.825 121.976 122.820 -0.031 0.000 1.902 209 A HA -0.222 4.089 4.320 -0.015 0.000 0.217 209 A C 2.158 179.628 177.584 -0.189 0.000 1.181 209 A CA 1.768 53.720 52.037 -0.142 0.000 0.623 209 A CB -0.612 18.455 19.000 0.111 0.000 0.818 209 A HN 0.619 nan 8.150 nan 0.000 0.443 210 E N -0.318 119.954 120.200 0.120 0.000 2.077 210 E HA -0.163 4.177 4.350 -0.015 0.000 0.193 210 E C 1.882 178.430 176.600 -0.087 0.000 0.989 210 E CA 1.265 57.731 56.400 0.110 0.000 0.800 210 E CB -0.303 29.397 29.700 -0.000 0.000 0.746 210 E HN 0.703 nan 8.360 nan 0.000 0.452 211 I N 0.581 121.047 120.570 -0.173 0.000 2.226 211 I HA -0.266 3.894 4.170 -0.015 0.000 0.245 211 I C 2.119 178.108 176.117 -0.213 0.000 1.100 211 I CA 0.732 61.917 61.300 -0.192 0.000 1.374 211 I CB -0.086 37.793 38.000 -0.202 0.000 1.057 211 I HN 0.106 nan 8.210 nan 0.000 0.413 212 L N 0.703 121.726 121.223 -0.334 0.000 2.141 212 L HA -0.186 4.145 4.340 -0.015 0.000 0.209 212 L C 2.413 179.128 176.870 -0.259 0.000 1.094 212 L CA 1.660 56.273 54.840 -0.378 0.000 0.763 212 L CB -0.735 40.952 42.059 -0.620 0.000 0.908 212 L HN 0.160 nan 8.230 nan 0.000 0.437 213 K N -0.244 120.002 120.400 -0.257 0.000 2.103 213 K HA -0.206 4.105 4.320 -0.015 0.000 0.204 213 K C 2.064 178.659 176.600 -0.009 0.000 1.052 213 K CA 1.265 57.487 56.287 -0.108 0.000 0.945 213 K CB 0.022 32.495 32.500 -0.045 0.000 0.722 213 K HN 0.331 nan 8.250 nan 0.000 0.443 214 E N -0.153 120.036 120.200 -0.018 0.000 2.204 214 E HA -0.125 4.216 4.350 -0.015 0.000 0.194 214 E C 1.304 177.924 176.600 0.033 0.000 0.989 214 E CA 0.801 57.217 56.400 0.026 0.000 0.824 214 E CB -0.004 29.718 29.700 0.036 0.000 0.756 214 E HN 0.426 nan 8.360 nan 0.000 0.477 215 A N 0.873 123.697 122.820 0.007 0.000 2.235 215 A HA -0.053 4.258 4.320 -0.015 0.000 0.208 215 A C 0.625 178.303 177.584 0.156 0.000 1.172 215 A CA 0.864 52.938 52.037 0.061 0.000 0.786 215 A CB -0.080 18.933 19.000 0.023 0.000 0.804 215 A HN 0.446 nan 8.150 nan 0.000 0.479 216 D N -2.266 118.198 120.400 0.106 0.000 2.723 216 D HA -0.153 4.478 4.640 -0.015 0.000 0.236 216 D C -0.370 176.028 176.300 0.163 0.000 1.138 216 D CA 0.399 54.486 54.000 0.145 0.000 0.676 216 D CB -1.779 39.127 40.800 0.175 0.000 1.069 216 D HN 0.324 nan 8.370 nan 0.000 0.430 217 L N 0.440 121.644 121.223 -0.032 0.000 2.453 217 L HA 0.400 4.731 4.340 -0.015 0.000 0.272 217 L C -1.612 175.134 176.870 -0.207 0.000 1.182 217 L CA -0.897 53.743 54.840 -0.335 0.000 0.858 217 L CB 0.203 42.041 42.059 -0.370 0.000 1.120 217 L HN -0.007 nan 8.230 nan 0.000 0.474 218 P HA 0.060 nan 4.420 nan 0.000 0.266 218 P C -2.534 174.717 177.300 -0.082 0.000 1.193 218 P CA -0.650 62.400 63.100 -0.084 0.000 0.770 218 P CB -0.292 31.395 31.700 -0.021 0.000 0.836 219 P HA -0.013 nan 4.420 nan 0.000 0.268 219 P C 0.861 178.137 177.300 -0.041 0.000 1.204 219 P CA 0.847 63.942 63.100 -0.009 0.000 0.768 219 P CB 0.422 32.111 31.700 -0.019 0.000 0.842 220 G N 1.737 110.512 108.800 -0.042 0.000 2.241 220 G HA2 -0.317 3.634 3.960 -0.015 0.000 0.244 220 G HA3 -0.317 3.634 3.960 -0.015 0.000 0.244 220 G C 0.921 175.766 174.900 -0.091 0.000 0.998 220 G CA 0.210 45.271 45.100 -0.064 0.000 0.621 220 G HN 0.387 nan 8.290 nan 0.000 0.519 221 V N -0.302 119.515 119.914 -0.161 0.000 2.343 221 V HA 0.241 4.352 4.120 -0.015 0.000 0.247 221 V C 1.153 177.128 176.094 -0.198 0.000 1.051 221 V CA 2.171 64.263 62.300 -0.347 0.000 1.036 221 V CB -0.244 31.113 31.823 -0.778 0.000 0.654 221 V HN 0.557 nan 8.190 nan 0.000 0.451 222 F N 1.254 121.073 119.950 -0.219 0.000 2.507 222 F HA 0.529 5.046 4.527 -0.016 0.000 0.328 222 F C -0.321 175.493 175.800 0.023 0.000 1.136 222 F CA -0.863 57.061 58.000 -0.127 0.000 0.930 222 F CB 0.942 39.835 39.000 -0.178 0.000 1.166 222 F HN 0.002 nan 8.300 nan 0.000 0.436 223 N N 5.946 124.216 118.700 -0.715 0.000 2.292 223 N HA 0.592 5.323 4.740 -0.015 0.000 0.303 223 N C -2.074 173.028 175.510 -0.680 0.000 1.140 223 N CA -0.673 52.102 53.050 -0.458 0.000 0.788 223 N CB 2.867 41.196 38.487 -0.262 0.000 1.361 223 N HN 0.613 nan 8.380 nan 0.000 0.489 224 L N 0.800 121.862 121.223 -0.268 0.000 2.408 224 L HA 0.608 4.939 4.340 -0.015 0.000 0.268 224 L C -1.609 175.298 176.870 0.061 0.000 0.986 224 L CA -0.642 54.133 54.840 -0.107 0.000 0.820 224 L CB 1.934 44.054 42.059 0.102 0.000 1.303 224 L HN 0.272 nan 8.230 nan 0.000 0.411 225 V N 5.034 124.991 119.914 0.072 0.000 2.445 225 V HA 0.411 4.522 4.120 -0.015 0.000 0.283 225 V C -0.396 175.841 176.094 0.238 0.000 1.014 225 V CA -0.653 61.718 62.300 0.118 0.000 0.852 225 V CB 1.260 33.001 31.823 -0.137 0.000 1.021 225 V HN 0.772 nan 8.190 nan 0.000 0.435 226 Q N 2.315 122.408 119.800 0.490 0.000 2.394 226 Q HA 0.677 5.008 4.340 -0.015 0.000 0.248 226 Q C 0.576 176.756 176.000 0.300 0.000 0.992 226 Q CA 0.509 56.505 55.803 0.322 0.000 0.888 226 Q CB 1.878 30.743 28.738 0.213 0.000 1.257 226 Q HN 1.045 nan 8.270 nan 0.000 0.462 227 G N 0.430 109.295 108.800 0.107 0.000 2.352 227 G HA2 0.175 4.126 3.960 -0.015 0.000 0.302 227 G HA3 0.175 4.126 3.960 -0.015 0.000 0.302 227 G C -1.437 173.183 174.900 -0.467 0.000 1.370 227 G CA -1.109 43.824 45.100 -0.278 0.000 0.918 227 G HN 0.356 nan 8.290 nan 0.000 0.610 228 F N 0.644 120.401 119.950 -0.321 0.000 2.410 228 F HA 0.440 4.957 4.527 -0.016 0.000 0.334 228 F C 1.966 177.658 175.800 -0.180 0.000 1.134 228 F CA 0.320 58.135 58.000 -0.309 0.000 1.227 228 F CB 1.345 40.177 39.000 -0.280 0.000 1.194 228 F HN 0.649 nan 8.300 nan 0.000 0.571 229 G N 0.800 109.621 108.800 0.035 0.000 2.418 229 G HA2 -0.217 3.734 3.960 -0.015 0.000 0.217 229 G HA3 -0.217 3.734 3.960 -0.015 0.000 0.217 229 G C 1.195 176.094 174.900 -0.003 0.000 1.158 229 G CA 0.583 45.674 45.100 -0.015 0.000 0.771 229 G HN 0.634 nan 8.290 nan 0.000 0.545 230 E N 0.490 120.690 120.200 -0.001 0.000 2.268 230 E HA 0.032 4.373 4.350 -0.015 0.000 0.195 230 E C 2.145 178.758 176.600 0.022 0.000 0.995 230 E CA 1.028 57.424 56.400 -0.006 0.000 0.836 230 E CB 0.055 29.733 29.700 -0.037 0.000 0.763 230 E HN 0.663 nan 8.360 nan 0.000 0.491 231 E N -0.150 120.084 120.200 0.057 0.000 2.225 231 E HA 0.254 4.595 4.350 -0.015 0.000 0.202 231 E C 2.017 178.629 176.600 0.020 0.000 0.987 231 E CA 0.417 56.848 56.400 0.051 0.000 1.010 231 E CB -0.282 29.477 29.700 0.097 0.000 1.464 231 E HN 0.152 nan 8.360 nan 0.000 0.508 232 A N 1.489 124.311 122.820 0.004 0.000 1.902 232 A HA -0.070 4.241 4.320 -0.015 0.000 0.217 232 A C 2.288 179.864 177.584 -0.013 0.000 1.181 232 A CA 1.895 53.921 52.037 -0.019 0.000 0.623 232 A CB -1.302 17.679 19.000 -0.032 0.000 0.818 232 A HN 0.349 nan 8.150 nan 0.000 0.443 233 G N -0.329 108.468 108.800 -0.006 0.000 2.480 233 G HA2 -0.034 3.917 3.960 -0.015 0.000 0.216 233 G HA3 -0.034 3.917 3.960 -0.015 0.000 0.216 233 G C 1.813 176.712 174.900 -0.001 0.000 1.200 233 G CA 1.662 46.759 45.100 -0.006 0.000 0.782 233 G HN 0.832 nan 8.290 nan 0.000 0.554 234 A N 1.106 123.927 122.820 0.001 0.000 1.908 234 A HA 0.188 4.499 4.320 -0.015 0.000 0.218 234 A C 2.817 180.409 177.584 0.013 0.000 1.181 234 A CA 2.488 54.528 52.037 0.005 0.000 0.627 234 A CB -0.824 18.177 19.000 0.003 0.000 0.818 234 A HN 0.895 nan 8.150 nan 0.000 0.445 235 A N -0.601 122.226 122.820 0.013 0.000 1.933 235 A HA -0.023 4.288 4.320 -0.015 0.000 0.218 235 A C 2.120 179.728 177.584 0.040 0.000 1.175 235 A CA 1.732 53.782 52.037 0.023 0.000 0.628 235 A CB -0.577 18.434 19.000 0.018 0.000 0.814 235 A HN 0.729 nan 8.150 nan 0.000 0.444 236 L N 0.028 121.262 121.223 0.018 0.000 2.046 236 L HA -0.094 4.237 4.340 -0.015 0.000 0.208 236 L C 2.340 179.226 176.870 0.027 0.000 1.077 236 L CA 1.927 56.774 54.840 0.011 0.000 0.747 236 L CB -0.617 41.432 42.059 -0.016 0.000 0.896 236 L HN 0.144 nan 8.230 nan 0.000 0.432 237 V N 0.166 120.094 119.914 0.024 0.000 2.407 237 V HA -0.255 3.855 4.120 -0.015 0.000 0.248 237 V C 2.711 178.832 176.094 0.045 0.000 1.055 237 V CA 1.622 63.941 62.300 0.031 0.000 1.049 237 V CB -1.355 30.483 31.823 0.026 0.000 0.662 237 V HN 0.607 nan 8.190 nan 0.000 0.455 238 A N -2.040 120.807 122.820 0.045 0.000 2.123 238 A HA -0.061 4.250 4.320 -0.015 0.000 0.214 238 A C 1.336 178.892 177.584 -0.046 0.000 1.152 238 A CA 0.213 52.284 52.037 0.057 0.000 0.728 238 A CB -0.555 18.473 19.000 0.045 0.000 0.814 238 A HN 0.586 nan 8.150 nan 0.000 0.464 239 H N 0.699 119.690 119.070 -0.132 0.000 3.046 239 H HA 0.100 4.646 4.556 -0.015 0.000 0.303 239 H C -1.798 173.284 175.328 -0.410 0.000 1.002 239 H CA -1.417 54.500 56.048 -0.219 0.000 1.460 239 H CB 1.115 30.788 29.762 -0.149 0.000 1.493 239 H HN 0.057 nan 8.280 nan 0.000 0.559 240 P HA -0.120 nan 4.420 nan 0.000 0.219 240 P C 1.231 178.409 177.300 -0.204 0.000 1.146 240 P CA 1.090 63.814 63.100 -0.627 0.000 0.808 240 P CB 0.234 31.659 31.700 -0.459 0.000 0.779 241 L N -2.005 119.274 121.223 0.093 0.000 2.592 241 L HA 0.094 4.425 4.340 -0.015 0.000 0.227 241 L C 0.169 176.996 176.870 -0.072 0.000 1.127 241 L CA 0.026 54.837 54.840 -0.048 0.000 0.884 241 L CB 0.177 42.181 42.059 -0.093 0.000 1.065 241 L HN -0.245 nan 8.230 nan 0.000 0.457 242 V N 1.395 121.275 119.914 -0.058 0.000 2.276 242 V HA 0.188 4.298 4.120 -0.015 0.000 0.268 242 V C -1.304 174.753 176.094 -0.062 0.000 1.032 242 V CA -0.861 61.393 62.300 -0.075 0.000 0.810 242 V CB 1.055 32.835 31.823 -0.071 0.000 1.060 242 V HN 0.002 nan 8.190 nan 0.000 0.446 243 P HA -0.049 nan 4.420 nan 0.000 0.220 243 P C 0.198 177.468 177.300 -0.051 0.000 1.148 243 P CA 0.682 63.742 63.100 -0.066 0.000 0.803 243 P CB 0.750 32.392 31.700 -0.097 0.000 0.782 244 L N -0.215 120.979 121.223 -0.049 0.000 2.334 244 L HA 0.419 4.750 4.340 -0.015 0.000 0.276 244 L C 0.057 177.005 176.870 0.130 0.000 1.014 244 L CA -0.505 54.338 54.840 0.006 0.000 0.815 244 L CB 1.716 43.699 42.059 -0.126 0.000 1.268 244 L HN -0.183 nan 8.230 nan 0.000 0.428 245 L N 1.895 123.262 121.223 0.240 0.000 2.438 245 L HA 0.640 4.970 4.340 -0.015 0.000 0.270 245 L C -0.419 176.539 176.870 0.147 0.000 0.972 245 L CA -0.583 54.357 54.840 0.167 0.000 0.831 245 L CB 2.371 44.485 42.059 0.091 0.000 1.273 245 L HN 0.659 nan 8.230 nan 0.000 0.405 246 T N 0.855 115.458 114.554 0.083 0.000 2.855 246 T HA 0.773 5.114 4.350 -0.015 0.000 0.281 246 T C -0.877 173.819 174.700 -0.008 0.000 1.007 246 T CA -0.697 61.378 62.100 -0.042 0.000 1.009 246 T CB 2.155 71.021 68.868 -0.003 0.000 0.983 246 T HN 0.330 nan 8.240 nan 0.000 0.455 247 L N 1.995 123.196 121.223 -0.036 0.000 2.431 247 L HA 0.764 5.095 4.340 -0.015 0.000 0.266 247 L C -0.943 175.920 176.870 -0.012 0.000 0.978 247 L CA -0.182 54.649 54.840 -0.016 0.000 0.822 247 L CB 2.559 44.604 42.059 -0.024 0.000 1.310 247 L HN 0.926 nan 8.230 nan 0.000 0.409 248 T N 4.158 118.707 114.554 -0.008 0.000 3.008 248 T HA 0.837 5.178 4.350 -0.015 0.000 0.328 248 T C -0.125 174.528 174.700 -0.078 0.000 1.020 248 T CA -0.029 62.064 62.100 -0.011 0.000 1.043 248 T CB 1.073 69.964 68.868 0.038 0.000 1.010 248 T HN 1.050 nan 8.240 nan 0.000 0.466 249 G N 2.116 110.853 108.800 -0.106 0.000 2.474 249 G HA2 0.444 4.395 3.960 -0.015 0.000 0.234 249 G HA3 0.444 4.395 3.960 -0.015 0.000 0.234 249 G C -1.514 173.284 174.900 -0.170 0.000 1.204 249 G CA -0.774 44.215 45.100 -0.185 0.000 0.939 249 G HN 0.510 nan 8.290 nan 0.000 0.491 250 E N -0.038 120.068 120.200 -0.156 0.000 2.374 250 E HA 0.365 4.706 4.350 -0.015 0.000 0.260 250 E C 1.034 177.622 176.600 -0.019 0.000 1.101 250 E CA 0.076 56.422 56.400 -0.089 0.000 0.907 250 E CB 1.202 30.862 29.700 -0.066 0.000 1.014 250 E HN 0.336 nan 8.360 nan 0.000 0.427 251 T N 1.778 116.359 114.554 0.045 0.000 2.708 251 T HA -0.153 4.188 4.350 -0.015 0.000 0.266 251 T C 1.334 176.040 174.700 0.010 0.000 1.037 251 T CA 1.035 63.163 62.100 0.047 0.000 1.146 251 T CB -0.028 68.889 68.868 0.082 0.000 0.865 251 T HN 0.387 nan 8.240 nan 0.000 0.435 252 E N 0.960 121.167 120.200 0.013 0.000 2.110 252 E HA -0.090 4.251 4.350 -0.015 0.000 0.193 252 E C 2.442 179.035 176.600 -0.012 0.000 0.988 252 E CA 1.161 57.561 56.400 -0.000 0.000 0.804 252 E CB -0.654 29.051 29.700 0.009 0.000 0.745 252 E HN 0.472 nan 8.360 nan 0.000 0.458 253 T N 0.287 114.829 114.554 -0.019 0.000 2.788 253 T HA -0.092 4.249 4.350 -0.015 0.000 0.268 253 T C 1.873 176.558 174.700 -0.025 0.000 1.044 253 T CA 1.282 63.364 62.100 -0.030 0.000 1.139 253 T CB -0.435 68.405 68.868 -0.048 0.000 0.867 253 T HN 0.367 nan 8.240 nan 0.000 0.454 254 G N 1.746 110.533 108.800 -0.022 0.000 2.422 254 G HA2 -0.200 3.751 3.960 -0.015 0.000 0.218 254 G HA3 -0.200 3.751 3.960 -0.015 0.000 0.218 254 G C 1.604 176.495 174.900 -0.016 0.000 1.146 254 G CA 0.619 45.708 45.100 -0.019 0.000 0.769 254 G HN 0.436 nan 8.290 nan 0.000 0.547 255 K N -0.102 120.288 120.400 -0.016 0.000 2.057 255 K HA 0.069 4.380 4.320 -0.015 0.000 0.206 255 K C 2.435 179.026 176.600 -0.014 0.000 1.050 255 K CA 0.881 57.159 56.287 -0.016 0.000 0.935 255 K CB -0.224 32.266 32.500 -0.018 0.000 0.715 255 K HN 0.318 nan 8.250 nan 0.000 0.439 256 I N 0.743 121.305 120.570 -0.015 0.000 2.179 256 I HA -0.275 3.885 4.170 -0.015 0.000 0.242 256 I C 2.271 178.383 176.117 -0.009 0.000 1.088 256 I CA 1.081 62.373 61.300 -0.014 0.000 1.357 256 I CB -0.305 37.684 38.000 -0.018 0.000 1.051 256 I HN -0.068 nan 8.210 nan 0.000 0.409 257 V N 0.457 120.366 119.914 -0.009 0.000 2.343 257 V HA -0.341 3.770 4.120 -0.015 0.000 0.247 257 V C 2.424 178.521 176.094 0.005 0.000 1.051 257 V CA 2.082 64.380 62.300 -0.002 0.000 1.036 257 V CB -0.464 31.357 31.823 -0.004 0.000 0.654 257 V HN 0.455 nan 8.190 nan 0.000 0.451 258 M N -0.423 119.177 119.600 -0.000 0.000 2.086 258 M HA -0.215 4.256 4.480 -0.015 0.000 0.261 258 M C 2.438 178.739 176.300 0.002 0.000 1.067 258 M CA 1.935 57.237 55.300 0.003 0.000 1.116 258 M CB -0.230 32.367 32.600 -0.003 0.000 1.348 258 M HN 0.174 nan 8.290 nan 0.000 0.407 259 R N 0.224 120.721 120.500 -0.004 0.000 2.083 259 R HA -0.180 4.151 4.340 -0.015 0.000 0.237 259 R C 1.583 177.880 176.300 -0.005 0.000 1.137 259 R CA 2.503 58.598 56.100 -0.008 0.000 0.951 259 R CB -0.428 29.866 30.300 -0.011 0.000 0.851 259 R HN 0.595 nan 8.270 nan 0.000 0.434 260 N N -0.446 118.256 118.700 0.003 0.000 2.270 260 N HA -0.096 4.635 4.740 -0.015 0.000 0.181 260 N C 1.619 177.148 175.510 0.032 0.000 1.016 260 N CA 0.669 53.726 53.050 0.012 0.000 0.870 260 N CB -0.036 38.460 38.487 0.015 0.000 0.979 260 N HN 0.266 nan 8.380 nan 0.000 0.431 261 A N 1.249 124.089 122.820 0.033 0.000 2.015 261 A HA 0.086 4.397 4.320 -0.015 0.000 0.219 261 A C 2.323 179.933 177.584 0.042 0.000 1.163 261 A CA 1.240 53.309 52.037 0.053 0.000 0.646 261 A CB -0.536 18.489 19.000 0.043 0.000 0.806 261 A HN 0.319 nan 8.150 nan 0.000 0.448 262 A N 0.602 123.428 122.820 0.010 0.000 1.978 262 A HA -0.219 4.092 4.320 -0.015 0.000 0.220 262 A C 1.598 179.152 177.584 -0.050 0.000 1.170 262 A CA 1.995 54.024 52.037 -0.013 0.000 0.636 262 A CB -0.698 18.289 19.000 -0.022 0.000 0.810 262 A HN 0.472 nan 8.150 nan 0.000 0.448 263 D N -1.024 119.331 120.400 -0.074 0.000 2.228 263 D HA -0.142 4.489 4.640 -0.015 0.000 0.203 263 D C 0.778 176.812 176.300 -0.444 0.000 0.988 263 D CA 1.631 55.498 54.000 -0.222 0.000 0.864 263 D CB -0.252 40.428 40.800 -0.199 0.000 0.928 263 D HN 0.762 nan 8.370 nan 0.000 0.469 264 H N -1.406 117.649 119.070 -0.025 0.000 2.767 264 H HA 0.395 4.942 4.556 -0.016 0.000 0.260 264 H C 0.086 175.401 175.328 -0.022 0.000 1.172 264 H CA -0.318 55.714 56.048 -0.027 0.000 1.048 264 H CB 0.241 29.986 29.762 -0.030 0.000 1.697 264 H HN -0.147 nan 8.280 nan 0.000 0.606 265 L N 1.215 122.459 121.223 0.035 0.000 3.739 265 L HA -0.318 4.013 4.340 -0.015 0.000 0.442 265 L C -0.263 176.628 176.870 0.035 0.000 1.241 265 L CA 0.690 55.543 54.840 0.022 0.000 0.819 265 L CB -1.136 40.926 42.059 0.005 0.000 1.679 265 L HN 0.375 nan 8.230 nan 0.000 0.889 266 K N 0.667 121.099 120.400 0.054 0.000 2.295 266 K HA 0.309 4.620 4.320 -0.015 0.000 0.270 266 K C 0.598 177.225 176.600 0.045 0.000 1.011 266 K CA -0.583 55.731 56.287 0.046 0.000 0.953 266 K CB 0.796 33.331 32.500 0.059 0.000 0.956 266 K HN 0.164 nan 8.250 nan 0.000 0.477 267 R N 2.416 122.939 120.500 0.039 0.000 2.308 267 R HA 0.211 4.541 4.340 -0.015 0.000 0.305 267 R C -1.087 175.356 176.300 0.239 0.000 1.053 267 R CA -0.526 55.627 56.100 0.088 0.000 0.957 267 R CB 0.415 30.689 30.300 -0.043 0.000 1.022 267 R HN 0.371 nan 8.270 nan 0.000 0.461 268 L N 2.611 123.978 121.223 0.239 0.000 2.362 268 L HA 0.393 4.724 4.340 -0.015 0.000 0.271 268 L C -0.954 175.909 176.870 -0.012 0.000 1.002 268 L CA 0.119 55.051 54.840 0.153 0.000 0.818 268 L CB 2.292 44.382 42.059 0.052 0.000 1.298 268 L HN 0.579 nan 8.230 nan 0.000 0.420 269 S N 5.936 121.434 115.700 -0.338 0.000 2.252 269 S HA 0.589 5.050 4.470 -0.015 0.000 0.187 269 S C -2.797 171.619 174.600 -0.306 0.000 1.587 269 S CA -1.136 56.694 58.200 -0.617 0.000 1.215 269 S CB 0.353 62.620 63.200 -1.556 0.000 1.085 269 S HN 0.516 nan 8.310 nan 0.000 0.466 270 P HA 0.417 nan 4.420 nan 0.000 0.296 270 P C -1.211 176.052 177.300 -0.061 0.000 1.306 270 P CA -0.475 62.573 63.100 -0.087 0.000 0.818 270 P CB 1.184 32.850 31.700 -0.057 0.000 0.969 271 E N 3.201 123.387 120.200 -0.025 0.000 2.149 271 E HA 0.331 4.672 4.350 -0.015 0.000 0.255 271 E C 0.032 176.629 176.600 -0.006 0.000 0.888 271 E CA -0.510 55.889 56.400 -0.001 0.000 0.742 271 E CB 1.057 30.812 29.700 0.093 0.000 1.164 271 E HN 0.390 nan 8.360 nan 0.000 0.422 272 L N 0.742 121.960 121.223 -0.009 0.000 2.994 272 L HA 0.536 4.867 4.340 -0.015 0.000 0.198 272 L C 1.328 178.201 176.870 0.005 0.000 1.530 272 L CA -0.874 53.966 54.840 0.001 0.000 1.565 272 L CB -0.056 42.024 42.059 0.034 0.000 2.470 272 L HN 0.484 nan 8.230 nan 0.000 0.564 273 G N -1.593 107.229 108.800 0.037 0.000 2.525 273 G HA2 0.506 4.457 3.960 -0.015 0.000 0.276 273 G HA3 0.506 4.457 3.960 -0.015 0.000 0.276 273 G C -0.472 174.323 174.900 -0.175 0.000 1.388 273 G CA 0.243 45.301 45.100 -0.070 0.000 1.050 273 G HN 0.840 nan 8.290 nan 0.000 0.520 274 G N -2.274 106.161 108.800 -0.608 0.000 2.547 274 G HA2 0.468 4.419 3.960 -0.015 0.000 0.291 274 G HA3 0.468 4.419 3.960 -0.015 0.000 0.291 274 G C -1.294 173.198 174.900 -0.679 0.000 1.471 274 G CA -0.507 44.246 45.100 -0.577 0.000 0.798 274 G HN 0.594 nan 8.290 nan 0.000 0.504 275 K N 0.601 120.810 120.400 -0.319 0.000 3.350 275 K HA 0.438 4.748 4.320 -0.015 0.000 0.181 275 K C 0.197 176.809 176.600 0.020 0.000 1.064 275 K CA -0.346 55.867 56.287 -0.122 0.000 0.839 275 K CB 0.150 32.676 32.500 0.043 0.000 0.819 275 K HN 0.455 nan 8.250 nan 0.000 0.523 276 S N 3.664 119.383 115.700 0.031 0.000 2.596 276 S HA 0.078 4.539 4.470 -0.015 0.000 0.298 276 S C -2.234 172.468 174.600 0.170 0.000 1.255 276 S CA -0.398 57.875 58.200 0.122 0.000 1.083 276 S CB 0.134 63.458 63.200 0.206 0.000 0.837 276 S HN 0.384 nan 8.310 nan 0.000 0.499 277 P HA 0.508 nan 4.420 nan 0.000 0.285 277 P C -1.544 175.940 177.300 0.306 0.000 1.269 277 P CA -0.939 62.273 63.100 0.186 0.000 0.844 277 P CB 1.277 33.053 31.700 0.127 0.000 1.094 278 A N 2.894 125.880 122.820 0.276 0.000 2.311 278 A HA 0.571 4.882 4.320 -0.015 0.000 0.306 278 A C -0.960 176.807 177.584 0.306 0.000 1.189 278 A CA -0.562 51.705 52.037 0.382 0.000 0.791 278 A CB 0.125 19.298 19.000 0.289 0.000 1.172 278 A HN 0.353 nan 8.150 nan 0.000 0.481 279 L N 3.139 124.566 121.223 0.339 0.000 2.262 279 L HA 0.456 4.787 4.340 -0.015 0.000 0.288 279 L C -0.278 176.789 176.870 0.328 0.000 1.035 279 L CA -0.150 54.833 54.840 0.238 0.000 0.820 279 L CB 1.456 43.605 42.059 0.149 0.000 1.204 279 L HN 0.401 nan 8.230 nan 0.000 0.424 280 V N 4.317 124.318 119.914 0.145 0.000 2.347 280 V HA 0.431 4.542 4.120 -0.015 0.000 0.280 280 V C -0.103 175.929 176.094 -0.103 0.000 1.021 280 V CA -0.504 61.796 62.300 -0.001 0.000 0.847 280 V CB 0.804 32.330 31.823 -0.495 0.000 0.990 280 V HN 0.364 nan 8.190 nan 0.000 0.444 281 F N 2.125 122.158 119.950 0.139 0.000 2.397 281 F HA 0.546 5.064 4.527 -0.015 0.000 0.331 281 F C 1.498 177.307 175.800 0.014 0.000 1.090 281 F CA -0.138 57.951 58.000 0.149 0.000 1.065 281 F CB 1.718 40.819 39.000 0.168 0.000 1.184 281 F HN 0.533 nan 8.300 nan 0.000 0.499 282 A N 1.072 123.986 122.820 0.157 0.000 2.024 282 A HA -0.210 4.101 4.320 -0.015 0.000 0.220 282 A C 1.831 179.473 177.584 0.096 0.000 1.164 282 A CA 1.997 54.077 52.037 0.071 0.000 0.643 282 A CB -0.778 18.258 19.000 0.060 0.000 0.806 282 A HN 0.818 nan 8.150 nan 0.000 0.451 283 D N -0.284 120.205 120.400 0.149 0.000 2.340 283 D HA 0.306 4.937 4.640 -0.015 0.000 0.220 283 D C 0.760 177.123 176.300 0.104 0.000 1.039 283 D CA 0.620 54.684 54.000 0.107 0.000 0.866 283 D CB -0.383 40.471 40.800 0.091 0.000 0.913 283 D HN 0.375 nan 8.370 nan 0.000 0.523 284 A N 0.592 123.492 122.820 0.133 0.000 2.296 284 A HA 0.164 4.475 4.320 -0.015 0.000 0.264 284 A C 0.252 177.903 177.584 0.112 0.000 1.097 284 A CA -0.363 51.760 52.037 0.142 0.000 0.811 284 A CB 0.247 19.375 19.000 0.214 0.000 1.072 284 A HN 0.129 nan 8.150 nan 0.000 0.495 285 D N 0.879 121.358 120.400 0.131 0.000 2.383 285 D HA 0.161 4.791 4.640 -0.015 0.000 0.245 285 D C 0.870 177.240 176.300 0.116 0.000 1.263 285 D CA 0.055 54.123 54.000 0.112 0.000 0.936 285 D CB 0.171 41.043 40.800 0.120 0.000 1.053 285 D HN 0.435 nan 8.370 nan 0.000 0.507 286 L N 2.839 124.122 121.223 0.100 0.000 2.275 286 L HA -0.084 4.246 4.340 -0.015 0.000 0.215 286 L C 2.158 179.132 176.870 0.174 0.000 1.119 286 L CA 0.680 55.604 54.840 0.141 0.000 0.790 286 L CB -0.072 42.082 42.059 0.159 0.000 0.919 286 L HN 0.398 nan 8.230 nan 0.000 0.443 287 E N -0.081 120.182 120.200 0.104 0.000 2.107 287 E HA -0.187 4.154 4.350 -0.015 0.000 0.191 287 E C 2.253 178.886 176.600 0.056 0.000 0.982 287 E CA 0.572 57.011 56.400 0.065 0.000 0.809 287 E CB 0.035 29.761 29.700 0.044 0.000 0.756 287 E HN 0.335 nan 8.360 nan 0.000 0.459 288 R N 0.695 121.243 120.500 0.080 0.000 2.073 288 R HA -0.049 4.282 4.340 -0.015 0.000 0.229 288 R C 2.272 178.610 176.300 0.064 0.000 1.120 288 R CA 1.063 57.218 56.100 0.092 0.000 0.967 288 R CB -0.130 30.259 30.300 0.148 0.000 0.862 288 R HN 0.097 nan 8.270 nan 0.000 0.436 289 A N 1.399 124.231 122.820 0.020 0.000 1.908 289 A HA -0.195 4.116 4.320 -0.015 0.000 0.218 289 A C 2.036 179.524 177.584 -0.159 0.000 1.181 289 A CA 1.317 53.147 52.037 -0.346 0.000 0.627 289 A CB -0.622 18.164 19.000 -0.357 0.000 0.818 289 A HN 0.378 nan 8.150 nan 0.000 0.445 290 L N 0.103 121.372 121.223 0.076 0.000 2.017 290 L HA -0.180 4.151 4.340 -0.015 0.000 0.208 290 L C 1.703 178.513 176.870 -0.099 0.000 1.073 290 L CA 2.649 57.444 54.840 -0.075 0.000 0.745 290 L CB -0.731 41.230 42.059 -0.162 0.000 0.894 290 L HN 0.334 nan 8.230 nan 0.000 0.432 291 D N -0.134 120.230 120.400 -0.060 0.000 2.097 291 D HA -0.159 4.472 4.640 -0.015 0.000 0.195 291 D C 2.193 178.467 176.300 -0.043 0.000 0.989 291 D CA 1.627 55.595 54.000 -0.053 0.000 0.827 291 D CB -0.282 40.486 40.800 -0.053 0.000 0.966 291 D HN 0.510 nan 8.370 nan 0.000 0.456 292 A N 0.483 123.283 122.820 -0.033 0.000 1.877 292 A HA -0.138 4.172 4.320 -0.015 0.000 0.216 292 A C 2.543 180.126 177.584 -0.002 0.000 1.186 292 A CA 1.414 53.479 52.037 0.046 0.000 0.620 292 A CB -0.806 18.353 19.000 0.264 0.000 0.822 292 A HN 0.149 nan 8.150 nan 0.000 0.443 293 V N -0.389 119.446 119.914 -0.133 0.000 2.343 293 V HA -0.213 3.898 4.120 -0.015 0.000 0.247 293 V C 2.570 178.562 176.094 -0.169 0.000 1.051 293 V CA 1.880 64.085 62.300 -0.157 0.000 1.036 293 V CB -0.735 31.008 31.823 -0.134 0.000 0.654 293 V HN 0.363 nan 8.190 nan 0.000 0.451 294 V N -0.548 119.307 119.914 -0.098 0.000 2.295 294 V HA -0.280 3.831 4.120 -0.015 0.000 0.246 294 V C 2.144 178.237 176.094 -0.002 0.000 1.049 294 V CA 2.575 64.862 62.300 -0.023 0.000 1.024 294 V CB -0.686 31.173 31.823 0.060 0.000 0.648 294 V HN 0.589 nan 8.190 nan 0.000 0.447 295 F N 0.753 120.629 119.950 -0.123 0.000 2.113 295 F HA -0.195 4.323 4.527 -0.016 0.000 0.297 295 F C 2.499 178.197 175.800 -0.170 0.000 1.103 295 F CA 2.017 59.935 58.000 -0.135 0.000 1.248 295 F CB -0.197 38.680 39.000 -0.204 0.000 0.999 295 F HN 0.105 nan 8.300 nan 0.000 0.475 296 Q N 0.281 120.000 119.800 -0.135 0.000 2.364 296 Q HA -0.141 4.190 4.340 -0.015 0.000 0.209 296 Q C 1.651 177.415 176.000 -0.394 0.000 0.977 296 Q CA 1.574 57.208 55.803 -0.281 0.000 0.885 296 Q CB -0.427 28.100 28.738 -0.351 0.000 0.941 296 Q HN 0.608 nan 8.270 nan 0.000 0.464 297 I N -1.814 118.472 120.570 -0.473 0.000 3.616 297 I HA 0.130 4.291 4.170 -0.015 0.000 0.296 297 I C 0.914 176.718 176.117 -0.523 0.000 1.226 297 I CA 0.648 61.614 61.300 -0.556 0.000 1.394 297 I CB 0.143 37.691 38.000 -0.752 0.000 1.171 297 I HN 0.137 nan 8.210 nan 0.000 0.442 298 F N 0.604 120.417 119.950 -0.228 0.000 2.698 298 F HA 0.188 4.706 4.527 -0.015 0.000 0.295 298 F C 1.639 177.276 175.800 -0.271 0.000 1.124 298 F CA 0.049 57.927 58.000 -0.204 0.000 1.426 298 F CB -0.314 38.593 39.000 -0.154 0.000 1.120 298 F HN -0.021 nan 8.300 nan 0.000 0.583 299 S N -0.324 115.166 115.700 -0.351 0.000 2.584 299 S HA 0.074 4.535 4.470 -0.015 0.000 0.270 299 S C 0.191 174.709 174.600 -0.136 0.000 1.346 299 S CA -0.473 57.431 58.200 -0.493 0.000 1.018 299 S CB 0.314 62.691 63.200 -1.372 0.000 0.899 299 S HN 0.360 nan 8.310 nan 0.000 0.542 300 F N 0.249 120.024 119.950 -0.291 0.000 3.006 300 F HA -0.245 4.273 4.527 -0.015 0.000 0.289 300 F C 0.681 176.408 175.800 -0.122 0.000 0.772 300 F CA 0.921 58.814 58.000 -0.178 0.000 1.162 300 F CB -2.235 36.631 39.000 -0.223 0.000 1.382 300 F HN 0.822 nan 8.300 nan 0.000 0.406 301 N N -1.160 117.557 118.700 0.028 0.000 2.714 301 N HA -0.226 4.505 4.740 -0.015 0.000 0.250 301 N C 1.149 176.695 175.510 0.060 0.000 1.117 301 N CA 2.022 55.104 53.050 0.054 0.000 0.719 301 N CB -1.565 36.962 38.487 0.067 0.000 1.081 301 N HN 1.304 nan 8.380 nan 0.000 0.557 302 G N -0.587 108.214 108.800 0.001 0.000 2.189 302 G HA2 -0.351 3.600 3.960 -0.015 0.000 0.267 302 G HA3 -0.351 3.600 3.960 -0.015 0.000 0.267 302 G C -0.104 174.639 174.900 -0.261 0.000 0.975 302 G CA 0.661 45.708 45.100 -0.089 0.000 0.644 302 G HN 0.611 nan 8.290 nan 0.000 0.537 303 E N 0.368 120.412 120.200 -0.259 0.000 2.127 303 E HA 0.413 4.754 4.350 -0.015 0.000 0.262 303 E C 0.537 176.579 176.600 -0.929 0.000 1.144 303 E CA -0.295 55.683 56.400 -0.703 0.000 1.144 303 E CB 0.082 29.769 29.700 -0.021 0.000 1.297 303 E HN 0.765 nan 8.360 nan 0.000 0.469 304 R N -0.942 118.901 120.500 -1.096 0.000 2.604 304 R HA 0.323 4.654 4.340 -0.015 0.000 0.270 304 R C -0.146 175.943 176.300 -0.352 0.000 1.052 304 R CA -0.734 54.963 56.100 -0.671 0.000 0.902 304 R CB -0.110 29.713 30.300 -0.794 0.000 1.233 304 R HN 0.091 nan 8.270 nan 0.000 0.455 305 C N 0.762 120.054 119.300 -0.014 0.000 2.410 305 C HA -0.096 4.355 4.460 -0.015 0.000 0.281 305 C C 2.060 177.050 174.990 0.001 0.000 1.318 305 C CA 1.319 60.393 59.018 0.093 0.000 1.776 305 C CB -0.913 26.885 27.740 0.097 0.000 1.942 305 C HN 0.920 nan 8.230 nan 0.000 0.508 306 T N -1.292 113.246 114.554 -0.026 0.000 3.188 306 T HA 0.453 4.794 4.350 -0.015 0.000 0.250 306 T C 0.467 175.193 174.700 0.043 0.000 1.077 306 T CA 0.440 62.577 62.100 0.061 0.000 0.967 306 T CB -0.233 68.719 68.868 0.140 0.000 1.006 306 T HN 0.447 nan 8.240 nan 0.000 0.552 307 A N 2.079 124.844 122.820 -0.092 0.000 2.511 307 A HA 0.479 4.789 4.320 -0.015 0.000 0.242 307 A C 0.926 178.462 177.584 -0.079 0.000 1.069 307 A CA -0.324 51.621 52.037 -0.154 0.000 0.763 307 A CB -0.012 18.853 19.000 -0.226 0.000 1.001 307 A HN 0.688 nan 8.150 nan 0.000 0.498 308 S N 2.195 117.804 115.700 -0.152 0.000 3.919 308 S HA 0.222 4.683 4.470 -0.015 0.000 0.245 308 S C 0.930 175.468 174.600 -0.103 0.000 1.344 308 S CA -0.022 58.131 58.200 -0.077 0.000 0.896 308 S CB -0.131 62.941 63.200 -0.213 0.000 1.557 308 S HN 1.118 nan 8.310 nan 0.000 0.468 309 S N 1.809 117.470 115.700 -0.065 0.000 2.555 309 S HA 0.108 4.569 4.470 -0.015 0.000 0.230 309 S C 0.636 175.226 174.600 -0.016 0.000 0.978 309 S CA -0.220 57.939 58.200 -0.068 0.000 0.934 309 S CB -0.144 63.017 63.200 -0.064 0.000 0.766 309 S HN 0.688 nan 8.310 nan 0.000 0.533 310 R N 0.470 120.983 120.500 0.022 0.000 2.480 310 R HA 0.553 4.884 4.340 -0.015 0.000 0.306 310 R C -1.816 174.531 176.300 0.079 0.000 0.958 310 R CA -0.741 55.396 56.100 0.060 0.000 0.861 310 R CB 1.730 32.077 30.300 0.080 0.000 1.171 310 R HN 0.212 nan 8.270 nan 0.000 0.445 311 L N 5.041 126.317 121.223 0.088 0.000 2.318 311 L HA 0.401 4.731 4.340 -0.015 0.000 0.277 311 L C -1.371 175.592 176.870 0.154 0.000 1.008 311 L CA -0.257 54.644 54.840 0.102 0.000 0.846 311 L CB 1.056 43.150 42.059 0.059 0.000 1.220 311 L HN 0.546 nan 8.230 nan 0.000 0.423 312 L N 6.101 127.438 121.223 0.191 0.000 2.261 312 L HA 0.541 4.871 4.340 -0.015 0.000 0.289 312 L C -0.641 176.420 176.870 0.319 0.000 1.059 312 L CA -0.527 54.492 54.840 0.299 0.000 0.816 312 L CB 1.327 43.550 42.059 0.274 0.000 1.191 312 L HN 0.340 nan 8.230 nan 0.000 0.431 313 V N 2.784 122.798 119.914 0.168 0.000 2.540 313 V HA 0.207 4.318 4.120 -0.015 0.000 0.302 313 V C 0.127 175.779 176.094 -0.738 0.000 1.035 313 V CA -0.898 61.300 62.300 -0.169 0.000 0.873 313 V CB 1.925 33.659 31.823 -0.149 0.000 0.992 313 V HN 0.699 nan 8.190 nan 0.000 0.428 314 E N 2.935 122.379 120.200 -1.260 0.000 2.480 314 E HA -0.015 4.325 4.350 -0.015 0.000 0.258 314 E C 0.977 177.255 176.600 -0.536 0.000 0.984 314 E CA 0.184 55.742 56.400 -1.405 0.000 0.930 314 E CB 0.587 29.857 29.700 -0.717 0.000 0.936 314 E HN 0.717 nan 8.360 nan 0.000 0.466 315 E N 4.286 124.228 120.200 -0.429 0.000 2.108 315 E HA -0.334 4.007 4.350 -0.015 0.000 0.203 315 E C 1.777 178.339 176.600 -0.063 0.000 1.022 315 E CA 2.092 58.387 56.400 -0.175 0.000 0.823 315 E CB -0.149 29.451 29.700 -0.167 0.000 0.744 315 E HN 0.635 nan 8.360 nan 0.000 0.456 316 K N 1.146 121.501 120.400 -0.076 0.000 2.281 316 K HA -0.170 4.141 4.320 -0.015 0.000 0.203 316 K C 1.865 178.466 176.600 0.002 0.000 1.046 316 K CA 1.868 58.142 56.287 -0.023 0.000 0.938 316 K CB -0.414 32.078 32.500 -0.014 0.000 0.737 316 K HN 0.426 nan 8.250 nan 0.000 0.458 317 I N -4.563 116.001 120.570 -0.009 0.000 4.147 317 I HA 0.244 4.405 4.170 -0.015 0.000 0.329 317 I C 1.405 177.563 176.117 0.069 0.000 1.424 317 I CA -0.734 60.579 61.300 0.022 0.000 1.127 317 I CB -0.050 37.939 38.000 -0.018 0.000 1.128 317 I HN -0.184 nan 8.210 nan 0.000 0.417 318 F N 2.773 122.679 119.950 -0.073 0.000 2.065 318 F HA -0.215 4.303 4.527 -0.016 0.000 0.298 318 F C 2.394 178.208 175.800 0.023 0.000 1.112 318 F CA 2.253 60.230 58.000 -0.038 0.000 1.212 318 F CB 0.135 39.084 39.000 -0.085 0.000 0.975 318 F HN 0.093 nan 8.300 nan 0.000 0.476 319 E N 0.398 120.757 120.200 0.265 0.000 2.038 319 E HA -0.231 4.110 4.350 -0.015 0.000 0.195 319 E C 1.843 178.468 176.600 0.042 0.000 1.000 319 E CA 1.810 58.305 56.400 0.159 0.000 0.803 319 E CB -0.581 29.200 29.700 0.134 0.000 0.750 319 E HN 0.561 nan 8.360 nan 0.000 0.448 320 D N -1.415 119.015 120.400 0.049 0.000 2.077 320 D HA -0.154 4.477 4.640 -0.015 0.000 0.196 320 D C 1.767 178.069 176.300 0.004 0.000 0.986 320 D CA 1.120 55.136 54.000 0.027 0.000 0.829 320 D CB -0.253 40.577 40.800 0.050 0.000 0.983 320 D HN 0.168 nan 8.370 nan 0.000 0.453 321 F N 0.454 120.333 119.950 -0.118 0.000 2.069 321 F HA -0.175 4.343 4.527 -0.015 0.000 0.298 321 F C 2.164 177.841 175.800 -0.206 0.000 1.113 321 F CA 1.168 59.076 58.000 -0.154 0.000 1.214 321 F CB -0.451 38.448 39.000 -0.168 0.000 0.978 321 F HN -0.095 nan 8.300 nan 0.000 0.474 322 V N 0.254 120.045 119.914 -0.205 0.000 2.407 322 V HA -0.254 3.857 4.120 -0.015 0.000 0.248 322 V C 2.707 178.643 176.094 -0.262 0.000 1.055 322 V CA 1.867 63.964 62.300 -0.337 0.000 1.049 322 V CB -1.641 29.832 31.823 -0.582 0.000 0.662 322 V HN 0.568 nan 8.190 nan 0.000 0.455 323 G N -0.243 108.445 108.800 -0.188 0.000 2.422 323 G HA2 -0.239 3.712 3.960 -0.015 0.000 0.218 323 G HA3 -0.239 3.712 3.960 -0.015 0.000 0.218 323 G C 1.653 176.451 174.900 -0.170 0.000 1.146 323 G CA 0.738 45.758 45.100 -0.133 0.000 0.769 323 G HN 0.485 nan 8.290 nan 0.000 0.547 324 K N -0.074 120.182 120.400 -0.240 0.000 2.148 324 K HA 0.045 4.356 4.320 -0.015 0.000 0.204 324 K C 2.509 178.927 176.600 -0.303 0.000 1.050 324 K CA 0.693 56.821 56.287 -0.265 0.000 0.942 324 K CB -0.096 32.213 32.500 -0.318 0.000 0.724 324 K HN 0.222 nan 8.250 nan 0.000 0.446 325 V N 0.887 120.566 119.914 -0.391 0.000 2.358 325 V HA -0.206 3.905 4.120 -0.015 0.000 0.246 325 V C 2.223 178.236 176.094 -0.135 0.000 1.047 325 V CA 1.355 63.477 62.300 -0.296 0.000 1.035 325 V CB -0.244 31.389 31.823 -0.317 0.000 0.658 325 V HN 0.063 nan 8.190 nan 0.000 0.452 326 V N -0.155 119.680 119.914 -0.131 0.000 2.287 326 V HA -0.223 3.888 4.120 -0.015 0.000 0.248 326 V C 2.635 178.672 176.094 -0.095 0.000 1.053 326 V CA 1.913 64.161 62.300 -0.087 0.000 1.027 326 V CB -0.649 31.123 31.823 -0.085 0.000 0.646 326 V HN 0.527 nan 8.190 nan 0.000 0.447 327 E N -0.052 120.085 120.200 -0.106 0.000 2.110 327 E HA -0.172 4.168 4.350 -0.015 0.000 0.193 327 E C 2.418 178.957 176.600 -0.100 0.000 0.988 327 E CA 0.911 57.253 56.400 -0.097 0.000 0.804 327 E CB -0.363 29.282 29.700 -0.093 0.000 0.745 327 E HN 0.443 nan 8.360 nan 0.000 0.458 328 R N 0.418 120.855 120.500 -0.105 0.000 2.066 328 R HA 0.008 4.339 4.340 -0.015 0.000 0.232 328 R C 2.237 178.472 176.300 -0.108 0.000 1.131 328 R CA 1.181 57.226 56.100 -0.093 0.000 0.955 328 R CB -0.837 29.414 30.300 -0.082 0.000 0.851 328 R HN 0.169 nan 8.270 nan 0.000 0.432 329 A N 1.106 123.859 122.820 -0.111 0.000 1.933 329 A HA -0.173 4.138 4.320 -0.015 0.000 0.218 329 A C 2.267 179.687 177.584 -0.273 0.000 1.175 329 A CA 1.406 53.274 52.037 -0.281 0.000 0.628 329 A CB -0.481 18.375 19.000 -0.239 0.000 0.814 329 A HN 0.226 nan 8.150 nan 0.000 0.444 330 R N -0.529 119.868 120.500 -0.172 0.000 2.120 330 R HA -0.077 4.254 4.340 -0.015 0.000 0.234 330 R C 1.947 178.172 176.300 -0.126 0.000 1.123 330 R CA 1.244 57.261 56.100 -0.139 0.000 0.975 330 R CB -0.260 29.978 30.300 -0.103 0.000 0.866 330 R HN 0.458 nan 8.270 nan 0.000 0.446 331 A N 0.685 123.432 122.820 -0.122 0.000 2.251 331 A HA 0.155 4.466 4.320 -0.015 0.000 0.209 331 A C 0.582 178.089 177.584 -0.129 0.000 1.187 331 A CA -0.198 51.776 52.037 -0.105 0.000 0.823 331 A CB 0.042 18.988 19.000 -0.089 0.000 0.846 331 A HN 0.116 nan 8.150 nan 0.000 0.486 332 I N 1.333 121.800 120.570 -0.171 0.000 2.752 332 I HA -0.041 4.120 4.170 -0.015 0.000 0.289 332 I C 0.492 176.505 176.117 -0.173 0.000 1.197 332 I CA 0.517 61.701 61.300 -0.193 0.000 1.432 332 I CB -0.116 37.714 38.000 -0.284 0.000 1.359 332 I HN 0.291 nan 8.210 nan 0.000 0.571 333 R N 5.067 125.425 120.500 -0.237 0.000 2.248 333 R HA 0.324 4.655 4.340 -0.015 0.000 0.337 333 R C -0.694 175.524 176.300 -0.137 0.000 1.085 333 R CA -0.370 55.521 56.100 -0.348 0.000 0.934 333 R CB 0.545 30.275 30.300 -0.949 0.000 1.034 333 R HN 0.328 nan 8.270 nan 0.000 0.465 334 V N 3.163 123.133 119.914 0.094 0.000 2.383 334 V HA 0.669 4.780 4.120 -0.015 0.000 0.275 334 V C 0.782 177.058 176.094 0.303 0.000 1.036 334 V CA -0.170 62.222 62.300 0.154 0.000 0.889 334 V CB 1.327 33.191 31.823 0.070 0.000 0.985 334 V HN 1.032 nan 8.190 nan 0.000 0.459 335 G N 2.717 111.708 108.800 0.318 0.000 2.490 335 G HA2 0.262 4.213 3.960 -0.015 0.000 0.308 335 G HA3 0.262 4.213 3.960 -0.015 0.000 0.308 335 G C -1.265 173.848 174.900 0.354 0.000 1.286 335 G CA -0.728 44.530 45.100 0.263 0.000 0.825 335 G HN 0.612 nan 8.290 nan 0.000 0.479 336 H N 1.067 120.259 119.070 0.202 0.000 2.848 336 H HA 0.192 4.739 4.556 -0.015 0.000 0.341 336 H C -1.455 173.992 175.328 0.199 0.000 1.060 336 H CA -0.793 55.390 56.048 0.225 0.000 1.444 336 H CB 1.928 31.764 29.762 0.123 0.000 1.446 336 H HN 0.000 nan 8.280 nan 0.000 0.583 337 P HA -0.148 nan 4.420 nan 0.000 0.216 337 P C 1.701 179.143 177.300 0.238 0.000 1.150 337 P CA 1.136 64.295 63.100 0.097 0.000 0.843 337 P CB 0.225 31.897 31.700 -0.046 0.000 0.787 338 L N -1.557 119.957 121.223 0.486 0.000 2.291 338 L HA -0.037 4.294 4.340 -0.015 0.000 0.214 338 L C 1.034 178.026 176.870 0.204 0.000 1.120 338 L CA 0.421 55.437 54.840 0.292 0.000 0.799 338 L CB -0.767 41.427 42.059 0.224 0.000 0.925 338 L HN 0.005 nan 8.230 nan 0.000 0.446 339 D N 1.262 121.813 120.400 0.253 0.000 2.371 339 D HA 0.017 4.648 4.640 -0.015 0.000 0.256 339 D C -1.417 174.993 176.300 0.184 0.000 1.193 339 D CA -2.005 52.117 54.000 0.203 0.000 0.881 339 D CB 1.333 42.294 40.800 0.269 0.000 1.143 339 D HN -0.024 nan 8.370 nan 0.000 0.473 340 P HA -0.094 nan 4.420 nan 0.000 0.228 340 P C 0.562 177.911 177.300 0.081 0.000 1.151 340 P CA 0.725 63.883 63.100 0.098 0.000 0.770 340 P CB 0.581 32.329 31.700 0.079 0.000 0.786 341 E N -0.354 119.921 120.200 0.123 0.000 2.340 341 E HA 0.034 4.375 4.350 -0.015 0.000 0.194 341 E C 0.523 177.019 176.600 -0.174 0.000 0.996 341 E CA 0.425 56.839 56.400 0.023 0.000 0.869 341 E CB -0.505 29.294 29.700 0.165 0.000 0.835 341 E HN 0.213 nan 8.360 nan 0.000 0.493 342 T N 1.766 116.330 114.554 0.016 0.000 2.934 342 T HA 0.004 4.345 4.350 -0.015 0.000 0.306 342 T C 1.062 175.710 174.700 -0.087 0.000 1.042 342 T CA 0.564 62.647 62.100 -0.028 0.000 1.145 342 T CB 0.910 69.911 68.868 0.221 0.000 0.982 342 T HN 0.112 nan 8.240 nan 0.000 0.544 343 E N 1.209 121.325 120.200 -0.139 0.000 2.256 343 E HA 0.167 4.508 4.350 -0.015 0.000 0.198 343 E C -0.081 176.486 176.600 -0.055 0.000 0.908 343 E CA 0.149 56.491 56.400 -0.098 0.000 0.915 343 E CB 0.694 30.313 29.700 -0.136 0.000 0.890 343 E HN 0.265 nan 8.360 nan 0.000 0.484 344 V N 1.196 121.093 119.914 -0.028 0.000 2.483 344 V HA 0.499 4.610 4.120 -0.015 0.000 0.297 344 V C 0.215 176.368 176.094 0.099 0.000 1.027 344 V CA -0.644 61.662 62.300 0.010 0.000 0.855 344 V CB 1.467 33.278 31.823 -0.021 0.000 0.995 344 V HN 0.238 nan 8.190 nan 0.000 0.424 345 G N 5.434 114.277 108.800 0.072 0.000 2.671 345 G HA2 0.697 4.647 3.960 -0.015 0.000 0.275 345 G HA3 0.697 4.647 3.960 -0.015 0.000 0.275 345 G C -2.784 172.047 174.900 -0.115 0.000 1.368 345 G CA -1.415 43.734 45.100 0.082 0.000 1.044 345 G HN 0.538 nan 8.290 nan 0.000 0.543 346 P HA 0.258 nan 4.420 nan 0.000 0.277 346 P C -0.041 177.069 177.300 -0.317 0.000 1.240 346 P CA -0.307 62.312 63.100 -0.801 0.000 0.798 346 P CB 1.338 32.257 31.700 -1.301 0.000 0.979 347 L N 2.405 123.506 121.223 -0.203 0.000 2.472 347 L HA 0.066 4.397 4.340 -0.015 0.000 0.260 347 L C 2.362 179.140 176.870 -0.153 0.000 1.209 347 L CA -0.506 54.307 54.840 -0.044 0.000 0.817 347 L CB -0.114 41.989 42.059 0.073 0.000 1.106 347 L HN 0.310 nan 8.230 nan 0.000 0.479 348 I N 0.005 120.460 120.570 -0.192 0.000 2.185 348 I HA -0.222 3.939 4.170 -0.015 0.000 0.246 348 I C 0.808 176.611 176.117 -0.524 0.000 1.088 348 I CA 1.811 62.862 61.300 -0.416 0.000 1.347 348 I CB -0.318 37.095 38.000 -0.978 0.000 1.041 348 I HN 0.547 nan 8.210 nan 0.000 0.415 349 H N -0.850 117.772 119.070 -0.746 0.000 3.046 349 H HA 0.252 4.799 4.556 -0.015 0.000 0.361 349 H C -2.377 172.653 175.328 -0.496 0.000 1.235 349 H CA -1.253 54.288 56.048 -0.845 0.000 1.146 349 H CB 2.050 30.691 29.762 -1.868 0.000 1.859 349 H HN -0.253 nan 8.280 nan 0.000 0.548 350 P HA -0.098 nan 4.420 nan 0.000 0.220 350 P C 0.760 178.060 177.300 -0.001 0.000 1.148 350 P CA 1.149 64.111 63.100 -0.230 0.000 0.803 350 P CB 0.478 32.011 31.700 -0.277 0.000 0.782 351 E N -1.366 118.994 120.200 0.267 0.000 2.150 351 E HA -0.205 4.135 4.350 -0.015 0.000 0.193 351 E C 2.096 178.826 176.600 0.216 0.000 0.985 351 E CA 0.729 57.278 56.400 0.247 0.000 0.814 351 E CB -0.430 29.456 29.700 0.311 0.000 0.752 351 E HN 0.377 nan 8.360 nan 0.000 0.466 352 H N 0.259 119.344 119.070 0.025 0.000 2.372 352 H HA -0.033 4.514 4.556 -0.015 0.000 0.301 352 H C 1.879 177.271 175.328 0.107 0.000 1.065 352 H CA 0.893 57.009 56.048 0.113 0.000 1.364 352 H CB -0.026 29.738 29.762 0.003 0.000 1.406 352 H HN 0.096 nan 8.280 nan 0.000 0.521 353 L N 0.616 121.825 121.223 -0.023 0.000 2.127 353 L HA -0.128 4.203 4.340 -0.015 0.000 0.211 353 L C 2.246 179.102 176.870 -0.023 0.000 1.089 353 L CA 1.846 56.655 54.840 -0.052 0.000 0.757 353 L CB -0.844 41.192 42.059 -0.039 0.000 0.899 353 L HN 0.317 nan 8.230 nan 0.000 0.434 354 Q N -0.054 119.750 119.800 0.008 0.000 2.046 354 Q HA -0.221 4.109 4.340 -0.015 0.000 0.200 354 Q C 2.505 178.520 176.000 0.025 0.000 0.975 354 Q CA 1.915 57.732 55.803 0.023 0.000 0.836 354 Q CB -0.383 28.380 28.738 0.042 0.000 0.896 354 Q HN 0.517 nan 8.270 nan 0.000 0.428 355 R N -0.699 119.825 120.500 0.040 0.000 2.081 355 R HA -0.103 4.228 4.340 -0.015 0.000 0.235 355 R C 1.969 178.336 176.300 0.112 0.000 1.131 355 R CA 1.605 57.743 56.100 0.064 0.000 0.960 355 R CB -0.224 30.170 30.300 0.157 0.000 0.856 355 R HN 0.267 nan 8.270 nan 0.000 0.436 356 V N 1.417 121.361 119.914 0.050 0.000 2.358 356 V HA -0.225 3.886 4.120 -0.015 0.000 0.246 356 V C 2.382 178.573 176.094 0.161 0.000 1.047 356 V CA 1.494 63.876 62.300 0.137 0.000 1.035 356 V CB -0.351 31.471 31.823 -0.002 0.000 0.658 356 V HN 0.333 nan 8.190 nan 0.000 0.452 357 L N 0.423 121.698 121.223 0.087 0.000 2.131 357 L HA -0.076 4.255 4.340 -0.015 0.000 0.210 357 L C 2.583 179.500 176.870 0.078 0.000 1.092 357 L CA 1.517 56.408 54.840 0.086 0.000 0.759 357 L CB -0.986 41.103 42.059 0.052 0.000 0.903 357 L HN 0.475 nan 8.230 nan 0.000 0.435 358 G N -1.133 107.686 108.800 0.032 0.000 2.422 358 G HA2 -0.276 3.675 3.960 -0.015 0.000 0.218 358 G HA3 -0.276 3.675 3.960 -0.015 0.000 0.218 358 G C 1.337 176.191 174.900 -0.077 0.000 1.146 358 G CA 0.509 45.577 45.100 -0.054 0.000 0.769 358 G HN 0.300 nan 8.290 nan 0.000 0.547 359 Y N 0.151 120.476 120.300 0.043 0.000 2.263 359 Y HA -0.047 4.494 4.550 -0.015 0.000 0.292 359 Y C 3.017 178.935 175.900 0.029 0.000 1.130 359 Y CA 0.636 58.755 58.100 0.032 0.000 1.179 359 Y CB -0.106 38.383 38.460 0.047 0.000 0.998 359 Y HN 0.039 nan 8.280 nan 0.000 0.532 360 V N 0.052 120.117 119.914 0.253 0.000 2.287 360 V HA -0.316 3.795 4.120 -0.015 0.000 0.248 360 V C 2.238 178.467 176.094 0.225 0.000 1.053 360 V CA 2.280 64.762 62.300 0.303 0.000 1.027 360 V CB -0.556 31.450 31.823 0.305 0.000 0.646 360 V HN 0.315 nan 8.190 nan 0.000 0.447 361 E N 0.583 120.867 120.200 0.140 0.000 2.051 361 E HA -0.189 4.152 4.350 -0.015 0.000 0.192 361 E C 2.136 178.769 176.600 0.053 0.000 0.991 361 E CA 1.672 58.128 56.400 0.095 0.000 0.799 361 E CB -0.535 29.197 29.700 0.052 0.000 0.748 361 E HN 0.516 nan 8.360 nan 0.000 0.449 362 A N 0.168 123.000 122.820 0.019 0.000 1.940 362 A HA -0.084 4.227 4.320 -0.015 0.000 0.219 362 A C 2.459 180.024 177.584 -0.032 0.000 1.176 362 A CA 1.852 53.884 52.037 -0.008 0.000 0.631 362 A CB -1.368 17.617 19.000 -0.024 0.000 0.814 362 A HN 0.427 nan 8.150 nan 0.000 0.446 363 G N -0.300 108.440 108.800 -0.099 0.000 2.418 363 G HA2 -0.237 3.714 3.960 -0.015 0.000 0.217 363 G HA3 -0.237 3.714 3.960 -0.015 0.000 0.217 363 G C 1.683 176.480 174.900 -0.171 0.000 1.158 363 G CA 1.123 46.031 45.100 -0.319 0.000 0.771 363 G HN 0.587 nan 8.290 nan 0.000 0.545 364 K N 0.123 120.537 120.400 0.023 0.000 2.026 364 K HA -0.034 4.277 4.320 -0.015 0.000 0.208 364 K C 2.644 179.285 176.600 0.069 0.000 1.048 364 K CA 0.977 57.349 56.287 0.142 0.000 0.929 364 K CB -0.190 32.421 32.500 0.184 0.000 0.713 364 K HN 0.138 nan 8.250 nan 0.000 0.439 365 R N 1.190 121.715 120.500 0.042 0.000 2.241 365 R HA -0.138 4.193 4.340 -0.015 0.000 0.224 365 R C 1.519 177.830 176.300 0.018 0.000 1.101 365 R CA 1.366 57.483 56.100 0.028 0.000 0.995 365 R CB -0.100 30.211 30.300 0.018 0.000 0.870 365 R HN 0.502 nan 8.270 nan 0.000 0.463 366 E N -0.853 119.350 120.200 0.006 0.000 2.465 366 E HA 0.159 4.500 4.350 -0.015 0.000 0.195 366 E C 0.728 177.336 176.600 0.013 0.000 1.028 366 E CA 0.355 56.758 56.400 0.005 0.000 0.899 366 E CB 0.794 30.490 29.700 -0.006 0.000 1.032 366 E HN 0.220 nan 8.360 nan 0.000 0.468 367 G N 0.824 109.641 108.800 0.028 0.000 2.194 367 G HA2 -0.319 3.632 3.960 -0.015 0.000 0.236 367 G HA3 -0.319 3.632 3.960 -0.015 0.000 0.236 367 G C 0.508 175.448 174.900 0.067 0.000 0.987 367 G CA -0.189 44.938 45.100 0.045 0.000 0.635 367 G HN 0.679 nan 8.290 nan 0.000 0.520 368 A N 0.138 122.985 122.820 0.045 0.000 2.498 368 A HA 0.590 4.901 4.320 -0.015 0.000 0.239 368 A C 0.733 178.497 177.584 0.301 0.000 1.068 368 A CA 0.922 53.016 52.037 0.095 0.000 0.766 368 A CB 0.155 19.039 19.000 -0.194 0.000 1.003 368 A HN 0.819 nan 8.150 nan 0.000 0.497 369 R N 2.401 123.101 120.500 0.333 0.000 2.205 369 R HA 0.364 4.695 4.340 -0.015 0.000 0.342 369 R C -0.748 175.709 176.300 0.262 0.000 1.058 369 R CA -0.600 55.661 56.100 0.269 0.000 0.904 369 R CB 0.196 30.595 30.300 0.165 0.000 1.089 369 R HN 0.646 nan 8.270 nan 0.000 0.471 370 L N 6.272 127.555 121.223 0.100 0.000 2.433 370 L HA 0.124 4.455 4.340 -0.015 0.000 0.275 370 L C 0.066 176.810 176.870 -0.210 0.000 1.128 370 L CA 0.560 55.161 54.840 -0.398 0.000 0.875 370 L CB 0.697 42.495 42.059 -0.434 0.000 1.171 370 L HN 0.841 nan 8.230 nan 0.000 0.463 371 L N 5.085 126.181 121.223 -0.212 0.000 2.357 371 L HA 0.311 4.642 4.340 -0.015 0.000 0.211 371 L C 0.281 177.076 176.870 -0.125 0.000 1.075 371 L CA 0.166 54.940 54.840 -0.110 0.000 0.830 371 L CB 0.178 42.203 42.059 -0.058 0.000 0.996 371 L HN 0.517 nan 8.230 nan 0.000 0.467 372 V N -1.104 118.706 119.914 -0.175 0.000 3.167 372 V HA 0.640 4.751 4.120 -0.015 0.000 0.293 372 V C 0.093 176.088 176.094 -0.165 0.000 1.379 372 V CA 0.018 62.232 62.300 -0.143 0.000 1.019 372 V CB 1.411 33.166 31.823 -0.112 0.000 1.115 372 V HN 0.423 nan 8.190 nan 0.000 0.442 373 G N 3.547 112.270 108.800 -0.129 0.000 2.527 373 G HA2 0.280 4.230 3.960 -0.015 0.000 0.268 373 G HA3 0.280 4.230 3.960 -0.015 0.000 0.268 373 G C 1.528 176.365 174.900 -0.105 0.000 1.175 373 G CA 1.091 46.127 45.100 -0.107 0.000 0.962 373 G HN 2.773 nan 8.290 nan 0.000 0.560 374 G N -0.585 108.171 108.800 -0.073 0.000 2.162 374 G HA2 0.192 4.142 3.960 -0.015 0.000 0.260 374 G HA3 0.192 4.142 3.960 -0.015 0.000 0.260 374 G C 0.205 175.116 174.900 0.019 0.000 0.976 374 G CA 2.022 47.103 45.100 -0.031 0.000 0.655 374 G HN 2.252 nan 8.290 nan 0.000 0.533 375 E N -1.457 118.748 120.200 0.009 0.000 2.445 375 E HA 0.662 5.003 4.350 -0.015 0.000 0.279 375 E C -0.184 176.429 176.600 0.021 0.000 1.018 375 E CA -1.447 54.965 56.400 0.019 0.000 0.816 375 E CB 0.925 30.628 29.700 0.006 0.000 1.356 375 E HN 0.202 nan 8.360 nan 0.000 0.462 376 R N 0.193 120.709 120.500 0.027 0.000 2.698 376 R HA 0.334 4.665 4.340 -0.015 0.000 0.266 376 R C -0.223 176.094 176.300 0.029 0.000 1.026 376 R CA 0.391 56.514 56.100 0.039 0.000 1.102 376 R CB 0.429 30.751 30.300 0.037 0.000 0.978 376 R HN 0.566 nan 8.270 nan 0.000 0.436 377 A N 2.526 125.376 122.820 0.050 0.000 2.320 377 A HA 0.165 4.476 4.320 -0.015 0.000 0.287 377 A C 0.405 177.974 177.584 -0.024 0.000 1.181 377 A CA -0.419 51.624 52.037 0.009 0.000 0.831 377 A CB 0.596 19.608 19.000 0.020 0.000 1.102 377 A HN 0.819 nan 8.150 nan 0.000 0.513 378 K N 0.842 121.215 120.400 -0.045 0.000 2.244 378 K HA 0.099 4.410 4.320 -0.015 0.000 0.200 378 K C -0.039 176.505 176.600 -0.092 0.000 1.052 378 K CA 0.998 57.252 56.287 -0.055 0.000 0.980 378 K CB 0.323 32.800 32.500 -0.039 0.000 0.838 378 K HN 0.669 nan 8.250 nan 0.000 0.481 379 T N 0.640 115.135 114.554 -0.099 0.000 2.907 379 T HA 0.235 4.576 4.350 -0.015 0.000 0.292 379 T C -0.283 174.335 174.700 -0.137 0.000 1.043 379 T CA -0.856 61.173 62.100 -0.118 0.000 1.003 379 T CB 1.979 70.797 68.868 -0.084 0.000 1.084 379 T HN 0.162 nan 8.240 nan 0.000 0.483 380 S N 0.971 116.567 115.700 -0.173 0.000 2.686 380 S HA 0.435 4.895 4.470 -0.015 0.000 0.270 380 S C 0.998 175.543 174.600 -0.092 0.000 1.194 380 S CA -0.803 57.301 58.200 -0.159 0.000 0.990 380 S CB 0.029 63.063 63.200 -0.278 0.000 1.029 380 S HN 0.728 nan 8.310 nan 0.000 0.560 381 F N -1.015 118.889 119.950 -0.077 0.000 2.802 381 F HA 0.424 4.942 4.527 -0.015 0.000 0.300 381 F C 1.529 177.301 175.800 -0.047 0.000 1.168 381 F CA -0.348 57.618 58.000 -0.058 0.000 1.433 381 F CB -0.340 38.632 39.000 -0.047 0.000 1.115 381 F HN 0.346 nan 8.300 nan 0.000 0.582 382 R N 0.252 120.411 120.500 -0.569 0.000 2.565 382 R HA 0.316 4.647 4.340 -0.015 0.000 0.347 382 R C 1.402 177.553 176.300 -0.249 0.000 1.010 382 R CA 0.286 56.120 56.100 -0.444 0.000 1.126 382 R CB 0.748 30.679 30.300 -0.616 0.000 1.331 382 R HN 0.475 nan 8.270 nan 0.000 0.552 383 G N 1.526 110.212 108.800 -0.191 0.000 2.234 383 G HA2 -0.367 3.584 3.960 -0.015 0.000 0.260 383 G HA3 -0.367 3.584 3.960 -0.015 0.000 0.260 383 G C 0.109 174.928 174.900 -0.135 0.000 0.987 383 G CA 0.386 45.407 45.100 -0.132 0.000 0.625 383 G HN 0.455 nan 8.290 nan 0.000 0.532 384 E N 1.165 121.261 120.200 -0.173 0.000 2.442 384 E HA 0.287 4.628 4.350 -0.015 0.000 0.262 384 E C -0.018 176.497 176.600 -0.141 0.000 1.004 384 E CA 0.070 56.381 56.400 -0.148 0.000 0.928 384 E CB 0.220 29.821 29.700 -0.165 0.000 0.937 384 E HN 0.284 nan 8.360 nan 0.000 0.446 385 D N 3.751 124.088 120.400 -0.104 0.000 2.348 385 D HA 0.050 4.681 4.640 -0.015 0.000 0.253 385 D C 0.096 176.327 176.300 -0.115 0.000 1.161 385 D CA 0.066 54.009 54.000 -0.094 0.000 0.876 385 D CB 0.617 41.382 40.800 -0.058 0.000 1.160 385 D HN 0.415 nan 8.370 nan 0.000 0.459 386 L N 3.072 124.202 121.223 -0.156 0.000 2.910 386 L HA 0.102 4.433 4.340 -0.015 0.000 0.252 386 L C 1.854 178.708 176.870 -0.028 0.000 1.195 386 L CA -0.147 54.566 54.840 -0.212 0.000 1.003 386 L CB -0.012 41.693 42.059 -0.590 0.000 1.328 386 L HN 0.436 nan 8.230 nan 0.000 0.540 387 S N -0.609 115.085 115.700 -0.011 0.000 2.419 387 S HA -0.107 4.354 4.470 -0.015 0.000 0.233 387 S C 1.973 176.600 174.600 0.046 0.000 1.016 387 S CA 0.439 58.652 58.200 0.021 0.000 0.974 387 S CB -0.149 63.051 63.200 0.001 0.000 0.786 387 S HN 0.380 nan 8.310 nan 0.000 0.492 388 R N 1.761 122.292 120.500 0.052 0.000 2.189 388 R HA 0.208 4.539 4.340 -0.015 0.000 0.218 388 R C 1.280 177.622 176.300 0.069 0.000 1.074 388 R CA 0.766 56.895 56.100 0.049 0.000 0.991 388 R CB -0.921 29.406 30.300 0.045 0.000 0.883 388 R HN 0.550 nan 8.270 nan 0.000 0.457 389 G N 0.272 109.175 108.800 0.173 0.000 2.552 389 G HA2 0.146 4.097 3.960 -0.015 0.000 0.318 389 G HA3 0.146 4.097 3.960 -0.015 0.000 0.318 389 G C -0.165 174.768 174.900 0.055 0.000 1.240 389 G CA -0.619 44.561 45.100 0.134 0.000 1.002 389 G HN 0.087 nan 8.290 nan 0.000 0.493 390 N N 0.339 118.928 118.700 -0.185 0.000 3.250 390 N HA 0.129 4.860 4.740 -0.015 0.000 0.307 390 N C -1.102 174.302 175.510 -0.175 0.000 1.355 390 N CA 0.085 53.040 53.050 -0.158 0.000 1.192 390 N CB 0.288 38.649 38.487 -0.209 0.000 1.478 390 N HN 0.332 nan 8.380 nan 0.000 0.543 391 Y N 0.556 120.838 120.300 -0.031 0.000 2.336 391 Y HA 0.313 4.854 4.550 -0.015 0.000 0.335 391 Y C 0.379 176.273 175.900 -0.011 0.000 1.046 391 Y CA -0.763 57.327 58.100 -0.017 0.000 1.198 391 Y CB 0.918 39.369 38.460 -0.016 0.000 1.182 391 Y HN 0.133 nan 8.280 nan 0.000 0.502 392 L N 4.438 125.739 121.223 0.129 0.000 2.346 392 L HA 0.554 4.884 4.340 -0.015 0.000 0.276 392 L C -1.090 175.814 176.870 0.057 0.000 1.006 392 L CA -0.599 54.289 54.840 0.080 0.000 0.817 392 L CB 1.100 43.198 42.059 0.065 0.000 1.272 392 L HN 0.569 nan 8.230 nan 0.000 0.421 393 L N 5.954 127.188 121.223 0.019 0.000 2.426 393 L HA 0.327 4.658 4.340 -0.015 0.000 0.271 393 L C -1.907 174.911 176.870 -0.087 0.000 1.169 393 L CA -1.665 53.151 54.840 -0.041 0.000 0.836 393 L CB 0.379 42.405 42.059 -0.055 0.000 1.112 393 L HN 0.505 nan 8.230 nan 0.000 0.465 394 P HA 0.005 nan 4.420 nan 0.000 0.262 394 P C -0.943 176.241 177.300 -0.192 0.000 1.182 394 P CA 0.342 63.191 63.100 -0.419 0.000 0.761 394 P CB 0.499 31.567 31.700 -1.053 0.000 0.795 395 T N 2.726 117.318 114.554 0.064 0.000 2.829 395 T HA 0.512 4.853 4.350 -0.015 0.000 0.280 395 T C -0.498 174.299 174.700 0.162 0.000 0.999 395 T CA -0.434 61.705 62.100 0.065 0.000 0.983 395 T CB 1.030 69.950 68.868 0.086 0.000 0.968 395 T HN -0.029 nan 8.240 nan 0.000 0.446 396 V N 3.606 123.524 119.914 0.007 0.000 2.525 396 V HA 0.554 4.665 4.120 -0.015 0.000 0.299 396 V C -1.123 174.939 176.094 -0.054 0.000 1.034 396 V CA -0.871 61.462 62.300 0.055 0.000 0.863 396 V CB 1.247 33.103 31.823 0.054 0.000 0.999 396 V HN 0.824 nan 8.190 nan 0.000 0.423 397 F N 2.713 122.708 119.950 0.075 0.000 2.538 397 F HA 0.722 5.240 4.527 -0.015 0.000 0.325 397 F C 0.051 175.909 175.800 0.097 0.000 1.066 397 F CA -0.891 57.157 58.000 0.079 0.000 0.946 397 F CB 2.290 41.339 39.000 0.080 0.000 1.199 397 F HN 0.182 nan 8.300 nan 0.000 0.473 398 V N 1.890 122.017 119.914 0.355 0.000 2.459 398 V HA 0.877 4.988 4.120 -0.015 0.000 0.295 398 V C 0.083 176.328 176.094 0.251 0.000 1.029 398 V CA -0.146 62.338 62.300 0.307 0.000 0.874 398 V CB 1.060 33.062 31.823 0.298 0.000 0.985 398 V HN 0.934 nan 8.190 nan 0.000 0.438 399 G N 4.010 112.927 108.800 0.195 0.000 2.650 399 G HA2 0.602 4.553 3.960 -0.015 0.000 0.310 399 G HA3 0.602 4.553 3.960 -0.015 0.000 0.310 399 G C -1.509 173.434 174.900 0.071 0.000 1.270 399 G CA -0.553 44.613 45.100 0.110 0.000 0.810 399 G HN 0.527 nan 8.290 nan 0.000 0.493 400 E N -0.355 119.870 120.200 0.043 0.000 2.207 400 E HA 0.275 4.616 4.350 -0.015 0.000 0.270 400 E C 0.431 177.045 176.600 0.024 0.000 0.927 400 E CA -0.746 55.666 56.400 0.019 0.000 0.799 400 E CB 2.363 32.071 29.700 0.014 0.000 1.172 400 E HN 0.445 nan 8.360 nan 0.000 0.404 401 N N 0.923 119.613 118.700 -0.017 0.000 2.205 401 N HA -0.179 4.552 4.740 -0.015 0.000 0.186 401 N C 0.993 176.542 175.510 0.065 0.000 1.015 401 N CA 1.481 54.528 53.050 -0.006 0.000 0.862 401 N CB 0.026 38.470 38.487 -0.072 0.000 0.986 401 N HN 0.496 nan 8.380 nan 0.000 0.429 402 H N -1.417 117.673 119.070 0.033 0.000 2.556 402 H HA 0.140 4.686 4.556 -0.016 0.000 0.268 402 H C 0.225 175.568 175.328 0.025 0.000 0.996 402 H CA -0.474 55.590 56.048 0.027 0.000 1.157 402 H CB 0.180 29.955 29.762 0.020 0.000 1.355 402 H HN 0.236 nan 8.280 nan 0.000 0.597 403 M N 0.730 120.409 119.600 0.133 0.000 2.245 403 M HA -0.042 4.429 4.480 -0.015 0.000 0.330 403 M C 1.812 178.155 176.300 0.073 0.000 1.098 403 M CA 0.401 55.745 55.300 0.074 0.000 1.172 403 M CB 0.988 33.605 32.600 0.028 0.000 1.467 403 M HN 0.119 nan 8.290 nan 0.000 0.454 404 K N 2.079 122.517 120.400 0.064 0.000 2.032 404 K HA -0.183 4.128 4.320 -0.015 0.000 0.209 404 K C 1.499 178.167 176.600 0.114 0.000 1.048 404 K CA 1.867 58.215 56.287 0.101 0.000 0.927 404 K CB -0.348 32.216 32.500 0.106 0.000 0.712 404 K HN 0.796 nan 8.250 nan 0.000 0.441 405 I N -2.486 118.119 120.570 0.059 0.000 2.916 405 I HA -0.036 4.125 4.170 -0.015 0.000 0.267 405 I C 1.777 177.889 176.117 -0.008 0.000 1.263 405 I CA 1.176 62.481 61.300 0.007 0.000 1.471 405 I CB -0.107 37.824 38.000 -0.114 0.000 1.089 405 I HN 0.012 nan 8.210 nan 0.000 0.468 406 A N 0.180 123.019 122.820 0.031 0.000 2.140 406 A HA 0.150 4.461 4.320 -0.015 0.000 0.209 406 A C 2.194 179.831 177.584 0.088 0.000 1.181 406 A CA 0.090 52.158 52.037 0.053 0.000 0.824 406 A CB -0.015 19.023 19.000 0.063 0.000 0.879 406 A HN 0.399 nan 8.150 nan 0.000 0.480 407 Q N 0.359 120.223 119.800 0.106 0.000 2.376 407 Q HA 0.132 4.463 4.340 -0.015 0.000 0.206 407 Q C -0.260 175.861 176.000 0.203 0.000 0.921 407 Q CA 0.615 56.504 55.803 0.143 0.000 0.911 407 Q CB 0.446 29.253 28.738 0.116 0.000 1.032 407 Q HN 0.729 nan 8.270 nan 0.000 0.510 408 E N 0.965 121.258 120.200 0.156 0.000 2.207 408 E HA 0.250 4.591 4.350 -0.015 0.000 0.270 408 E C -0.878 175.712 176.600 -0.018 0.000 0.927 408 E CA -0.420 56.088 56.400 0.180 0.000 0.799 408 E CB 1.783 31.612 29.700 0.215 0.000 1.172 408 E HN 0.018 nan 8.360 nan 0.000 0.404 409 E N 2.565 122.770 120.200 0.008 0.000 2.344 409 E HA 0.025 4.366 4.350 -0.015 0.000 0.270 409 E C 0.198 176.662 176.600 -0.228 0.000 1.021 409 E CA 0.109 56.415 56.400 -0.156 0.000 0.887 409 E CB 0.557 30.138 29.700 -0.199 0.000 0.997 409 E HN 0.525 nan 8.360 nan 0.000 0.429 410 I N 3.968 124.405 120.570 -0.222 0.000 2.927 410 I HA 0.007 4.168 4.170 -0.015 0.000 0.268 410 I C 0.336 176.581 176.117 0.213 0.000 1.153 410 I CA -0.085 61.067 61.300 -0.246 0.000 1.459 410 I CB 0.239 38.099 38.000 -0.235 0.000 1.149 410 I HN 0.680 nan 8.210 nan 0.000 0.443 411 F N 2.017 121.986 119.950 0.032 0.000 3.040 411 F HA -0.159 4.358 4.527 -0.016 0.000 0.298 411 F C 0.263 176.252 175.800 0.315 0.000 0.948 411 F CA 0.547 58.654 58.000 0.178 0.000 1.022 411 F CB -1.194 37.990 39.000 0.306 0.000 1.023 411 F HN 0.142 nan 8.300 nan 0.000 0.742 412 G N 0.081 108.984 108.800 0.172 0.000 2.708 412 G HA2 0.644 4.595 3.960 -0.015 0.000 0.289 412 G HA3 0.644 4.595 3.960 -0.015 0.000 0.289 412 G C -3.035 171.927 174.900 0.105 0.000 1.416 412 G CA -0.822 44.375 45.100 0.162 0.000 0.829 412 G HN -0.108 nan 8.290 nan 0.000 0.480 413 P HA 0.249 nan 4.420 nan 0.000 0.226 413 P C -0.565 176.940 177.300 0.341 0.000 1.783 413 P CA -0.042 63.227 63.100 0.281 0.000 0.980 413 P CB 0.185 32.066 31.700 0.301 0.000 1.967 414 V N 3.061 123.093 119.914 0.196 0.000 2.444 414 V HA 0.342 4.453 4.120 -0.015 0.000 0.294 414 V C 0.007 176.169 176.094 0.113 0.000 1.022 414 V CA -0.895 61.530 62.300 0.208 0.000 0.850 414 V CB 2.093 34.036 31.823 0.201 0.000 0.992 414 V HN 0.141 nan 8.190 nan 0.000 0.426 415 L N 6.091 127.395 121.223 0.135 0.000 2.334 415 L HA 0.802 5.133 4.340 -0.015 0.000 0.276 415 L C -0.599 176.363 176.870 0.153 0.000 1.014 415 L CA -0.155 54.711 54.840 0.043 0.000 0.815 415 L CB 2.080 44.090 42.059 -0.082 0.000 1.268 415 L HN 0.437 nan 8.230 nan 0.000 0.428 416 V N 4.766 124.750 119.914 0.117 0.000 2.378 416 V HA 0.738 4.849 4.120 -0.015 0.000 0.288 416 V C 0.114 176.294 176.094 0.143 0.000 1.016 416 V CA -0.551 61.848 62.300 0.164 0.000 0.840 416 V CB 1.222 33.112 31.823 0.112 0.000 0.994 416 V HN 0.959 nan 8.190 nan 0.000 0.431 417 A N 7.003 129.931 122.820 0.179 0.000 2.289 417 A HA 0.858 5.169 4.320 -0.015 0.000 0.298 417 A C -0.518 177.273 177.584 0.345 0.000 1.208 417 A CA -0.259 51.894 52.037 0.195 0.000 0.845 417 A CB 0.190 19.235 19.000 0.076 0.000 1.125 417 A HN 0.783 nan 8.150 nan 0.000 0.517 418 I N 4.488 125.269 120.570 0.351 0.000 2.545 418 I HA 0.418 4.579 4.170 -0.015 0.000 0.292 418 I C -2.360 173.978 176.117 0.367 0.000 1.040 418 I CA -2.254 59.224 61.300 0.297 0.000 1.068 418 I CB 2.991 41.092 38.000 0.168 0.000 1.251 418 I HN 0.484 nan 8.210 nan 0.000 0.424 419 P HA 0.416 nan 4.420 nan 0.000 0.287 419 P C -1.414 175.905 177.300 0.032 0.000 1.270 419 P CA -0.352 62.709 63.100 -0.066 0.000 0.844 419 P CB 1.331 32.666 31.700 -0.609 0.000 1.068 420 F N -0.199 119.729 119.950 -0.037 0.000 2.591 420 F HA 0.539 5.057 4.527 -0.014 0.000 0.309 420 F C 1.082 176.854 175.800 -0.047 0.000 1.098 420 F CA -1.182 56.787 58.000 -0.052 0.000 0.937 420 F CB 1.340 40.303 39.000 -0.062 0.000 1.250 420 F HN 0.273 nan 8.300 nan 0.000 0.447 421 K N 0.242 120.755 120.400 0.189 0.000 2.186 421 K HA 0.187 4.498 4.320 -0.015 0.000 0.202 421 K C -0.822 175.918 176.600 0.233 0.000 1.052 421 K CA 1.090 57.444 56.287 0.111 0.000 0.965 421 K CB -0.248 32.292 32.500 0.067 0.000 0.746 421 K HN 0.802 nan 8.250 nan 0.000 0.457 422 D N -1.046 119.587 120.400 0.390 0.000 2.692 422 D HA -0.032 4.598 4.640 -0.015 0.000 0.303 422 D C 0.278 176.756 176.300 0.297 0.000 1.278 422 D CA -0.805 53.411 54.000 0.361 0.000 0.852 422 D CB 0.871 41.789 40.800 0.197 0.000 1.375 422 D HN 0.032 nan 8.370 nan 0.000 0.453 423 E N -0.294 120.080 120.200 0.289 0.000 2.070 423 E HA -0.317 4.024 4.350 -0.015 0.000 0.197 423 E C 1.000 177.624 176.600 0.039 0.000 1.004 423 E CA 1.858 58.376 56.400 0.197 0.000 0.805 423 E CB 0.068 29.840 29.700 0.120 0.000 0.744 423 E HN 0.446 nan 8.360 nan 0.000 0.451 424 E N 0.622 120.851 120.200 0.048 0.000 2.085 424 E HA -0.228 4.113 4.350 -0.015 0.000 0.194 424 E C 1.894 178.493 176.600 -0.001 0.000 0.994 424 E CA 1.639 58.050 56.400 0.019 0.000 0.801 424 E CB -0.216 29.502 29.700 0.031 0.000 0.743 424 E HN 0.445 nan 8.360 nan 0.000 0.453 425 E N -0.098 120.113 120.200 0.017 0.000 2.107 425 E HA -0.105 4.236 4.350 -0.015 0.000 0.191 425 E C 1.953 178.512 176.600 -0.068 0.000 0.982 425 E CA 0.844 57.253 56.400 0.014 0.000 0.809 425 E CB -0.092 29.661 29.700 0.088 0.000 0.756 425 E HN 0.239 nan 8.360 nan 0.000 0.459 426 A N 1.102 123.759 122.820 -0.272 0.000 1.908 426 A HA -0.180 4.131 4.320 -0.015 0.000 0.218 426 A C 2.138 179.572 177.584 -0.250 0.000 1.181 426 A CA 1.408 53.086 52.037 -0.598 0.000 0.627 426 A CB -0.686 17.440 19.000 -1.457 0.000 0.818 426 A HN 0.399 nan 8.150 nan 0.000 0.445 427 L N -0.219 120.917 121.223 -0.145 0.000 2.027 427 L HA -0.090 4.241 4.340 -0.015 0.000 0.206 427 L C 2.452 179.298 176.870 -0.040 0.000 1.074 427 L CA 2.422 57.223 54.840 -0.066 0.000 0.745 427 L CB -0.640 41.396 42.059 -0.039 0.000 0.898 427 L HN 0.478 nan 8.230 nan 0.000 0.433 428 R N -0.259 120.222 120.500 -0.032 0.000 2.080 428 R HA -0.209 4.122 4.340 -0.015 0.000 0.236 428 R C 2.326 178.622 176.300 -0.008 0.000 1.137 428 R CA 2.109 58.202 56.100 -0.012 0.000 0.943 428 R CB -0.213 30.084 30.300 -0.005 0.000 0.846 428 R HN 0.354 nan 8.270 nan 0.000 0.431 429 K N -0.209 120.179 120.400 -0.020 0.000 2.097 429 K HA -0.097 4.214 4.320 -0.015 0.000 0.206 429 K C 2.120 178.726 176.600 0.010 0.000 1.049 429 K CA 1.285 57.564 56.287 -0.012 0.000 0.933 429 K CB -0.142 32.355 32.500 -0.005 0.000 0.717 429 K HN 0.273 nan 8.250 nan 0.000 0.442 430 A N 2.004 124.822 122.820 -0.003 0.000 1.902 430 A HA -0.173 4.138 4.320 -0.015 0.000 0.217 430 A C 1.701 179.302 177.584 0.029 0.000 1.181 430 A CA 1.658 53.706 52.037 0.017 0.000 0.623 430 A CB -0.358 18.641 19.000 -0.001 0.000 0.818 430 A HN 0.228 nan 8.150 nan 0.000 0.443 431 N N 0.073 118.783 118.700 0.016 0.000 2.463 431 N HA -0.027 4.704 4.740 -0.015 0.000 0.181 431 N C -0.056 175.475 175.510 0.034 0.000 1.078 431 N CA 0.619 53.681 53.050 0.021 0.000 0.902 431 N CB -0.206 38.285 38.487 0.007 0.000 0.970 431 N HN 0.434 nan 8.380 nan 0.000 0.451 432 D N 0.730 121.157 120.400 0.044 0.000 2.688 432 D HA 0.053 4.684 4.640 -0.015 0.000 0.228 432 D C -0.594 175.757 176.300 0.085 0.000 1.116 432 D CA 0.170 54.211 54.000 0.068 0.000 1.023 432 D CB -0.234 40.619 40.800 0.088 0.000 1.100 432 D HN -0.046 nan 8.370 nan 0.000 0.487 433 T N -0.462 114.132 114.554 0.067 0.000 2.868 433 T HA 0.249 4.590 4.350 -0.015 0.000 0.306 433 T C 0.697 175.400 174.700 0.006 0.000 1.224 433 T CA -0.774 61.373 62.100 0.078 0.000 1.012 433 T CB 1.185 70.142 68.868 0.148 0.000 1.221 433 T HN 0.215 nan 8.240 nan 0.000 0.499 434 K N 1.249 121.590 120.400 -0.099 0.000 2.459 434 K HA 0.134 4.445 4.320 -0.015 0.000 0.193 434 K C -0.175 176.243 176.600 -0.303 0.000 1.030 434 K CA 0.210 56.353 56.287 -0.240 0.000 1.026 434 K CB -0.075 32.203 32.500 -0.369 0.000 0.809 434 K HN 0.539 nan 8.250 nan 0.000 0.504 435 Y N 0.370 120.672 120.300 0.003 0.000 2.496 435 Y HA 0.478 5.019 4.550 -0.016 0.000 0.325 435 Y C 1.043 176.935 175.900 -0.015 0.000 1.271 435 Y CA -0.490 57.606 58.100 -0.006 0.000 1.368 435 Y CB 1.751 40.213 38.460 0.004 0.000 1.415 435 Y HN 0.078 nan 8.280 nan 0.000 0.527 436 G N 0.341 109.245 108.800 0.173 0.000 4.695 436 G HA2 0.183 4.134 3.960 -0.015 0.000 0.229 436 G HA3 0.183 4.134 3.960 -0.015 0.000 0.229 436 G C -0.667 174.234 174.900 0.002 0.000 2.630 436 G CA -0.272 44.862 45.100 0.057 0.000 0.626 436 G HN 0.486 nan 8.290 nan 0.000 0.234 437 L N 0.642 121.865 121.223 0.000 0.000 2.194 437 L HA 0.887 5.218 4.340 -0.015 0.000 0.197 437 L C 1.182 177.998 176.870 -0.089 0.000 1.106 437 L CA 1.844 56.642 54.840 -0.070 0.000 0.785 437 L CB -0.001 42.024 42.059 -0.055 0.000 0.960 437 L HN 0.493 nan 8.230 nan 0.000 0.465 438 A N -1.301 121.495 122.820 -0.040 0.000 2.486 438 A HA 0.916 5.227 4.320 -0.015 0.000 0.289 438 A C -1.361 176.152 177.584 -0.119 0.000 1.176 438 A CA -0.090 51.896 52.037 -0.085 0.000 0.757 438 A CB 1.282 20.281 19.000 -0.001 0.000 1.337 438 A HN 0.552 nan 8.150 nan 0.000 0.423 439 A N -0.534 122.094 122.820 -0.320 0.000 2.589 439 A HA 0.705 5.016 4.320 -0.015 0.000 0.296 439 A C -2.046 175.253 177.584 -0.474 0.000 1.062 439 A CA -0.406 51.501 52.037 -0.215 0.000 0.686 439 A CB 0.817 19.759 19.000 -0.098 0.000 1.282 439 A HN 1.025 nan 8.150 nan 0.000 0.404 440 Y N 0.093 120.461 120.300 0.114 0.000 2.425 440 Y HA 0.613 5.155 4.550 -0.013 0.000 0.344 440 Y C -0.186 175.705 175.900 -0.015 0.000 0.969 440 Y CA -0.981 57.153 58.100 0.057 0.000 1.052 440 Y CB 2.438 41.020 38.460 0.204 0.000 1.215 440 Y HN 0.433 nan 8.280 nan 0.000 0.451 441 V N 4.279 124.108 119.914 -0.140 0.000 2.483 441 V HA 0.422 4.532 4.120 -0.015 0.000 0.297 441 V C -1.188 174.728 176.094 -0.297 0.000 1.027 441 V CA -1.041 61.227 62.300 -0.054 0.000 0.855 441 V CB 1.199 32.999 31.823 -0.038 0.000 0.995 441 V HN 0.516 nan 8.190 nan 0.000 0.424 442 F N 2.888 122.970 119.950 0.220 0.000 2.347 442 F HA 0.743 5.262 4.527 -0.013 0.000 0.366 442 F C 0.358 176.282 175.800 0.207 0.000 1.107 442 F CA -0.322 57.780 58.000 0.169 0.000 1.058 442 F CB 1.970 41.042 39.000 0.119 0.000 1.236 442 F HN 0.480 nan 8.300 nan 0.000 0.456 443 T N 2.069 116.739 114.554 0.193 0.000 2.977 443 T HA 0.311 4.652 4.350 -0.015 0.000 0.345 443 T C 0.392 175.106 174.700 0.025 0.000 1.562 443 T CA -0.622 61.541 62.100 0.104 0.000 1.090 443 T CB 1.311 70.115 68.868 -0.106 0.000 1.383 443 T HN 0.684 nan 8.240 nan 0.000 0.484 444 R N 0.922 121.438 120.500 0.026 0.000 2.280 444 R HA 0.148 4.479 4.340 -0.015 0.000 0.195 444 R C -0.150 176.139 176.300 -0.018 0.000 0.935 444 R CA 0.013 56.121 56.100 0.013 0.000 1.033 444 R CB 0.104 30.424 30.300 0.035 0.000 0.964 444 R HN 0.578 nan 8.270 nan 0.000 0.489 445 D N 1.037 121.407 120.400 -0.051 0.000 2.358 445 D HA -0.037 4.594 4.640 -0.015 0.000 0.258 445 D C 1.142 177.403 176.300 -0.065 0.000 1.223 445 D CA -0.213 53.751 54.000 -0.060 0.000 0.886 445 D CB 0.882 41.626 40.800 -0.093 0.000 1.120 445 D HN -0.136 nan 8.370 nan 0.000 0.482 446 L N 4.387 125.600 121.223 -0.017 0.000 1.971 446 L HA -0.216 4.115 4.340 -0.015 0.000 0.215 446 L C 1.675 178.586 176.870 0.069 0.000 1.072 446 L CA 1.930 56.791 54.840 0.035 0.000 0.758 446 L CB -0.506 41.592 42.059 0.065 0.000 0.889 446 L HN 0.600 nan 8.230 nan 0.000 0.433 447 E N -0.911 119.309 120.200 0.035 0.000 2.110 447 E HA -0.262 4.079 4.350 -0.015 0.000 0.193 447 E C 2.303 178.890 176.600 -0.022 0.000 0.988 447 E CA 1.159 57.577 56.400 0.029 0.000 0.804 447 E CB -0.287 29.414 29.700 0.002 0.000 0.745 447 E HN 0.473 nan 8.360 nan 0.000 0.458 448 R N 1.027 121.473 120.500 -0.091 0.000 2.081 448 R HA -0.133 4.198 4.340 -0.015 0.000 0.235 448 R C 2.295 178.478 176.300 -0.196 0.000 1.131 448 R CA 1.296 57.291 56.100 -0.174 0.000 0.960 448 R CB -0.224 29.898 30.300 -0.297 0.000 0.856 448 R HN 0.149 nan 8.270 nan 0.000 0.436 449 A N 1.077 123.772 122.820 -0.207 0.000 1.851 449 A HA -0.216 4.095 4.320 -0.015 0.000 0.216 449 A C 2.010 179.437 177.584 -0.261 0.000 1.195 449 A CA 1.684 53.564 52.037 -0.262 0.000 0.622 449 A CB -1.044 17.763 19.000 -0.321 0.000 0.831 449 A HN 0.496 nan 8.150 nan 0.000 0.444 450 H N -1.104 117.913 119.070 -0.088 0.000 2.423 450 H HA -0.080 4.467 4.556 -0.016 0.000 0.297 450 H C 2.287 177.572 175.328 -0.072 0.000 1.075 450 H CA 1.677 57.680 56.048 -0.074 0.000 1.342 450 H CB -0.170 29.557 29.762 -0.059 0.000 1.395 450 H HN 0.556 nan 8.280 nan 0.000 0.530 451 R N 0.762 121.279 120.500 0.027 0.000 2.070 451 R HA -0.088 4.243 4.340 -0.015 0.000 0.233 451 R C 2.470 178.748 176.300 -0.037 0.000 1.137 451 R CA 0.967 57.061 56.100 -0.010 0.000 0.945 451 R CB -0.217 30.064 30.300 -0.031 0.000 0.845 451 R HN 0.187 nan 8.270 nan 0.000 0.430 452 L N 0.164 121.344 121.223 -0.071 0.000 2.046 452 L HA -0.123 4.208 4.340 -0.015 0.000 0.208 452 L C 2.704 179.535 176.870 -0.066 0.000 1.077 452 L CA 1.234 56.033 54.840 -0.068 0.000 0.747 452 L CB -0.579 41.431 42.059 -0.081 0.000 0.896 452 L HN 0.363 nan 8.230 nan 0.000 0.432 453 A N -0.047 122.722 122.820 -0.084 0.000 1.908 453 A HA -0.255 4.056 4.320 -0.015 0.000 0.218 453 A C 2.199 179.747 177.584 -0.060 0.000 1.181 453 A CA 1.882 53.865 52.037 -0.090 0.000 0.627 453 A CB -0.681 18.256 19.000 -0.105 0.000 0.818 453 A HN 0.338 nan 8.150 nan 0.000 0.445 454 L N -0.514 120.690 121.223 -0.033 0.000 2.093 454 L HA -0.057 4.274 4.340 -0.015 0.000 0.208 454 L C 1.920 178.771 176.870 -0.032 0.000 1.085 454 L CA 2.073 56.898 54.840 -0.026 0.000 0.755 454 L CB -0.482 41.571 42.059 -0.010 0.000 0.904 454 L HN 0.338 nan 8.230 nan 0.000 0.435 455 E N -0.327 119.854 120.200 -0.032 0.000 2.385 455 E HA 0.083 4.424 4.350 -0.015 0.000 0.194 455 E C 0.693 177.273 176.600 -0.032 0.000 1.013 455 E CA 0.041 56.424 56.400 -0.029 0.000 0.866 455 E CB -0.076 29.609 29.700 -0.025 0.000 0.832 455 E HN 0.395 nan 8.360 nan 0.000 0.500 456 L N 2.587 123.785 121.223 -0.041 0.000 2.418 456 L HA 0.031 4.362 4.340 -0.015 0.000 0.274 456 L C 0.387 177.230 176.870 -0.045 0.000 1.135 456 L CA 0.181 54.996 54.840 -0.041 0.000 0.870 456 L CB 0.243 42.270 42.059 -0.054 0.000 1.154 456 L HN -0.173 nan 8.230 nan 0.000 0.462 457 E N 4.248 124.429 120.200 -0.031 0.000 1.865 457 E HA 0.455 4.795 4.350 -0.015 0.000 0.269 457 E C -0.311 176.267 176.600 -0.037 0.000 1.177 457 E CA -0.269 56.112 56.400 -0.032 0.000 0.932 457 E CB 0.560 30.249 29.700 -0.018 0.000 1.066 457 E HN 0.626 nan 8.360 nan 0.000 0.405 458 A N 1.177 123.959 122.820 -0.062 0.000 2.612 458 A HA 0.591 4.902 4.320 -0.015 0.000 0.293 458 A C 0.802 178.317 177.584 -0.115 0.000 1.075 458 A CA -0.420 51.568 52.037 -0.081 0.000 0.680 458 A CB 1.206 20.150 19.000 -0.093 0.000 1.279 458 A HN 0.485 nan 8.150 nan 0.000 0.411 459 G N -0.410 108.305 108.800 -0.142 0.000 2.464 459 G HA2 0.358 4.308 3.960 -0.015 0.000 0.217 459 G HA3 0.358 4.308 3.960 -0.015 0.000 0.217 459 G C 0.231 175.012 174.900 -0.199 0.000 1.138 459 G CA 1.038 46.034 45.100 -0.173 0.000 0.793 459 G HN 0.478 nan 8.290 nan 0.000 0.539 460 M N 0.055 119.525 119.600 -0.216 0.000 2.327 460 M HA 0.521 4.992 4.480 -0.015 0.000 0.298 460 M C -1.258 174.806 176.300 -0.393 0.000 1.065 460 M CA -0.422 54.696 55.300 -0.304 0.000 0.916 460 M CB 3.167 35.634 32.600 -0.222 0.000 1.630 460 M HN -0.222 nan 8.290 nan 0.000 0.442 461 V N 3.321 122.930 119.914 -0.509 0.000 2.531 461 V HA 0.534 4.645 4.120 -0.015 0.000 0.301 461 V C -1.521 174.203 176.094 -0.616 0.000 1.034 461 V CA -0.775 61.254 62.300 -0.451 0.000 0.865 461 V CB 1.690 33.349 31.823 -0.274 0.000 0.995 461 V HN 0.690 nan 8.190 nan 0.000 0.424 462 Y N 4.631 124.744 120.300 -0.313 0.000 2.328 462 Y HA 0.615 5.158 4.550 -0.013 0.000 0.337 462 Y C 0.010 175.769 175.900 -0.236 0.000 0.966 462 Y CA -0.674 57.300 58.100 -0.209 0.000 1.136 462 Y CB 1.574 39.968 38.460 -0.109 0.000 1.170 462 Y HN 0.421 nan 8.280 nan 0.000 0.470 463 L N 4.343 125.499 121.223 -0.112 0.000 2.264 463 L HA 0.330 4.660 4.340 -0.015 0.000 0.289 463 L C 0.007 176.760 176.870 -0.196 0.000 1.044 463 L CA -0.687 54.030 54.840 -0.206 0.000 0.807 463 L CB 0.687 42.623 42.059 -0.205 0.000 1.192 463 L HN 0.775 nan 8.230 nan 0.000 0.425 464 N N 1.492 119.959 118.700 -0.388 0.000 2.735 464 N HA -0.195 4.536 4.740 -0.015 0.000 0.248 464 N C -0.333 175.214 175.510 0.061 0.000 1.083 464 N CA 1.233 54.175 53.050 -0.179 0.000 0.703 464 N CB -0.821 37.674 38.487 0.014 0.000 1.005 464 N HN 0.890 nan 8.380 nan 0.000 0.550 465 S N -2.297 113.424 115.700 0.035 0.000 2.636 465 S HA 0.463 4.924 4.470 -0.015 0.000 0.266 465 S C -0.274 174.554 174.600 0.379 0.000 1.147 465 S CA -0.989 57.391 58.200 0.300 0.000 0.815 465 S CB 2.054 65.334 63.200 0.134 0.000 1.119 465 S HN 0.293 nan 8.310 nan 0.000 0.470 466 H N 0.945 120.141 119.070 0.209 0.000 2.417 466 H HA 0.484 5.032 4.556 -0.014 0.000 0.325 466 H C 0.017 175.325 175.328 -0.034 0.000 1.549 466 H CA -0.548 55.573 56.048 0.122 0.000 1.476 466 H CB -0.276 29.558 29.762 0.119 0.000 1.732 466 H HN 0.685 nan 8.280 nan 0.000 0.695 467 N N 0.578 119.182 118.700 -0.161 0.000 2.400 467 N HA 0.060 4.791 4.740 -0.015 0.000 0.267 467 N C -1.334 173.932 175.510 -0.406 0.000 1.208 467 N CA 0.008 52.679 53.050 -0.632 0.000 0.951 467 N CB -0.327 38.025 38.487 -0.224 0.000 1.227 467 N HN 0.325 nan 8.380 nan 0.000 0.488 468 V N 5.218 124.884 119.914 -0.413 0.000 2.378 468 V HA 0.396 4.507 4.120 -0.015 0.000 0.288 468 V C 0.535 176.670 176.094 0.068 0.000 1.016 468 V CA -0.776 61.432 62.300 -0.154 0.000 0.840 468 V CB 1.178 32.883 31.823 -0.198 0.000 0.994 468 V HN 0.491 nan 8.190 nan 0.000 0.431 469 R N 1.913 122.434 120.500 0.036 0.000 2.486 469 R HA 0.555 4.885 4.340 -0.015 0.000 0.286 469 R C -0.904 175.442 176.300 0.077 0.000 0.999 469 R CA -0.844 55.292 56.100 0.060 0.000 0.993 469 R CB 1.290 31.535 30.300 -0.091 0.000 1.084 469 R HN 0.742 nan 8.270 nan 0.000 0.487 470 H N 2.780 121.835 119.070 -0.024 0.000 2.860 470 H HA 0.188 4.734 4.556 -0.017 0.000 0.312 470 H C 0.819 176.115 175.328 -0.053 0.000 0.995 470 H CA -0.418 55.611 56.048 -0.031 0.000 1.311 470 H CB 0.512 30.290 29.762 0.026 0.000 1.478 470 H HN 0.573 nan 8.280 nan 0.000 0.508 471 L N 4.689 125.697 121.223 -0.359 0.000 2.103 471 L HA -0.159 4.172 4.340 -0.015 0.000 0.215 471 L C -0.706 176.027 176.870 -0.228 0.000 1.080 471 L CA 1.352 55.882 54.840 -0.517 0.000 0.764 471 L CB -1.351 39.876 42.059 -1.387 0.000 0.890 471 L HN 0.508 nan 8.230 nan 0.000 0.435 472 P HA -0.068 nan 4.420 nan 0.000 0.226 472 P C 0.664 178.129 177.300 0.275 0.000 1.153 472 P CA 0.857 64.077 63.100 0.200 0.000 0.777 472 P CB -0.188 31.576 31.700 0.107 0.000 0.794 473 T N -2.165 112.477 114.554 0.145 0.000 2.899 473 T HA 0.260 4.601 4.350 -0.015 0.000 0.295 473 T C -2.441 172.276 174.700 0.028 0.000 1.033 473 T CA -2.114 60.054 62.100 0.113 0.000 1.084 473 T CB 0.196 69.118 68.868 0.090 0.000 0.979 473 T HN -0.085 nan 8.240 nan 0.000 0.532 474 P HA 0.228 nan 4.420 nan 0.000 0.271 474 P C -1.269 176.025 177.300 -0.010 0.000 1.226 474 P CA -0.340 62.515 63.100 -0.408 0.000 0.765 474 P CB 0.081 31.196 31.700 -0.976 0.000 0.835 475 F N 3.862 123.832 119.950 0.033 0.000 2.467 475 F HA 0.698 5.214 4.527 -0.019 0.000 0.336 475 F C 0.124 175.977 175.800 0.088 0.000 1.123 475 F CA 0.367 58.419 58.000 0.087 0.000 0.964 475 F CB 1.736 40.865 39.000 0.214 0.000 1.136 475 F HN 0.634 nan 8.300 nan 0.000 0.447 476 G N 2.604 111.005 108.800 -0.665 0.000 2.315 476 G HA2 0.463 4.413 3.960 -0.015 0.000 0.294 476 G HA3 0.463 4.413 3.960 -0.015 0.000 0.294 476 G C -1.538 173.127 174.900 -0.393 0.000 1.300 476 G CA -0.225 44.593 45.100 -0.470 0.000 0.843 476 G HN 1.032 nan 8.290 nan 0.000 0.527 477 G N -1.744 106.913 108.800 -0.239 0.000 2.788 477 G HA2 0.959 4.910 3.960 -0.015 0.000 0.293 477 G HA3 0.959 4.910 3.960 -0.015 0.000 0.293 477 G C -0.218 174.624 174.900 -0.096 0.000 1.305 477 G CA 0.179 45.182 45.100 -0.160 0.000 1.005 477 G HN 1.856 nan 8.290 nan 0.000 0.496 478 V N -3.070 116.805 119.914 -0.065 0.000 3.181 478 V HA 0.810 4.921 4.120 -0.015 0.000 0.314 478 V C 0.701 176.780 176.094 -0.025 0.000 1.173 478 V CA -0.609 61.663 62.300 -0.045 0.000 1.052 478 V CB 1.032 32.828 31.823 -0.045 0.000 1.123 478 V HN 1.089 nan 8.190 nan 0.000 0.454 479 K N 0.138 120.521 120.400 -0.028 0.000 1.939 479 K HA -0.248 4.063 4.320 -0.015 0.000 0.165 479 K C 1.162 177.740 176.600 -0.037 0.000 1.508 479 K CA 1.552 57.818 56.287 -0.034 0.000 0.525 479 K CB -1.775 30.706 32.500 -0.031 0.000 0.615 479 K HN 1.352 nan 8.250 nan 0.000 0.888 480 G N 0.160 108.923 108.800 -0.062 0.000 2.776 480 G HA2 -0.023 3.928 3.960 -0.015 0.000 0.209 480 G HA3 -0.023 3.928 3.960 -0.015 0.000 0.209 480 G C 0.808 175.740 174.900 0.053 0.000 1.145 480 G CA 0.873 45.929 45.100 -0.073 0.000 0.791 480 G HN 0.307 nan 8.290 nan 0.000 0.530 481 S N -0.074 115.676 115.700 0.084 0.000 2.605 481 S HA 0.479 4.940 4.470 -0.015 0.000 0.217 481 S C 1.149 175.754 174.600 0.008 0.000 0.958 481 S CA 0.395 58.652 58.200 0.095 0.000 0.919 481 S CB 0.203 63.446 63.200 0.071 0.000 0.780 481 S HN 1.074 nan 8.310 nan 0.000 0.507 482 G N 0.992 109.786 108.800 -0.009 0.000 2.352 482 G HA2 0.140 4.091 3.960 -0.015 0.000 0.324 482 G HA3 0.140 4.091 3.960 -0.015 0.000 0.324 482 G C -1.722 173.150 174.900 -0.046 0.000 1.249 482 G CA -0.395 44.685 45.100 -0.034 0.000 1.053 482 G HN 0.313 nan 8.290 nan 0.000 0.492 483 D N -0.663 119.703 120.400 -0.057 0.000 2.622 483 D HA 0.666 5.297 4.640 -0.015 0.000 0.255 483 D C 0.195 176.456 176.300 -0.066 0.000 1.246 483 D CA 0.035 54.005 54.000 -0.051 0.000 0.795 483 D CB 1.195 41.975 40.800 -0.033 0.000 1.369 483 D HN 1.021 nan 8.370 nan 0.000 0.425 484 R N 0.001 120.476 120.500 -0.041 0.000 4.032 484 R HA -0.058 4.272 4.340 -0.015 0.000 0.424 484 R C -1.059 175.227 176.300 -0.025 0.000 0.241 484 R CA -0.027 56.054 56.100 -0.032 0.000 1.347 484 R CB -0.698 29.534 30.300 -0.115 0.000 1.148 484 R HN 0.662 nan 8.270 nan 0.000 0.489 485 R N 1.224 121.742 120.500 0.031 0.000 2.725 485 R HA 0.450 4.781 4.340 -0.015 0.000 0.277 485 R C -0.251 176.155 176.300 0.177 0.000 0.987 485 R CA -0.876 55.278 56.100 0.090 0.000 0.901 485 R CB 1.807 32.161 30.300 0.090 0.000 1.207 485 R HN 0.484 nan 8.270 nan 0.000 0.463 486 E N -0.003 120.368 120.200 0.285 0.000 2.264 486 E HA 0.672 5.013 4.350 -0.015 0.000 0.260 486 E C -0.234 176.628 176.600 0.437 0.000 0.961 486 E CA -0.582 55.998 56.400 0.299 0.000 0.834 486 E CB 2.042 31.923 29.700 0.301 0.000 1.230 486 E HN 0.739 nan 8.360 nan 0.000 0.412 487 G N 0.013 109.026 108.800 0.354 0.000 3.367 487 G HA2 0.269 4.220 3.960 -0.015 0.000 0.686 487 G HA3 0.269 4.220 3.960 -0.015 0.000 0.686 487 G C 0.495 175.669 174.900 0.456 0.000 1.146 487 G CA -0.100 45.291 45.100 0.486 0.000 0.913 487 G HN 0.851 nan 8.290 nan 0.000 0.554 488 G N 1.966 110.936 108.800 0.282 0.000 2.661 488 G HA2 -0.075 3.876 3.960 -0.015 0.000 0.327 488 G HA3 -0.075 3.876 3.960 -0.015 0.000 0.327 488 G C 1.923 176.805 174.900 -0.029 0.000 1.320 488 G CA 2.733 47.700 45.100 -0.220 0.000 0.997 488 G HN 2.555 nan 8.290 nan 0.000 0.543 489 T N -2.564 112.017 114.554 0.045 0.000 3.007 489 T HA 0.023 4.364 4.350 -0.015 0.000 0.270 489 T C 1.962 176.608 174.700 -0.089 0.000 1.107 489 T CA 2.131 64.223 62.100 -0.013 0.000 1.118 489 T CB -0.250 68.558 68.868 -0.100 0.000 0.889 489 T HN 0.562 nan 8.240 nan 0.000 0.506 490 Y N 1.653 122.045 120.300 0.153 0.000 2.314 490 Y HA 0.294 4.848 4.550 0.007 0.000 0.293 490 Y C 2.945 178.951 175.900 0.177 0.000 1.129 490 Y CA 0.447 58.634 58.100 0.146 0.000 1.201 490 Y CB -0.646 37.905 38.460 0.153 0.000 0.999 490 Y HN 0.335 nan 8.280 nan 0.000 0.541 491 A N 0.114 123.166 122.820 0.387 0.000 1.969 491 A HA -0.123 4.188 4.320 -0.015 0.000 0.218 491 A C 2.186 180.039 177.584 0.449 0.000 1.169 491 A CA 1.060 53.374 52.037 0.462 0.000 0.635 491 A CB -0.975 18.352 19.000 0.544 0.000 0.810 491 A HN 0.500 nan 8.150 nan 0.000 0.445 492 L N -0.385 120.934 121.223 0.160 0.000 2.081 492 L HA -0.248 4.083 4.340 -0.015 0.000 0.212 492 L C 1.950 178.805 176.870 -0.025 0.000 1.080 492 L CA 1.647 56.377 54.840 -0.184 0.000 0.754 492 L CB -0.546 41.323 42.059 -0.317 0.000 0.893 492 L HN 0.399 nan 8.230 nan 0.000 0.433 493 D N -0.932 119.500 120.400 0.053 0.000 2.263 493 D HA -0.206 4.425 4.640 -0.015 0.000 0.208 493 D C 1.781 178.125 176.300 0.074 0.000 0.971 493 D CA 1.269 55.303 54.000 0.057 0.000 0.867 493 D CB 0.170 41.025 40.800 0.091 0.000 0.929 493 D HN 0.355 nan 8.370 nan 0.000 0.492 494 F N -0.630 119.283 119.950 -0.063 0.000 2.383 494 F HA -0.029 4.487 4.527 -0.019 0.000 0.287 494 F C 1.666 177.334 175.800 -0.220 0.000 1.069 494 F CA 0.426 58.311 58.000 -0.191 0.000 1.402 494 F CB -0.186 38.603 39.000 -0.352 0.000 1.116 494 F HN -0.185 nan 8.300 nan 0.000 0.549 495 Y N 1.091 121.380 120.300 -0.017 0.000 2.561 495 Y HA 0.084 4.623 4.550 -0.019 0.000 0.291 495 Y C 1.024 176.881 175.900 -0.070 0.000 1.141 495 Y CA 0.644 58.711 58.100 -0.054 0.000 1.303 495 Y CB -0.445 38.216 38.460 0.335 0.000 1.015 495 Y HN 0.045 nan 8.280 nan 0.000 0.547 496 T N -3.492 111.060 114.554 -0.003 0.000 2.887 496 T HA 0.462 4.803 4.350 -0.015 0.000 0.292 496 T C -1.129 173.544 174.700 -0.045 0.000 1.087 496 T CA -1.144 60.950 62.100 -0.011 0.000 1.009 496 T CB 2.702 71.540 68.868 -0.049 0.000 1.203 496 T HN -0.235 nan 8.240 nan 0.000 0.518 497 D N 0.755 121.145 120.400 -0.016 0.000 2.350 497 D HA 0.506 5.137 4.640 -0.015 0.000 0.245 497 D C -0.347 175.952 176.300 -0.003 0.000 1.036 497 D CA -0.436 53.554 54.000 -0.017 0.000 0.848 497 D CB 2.091 42.888 40.800 -0.005 0.000 1.307 497 D HN 0.483 nan 8.370 nan 0.000 0.469 498 L N 1.292 122.513 121.223 -0.003 0.000 2.375 498 L HA 0.373 4.704 4.340 -0.015 0.000 0.271 498 L C 0.467 177.342 176.870 0.008 0.000 1.107 498 L CA -0.182 54.663 54.840 0.009 0.000 0.806 498 L CB 0.839 42.906 42.059 0.012 0.000 1.146 498 L HN 0.115 nan 8.230 nan 0.000 0.447 499 K N 1.073 121.481 120.400 0.014 0.000 2.482 499 K HA 0.430 4.741 4.320 -0.015 0.000 0.251 499 K C -1.380 175.209 176.600 -0.018 0.000 0.936 499 K CA -0.484 55.801 56.287 -0.005 0.000 0.791 499 K CB 1.881 34.378 32.500 -0.005 0.000 1.213 499 K HN 0.477 nan 8.250 nan 0.000 0.428 500 T N 4.941 119.476 114.554 -0.032 0.000 2.758 500 T HA 0.445 4.786 4.350 -0.015 0.000 0.285 500 T C -0.219 174.418 174.700 -0.105 0.000 0.981 500 T CA -0.441 61.641 62.100 -0.030 0.000 0.965 500 T CB 0.234 69.108 68.868 0.010 0.000 0.927 500 T HN 0.403 nan 8.240 nan 0.000 0.448 501 I N 3.026 123.426 120.570 -0.283 0.000 2.378 501 I HA 0.658 4.819 4.170 -0.015 0.000 0.291 501 I C 0.205 176.128 176.117 -0.323 0.000 0.992 501 I CA -0.888 60.166 61.300 -0.409 0.000 1.154 501 I CB 1.466 38.955 38.000 -0.852 0.000 1.315 501 I HN 0.614 nan 8.210 nan 0.000 0.448 502 A N 7.279 129.982 122.820 -0.195 0.000 2.356 502 A HA 1.021 5.332 4.320 -0.015 0.000 0.323 502 A C -1.034 176.498 177.584 -0.086 0.000 1.119 502 A CA -0.513 51.361 52.037 -0.273 0.000 0.790 502 A CB 1.679 20.408 19.000 -0.450 0.000 1.273 502 A HN 0.704 nan 8.150 nan 0.000 0.452 503 L N -0.853 120.351 121.223 -0.031 0.000 2.666 503 L HA 0.659 4.990 4.340 -0.015 0.000 0.259 503 L C -3.131 173.600 176.870 -0.233 0.000 0.919 503 L CA -1.460 53.349 54.840 -0.051 0.000 0.927 503 L CB 1.865 43.910 42.059 -0.024 0.000 1.423 503 L HN 0.399 nan 8.230 nan 0.000 0.426 504 P HA 0.285 nan 4.420 nan 0.000 0.278 504 P C 0.058 177.041 177.300 -0.528 0.000 1.238 504 P CA -0.316 62.100 63.100 -1.139 0.000 0.794 504 P CB 1.714 32.601 31.700 -1.355 0.000 0.955 505 L N 1.327 122.292 121.223 -0.430 0.000 2.567 505 L HA 0.185 4.516 4.340 -0.015 0.000 0.225 505 L C 1.354 178.108 176.870 -0.194 0.000 1.119 505 L CA 0.379 55.087 54.840 -0.220 0.000 0.871 505 L CB -0.396 41.587 42.059 -0.126 0.000 1.036 505 L HN 0.506 nan 8.230 nan 0.000 0.459 506 R N -1.548 118.798 120.500 -0.257 0.000 2.716 506 R HA 0.436 4.767 4.340 -0.015 0.000 0.271 506 R C -3.019 173.160 176.300 -0.202 0.000 1.028 506 R CA -1.832 54.163 56.100 -0.175 0.000 0.883 506 R CB 0.036 30.268 30.300 -0.115 0.000 1.250 506 R HN -0.344 nan 8.270 nan 0.000 0.465 507 P HA 0.028 nan 4.420 nan 0.000 0.255 507 P C -2.046 175.209 177.300 -0.074 0.000 1.173 507 P CA -0.138 62.905 63.100 -0.096 0.000 0.780 507 P CB 0.055 31.726 31.700 -0.049 0.000 0.758 508 P HA 0.165 nan 4.420 nan 0.000 0.281 508 P C -0.779 176.597 177.300 0.126 0.000 1.281 508 P CA -0.474 62.651 63.100 0.042 0.000 0.811 508 P CB 0.698 32.435 31.700 0.063 0.000 1.154 509 H N -0.279 118.869 119.070 0.129 0.000 2.742 509 H HA 0.380 4.926 4.556 -0.016 0.000 0.302 509 H C -1.035 174.355 175.328 0.104 0.000 1.069 509 H CA -0.136 55.971 56.048 0.100 0.000 1.446 509 H CB -0.024 29.798 29.762 0.100 0.000 1.462 509 H HN -0.031 nan 8.280 nan 0.000 0.499 510 V N 9.174 128.810 119.914 -0.463 0.000 2.407 510 V HA 0.282 4.393 4.120 -0.015 0.000 0.291 510 V C -2.032 173.767 176.094 -0.493 0.000 1.018 510 V CA -1.765 60.313 62.300 -0.371 0.000 0.842 510 V CB 1.358 33.095 31.823 -0.144 0.000 0.996 510 V HN 0.883 nan 8.190 nan 0.000 0.426 511 P HA 0.116 nan 4.420 nan 0.000 0.266 511 P C -0.884 176.411 177.300 -0.009 0.000 1.195 511 P CA -0.223 62.783 63.100 -0.157 0.000 0.768 511 P CB 0.699 32.383 31.700 -0.027 0.000 0.838 512 K N 2.968 123.440 120.400 0.121 0.000 2.248 512 K HA 0.450 4.761 4.320 -0.015 0.000 0.281 512 K C -0.375 176.449 176.600 0.372 0.000 1.054 512 K CA -0.329 56.059 56.287 0.169 0.000 0.903 512 K CB 0.281 32.845 32.500 0.107 0.000 1.077 512 K HN 0.358 nan 8.250 nan 0.000 0.474 513 F N -0.129 119.817 119.950 -0.007 0.000 2.540 513 F HA 0.373 4.892 4.527 -0.014 0.000 0.317 513 F C 1.091 176.890 175.800 -0.002 0.000 1.104 513 F CA -0.887 57.112 58.000 -0.002 0.000 0.913 513 F CB 2.092 41.090 39.000 -0.003 0.000 1.170 513 F HN 0.771 nan 8.300 nan 0.000 0.450 514 G N 2.383 111.205 108.800 0.036 0.000 2.246 514 G HA2 -0.280 3.671 3.960 -0.015 0.000 0.273 514 G HA3 -0.280 3.671 3.960 -0.015 0.000 0.273 514 G C 0.103 175.018 174.900 0.025 0.000 1.055 514 G CA 0.131 45.244 45.100 0.021 0.000 0.851 514 G HN 0.556 nan 8.290 nan 0.000 0.500 515 K N 0.000 120.410 120.400 0.016 0.000 2.780 515 K HA 0.000 4.311 4.320 -0.015 0.000 0.191 515 K CA 0.000 56.298 56.287 0.019 0.000 0.838 515 K CB 0.000 32.517 32.500 0.029 0.000 1.064 515 K HN 0.000 nan 8.250 nan 0.000 0.543