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 2nwl_1_A DATA FIRST_RESID 10 DATA SEQUENCE YPVLIKILIG LILGAIVGLI LGHYGYAHAV HTYVKPFGDL FVRLLKMLVM DATA SEQUENCE PIVFASLVVG AASISPARLG RVGVKIVVYY LLTSAFAVTL GIIMARLFNP DATA SEQUENCE GAGIHLAVGG QQFXXXXXPP LVHILLDIVP TNPFGALANG QVLPTIFFAI DATA SEQUENCE ILGIAITYLM NSENEKVRKS AETLLDAING LAEAMYKIVN GVMQYAPIGV DATA SEQUENCE FALIAYVMAE QGVHVVGELA KVTAAVYVGL TLQILLVYFV LLKIYGIDPI DATA SEQUENCE SFIKHAKDAM LTAFVTRSSS GTLPVTMRVA KEMGISEGIY SFTLPLGATI DATA SEQUENCE NMDGTALYQG VCTFFIANAL GSHLTVGQQL TIVLTAVLAS IGTAGVPGAG DATA SEQUENCE AIMLAMVLHS VGLPLTDPNV AAAYAMILGI DAILDMGRTM VNVTGDLTGT DATA SEQUENCE AIVAKTE 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 10 Y HA 0.000 nan 4.550 nan 0.000 0.201 10 Y C 0.000 175.881 175.900 -0.031 0.000 1.272 10 Y CA 0.000 58.079 58.100 -0.036 0.000 1.940 10 Y CB 0.000 38.435 38.460 -0.041 0.000 1.050 11 P HA 0.559 nan 4.420 nan 0.000 0.300 11 P C 0.360 177.733 177.300 0.123 0.000 1.294 11 P CA -0.111 63.049 63.100 0.099 0.000 0.757 11 P CB -0.150 31.578 31.700 0.046 0.000 1.377 12 V N -0.590 119.358 119.914 0.057 0.000 3.766 12 V HA 0.048 4.080 4.120 -0.147 0.000 0.286 12 V C 0.988 177.085 176.094 0.005 0.000 1.055 12 V CA -0.134 62.188 62.300 0.037 0.000 1.060 12 V CB -0.529 31.302 31.823 0.013 0.000 1.210 12 V HN 0.385 nan 8.190 nan 0.000 0.457 13 L N 1.707 122.922 121.223 -0.015 0.000 2.862 13 L HA 0.227 4.478 4.340 -0.147 0.000 0.240 13 L C 1.409 178.254 176.870 -0.042 0.000 1.283 13 L CA 0.741 55.554 54.840 -0.045 0.000 1.117 13 L CB -0.653 41.380 42.059 -0.044 0.000 1.444 13 L HN 0.830 nan 8.230 nan 0.000 0.456 14 I N -1.564 118.987 120.570 -0.032 0.000 3.904 14 I HA 0.164 4.245 4.170 -0.147 0.000 0.333 14 I C 2.219 178.314 176.117 -0.038 0.000 1.361 14 I CA 0.854 62.135 61.300 -0.030 0.000 1.116 14 I CB -0.824 37.165 38.000 -0.019 0.000 1.028 14 I HN 0.339 nan 8.210 nan 0.000 0.398 15 K N 0.185 120.553 120.400 -0.053 0.000 2.432 15 K HA 0.139 4.371 4.320 -0.147 0.000 0.196 15 K C 1.690 178.238 176.600 -0.087 0.000 1.038 15 K CA 1.247 57.491 56.287 -0.071 0.000 0.986 15 K CB -0.757 31.685 32.500 -0.095 0.000 0.782 15 K HN 0.678 nan 8.250 nan 0.000 0.485 16 I N 0.625 121.145 120.570 -0.083 0.000 2.202 16 I HA -0.199 3.883 4.170 -0.147 0.000 0.242 16 I C 2.142 178.233 176.117 -0.043 0.000 1.091 16 I CA 0.790 62.043 61.300 -0.078 0.000 1.368 16 I CB -0.003 37.957 38.000 -0.067 0.000 1.058 16 I HN 0.186 nan 8.210 nan 0.000 0.410 17 L N 0.126 121.327 121.223 -0.036 0.000 2.046 17 L HA -0.181 4.070 4.340 -0.147 0.000 0.208 17 L C 2.894 179.757 176.870 -0.013 0.000 1.077 17 L CA 2.269 57.094 54.840 -0.025 0.000 0.747 17 L CB -1.764 40.279 42.059 -0.026 0.000 0.896 17 L HN 0.347 nan 8.230 nan 0.000 0.432 18 I N -0.643 119.916 120.570 -0.018 0.000 2.361 18 I HA -0.076 4.006 4.170 -0.147 0.000 0.251 18 I C 2.495 178.619 176.117 0.012 0.000 1.133 18 I CA 1.913 63.207 61.300 -0.011 0.000 1.413 18 I CB -1.639 36.343 38.000 -0.029 0.000 1.073 18 I HN 0.322 nan 8.210 nan 0.000 0.424 19 G N -0.619 108.187 108.800 0.010 0.000 2.494 19 G HA2 0.043 3.915 3.960 -0.147 0.000 0.216 19 G HA3 0.043 3.915 3.960 -0.147 0.000 0.216 19 G C 1.618 176.610 174.900 0.154 0.000 1.140 19 G CA 0.956 46.108 45.100 0.087 0.000 0.801 19 G HN 0.625 nan 8.290 nan 0.000 0.536 20 L N 0.654 121.915 121.223 0.064 0.000 2.044 20 L HA 0.121 4.373 4.340 -0.147 0.000 0.205 20 L C 2.466 179.363 176.870 0.046 0.000 1.075 20 L CA 1.292 56.162 54.840 0.049 0.000 0.747 20 L CB -0.277 41.791 42.059 0.015 0.000 0.903 20 L HN 0.027 nan 8.230 nan 0.000 0.435 21 I N -0.430 120.162 120.570 0.036 0.000 2.142 21 I HA -0.251 3.831 4.170 -0.147 0.000 0.240 21 I C 2.563 178.714 176.117 0.057 0.000 1.078 21 I CA 1.360 62.678 61.300 0.030 0.000 1.343 21 I CB -1.456 36.554 38.000 0.015 0.000 1.046 21 I HN 0.335 nan 8.210 nan 0.000 0.405 22 L N 1.399 122.683 121.223 0.103 0.000 2.042 22 L HA -0.123 4.129 4.340 -0.147 0.000 0.210 22 L C 2.454 179.450 176.870 0.211 0.000 1.076 22 L CA 2.264 57.209 54.840 0.174 0.000 0.749 22 L CB -1.153 41.030 42.059 0.207 0.000 0.893 22 L HN 0.256 nan 8.230 nan 0.000 0.432 23 G N -1.491 107.402 108.800 0.155 0.000 2.418 23 G HA2 -0.236 3.636 3.960 -0.147 0.000 0.217 23 G HA3 -0.236 3.636 3.960 -0.147 0.000 0.217 23 G C 1.590 176.374 174.900 -0.194 0.000 1.158 23 G CA 0.745 45.646 45.100 -0.331 0.000 0.771 23 G HN 0.613 nan 8.290 nan 0.000 0.545 24 A N 0.348 123.134 122.820 -0.056 0.000 1.898 24 A HA 0.108 4.339 4.320 -0.147 0.000 0.216 24 A C 2.337 179.915 177.584 -0.010 0.000 1.181 24 A CA 1.306 53.330 52.037 -0.022 0.000 0.620 24 A CB -0.279 18.728 19.000 0.012 0.000 0.819 24 A HN 0.299 nan 8.150 nan 0.000 0.442 25 I N -0.752 119.822 120.570 0.007 0.000 2.133 25 I HA -0.160 3.922 4.170 -0.147 0.000 0.238 25 I C 2.439 178.571 176.117 0.026 0.000 1.074 25 I CA 1.072 62.384 61.300 0.020 0.000 1.342 25 I CB -0.417 37.600 38.000 0.029 0.000 1.053 25 I HN 0.116 nan 8.210 nan 0.000 0.404 26 V N 0.798 120.733 119.914 0.036 0.000 2.332 26 V HA -0.275 3.756 4.120 -0.147 0.000 0.248 26 V C 2.456 178.562 176.094 0.019 0.000 1.055 26 V CA 2.199 64.529 62.300 0.050 0.000 1.038 26 V CB -1.572 30.335 31.823 0.139 0.000 0.651 26 V HN 0.609 nan 8.190 nan 0.000 0.450 27 G N -0.462 108.315 108.800 -0.038 0.000 2.484 27 G HA2 -0.234 3.638 3.960 -0.147 0.000 0.215 27 G HA3 -0.234 3.638 3.960 -0.147 0.000 0.215 27 G C 1.501 176.429 174.900 0.046 0.000 1.219 27 G CA 0.969 46.062 45.100 -0.011 0.000 0.791 27 G HN 0.354 nan 8.290 nan 0.000 0.550 28 L N 1.006 122.250 121.223 0.035 0.000 2.021 28 L HA -0.116 4.136 4.340 -0.147 0.000 0.215 28 L C 2.866 179.805 176.870 0.116 0.000 1.074 28 L CA 1.396 56.270 54.840 0.058 0.000 0.760 28 L CB -0.768 41.309 42.059 0.030 0.000 0.889 28 L HN 0.320 nan 8.230 nan 0.000 0.433 29 I N -1.580 119.058 120.570 0.114 0.000 2.142 29 I HA -0.352 3.730 4.170 -0.147 0.000 0.240 29 I C 2.431 178.721 176.117 0.289 0.000 1.078 29 I CA 1.212 62.620 61.300 0.181 0.000 1.343 29 I CB -0.353 37.695 38.000 0.081 0.000 1.046 29 I HN 0.199 nan 8.210 nan 0.000 0.405 30 L N 0.473 121.816 121.223 0.199 0.000 2.079 30 L HA -0.183 4.069 4.340 -0.147 0.000 0.210 30 L C 2.532 179.596 176.870 0.324 0.000 1.081 30 L CA 1.609 56.605 54.840 0.260 0.000 0.752 30 L CB -0.869 41.299 42.059 0.182 0.000 0.896 30 L HN 0.363 nan 8.230 nan 0.000 0.433 31 G N -2.250 106.693 108.800 0.238 0.000 2.448 31 G HA2 -0.255 3.616 3.960 -0.147 0.000 0.218 31 G HA3 -0.255 3.616 3.960 -0.147 0.000 0.218 31 G C 1.509 176.501 174.900 0.152 0.000 1.135 31 G CA 0.255 45.463 45.100 0.181 0.000 0.784 31 G HN 0.420 nan 8.290 nan 0.000 0.543 32 H N -0.580 118.563 119.070 0.121 0.000 2.457 32 H HA 0.004 4.469 4.556 -0.151 0.000 0.294 32 H C 0.810 176.102 175.328 -0.059 0.000 1.064 32 H CA 0.766 56.826 56.048 0.020 0.000 1.330 32 H CB 0.188 29.974 29.762 0.040 0.000 1.395 32 H HN 0.416 nan 8.280 nan 0.000 0.541 33 Y N -0.130 120.215 120.300 0.075 0.000 2.495 33 Y HA 0.222 4.682 4.550 -0.150 0.000 0.293 33 Y C 1.711 177.464 175.900 -0.245 0.000 1.186 33 Y CA 0.450 58.545 58.100 -0.008 0.000 1.266 33 Y CB 0.314 38.878 38.460 0.174 0.000 1.101 33 Y HN 0.385 nan 8.280 nan 0.000 0.517 34 G N -0.793 107.940 108.800 -0.111 0.000 2.162 34 G HA2 -0.371 3.501 3.960 -0.147 0.000 0.260 34 G HA3 -0.371 3.501 3.960 -0.147 0.000 0.260 34 G C 0.206 174.983 174.900 -0.205 0.000 0.976 34 G CA 0.006 44.982 45.100 -0.206 0.000 0.655 34 G HN 0.555 nan 8.290 nan 0.000 0.533 35 Y N 0.447 120.830 120.300 0.140 0.000 2.801 35 Y HA 0.485 4.945 4.550 -0.150 0.000 0.340 35 Y C 2.295 178.304 175.900 0.183 0.000 1.088 35 Y CA 0.260 58.450 58.100 0.150 0.000 1.444 35 Y CB 0.087 38.624 38.460 0.128 0.000 1.251 35 Y HN 0.352 nan 8.280 nan 0.000 0.522 36 A N -0.655 122.332 122.820 0.278 0.000 1.933 36 A HA -0.240 3.991 4.320 -0.147 0.000 0.218 36 A C 1.541 179.355 177.584 0.384 0.000 1.175 36 A CA 1.791 54.003 52.037 0.291 0.000 0.628 36 A CB -0.430 18.706 19.000 0.228 0.000 0.814 36 A HN 0.557 nan 8.150 nan 0.000 0.444 37 H N -0.941 118.268 119.070 0.232 0.000 2.502 37 H HA 0.301 4.764 4.556 -0.154 0.000 0.283 37 H C 2.241 177.755 175.328 0.310 0.000 1.015 37 H CA 0.793 56.983 56.048 0.236 0.000 1.298 37 H CB 0.007 29.857 29.762 0.146 0.000 1.411 37 H HN 0.489 nan 8.280 nan 0.000 0.556 38 A N -0.211 122.861 122.820 0.419 0.000 1.897 38 A HA -0.079 4.153 4.320 -0.147 0.000 0.215 38 A C 2.466 180.252 177.584 0.337 0.000 1.181 38 A CA 1.360 53.611 52.037 0.357 0.000 0.620 38 A CB -0.670 18.482 19.000 0.252 0.000 0.821 38 A HN 0.234 nan 8.150 nan 0.000 0.443 39 V N -0.008 120.090 119.914 0.307 0.000 2.343 39 V HA -0.266 3.766 4.120 -0.147 0.000 0.247 39 V C 2.543 178.780 176.094 0.238 0.000 1.051 39 V CA 2.132 64.598 62.300 0.276 0.000 1.036 39 V CB -1.038 30.956 31.823 0.285 0.000 0.654 39 V HN 0.779 nan 8.190 nan 0.000 0.451 40 H N 0.572 119.725 119.070 0.138 0.000 2.387 40 H HA -0.149 4.314 4.556 -0.154 0.000 0.299 40 H C 2.178 177.424 175.328 -0.137 0.000 1.090 40 H CA 2.191 58.170 56.048 -0.115 0.000 1.332 40 H CB -0.023 29.639 29.762 -0.167 0.000 1.386 40 H HN 0.533 nan 8.280 nan 0.000 0.516 41 T N -1.556 113.058 114.554 0.100 0.000 3.043 41 T HA -0.041 4.220 4.350 -0.147 0.000 0.263 41 T C 1.396 175.959 174.700 -0.227 0.000 1.094 41 T CA 0.708 62.784 62.100 -0.040 0.000 1.127 41 T CB -0.091 68.822 68.868 0.075 0.000 0.905 41 T HN 0.259 nan 8.240 nan 0.000 0.490 42 Y N -0.790 119.498 120.300 -0.019 0.000 2.652 42 Y HA 0.238 4.697 4.550 -0.151 0.000 0.275 42 Y C 2.407 178.350 175.900 0.071 0.000 1.133 42 Y CA -0.087 58.024 58.100 0.018 0.000 1.246 42 Y CB 0.868 39.376 38.460 0.081 0.000 1.334 42 Y HN 0.062 nan 8.280 nan 0.000 0.493 43 V N -0.365 119.697 119.914 0.247 0.000 2.672 43 V HA 0.005 4.037 4.120 -0.147 0.000 0.242 43 V C 2.373 178.563 176.094 0.160 0.000 1.059 43 V CA 1.622 64.105 62.300 0.304 0.000 1.081 43 V CB -1.058 30.923 31.823 0.263 0.000 0.752 43 V HN 0.238 nan 8.190 nan 0.000 0.472 44 K N 1.001 121.375 120.400 -0.044 0.000 2.113 44 K HA -0.197 4.034 4.320 -0.147 0.000 0.208 44 K C 0.378 176.868 176.600 -0.182 0.000 1.047 44 K CA 2.383 58.550 56.287 -0.201 0.000 0.928 44 K CB -2.564 29.569 32.500 -0.611 0.000 0.716 44 K HN 0.579 nan 8.250 nan 0.000 0.446 45 P HA -0.065 nan 4.420 nan 0.000 0.218 45 P C 1.017 178.209 177.300 -0.179 0.000 1.148 45 P CA 0.807 63.728 63.100 -0.297 0.000 0.822 45 P CB -0.119 31.300 31.700 -0.467 0.000 0.784 46 F N -0.650 119.348 119.950 0.080 0.000 2.186 46 F HA -0.035 4.402 4.527 -0.150 0.000 0.299 46 F C 2.543 178.503 175.800 0.267 0.000 1.090 46 F CA 1.224 59.347 58.000 0.204 0.000 1.307 46 F CB -1.126 37.998 39.000 0.206 0.000 1.019 46 F HN -0.042 nan 8.300 nan 0.000 0.489 47 G N -0.803 108.191 108.800 0.324 0.000 2.448 47 G HA2 -0.161 3.710 3.960 -0.147 0.000 0.218 47 G HA3 -0.161 3.710 3.960 -0.147 0.000 0.218 47 G C 1.213 176.270 174.900 0.262 0.000 1.135 47 G CA 0.685 45.954 45.100 0.283 0.000 0.784 47 G HN 0.192 nan 8.290 nan 0.000 0.543 48 D N 0.197 120.679 120.400 0.137 0.000 2.149 48 D HA -0.057 4.494 4.640 -0.147 0.000 0.201 48 D C 2.401 178.758 176.300 0.094 0.000 0.972 48 D CA 0.295 54.332 54.000 0.061 0.000 0.835 48 D CB -0.196 40.575 40.800 -0.049 0.000 0.966 48 D HN 0.223 nan 8.370 nan 0.000 0.476 49 L N 0.488 121.793 121.223 0.137 0.000 2.043 49 L HA -0.174 4.077 4.340 -0.147 0.000 0.212 49 L C 2.091 179.072 176.870 0.185 0.000 1.075 49 L CA 1.434 56.337 54.840 0.104 0.000 0.752 49 L CB -0.800 41.299 42.059 0.067 0.000 0.891 49 L HN -0.069 nan 8.230 nan 0.000 0.432 50 F N -0.592 119.510 119.950 0.254 0.000 2.126 50 F HA -0.213 4.223 4.527 -0.152 0.000 0.299 50 F C 2.165 178.044 175.800 0.131 0.000 1.096 50 F CA 2.006 60.178 58.000 0.287 0.000 1.255 50 F CB -0.777 38.431 39.000 0.347 0.000 0.997 50 F HN -0.026 nan 8.300 nan 0.000 0.479 51 V N 1.101 120.996 119.914 -0.032 0.000 2.261 51 V HA -0.280 3.751 4.120 -0.147 0.000 0.246 51 V C 2.654 178.671 176.094 -0.128 0.000 1.047 51 V CA 1.924 64.128 62.300 -0.160 0.000 1.015 51 V CB -0.779 31.015 31.823 -0.048 0.000 0.642 51 V HN 0.193 nan 8.190 nan 0.000 0.446 52 R N 0.094 120.559 120.500 -0.059 0.000 2.133 52 R HA -0.197 4.055 4.340 -0.147 0.000 0.245 52 R C 2.233 178.492 176.300 -0.070 0.000 1.137 52 R CA 1.770 57.837 56.100 -0.055 0.000 0.947 52 R CB -1.334 28.942 30.300 -0.039 0.000 0.865 52 R HN 0.455 nan 8.270 nan 0.000 0.437 53 L N 0.400 121.582 121.223 -0.069 0.000 2.046 53 L HA -0.174 4.078 4.340 -0.147 0.000 0.208 53 L C 2.539 179.352 176.870 -0.094 0.000 1.077 53 L CA 1.168 55.971 54.840 -0.061 0.000 0.747 53 L CB -0.432 41.620 42.059 -0.013 0.000 0.896 53 L HN 0.125 nan 8.230 nan 0.000 0.432 54 L N -0.849 120.265 121.223 -0.182 0.000 2.072 54 L HA -0.160 4.091 4.340 -0.147 0.000 0.205 54 L C 2.718 179.516 176.870 -0.121 0.000 1.079 54 L CA 0.891 55.619 54.840 -0.186 0.000 0.752 54 L CB -0.563 41.302 42.059 -0.324 0.000 0.906 54 L HN 0.185 nan 8.230 nan 0.000 0.436 55 K N 0.067 120.400 120.400 -0.111 0.000 2.063 55 K HA -0.240 3.992 4.320 -0.147 0.000 0.208 55 K C 2.034 178.602 176.600 -0.053 0.000 1.048 55 K CA 1.672 57.916 56.287 -0.072 0.000 0.928 55 K CB -0.483 31.979 32.500 -0.063 0.000 0.713 55 K HN 0.345 nan 8.250 nan 0.000 0.442 56 M N 0.933 120.501 119.600 -0.053 0.000 2.082 56 M HA -0.202 4.189 4.480 -0.147 0.000 0.258 56 M C 1.817 178.097 176.300 -0.033 0.000 1.069 56 M CA 1.678 56.955 55.300 -0.038 0.000 1.102 56 M CB -0.087 32.490 32.600 -0.037 0.000 1.336 56 M HN 0.043 nan 8.290 nan 0.000 0.404 57 L N -0.809 120.388 121.223 -0.044 0.000 2.313 57 L HA -0.079 4.172 4.340 -0.147 0.000 0.214 57 L C 2.257 179.101 176.870 -0.044 0.000 1.119 57 L CA 0.046 54.857 54.840 -0.048 0.000 0.809 57 L CB -0.745 41.276 42.059 -0.065 0.000 0.933 57 L HN 0.189 nan 8.230 nan 0.000 0.449 58 V N -0.216 119.677 119.914 -0.035 0.000 2.233 58 V HA -0.327 3.704 4.120 -0.147 0.000 0.247 58 V C 2.675 178.776 176.094 0.012 0.000 1.050 58 V CA 1.790 64.079 62.300 -0.018 0.000 1.010 58 V CB -0.426 31.388 31.823 -0.015 0.000 0.637 58 V HN 0.345 nan 8.190 nan 0.000 0.444 59 M N -0.661 118.950 119.600 0.019 0.000 2.065 59 M HA -0.091 4.301 4.480 -0.147 0.000 0.259 59 M C 0.284 176.638 176.300 0.089 0.000 1.069 59 M CA 2.174 57.503 55.300 0.048 0.000 1.110 59 M CB -2.647 29.967 32.600 0.024 0.000 1.328 59 M HN 0.280 nan 8.290 nan 0.000 0.405 60 P HA -0.082 nan 4.420 nan 0.000 0.215 60 P C 1.962 179.324 177.300 0.102 0.000 1.157 60 P CA 1.115 64.279 63.100 0.108 0.000 0.863 60 P CB -0.047 31.687 31.700 0.057 0.000 0.787 61 I N -0.882 119.692 120.570 0.006 0.000 2.226 61 I HA -0.215 3.867 4.170 -0.147 0.000 0.245 61 I C 1.937 178.056 176.117 0.005 0.000 1.100 61 I CA 1.408 62.661 61.300 -0.078 0.000 1.374 61 I CB -0.163 37.703 38.000 -0.223 0.000 1.057 61 I HN -0.206 nan 8.210 nan 0.000 0.413 62 V N 0.585 120.535 119.914 0.060 0.000 2.307 62 V HA -0.304 3.728 4.120 -0.147 0.000 0.245 62 V C 2.156 178.330 176.094 0.133 0.000 1.045 62 V CA 2.141 64.498 62.300 0.096 0.000 1.024 62 V CB -0.745 31.140 31.823 0.103 0.000 0.651 62 V HN 0.494 nan 8.190 nan 0.000 0.449 63 F N 1.666 121.645 119.950 0.048 0.000 2.051 63 F HA -0.167 4.271 4.527 -0.148 0.000 0.296 63 F C 2.286 178.117 175.800 0.051 0.000 1.122 63 F CA 1.866 59.906 58.000 0.066 0.000 1.201 63 F CB -0.763 38.287 39.000 0.083 0.000 0.978 63 F HN 0.063 nan 8.300 nan 0.000 0.472 64 A N -0.522 122.260 122.820 -0.063 0.000 1.930 64 A HA -0.127 4.104 4.320 -0.147 0.000 0.217 64 A C 2.297 179.784 177.584 -0.161 0.000 1.175 64 A CA 1.924 53.848 52.037 -0.189 0.000 0.627 64 A CB -1.233 17.804 19.000 0.061 0.000 0.815 64 A HN 0.470 nan 8.150 nan 0.000 0.443 65 S N -0.659 115.011 115.700 -0.050 0.000 2.428 65 S HA -0.064 4.317 4.470 -0.147 0.000 0.230 65 S C 1.732 176.272 174.600 -0.099 0.000 1.014 65 S CA 1.172 59.370 58.200 -0.004 0.000 0.957 65 S CB -0.230 63.048 63.200 0.130 0.000 0.784 65 S HN 0.441 nan 8.310 nan 0.000 0.499 66 L N 1.690 122.837 121.223 -0.126 0.000 2.179 66 L HA 0.123 4.375 4.340 -0.147 0.000 0.208 66 L C 2.064 178.808 176.870 -0.209 0.000 1.096 66 L CA 1.262 56.025 54.840 -0.128 0.000 0.779 66 L CB -0.626 41.403 42.059 -0.051 0.000 0.922 66 L HN 0.098 nan 8.230 nan 0.000 0.443 67 V N -1.156 118.557 119.914 -0.336 0.000 2.358 67 V HA -0.235 3.796 4.120 -0.147 0.000 0.246 67 V C 2.425 178.383 176.094 -0.227 0.000 1.047 67 V CA 1.654 63.740 62.300 -0.357 0.000 1.035 67 V CB -0.471 31.028 31.823 -0.539 0.000 0.658 67 V HN 0.313 nan 8.190 nan 0.000 0.452 68 V N 0.895 120.698 119.914 -0.186 0.000 2.548 68 V HA -0.059 3.973 4.120 -0.147 0.000 0.249 68 V C 2.619 178.638 176.094 -0.125 0.000 1.055 68 V CA 1.740 63.967 62.300 -0.122 0.000 1.065 68 V CB -1.288 30.489 31.823 -0.077 0.000 0.681 68 V HN 0.590 nan 8.190 nan 0.000 0.462 69 G N 0.229 108.940 108.800 -0.148 0.000 2.448 69 G HA2 -0.124 3.747 3.960 -0.147 0.000 0.219 69 G HA3 -0.124 3.747 3.960 -0.147 0.000 0.219 69 G C 1.190 176.006 174.900 -0.141 0.000 1.127 69 G CA 0.637 45.642 45.100 -0.159 0.000 0.766 69 G HN 0.640 nan 8.290 nan 0.000 0.552 70 A N 0.488 123.219 122.820 -0.148 0.000 2.810 70 A HA 0.679 4.910 4.320 -0.147 0.000 0.247 70 A C 1.856 179.374 177.584 -0.110 0.000 1.576 70 A CA 0.909 52.861 52.037 -0.142 0.000 1.294 70 A CB -0.484 18.416 19.000 -0.166 0.000 0.976 70 A HN 0.505 nan 8.150 nan 0.000 0.631 71 A N 0.234 122.993 122.820 -0.100 0.000 1.956 71 A HA 0.268 4.499 4.320 -0.147 0.000 0.212 71 A C 1.675 179.214 177.584 -0.075 0.000 1.188 71 A CA 0.842 52.831 52.037 -0.080 0.000 0.675 71 A CB -0.675 18.281 19.000 -0.073 0.000 0.845 71 A HN 1.022 nan 8.150 nan 0.000 0.455 72 S N -0.049 115.603 115.700 -0.080 0.000 2.572 72 S HA 0.310 4.692 4.470 -0.147 0.000 0.267 72 S C 0.261 174.816 174.600 -0.074 0.000 1.361 72 S CA -0.503 57.653 58.200 -0.073 0.000 1.009 72 S CB -0.200 62.956 63.200 -0.074 0.000 0.888 72 S HN 0.332 nan 8.310 nan 0.000 0.553 73 I N 2.697 123.227 120.570 -0.066 0.000 2.919 73 I HA -0.101 3.981 4.170 -0.147 0.000 0.299 73 I C 1.798 177.876 176.117 -0.065 0.000 1.221 73 I CA 0.254 61.515 61.300 -0.064 0.000 1.424 73 I CB 0.233 38.200 38.000 -0.054 0.000 1.358 73 I HN 0.976 nan 8.210 nan 0.000 0.551 74 S N 8.179 123.849 115.700 -0.050 0.000 2.343 74 S HA -0.035 4.347 4.470 -0.147 0.000 0.219 74 S C -0.454 174.120 174.600 -0.044 0.000 1.033 74 S CA 1.265 59.444 58.200 -0.035 0.000 1.014 74 S CB -0.622 62.611 63.200 0.056 0.000 0.915 74 S HN 0.561 nan 8.310 nan 0.000 0.435 75 P HA 0.132 nan 4.420 nan 0.000 0.213 75 P C 0.968 178.244 177.300 -0.040 0.000 1.170 75 P CA 1.494 64.580 63.100 -0.024 0.000 0.893 75 P CB -0.362 31.331 31.700 -0.012 0.000 0.784 76 A N -0.896 121.900 122.820 -0.039 0.000 2.790 76 A HA 0.197 4.429 4.320 -0.147 0.000 0.225 76 A C 1.256 178.804 177.584 -0.059 0.000 1.904 76 A CA 0.208 52.221 52.037 -0.040 0.000 0.878 76 A CB -0.493 18.489 19.000 -0.031 0.000 1.774 76 A HN -0.027 nan 8.150 nan 0.000 0.714 77 R N -2.230 118.239 120.500 -0.051 0.000 3.649 77 R HA -0.280 3.972 4.340 -0.147 0.000 0.501 77 R C 1.537 177.780 176.300 -0.095 0.000 0.270 77 R CA 1.800 57.863 56.100 -0.061 0.000 1.034 77 R CB -2.328 27.930 30.300 -0.069 0.000 0.713 77 R HN 0.586 nan 8.270 nan 0.000 0.438 78 L N 0.622 121.749 121.223 -0.159 0.000 2.026 78 L HA -0.262 3.989 4.340 -0.147 0.000 0.231 78 L C 2.605 179.337 176.870 -0.231 0.000 1.095 78 L CA 2.868 57.533 54.840 -0.292 0.000 0.810 78 L CB -2.084 39.784 42.059 -0.318 0.000 0.909 78 L HN 0.770 nan 8.230 nan 0.000 0.444 79 G N -1.469 107.248 108.800 -0.139 0.000 2.511 79 G HA2 -0.370 3.501 3.960 -0.147 0.000 0.216 79 G HA3 -0.370 3.501 3.960 -0.147 0.000 0.216 79 G C 1.816 176.694 174.900 -0.037 0.000 1.218 79 G CA 2.389 47.444 45.100 -0.076 0.000 0.788 79 G HN 0.478 nan 8.290 nan 0.000 0.560 80 R N -0.178 120.304 120.500 -0.030 0.000 2.083 80 R HA 0.075 4.327 4.340 -0.147 0.000 0.237 80 R C 2.794 179.098 176.300 0.006 0.000 1.137 80 R CA 1.897 57.993 56.100 -0.007 0.000 0.951 80 R CB -1.447 28.848 30.300 -0.008 0.000 0.851 80 R HN 0.438 nan 8.270 nan 0.000 0.434 81 V N 0.417 120.331 119.914 0.001 0.000 2.407 81 V HA -0.084 3.947 4.120 -0.147 0.000 0.248 81 V C 2.557 178.727 176.094 0.127 0.000 1.055 81 V CA 2.215 64.541 62.300 0.044 0.000 1.049 81 V CB -0.735 31.120 31.823 0.055 0.000 0.662 81 V HN 0.722 nan 8.190 nan 0.000 0.455 82 G N -0.655 108.227 108.800 0.136 0.000 2.433 82 G HA2 -0.211 3.661 3.960 -0.147 0.000 0.216 82 G HA3 -0.211 3.661 3.960 -0.147 0.000 0.216 82 G C 1.656 176.646 174.900 0.151 0.000 1.186 82 G CA 1.291 46.558 45.100 0.279 0.000 0.779 82 G HN 0.422 nan 8.290 nan 0.000 0.543 83 V N 0.853 120.816 119.914 0.081 0.000 2.295 83 V HA -0.179 3.853 4.120 -0.147 0.000 0.246 83 V C 2.767 178.885 176.094 0.041 0.000 1.049 83 V CA 2.294 64.630 62.300 0.059 0.000 1.024 83 V CB -0.553 31.297 31.823 0.045 0.000 0.648 83 V HN 0.332 nan 8.190 nan 0.000 0.447 84 K N -0.376 120.040 120.400 0.027 0.000 2.001 84 K HA -0.220 4.012 4.320 -0.147 0.000 0.214 84 K C 2.109 178.690 176.600 -0.032 0.000 1.050 84 K CA 2.055 58.346 56.287 0.006 0.000 0.934 84 K CB -0.440 32.053 32.500 -0.012 0.000 0.718 84 K HN 0.316 nan 8.250 nan 0.000 0.443 85 I N 0.631 121.137 120.570 -0.107 0.000 2.315 85 I HA -0.217 3.864 4.170 -0.147 0.000 0.248 85 I C 1.884 177.760 176.117 -0.402 0.000 1.117 85 I CA 1.053 62.147 61.300 -0.345 0.000 1.404 85 I CB 0.084 37.809 38.000 -0.459 0.000 1.071 85 I HN -0.078 nan 8.210 nan 0.000 0.419 86 V N -0.519 119.314 119.914 -0.134 0.000 2.307 86 V HA -0.236 3.796 4.120 -0.147 0.000 0.245 86 V C 2.449 178.588 176.094 0.076 0.000 1.045 86 V CA 1.687 63.998 62.300 0.018 0.000 1.024 86 V CB -0.363 31.512 31.823 0.087 0.000 0.651 86 V HN 0.266 nan 8.190 nan 0.000 0.449 87 V N -0.685 119.267 119.914 0.062 0.000 2.332 87 V HA -0.320 3.711 4.120 -0.147 0.000 0.248 87 V C 2.201 178.353 176.094 0.097 0.000 1.055 87 V CA 2.594 64.941 62.300 0.079 0.000 1.038 87 V CB -0.806 31.061 31.823 0.073 0.000 0.651 87 V HN 0.702 nan 8.190 nan 0.000 0.450 88 Y N -0.145 120.139 120.300 -0.026 0.000 2.128 88 Y HA -0.319 4.142 4.550 -0.148 0.000 0.284 88 Y C 2.393 178.378 175.900 0.142 0.000 1.154 88 Y CA 1.904 60.004 58.100 -0.002 0.000 1.149 88 Y CB -0.558 37.836 38.460 -0.110 0.000 0.976 88 Y HN 0.302 nan 8.280 nan 0.000 0.505 89 Y N -1.292 119.067 120.300 0.098 0.000 2.181 89 Y HA -0.284 4.180 4.550 -0.144 0.000 0.288 89 Y C 2.348 178.221 175.900 -0.045 0.000 1.146 89 Y CA 0.326 58.441 58.100 0.025 0.000 1.164 89 Y CB -0.156 38.371 38.460 0.113 0.000 0.982 89 Y HN 0.200 nan 8.280 nan 0.000 0.515 90 L N -0.117 121.202 121.223 0.159 0.000 2.046 90 L HA -0.228 4.023 4.340 -0.147 0.000 0.208 90 L C 2.152 179.049 176.870 0.045 0.000 1.077 90 L CA 1.664 56.558 54.840 0.091 0.000 0.747 90 L CB -1.237 40.873 42.059 0.086 0.000 0.896 90 L HN 0.317 nan 8.230 nan 0.000 0.432 91 L N -1.102 120.125 121.223 0.006 0.000 2.072 91 L HA -0.161 4.091 4.340 -0.147 0.000 0.205 91 L C 2.526 179.394 176.870 -0.005 0.000 1.079 91 L CA 1.486 56.331 54.840 0.007 0.000 0.752 91 L CB -0.918 41.141 42.059 -0.000 0.000 0.906 91 L HN 0.366 nan 8.230 nan 0.000 0.436 92 T N -3.731 110.734 114.554 -0.148 0.000 2.746 92 T HA -0.156 4.106 4.350 -0.147 0.000 0.267 92 T C 2.041 176.755 174.700 0.023 0.000 1.039 92 T CA 1.562 63.588 62.100 -0.122 0.000 1.142 92 T CB -0.455 68.266 68.868 -0.245 0.000 0.866 92 T HN 0.145 nan 8.240 nan 0.000 0.444 93 S N 1.881 117.595 115.700 0.023 0.000 2.355 93 S HA 0.128 4.510 4.470 -0.147 0.000 0.222 93 S C 2.652 177.288 174.600 0.060 0.000 1.031 93 S CA 0.940 59.168 58.200 0.046 0.000 0.993 93 S CB -0.847 62.374 63.200 0.036 0.000 0.859 93 S HN 0.753 nan 8.310 nan 0.000 0.453 94 A N 0.310 123.167 122.820 0.062 0.000 1.972 94 A HA -0.055 4.176 4.320 -0.147 0.000 0.219 94 A C 1.870 179.482 177.584 0.047 0.000 1.169 94 A CA 1.185 53.251 52.037 0.049 0.000 0.635 94 A CB -0.718 18.310 19.000 0.046 0.000 0.810 94 A HN 0.505 nan 8.150 nan 0.000 0.446 95 F N 0.324 120.253 119.950 -0.036 0.000 2.128 95 F HA 0.033 4.470 4.527 -0.149 0.000 0.295 95 F C 2.625 178.395 175.800 -0.050 0.000 1.100 95 F CA 1.094 59.067 58.000 -0.045 0.000 1.260 95 F CB -0.203 38.759 39.000 -0.063 0.000 1.009 95 F HN 0.259 nan 8.300 nan 0.000 0.476 96 A N -0.515 122.421 122.820 0.193 0.000 1.940 96 A HA -0.219 4.012 4.320 -0.147 0.000 0.219 96 A C 2.297 179.903 177.584 0.037 0.000 1.176 96 A CA 1.946 54.046 52.037 0.106 0.000 0.631 96 A CB -1.488 17.555 19.000 0.071 0.000 0.814 96 A HN 0.368 nan 8.150 nan 0.000 0.446 97 V N -0.403 119.520 119.914 0.014 0.000 2.358 97 V HA -0.174 3.858 4.120 -0.147 0.000 0.246 97 V C 2.396 178.452 176.094 -0.063 0.000 1.047 97 V CA 3.093 65.385 62.300 -0.013 0.000 1.035 97 V CB -1.032 30.793 31.823 0.003 0.000 0.658 97 V HN 0.599 nan 8.190 nan 0.000 0.452 98 T N 1.294 115.779 114.554 -0.115 0.000 2.720 98 T HA -0.184 4.077 4.350 -0.147 0.000 0.268 98 T C 1.814 176.400 174.700 -0.189 0.000 1.037 98 T CA 1.943 63.928 62.100 -0.191 0.000 1.144 98 T CB -0.468 68.200 68.868 -0.334 0.000 0.864 98 T HN 0.376 nan 8.240 nan 0.000 0.444 99 L N 1.485 122.618 121.223 -0.150 0.000 2.131 99 L HA 0.139 4.391 4.340 -0.147 0.000 0.210 99 L C 2.505 179.336 176.870 -0.065 0.000 1.092 99 L CA 1.662 56.462 54.840 -0.065 0.000 0.759 99 L CB -1.256 40.839 42.059 0.059 0.000 0.903 99 L HN 0.325 nan 8.230 nan 0.000 0.435 100 G N -0.747 108.009 108.800 -0.072 0.000 2.464 100 G HA2 -0.109 3.763 3.960 -0.147 0.000 0.217 100 G HA3 -0.109 3.763 3.960 -0.147 0.000 0.217 100 G C 1.475 176.269 174.900 -0.176 0.000 1.138 100 G CA 0.565 45.612 45.100 -0.089 0.000 0.793 100 G HN 0.330 nan 8.290 nan 0.000 0.539 101 I N 1.062 121.501 120.570 -0.218 0.000 2.202 101 I HA -0.065 4.016 4.170 -0.147 0.000 0.242 101 I C 2.763 178.628 176.117 -0.419 0.000 1.091 101 I CA 0.830 61.880 61.300 -0.417 0.000 1.368 101 I CB -1.070 36.772 38.000 -0.263 0.000 1.058 101 I HN 0.143 nan 8.210 nan 0.000 0.410 102 I N 0.395 120.829 120.570 -0.226 0.000 2.194 102 I HA -0.328 3.754 4.170 -0.147 0.000 0.246 102 I C 2.568 178.631 176.117 -0.091 0.000 1.093 102 I CA 1.364 62.578 61.300 -0.143 0.000 1.355 102 I CB -0.305 37.642 38.000 -0.088 0.000 1.046 102 I HN 0.173 nan 8.210 nan 0.000 0.413 103 M N -0.043 119.521 119.600 -0.060 0.000 2.296 103 M HA -0.079 4.313 4.480 -0.147 0.000 0.265 103 M C 2.223 178.565 176.300 0.071 0.000 1.064 103 M CA 1.366 56.700 55.300 0.056 0.000 1.109 103 M CB -1.306 31.306 32.600 0.020 0.000 1.396 103 M HN 0.299 nan 8.290 nan 0.000 0.430 104 A N -0.866 121.876 122.820 -0.129 0.000 2.238 104 A HA 0.063 4.295 4.320 -0.147 0.000 0.210 104 A C 2.163 179.664 177.584 -0.138 0.000 1.179 104 A CA 0.289 52.239 52.037 -0.145 0.000 0.827 104 A CB -0.103 18.686 19.000 -0.351 0.000 0.856 104 A HN 0.323 nan 8.150 nan 0.000 0.488 105 R N -0.804 119.597 120.500 -0.165 0.000 2.206 105 R HA 0.230 4.481 4.340 -0.147 0.000 0.198 105 R C 1.491 177.800 176.300 0.014 0.000 0.986 105 R CA 0.028 56.100 56.100 -0.046 0.000 1.029 105 R CB -0.246 30.006 30.300 -0.080 0.000 0.966 105 R HN 0.369 nan 8.270 nan 0.000 0.487 106 L N 0.393 121.632 121.223 0.027 0.000 1.971 106 L HA 0.036 4.287 4.340 -0.147 0.000 0.208 106 L C 0.647 177.495 176.870 -0.036 0.000 1.083 106 L CA 1.424 56.262 54.840 -0.003 0.000 0.753 106 L CB -0.641 41.436 42.059 0.029 0.000 0.893 106 L HN -0.064 nan 8.230 nan 0.000 0.436 107 F N 0.256 120.209 119.950 0.005 0.000 2.459 107 F HA 0.096 4.539 4.527 -0.139 0.000 0.346 107 F C 0.774 176.600 175.800 0.043 0.000 1.128 107 F CA -0.078 57.940 58.000 0.030 0.000 1.268 107 F CB 0.011 39.036 39.000 0.042 0.000 1.161 107 F HN 0.063 nan 8.300 nan 0.000 0.583 108 N N 2.735 121.573 118.700 0.230 0.000 2.851 108 N HA 0.338 4.990 4.740 -0.147 0.000 0.248 108 N C -2.801 172.813 175.510 0.174 0.000 1.221 108 N CA -1.983 51.172 53.050 0.174 0.000 0.847 108 N CB 0.574 39.125 38.487 0.106 0.000 1.150 108 N HN 0.062 nan 8.380 nan 0.000 0.507 109 P HA 0.322 nan 4.420 nan 0.000 0.260 109 P C -0.301 177.038 177.300 0.064 0.000 1.651 109 P CA -0.214 63.035 63.100 0.248 0.000 1.139 109 P CB 0.353 32.288 31.700 0.392 0.000 1.756 110 G N 1.973 110.753 108.800 -0.033 0.000 2.409 110 G HA2 0.215 4.087 3.960 -0.147 0.000 0.231 110 G HA3 0.215 4.087 3.960 -0.147 0.000 0.231 110 G C 0.301 175.144 174.900 -0.095 0.000 3.185 110 G CA 0.028 45.004 45.100 -0.207 0.000 0.941 110 G HN 0.420 nan 8.290 nan 0.000 0.556 111 A N 0.111 122.903 122.820 -0.047 0.000 1.993 111 A HA 0.756 4.988 4.320 -0.147 0.000 0.207 111 A C 1.668 179.231 177.584 -0.035 0.000 1.224 111 A CA 1.463 53.484 52.037 -0.026 0.000 0.749 111 A CB -0.095 18.907 19.000 0.003 0.000 0.884 111 A HN 1.868 nan 8.150 nan 0.000 0.467 112 G N -0.092 108.688 108.800 -0.033 0.000 2.503 112 G HA2 0.465 4.336 3.960 -0.147 0.000 0.257 112 G HA3 0.465 4.336 3.960 -0.147 0.000 0.257 112 G C -0.292 174.577 174.900 -0.051 0.000 1.214 112 G CA -0.478 44.605 45.100 -0.027 0.000 0.839 112 G HN 0.293 nan 8.290 nan 0.000 0.559 113 I N 1.292 121.841 120.570 -0.035 0.000 2.436 113 I HA 0.190 4.271 4.170 -0.147 0.000 0.289 113 I C 1.455 177.555 176.117 -0.028 0.000 1.083 113 I CA -0.299 60.977 61.300 -0.039 0.000 1.372 113 I CB 0.006 37.990 38.000 -0.026 0.000 1.408 113 I HN 0.778 nan 8.210 nan 0.000 0.516 114 H N 6.926 125.972 119.070 -0.039 0.000 3.327 114 H HA 0.104 4.571 4.556 -0.147 0.000 0.229 114 H C 0.800 176.133 175.328 0.008 0.000 0.895 114 H CA 0.112 56.154 56.048 -0.010 0.000 1.380 114 H CB -0.495 29.261 29.762 -0.010 0.000 1.545 114 H HN 0.664 nan 8.280 nan 0.000 0.509 115 L N 2.454 123.688 121.223 0.018 0.000 1.886 115 L HA 0.040 4.291 4.340 -0.147 0.000 0.226 115 L C 2.314 179.193 176.870 0.016 0.000 1.091 115 L CA 1.430 56.279 54.840 0.016 0.000 0.799 115 L CB -0.704 41.367 42.059 0.021 0.000 0.889 115 L HN 0.835 nan 8.230 nan 0.000 0.429 116 A N -0.358 122.475 122.820 0.021 0.000 2.366 116 A HA 0.480 4.712 4.320 -0.147 0.000 0.249 116 A C -0.517 177.079 177.584 0.021 0.000 1.084 116 A CA -0.180 51.868 52.037 0.018 0.000 0.794 116 A CB 0.377 19.389 19.000 0.019 0.000 1.034 116 A HN 0.120 nan 8.150 nan 0.000 0.491 117 V N 0.439 120.363 119.914 0.017 0.000 2.577 117 V HA 0.731 4.763 4.120 -0.147 0.000 0.303 117 V C 0.319 176.423 176.094 0.016 0.000 1.042 117 V CA 0.445 62.756 62.300 0.018 0.000 0.872 117 V CB 1.284 33.114 31.823 0.012 0.000 0.998 117 V HN 1.946 nan 8.190 nan 0.000 0.423 118 G N 2.747 111.559 108.800 0.020 0.000 2.244 118 G HA2 0.498 4.369 3.960 -0.147 0.000 0.236 118 G HA3 0.498 4.369 3.960 -0.147 0.000 0.236 118 G C -0.071 174.841 174.900 0.021 0.000 1.632 118 G CA 0.003 45.114 45.100 0.017 0.000 1.231 118 G HN 1.597 nan 8.290 nan 0.000 0.635 119 G N 1.427 110.244 108.800 0.027 0.000 4.357 119 G HA2 0.524 4.396 3.960 -0.147 0.000 0.234 119 G HA3 0.524 4.396 3.960 -0.147 0.000 0.234 119 G C -0.000 174.926 174.900 0.044 0.000 3.600 119 G CA 0.235 45.353 45.100 0.031 0.000 0.615 119 G HN 0.957 nan 8.290 nan 0.000 0.209 120 Q N -0.241 119.581 119.800 0.038 0.000 2.317 120 Q HA 0.618 4.870 4.340 -0.147 0.000 0.229 120 Q C -0.723 175.305 176.000 0.047 0.000 0.984 120 Q CA -0.204 55.624 55.803 0.042 0.000 0.911 120 Q CB 1.445 30.196 28.738 0.023 0.000 1.217 120 Q HN 0.251 nan 8.270 nan 0.000 0.501 121 Q N -0.327 119.500 119.800 0.045 0.000 2.297 121 Q HA 0.736 4.987 4.340 -0.147 0.000 0.269 121 Q C -0.717 175.285 176.000 0.004 0.000 1.051 121 Q CA -0.169 55.658 55.803 0.040 0.000 0.869 121 Q CB 1.658 30.433 28.738 0.062 0.000 1.346 121 Q HN 0.637 nan 8.270 nan 0.000 0.457 129 P HA 0.200 nan 4.420 nan 0.000 0.255 129 P C 0.825 178.157 177.300 0.052 0.000 1.357 129 P CA -0.339 62.777 63.100 0.026 0.000 0.839 129 P CB 0.309 32.022 31.700 0.020 0.000 1.356 130 L N -1.616 119.637 121.223 0.050 0.000 3.965 130 L HA -0.360 3.892 4.340 -0.147 0.000 0.374 130 L C 1.610 178.508 176.870 0.047 0.000 3.373 130 L CA 2.335 57.201 54.840 0.044 0.000 1.779 130 L CB -1.690 40.388 42.059 0.032 0.000 2.704 130 L HN -0.028 nan 8.230 nan 0.000 0.686 131 V N -0.790 119.155 119.914 0.051 0.000 2.379 131 V HA -0.198 3.833 4.120 -0.147 0.000 0.245 131 V C 2.059 178.175 176.094 0.038 0.000 1.044 131 V CA 1.910 64.231 62.300 0.035 0.000 1.036 131 V CB -0.743 31.099 31.823 0.032 0.000 0.664 131 V HN 0.663 nan 8.190 nan 0.000 0.453 132 H N -0.655 118.409 119.070 -0.009 0.000 2.787 132 H HA 0.195 4.662 4.556 -0.147 0.000 0.302 132 H C 1.215 176.536 175.328 -0.012 0.000 1.098 132 H CA 0.596 56.636 56.048 -0.013 0.000 1.192 132 H CB 0.008 29.764 29.762 -0.010 0.000 1.316 132 H HN 0.414 nan 8.280 nan 0.000 0.590 133 I N -1.549 119.064 120.570 0.072 0.000 4.046 133 I HA -0.118 3.963 4.170 -0.147 0.000 0.285 133 I C 1.939 178.056 176.117 -0.000 0.000 1.183 133 I CA 0.058 61.388 61.300 0.050 0.000 1.337 133 I CB 0.424 38.454 38.000 0.051 0.000 1.478 133 I HN 0.115 nan 8.210 nan 0.000 0.452 134 L N 1.008 122.225 121.223 -0.010 0.000 2.017 134 L HA -0.183 4.069 4.340 -0.147 0.000 0.208 134 L C 2.440 179.259 176.870 -0.084 0.000 1.073 134 L CA 1.492 56.313 54.840 -0.031 0.000 0.745 134 L CB -0.456 41.593 42.059 -0.017 0.000 0.894 134 L HN 0.270 nan 8.230 nan 0.000 0.432 135 L N -0.279 120.878 121.223 -0.110 0.000 2.265 135 L HA -0.205 4.047 4.340 -0.147 0.000 0.215 135 L C 1.401 178.160 176.870 -0.185 0.000 1.117 135 L CA 0.816 55.556 54.840 -0.166 0.000 0.782 135 L CB -0.535 41.401 42.059 -0.206 0.000 0.914 135 L HN 0.294 nan 8.230 nan 0.000 0.441 136 D N -0.407 119.908 120.400 -0.142 0.000 2.349 136 D HA 0.012 4.564 4.640 -0.147 0.000 0.224 136 D C 2.024 178.272 176.300 -0.087 0.000 1.029 136 D CA 0.529 54.467 54.000 -0.102 0.000 0.879 136 D CB 0.145 40.925 40.800 -0.032 0.000 0.906 136 D HN 0.315 nan 8.370 nan 0.000 0.528 137 I N -0.026 120.472 120.570 -0.120 0.000 2.500 137 I HA -0.086 3.996 4.170 -0.147 0.000 0.252 137 I C 0.486 176.445 176.117 -0.264 0.000 1.142 137 I CA 0.414 61.642 61.300 -0.121 0.000 1.451 137 I CB 0.159 38.101 38.000 -0.096 0.000 1.093 137 I HN -0.194 nan 8.210 nan 0.000 0.430 138 V N 4.535 124.194 119.914 -0.425 0.000 2.415 138 V HA 0.125 4.157 4.120 -0.147 0.000 0.267 138 V C -1.847 174.139 176.094 -0.180 0.000 1.042 138 V CA -1.323 60.680 62.300 -0.495 0.000 1.000 138 V CB -0.176 31.350 31.823 -0.495 0.000 1.015 138 V HN 0.105 nan 8.190 nan 0.000 0.478 139 P HA 0.180 nan 4.420 nan 0.000 0.274 139 P C 0.618 177.883 177.300 -0.058 0.000 1.231 139 P CA -0.161 62.910 63.100 -0.047 0.000 0.790 139 P CB 0.916 32.591 31.700 -0.040 0.000 0.951 140 T N -2.829 111.687 114.554 -0.064 0.000 3.044 140 T HA 0.112 4.373 4.350 -0.147 0.000 0.250 140 T C 0.593 175.253 174.700 -0.066 0.000 1.081 140 T CA 0.093 62.161 62.100 -0.053 0.000 1.040 140 T CB -0.257 68.587 68.868 -0.040 0.000 0.962 140 T HN 0.404 nan 8.240 nan 0.000 0.506 141 N N 1.092 119.730 118.700 -0.102 0.000 2.699 141 N HA 0.308 4.959 4.740 -0.147 0.000 0.271 141 N C -2.860 172.499 175.510 -0.252 0.000 1.216 141 N CA -1.698 51.271 53.050 -0.135 0.000 0.844 141 N CB 2.212 40.677 38.487 -0.038 0.000 1.462 141 N HN -0.191 nan 8.380 nan 0.000 0.555 142 P HA 0.028 nan 4.420 nan 0.000 0.217 142 P C 1.132 178.070 177.300 -0.603 0.000 1.150 142 P CA 1.072 63.687 63.100 -0.809 0.000 0.832 142 P CB 0.129 30.774 31.700 -1.759 0.000 0.787 143 F N -0.163 119.603 119.950 -0.307 0.000 2.102 143 F HA -0.103 4.335 4.527 -0.148 0.000 0.298 143 F C 2.680 178.383 175.800 -0.162 0.000 1.105 143 F CA 1.358 59.228 58.000 -0.217 0.000 1.239 143 F CB -1.605 37.300 39.000 -0.157 0.000 0.991 143 F HN -0.056 nan 8.300 nan 0.000 0.474 144 G N -0.131 108.695 108.800 0.043 0.000 2.440 144 G HA2 -0.254 3.618 3.960 -0.147 0.000 0.218 144 G HA3 -0.254 3.618 3.960 -0.147 0.000 0.218 144 G C 1.844 176.724 174.900 -0.034 0.000 1.154 144 G CA 0.964 46.064 45.100 0.000 0.000 0.767 144 G HN 0.461 nan 8.290 nan 0.000 0.552 145 A N 0.675 123.449 122.820 -0.077 0.000 1.858 145 A HA 0.066 4.298 4.320 -0.147 0.000 0.216 145 A C 2.463 180.017 177.584 -0.050 0.000 1.190 145 A CA 1.388 53.389 52.037 -0.061 0.000 0.617 145 A CB -0.486 18.469 19.000 -0.075 0.000 0.827 145 A HN 0.348 nan 8.150 nan 0.000 0.443 146 L N -0.818 120.351 121.223 -0.090 0.000 2.042 146 L HA -0.223 4.028 4.340 -0.147 0.000 0.210 146 L C 3.024 179.869 176.870 -0.041 0.000 1.076 146 L CA 1.261 56.051 54.840 -0.083 0.000 0.749 146 L CB -0.637 41.320 42.059 -0.170 0.000 0.893 146 L HN 0.459 nan 8.230 nan 0.000 0.432 147 A N -0.282 122.521 122.820 -0.028 0.000 2.121 147 A HA -0.147 4.085 4.320 -0.147 0.000 0.218 147 A C 1.403 178.978 177.584 -0.014 0.000 1.154 147 A CA 1.361 53.388 52.037 -0.017 0.000 0.679 147 A CB -0.592 18.403 19.000 -0.008 0.000 0.795 147 A HN 0.554 nan 8.150 nan 0.000 0.458 148 N N -1.061 117.631 118.700 -0.014 0.000 2.389 148 N HA 0.393 5.045 4.740 -0.147 0.000 0.260 148 N C 0.917 176.425 175.510 -0.004 0.000 1.191 148 N CA 0.246 53.291 53.050 -0.009 0.000 0.885 148 N CB 0.769 39.251 38.487 -0.008 0.000 1.162 148 N HN 0.499 nan 8.380 nan 0.000 0.512 149 G N 1.545 110.343 108.800 -0.003 0.000 2.595 149 G HA2 -0.413 3.459 3.960 -0.147 0.000 0.297 149 G HA3 -0.413 3.459 3.960 -0.147 0.000 0.297 149 G C -0.280 174.629 174.900 0.014 0.000 1.181 149 G CA 0.000 45.103 45.100 0.004 0.000 0.963 149 G HN 0.430 nan 8.290 nan 0.000 0.541 150 Q N -1.242 118.568 119.800 0.017 0.000 2.453 150 Q HA -0.140 4.112 4.340 -0.147 0.000 0.350 150 Q C 1.338 177.367 176.000 0.049 0.000 1.447 150 Q CA 0.409 56.229 55.803 0.027 0.000 0.968 150 Q CB -1.423 27.326 28.738 0.018 0.000 1.175 150 Q HN 0.905 nan 8.270 nan 0.000 0.354 151 V N 0.207 120.152 119.914 0.052 0.000 2.343 151 V HA -0.275 3.757 4.120 -0.147 0.000 0.247 151 V C 1.848 178.001 176.094 0.100 0.000 1.051 151 V CA 2.184 64.528 62.300 0.073 0.000 1.036 151 V CB -0.274 31.583 31.823 0.056 0.000 0.654 151 V HN 0.567 nan 8.190 nan 0.000 0.451 152 L N 0.341 121.617 121.223 0.087 0.000 1.994 152 L HA -0.051 4.201 4.340 -0.147 0.000 0.208 152 L C -0.110 176.852 176.870 0.152 0.000 1.071 152 L CA 2.465 57.370 54.840 0.109 0.000 0.745 152 L CB -1.691 40.416 42.059 0.080 0.000 0.892 152 L HN 0.277 nan 8.230 nan 0.000 0.431 153 P HA -0.109 nan 4.420 nan 0.000 0.218 153 P C 1.605 179.054 177.300 0.249 0.000 1.148 153 P CA 1.505 64.695 63.100 0.151 0.000 0.822 153 P CB -0.137 31.603 31.700 0.066 0.000 0.784 154 T N -0.223 114.455 114.554 0.206 0.000 2.684 154 T HA -0.142 4.119 4.350 -0.147 0.000 0.267 154 T C 1.747 176.646 174.700 0.331 0.000 1.036 154 T CA 1.097 63.362 62.100 0.275 0.000 1.148 154 T CB -0.923 68.073 68.868 0.214 0.000 0.863 154 T HN 0.055 nan 8.240 nan 0.000 0.436 155 I N 0.323 121.051 120.570 0.263 0.000 2.113 155 I HA -0.241 3.841 4.170 -0.147 0.000 0.242 155 I C 2.140 178.414 176.117 0.261 0.000 1.064 155 I CA 1.759 63.209 61.300 0.249 0.000 1.320 155 I CB -0.451 37.691 38.000 0.237 0.000 1.028 155 I HN 0.199 nan 8.210 nan 0.000 0.406 156 F N 1.239 121.291 119.950 0.171 0.000 2.069 156 F HA -0.333 4.105 4.527 -0.148 0.000 0.298 156 F C 2.330 178.215 175.800 0.141 0.000 1.113 156 F CA 1.859 59.944 58.000 0.141 0.000 1.214 156 F CB -0.589 38.486 39.000 0.126 0.000 0.978 156 F HN 0.000 nan 8.300 nan 0.000 0.474 157 F N 0.953 121.011 119.950 0.179 0.000 2.134 157 F HA -0.079 4.360 4.527 -0.148 0.000 0.299 157 F C 2.302 178.108 175.800 0.009 0.000 1.097 157 F CA 1.478 59.521 58.000 0.072 0.000 1.264 157 F CB -1.064 38.024 39.000 0.146 0.000 1.001 157 F HN 0.023 nan 8.300 nan 0.000 0.479 158 A N 0.741 123.587 122.820 0.043 0.000 1.940 158 A HA -0.173 4.059 4.320 -0.147 0.000 0.219 158 A C 2.323 179.725 177.584 -0.303 0.000 1.176 158 A CA 2.059 54.004 52.037 -0.154 0.000 0.631 158 A CB -1.223 17.756 19.000 -0.035 0.000 0.814 158 A HN 0.526 nan 8.150 nan 0.000 0.446 159 I N -0.118 120.301 120.570 -0.252 0.000 2.202 159 I HA -0.212 3.870 4.170 -0.147 0.000 0.242 159 I C 2.153 178.044 176.117 -0.377 0.000 1.091 159 I CA 0.845 61.968 61.300 -0.295 0.000 1.368 159 I CB -0.286 37.547 38.000 -0.279 0.000 1.058 159 I HN 0.232 nan 8.210 nan 0.000 0.410 160 I N 0.415 120.687 120.570 -0.497 0.000 2.208 160 I HA -0.273 3.809 4.170 -0.147 0.000 0.245 160 I C 2.552 178.408 176.117 -0.436 0.000 1.097 160 I CA 1.591 62.604 61.300 -0.478 0.000 1.363 160 I CB -1.239 36.451 38.000 -0.516 0.000 1.051 160 I HN 0.273 nan 8.210 nan 0.000 0.413 161 L N 1.534 122.403 121.223 -0.590 0.000 2.005 161 L HA -0.030 4.222 4.340 -0.147 0.000 0.207 161 L C 2.475 179.162 176.870 -0.304 0.000 1.072 161 L CA 2.308 56.847 54.840 -0.500 0.000 0.744 161 L CB -1.323 40.334 42.059 -0.670 0.000 0.895 161 L HN 0.203 nan 8.230 nan 0.000 0.433 162 G N -0.267 108.352 108.800 -0.303 0.000 2.442 162 G HA2 -0.261 3.611 3.960 -0.147 0.000 0.219 162 G HA3 -0.261 3.611 3.960 -0.147 0.000 0.219 162 G C 1.648 176.461 174.900 -0.146 0.000 1.141 162 G CA 1.270 46.242 45.100 -0.214 0.000 0.763 162 G HN 0.490 nan 8.290 nan 0.000 0.554 163 I N 1.118 121.591 120.570 -0.163 0.000 2.252 163 I HA -0.121 3.961 4.170 -0.147 0.000 0.245 163 I C 3.271 179.374 176.117 -0.024 0.000 1.102 163 I CA 0.846 62.099 61.300 -0.079 0.000 1.385 163 I CB -0.176 37.740 38.000 -0.140 0.000 1.064 163 I HN 0.246 nan 8.210 nan 0.000 0.414 164 A N 1.038 123.776 122.820 -0.136 0.000 1.940 164 A HA -0.187 4.045 4.320 -0.147 0.000 0.219 164 A C 2.269 179.849 177.584 -0.008 0.000 1.176 164 A CA 1.502 53.472 52.037 -0.113 0.000 0.631 164 A CB -0.792 18.120 19.000 -0.145 0.000 0.814 164 A HN 0.386 nan 8.150 nan 0.000 0.446 165 I N -0.956 119.595 120.570 -0.031 0.000 2.179 165 I HA -0.221 3.861 4.170 -0.147 0.000 0.242 165 I C 2.649 178.777 176.117 0.020 0.000 1.088 165 I CA 1.742 63.035 61.300 -0.012 0.000 1.357 165 I CB -0.699 37.275 38.000 -0.044 0.000 1.051 165 I HN 0.232 nan 8.210 nan 0.000 0.409 166 T N -0.062 114.509 114.554 0.029 0.000 2.684 166 T HA -0.230 4.031 4.350 -0.147 0.000 0.267 166 T C 1.794 176.513 174.700 0.032 0.000 1.036 166 T CA 1.690 63.801 62.100 0.019 0.000 1.148 166 T CB -0.377 68.492 68.868 0.002 0.000 0.863 166 T HN 0.222 nan 8.240 nan 0.000 0.436 167 Y N 1.031 121.295 120.300 -0.060 0.000 2.181 167 Y HA 0.001 4.463 4.550 -0.147 0.000 0.288 167 Y C 2.220 178.098 175.900 -0.038 0.000 1.146 167 Y CA 0.755 58.825 58.100 -0.048 0.000 1.164 167 Y CB -0.465 37.964 38.460 -0.051 0.000 0.982 167 Y HN 0.168 nan 8.280 nan 0.000 0.515 168 L N -0.941 120.356 121.223 0.124 0.000 2.141 168 L HA -0.250 4.002 4.340 -0.147 0.000 0.209 168 L C 2.100 178.986 176.870 0.026 0.000 1.094 168 L CA 1.230 56.106 54.840 0.060 0.000 0.763 168 L CB -0.413 41.669 42.059 0.038 0.000 0.908 168 L HN 0.334 nan 8.230 nan 0.000 0.437 169 M N -0.713 118.894 119.600 0.011 0.000 2.476 169 M HA -0.081 4.311 4.480 -0.147 0.000 0.262 169 M C 0.649 176.937 176.300 -0.020 0.000 1.079 169 M CA 0.936 56.231 55.300 -0.007 0.000 1.104 169 M CB -0.167 32.424 32.600 -0.016 0.000 1.409 169 M HN 0.196 nan 8.290 nan 0.000 0.467 170 N N 0.743 119.425 118.700 -0.030 0.000 2.276 170 N HA 0.143 4.794 4.740 -0.147 0.000 0.212 170 N C 0.167 175.662 175.510 -0.026 0.000 1.127 170 N CA 0.103 53.126 53.050 -0.046 0.000 0.834 170 N CB -0.052 38.379 38.487 -0.094 0.000 1.014 170 N HN 0.226 nan 8.380 nan 0.000 0.491 171 S N 0.116 115.813 115.700 -0.005 0.000 2.580 171 S HA 0.466 4.847 4.470 -0.147 0.000 0.274 171 S C 1.480 176.079 174.600 -0.001 0.000 1.329 171 S CA 0.052 58.255 58.200 0.004 0.000 1.036 171 S CB 0.337 63.547 63.200 0.016 0.000 0.919 171 S HN 0.317 nan 8.310 nan 0.000 0.515 172 E N 1.617 121.817 120.200 0.000 0.000 2.106 172 E HA -0.118 4.144 4.350 -0.147 0.000 0.192 172 E C 0.916 177.517 176.600 0.001 0.000 0.984 172 E CA 1.181 57.580 56.400 -0.001 0.000 0.806 172 E CB -0.608 29.092 29.700 -0.000 0.000 0.750 172 E HN 0.768 nan 8.360 nan 0.000 0.458 173 N N 1.270 119.973 118.700 0.004 0.000 2.427 173 N HA -0.028 4.623 4.740 -0.147 0.000 0.269 173 N C 0.373 175.886 175.510 0.005 0.000 1.235 173 N CA 0.071 53.124 53.050 0.006 0.000 0.934 173 N CB 0.976 39.468 38.487 0.009 0.000 1.121 173 N HN 0.170 nan 8.380 nan 0.000 0.480 174 E N 2.720 122.922 120.200 0.003 0.000 2.435 174 E HA -0.101 4.160 4.350 -0.147 0.000 0.195 174 E C 1.108 177.711 176.600 0.005 0.000 1.029 174 E CA 0.310 56.712 56.400 0.003 0.000 0.865 174 E CB 0.153 29.853 29.700 0.001 0.000 0.833 174 E HN 0.688 nan 8.360 nan 0.000 0.510 175 K N 1.079 121.483 120.400 0.007 0.000 2.062 175 K HA -0.079 4.153 4.320 -0.147 0.000 0.205 175 K C 2.157 178.764 176.600 0.011 0.000 1.051 175 K CA 1.191 57.483 56.287 0.009 0.000 0.941 175 K CB -0.058 32.447 32.500 0.010 0.000 0.719 175 K HN 0.054 nan 8.250 nan 0.000 0.440 176 V N 1.009 120.930 119.914 0.012 0.000 2.515 176 V HA -0.208 3.824 4.120 -0.147 0.000 0.250 176 V C 2.516 178.618 176.094 0.013 0.000 1.058 176 V CA 2.591 64.900 62.300 0.015 0.000 1.064 176 V CB -1.293 30.540 31.823 0.017 0.000 0.675 176 V HN 0.428 nan 8.190 nan 0.000 0.461 177 R N 0.245 120.750 120.500 0.009 0.000 2.075 177 R HA -0.018 4.233 4.340 -0.147 0.000 0.232 177 R C 2.555 178.859 176.300 0.005 0.000 1.126 177 R CA 2.597 58.700 56.100 0.005 0.000 0.963 177 R CB -1.393 28.908 30.300 0.000 0.000 0.858 177 R HN 0.797 nan 8.270 nan 0.000 0.435 178 K N 1.078 121.482 120.400 0.007 0.000 2.025 178 K HA -0.105 4.127 4.320 -0.147 0.000 0.207 178 K C 2.507 179.114 176.600 0.011 0.000 1.049 178 K CA 2.056 58.347 56.287 0.008 0.000 0.933 178 K CB -1.020 31.485 32.500 0.008 0.000 0.714 178 K HN 0.770 nan 8.250 nan 0.000 0.438 179 S N 0.356 116.064 115.700 0.014 0.000 2.428 179 S HA 0.158 4.539 4.470 -0.147 0.000 0.230 179 S C 2.488 177.101 174.600 0.022 0.000 1.014 179 S CA 0.940 59.151 58.200 0.020 0.000 0.957 179 S CB -0.214 62.999 63.200 0.022 0.000 0.784 179 S HN 0.726 nan 8.310 nan 0.000 0.499 180 A N 1.899 124.730 122.820 0.017 0.000 1.872 180 A HA 0.145 4.377 4.320 -0.147 0.000 0.214 180 A C 2.338 179.928 177.584 0.010 0.000 1.187 180 A CA 1.718 53.764 52.037 0.015 0.000 0.614 180 A CB -1.510 17.498 19.000 0.013 0.000 0.826 180 A HN 0.688 nan 8.150 nan 0.000 0.442 181 E N -0.528 119.676 120.200 0.007 0.000 2.153 181 E HA -0.146 4.116 4.350 -0.147 0.000 0.194 181 E C 1.964 178.569 176.600 0.008 0.000 0.988 181 E CA 1.953 58.355 56.400 0.003 0.000 0.811 181 E CB -1.612 28.088 29.700 0.000 0.000 0.746 181 E HN 0.633 nan 8.360 nan 0.000 0.466 182 T N 0.558 115.120 114.554 0.014 0.000 2.643 182 T HA -0.114 4.148 4.350 -0.147 0.000 0.264 182 T C 2.082 176.798 174.700 0.027 0.000 1.045 182 T CA 1.450 63.562 62.100 0.020 0.000 1.155 182 T CB -0.449 68.432 68.868 0.023 0.000 0.863 182 T HN 0.358 nan 8.240 nan 0.000 0.420 183 L N 1.046 122.288 121.223 0.031 0.000 2.042 183 L HA -0.040 4.211 4.340 -0.147 0.000 0.210 183 L C 2.223 179.114 176.870 0.034 0.000 1.076 183 L CA 1.551 56.417 54.840 0.044 0.000 0.749 183 L CB -0.774 41.315 42.059 0.050 0.000 0.893 183 L HN 0.182 nan 8.230 nan 0.000 0.432 184 L N -0.475 120.756 121.223 0.013 0.000 2.083 184 L HA -0.203 4.048 4.340 -0.147 0.000 0.209 184 L C 2.044 178.915 176.870 0.002 0.000 1.083 184 L CA 1.891 56.728 54.840 -0.006 0.000 0.752 184 L CB -0.914 41.133 42.059 -0.018 0.000 0.899 184 L HN 0.339 nan 8.230 nan 0.000 0.433 185 D N -0.231 120.176 120.400 0.012 0.000 2.097 185 D HA -0.130 4.422 4.640 -0.147 0.000 0.197 185 D C 2.204 178.521 176.300 0.030 0.000 0.984 185 D CA 1.565 55.575 54.000 0.017 0.000 0.826 185 D CB -0.196 40.614 40.800 0.017 0.000 0.973 185 D HN 0.471 nan 8.370 nan 0.000 0.460 186 A N 0.722 123.565 122.820 0.038 0.000 1.940 186 A HA -0.151 4.081 4.320 -0.147 0.000 0.219 186 A C 2.392 180.016 177.584 0.066 0.000 1.176 186 A CA 0.948 53.017 52.037 0.052 0.000 0.631 186 A CB -0.732 18.303 19.000 0.059 0.000 0.814 186 A HN 0.216 nan 8.150 nan 0.000 0.446 187 I N -0.339 120.269 120.570 0.064 0.000 2.226 187 I HA -0.249 3.832 4.170 -0.147 0.000 0.245 187 I C 2.413 178.557 176.117 0.044 0.000 1.100 187 I CA 1.630 62.970 61.300 0.067 0.000 1.374 187 I CB -0.367 37.645 38.000 0.020 0.000 1.057 187 I HN 0.404 nan 8.210 nan 0.000 0.413 188 N N 1.159 119.876 118.700 0.028 0.000 2.188 188 N HA -0.121 4.531 4.740 -0.147 0.000 0.184 188 N C 1.895 177.442 175.510 0.062 0.000 1.018 188 N CA 1.593 54.665 53.050 0.036 0.000 0.858 188 N CB -0.389 38.110 38.487 0.020 0.000 0.989 188 N HN 0.284 nan 8.380 nan 0.000 0.426 189 G N 0.861 109.695 108.800 0.057 0.000 2.491 189 G HA2 -0.257 3.615 3.960 -0.147 0.000 0.218 189 G HA3 -0.257 3.615 3.960 -0.147 0.000 0.218 189 G C 1.491 176.435 174.900 0.074 0.000 1.180 189 G CA 1.106 46.243 45.100 0.062 0.000 0.774 189 G HN 0.382 nan 8.290 nan 0.000 0.562 190 L N 1.329 122.599 121.223 0.077 0.000 1.994 190 L HA 0.102 4.354 4.340 -0.147 0.000 0.208 190 L C 3.139 180.060 176.870 0.084 0.000 1.071 190 L CA 2.416 57.304 54.840 0.081 0.000 0.745 190 L CB -0.772 41.347 42.059 0.101 0.000 0.892 190 L HN 0.251 nan 8.230 nan 0.000 0.431 191 A N -0.775 122.101 122.820 0.095 0.000 1.892 191 A HA -0.305 3.927 4.320 -0.147 0.000 0.218 191 A C 2.260 179.978 177.584 0.222 0.000 1.188 191 A CA 2.078 54.185 52.037 0.117 0.000 0.631 191 A CB -0.861 18.219 19.000 0.133 0.000 0.822 191 A HN 0.570 nan 8.150 nan 0.000 0.447 192 E N -0.287 120.047 120.200 0.225 0.000 2.106 192 E HA -0.002 4.260 4.350 -0.147 0.000 0.192 192 E C 2.088 178.815 176.600 0.212 0.000 0.984 192 E CA 1.299 57.857 56.400 0.263 0.000 0.806 192 E CB -0.415 29.369 29.700 0.141 0.000 0.750 192 E HN 0.515 nan 8.360 nan 0.000 0.458 193 A N 0.202 123.098 122.820 0.128 0.000 1.902 193 A HA -0.182 4.050 4.320 -0.147 0.000 0.217 193 A C 2.009 179.635 177.584 0.070 0.000 1.181 193 A CA 1.742 53.832 52.037 0.089 0.000 0.623 193 A CB -0.425 18.612 19.000 0.063 0.000 0.818 193 A HN 0.219 nan 8.150 nan 0.000 0.443 194 M N -1.480 118.136 119.600 0.027 0.000 2.159 194 M HA -0.099 4.293 4.480 -0.147 0.000 0.263 194 M C 1.976 178.230 176.300 -0.077 0.000 1.063 194 M CA 1.114 56.377 55.300 -0.061 0.000 1.110 194 M CB -1.706 30.803 32.600 -0.152 0.000 1.374 194 M HN 0.573 nan 8.290 nan 0.000 0.411 195 Y N 0.976 121.307 120.300 0.050 0.000 2.224 195 Y HA -0.233 4.228 4.550 -0.147 0.000 0.289 195 Y C 2.810 178.732 175.900 0.037 0.000 1.146 195 Y CA 2.192 60.320 58.100 0.046 0.000 1.182 195 Y CB -0.819 37.672 38.460 0.052 0.000 0.983 195 Y HN 0.395 nan 8.280 nan 0.000 0.524 196 K N 0.791 121.303 120.400 0.187 0.000 2.097 196 K HA -0.106 4.125 4.320 -0.147 0.000 0.206 196 K C 1.663 178.315 176.600 0.086 0.000 1.049 196 K CA 1.867 58.224 56.287 0.117 0.000 0.933 196 K CB -1.300 31.255 32.500 0.092 0.000 0.717 196 K HN 0.478 nan 8.250 nan 0.000 0.442 197 I N 0.435 121.046 120.570 0.068 0.000 2.252 197 I HA -0.170 3.911 4.170 -0.147 0.000 0.245 197 I C 2.524 178.674 176.117 0.055 0.000 1.102 197 I CA 1.163 62.492 61.300 0.048 0.000 1.385 197 I CB -0.169 37.846 38.000 0.024 0.000 1.064 197 I HN 0.228 nan 8.210 nan 0.000 0.414 198 V N 1.482 121.429 119.914 0.054 0.000 2.490 198 V HA -0.257 3.775 4.120 -0.147 0.000 0.250 198 V C 2.192 178.339 176.094 0.089 0.000 1.061 198 V CA 2.113 64.453 62.300 0.065 0.000 1.064 198 V CB -0.649 31.205 31.823 0.051 0.000 0.670 198 V HN 0.430 nan 8.190 nan 0.000 0.461 199 N N 1.281 120.034 118.700 0.089 0.000 2.104 199 N HA -0.116 4.536 4.740 -0.147 0.000 0.190 199 N C 1.809 177.363 175.510 0.074 0.000 1.024 199 N CA 1.925 55.021 53.050 0.077 0.000 0.853 199 N CB -0.934 37.596 38.487 0.071 0.000 1.008 199 N HN 0.645 nan 8.380 nan 0.000 0.424 200 G N 0.959 109.804 108.800 0.075 0.000 2.414 200 G HA2 -0.120 3.752 3.960 -0.147 0.000 0.215 200 G HA3 -0.120 3.752 3.960 -0.147 0.000 0.215 200 G C 1.733 176.693 174.900 0.100 0.000 1.188 200 G CA 1.202 46.347 45.100 0.076 0.000 0.783 200 G HN 0.357 nan 8.290 nan 0.000 0.537 201 V N 0.650 120.635 119.914 0.117 0.000 2.867 201 V HA 0.039 4.071 4.120 -0.147 0.000 0.260 201 V C 2.496 178.763 176.094 0.287 0.000 1.099 201 V CA 2.120 64.533 62.300 0.190 0.000 1.122 201 V CB -0.336 31.578 31.823 0.150 0.000 0.708 201 V HN 0.253 nan 8.190 nan 0.000 0.490 202 M N -1.319 118.397 119.600 0.195 0.000 2.492 202 M HA -0.014 4.377 4.480 -0.147 0.000 0.262 202 M C 2.063 178.393 176.300 0.049 0.000 1.090 202 M CA 1.052 56.449 55.300 0.161 0.000 1.110 202 M CB 0.007 32.671 32.600 0.107 0.000 1.407 202 M HN 0.657 nan 8.290 nan 0.000 0.470 203 Q N -0.879 118.947 119.800 0.044 0.000 2.230 203 Q HA -0.134 4.117 4.340 -0.147 0.000 0.202 203 Q C 1.626 177.589 176.000 -0.062 0.000 0.963 203 Q CA 1.305 57.073 55.803 -0.058 0.000 0.866 203 Q CB -0.302 28.416 28.738 -0.033 0.000 0.931 203 Q HN 0.531 nan 8.270 nan 0.000 0.452 204 Y N -0.470 119.783 120.300 -0.078 0.000 2.519 204 Y HA 0.165 4.626 4.550 -0.148 0.000 0.287 204 Y C 1.760 177.490 175.900 -0.283 0.000 1.128 204 Y CA 0.530 58.569 58.100 -0.103 0.000 1.282 204 Y CB -0.344 38.139 38.460 0.038 0.000 1.027 204 Y HN 0.127 nan 8.280 nan 0.000 0.551 205 A N 1.776 124.355 122.820 -0.402 0.000 1.915 205 A HA -0.256 3.976 4.320 -0.147 0.000 0.220 205 A C 0.029 177.179 177.584 -0.723 0.000 1.198 205 A CA 2.183 53.700 52.037 -0.868 0.000 0.647 205 A CB -2.090 16.687 19.000 -0.371 0.000 0.825 205 A HN 0.441 nan 8.150 nan 0.000 0.456 206 P HA -0.182 nan 4.420 nan 0.000 0.214 206 P C 1.376 178.458 177.300 -0.364 0.000 1.163 206 P CA 1.487 64.383 63.100 -0.341 0.000 0.889 206 P CB -0.258 31.272 31.700 -0.283 0.000 0.790 207 I N 0.194 120.437 120.570 -0.545 0.000 2.179 207 I HA -0.150 3.932 4.170 -0.147 0.000 0.242 207 I C 2.840 178.689 176.117 -0.445 0.000 1.088 207 I CA 2.108 63.090 61.300 -0.529 0.000 1.357 207 I CB -1.620 35.924 38.000 -0.759 0.000 1.051 207 I HN -0.024 nan 8.210 nan 0.000 0.409 208 G N 0.220 108.535 108.800 -0.809 0.000 2.446 208 G HA2 -0.196 3.676 3.960 -0.147 0.000 0.217 208 G HA3 -0.196 3.676 3.960 -0.147 0.000 0.217 208 G C 1.750 176.519 174.900 -0.217 0.000 1.168 208 G CA 1.183 46.013 45.100 -0.450 0.000 0.771 208 G HN 0.265 nan 8.290 nan 0.000 0.551 209 V N 0.607 120.318 119.914 -0.339 0.000 2.220 209 V HA -0.165 3.866 4.120 -0.147 0.000 0.246 209 V C 2.307 178.409 176.094 0.014 0.000 1.049 209 V CA 2.063 64.309 62.300 -0.089 0.000 1.003 209 V CB -0.851 30.918 31.823 -0.090 0.000 0.634 209 V HN 0.400 nan 8.190 nan 0.000 0.444 210 F N 1.538 121.415 119.950 -0.122 0.000 2.063 210 F HA -0.367 4.079 4.527 -0.135 0.000 0.297 210 F C 2.238 178.041 175.800 0.005 0.000 1.099 210 F CA 2.418 60.380 58.000 -0.063 0.000 1.220 210 F CB -0.569 38.368 39.000 -0.106 0.000 0.972 210 F HN 0.090 nan 8.300 nan 0.000 0.487 211 A N 0.187 123.054 122.820 0.079 0.000 1.969 211 A HA -0.065 4.166 4.320 -0.147 0.000 0.218 211 A C 2.279 179.881 177.584 0.031 0.000 1.169 211 A CA 1.555 53.629 52.037 0.061 0.000 0.635 211 A CB -0.973 18.191 19.000 0.273 0.000 0.810 211 A HN 0.556 nan 8.150 nan 0.000 0.445 212 L N -0.740 120.521 121.223 0.063 0.000 2.131 212 L HA -0.102 4.149 4.340 -0.147 0.000 0.206 212 L C 2.168 179.086 176.870 0.081 0.000 1.087 212 L CA 1.023 55.928 54.840 0.108 0.000 0.767 212 L CB -0.390 41.758 42.059 0.149 0.000 0.917 212 L HN 0.456 nan 8.230 nan 0.000 0.441 213 I N -1.094 119.486 120.570 0.018 0.000 2.716 213 I HA -0.021 4.060 4.170 -0.147 0.000 0.259 213 I C 2.680 178.762 176.117 -0.058 0.000 1.172 213 I CA 0.975 62.277 61.300 0.003 0.000 1.478 213 I CB -0.872 37.148 38.000 0.034 0.000 1.104 213 I HN -0.000 nan 8.210 nan 0.000 0.439 214 A N 0.789 123.508 122.820 -0.169 0.000 1.917 214 A HA -0.271 3.961 4.320 -0.147 0.000 0.219 214 A C 2.394 179.989 177.584 0.019 0.000 1.182 214 A CA 1.975 53.892 52.037 -0.200 0.000 0.633 214 A CB -1.110 17.639 19.000 -0.419 0.000 0.819 214 A HN 0.525 nan 8.150 nan 0.000 0.448 215 Y N 0.702 120.970 120.300 -0.053 0.000 2.084 215 Y HA -0.162 4.341 4.550 -0.079 0.000 0.279 215 Y C 2.523 178.436 175.900 0.021 0.000 1.119 215 Y CA 1.717 59.822 58.100 0.009 0.000 1.101 215 Y CB -0.858 37.611 38.460 0.015 0.000 0.989 215 Y HN 0.054 nan 8.280 nan 0.000 0.484 216 V N 0.208 120.038 119.914 -0.139 0.000 2.282 216 V HA -0.401 3.630 4.120 -0.147 0.000 0.249 216 V C 2.443 178.438 176.094 -0.164 0.000 1.057 216 V CA 2.419 64.581 62.300 -0.231 0.000 1.032 216 V CB -0.867 30.894 31.823 -0.104 0.000 0.645 216 V HN 0.395 nan 8.190 nan 0.000 0.447 217 M N 0.335 119.888 119.600 -0.079 0.000 2.117 217 M HA -0.011 4.380 4.480 -0.147 0.000 0.262 217 M C 1.906 178.194 176.300 -0.020 0.000 1.065 217 M CA 1.866 57.144 55.300 -0.038 0.000 1.114 217 M CB -0.956 31.634 32.600 -0.017 0.000 1.361 217 M HN 0.323 nan 8.290 nan 0.000 0.408 218 A N -1.450 121.359 122.820 -0.019 0.000 2.291 218 A HA 0.035 4.267 4.320 -0.147 0.000 0.220 218 A C 1.858 179.450 177.584 0.013 0.000 1.262 218 A CA 0.777 52.839 52.037 0.041 0.000 0.867 218 A CB -0.367 18.696 19.000 0.104 0.000 0.888 218 A HN 0.480 nan 8.150 nan 0.000 0.487 219 E N -1.709 118.443 120.200 -0.080 0.000 3.590 219 E HA 0.037 4.298 4.350 -0.147 0.000 0.223 219 E C 1.330 177.921 176.600 -0.015 0.000 1.195 219 E CA 0.371 56.702 56.400 -0.114 0.000 1.670 219 E CB 0.180 29.589 29.700 -0.486 0.000 1.578 219 E HN 0.672 nan 8.360 nan 0.000 0.763 220 Q N -0.297 119.456 119.800 -0.078 0.000 2.350 220 Q HA 0.209 4.461 4.340 -0.147 0.000 0.225 220 Q C 1.760 177.791 176.000 0.051 0.000 0.878 220 Q CA 0.528 56.320 55.803 -0.018 0.000 0.935 220 Q CB 0.947 29.621 28.738 -0.106 0.000 1.099 220 Q HN 0.169 nan 8.270 nan 0.000 0.527 221 G N 1.681 110.489 108.800 0.013 0.000 2.421 221 G HA2 -0.199 3.673 3.960 -0.147 0.000 0.216 221 G HA3 -0.199 3.673 3.960 -0.147 0.000 0.216 221 G C 1.285 176.209 174.900 0.040 0.000 1.171 221 G CA 1.022 46.132 45.100 0.017 0.000 0.775 221 G HN 0.359 nan 8.290 nan 0.000 0.543 222 V N 0.084 120.025 119.914 0.044 0.000 3.297 222 V HA 0.291 4.322 4.120 -0.147 0.000 0.357 222 V C 1.092 177.066 176.094 -0.200 0.000 1.238 222 V CA 0.893 63.178 62.300 -0.024 0.000 1.454 222 V CB -0.940 30.870 31.823 -0.022 0.000 1.159 222 V HN 0.527 nan 8.190 nan 0.000 0.435 223 H N -0.649 118.416 119.070 -0.009 0.000 3.943 223 H HA 0.141 4.638 4.556 -0.097 0.000 0.265 223 H C 0.249 175.569 175.328 -0.013 0.000 1.133 223 H CA 0.373 56.411 56.048 -0.016 0.000 1.188 223 H CB 1.428 31.171 29.762 -0.031 0.000 1.486 223 H HN 0.358 nan 8.280 nan 0.000 0.795 224 V N 3.042 123.004 119.914 0.081 0.000 2.054 224 V HA 0.316 4.348 4.120 -0.147 0.000 0.243 224 V C 0.619 176.732 176.094 0.032 0.000 1.480 224 V CA 0.185 62.510 62.300 0.041 0.000 1.440 224 V CB -0.411 31.422 31.823 0.015 0.000 1.489 224 V HN 0.235 nan 8.190 nan 0.000 0.502 225 V N 2.066 122.005 119.914 0.042 0.000 2.925 225 V HA 0.978 5.010 4.120 -0.147 0.000 0.311 225 V C 0.696 176.822 176.094 0.053 0.000 1.104 225 V CA -0.125 62.197 62.300 0.037 0.000 0.954 225 V CB 1.650 33.485 31.823 0.021 0.000 1.022 225 V HN 0.843 nan 8.190 nan 0.000 0.427 226 G N 2.020 110.853 108.800 0.055 0.000 2.556 226 G HA2 -0.222 3.650 3.960 -0.147 0.000 0.283 226 G HA3 -0.222 3.650 3.960 -0.147 0.000 0.283 226 G C 0.744 175.702 174.900 0.096 0.000 1.177 226 G CA 0.669 45.810 45.100 0.070 0.000 0.978 226 G HN 1.171 nan 8.290 nan 0.000 0.554 227 E N 0.405 120.679 120.200 0.123 0.000 2.204 227 E HA -0.009 4.253 4.350 -0.147 0.000 0.195 227 E C 2.826 179.546 176.600 0.200 0.000 0.990 227 E CA 1.141 57.654 56.400 0.188 0.000 0.821 227 E CB -0.130 29.709 29.700 0.230 0.000 0.750 227 E HN 0.516 nan 8.360 nan 0.000 0.477 228 L N 0.026 121.323 121.223 0.123 0.000 2.156 228 L HA -0.095 4.157 4.340 -0.147 0.000 0.208 228 L C 2.455 179.336 176.870 0.019 0.000 1.095 228 L CA 0.824 55.681 54.840 0.028 0.000 0.770 228 L CB -0.379 41.688 42.059 0.013 0.000 0.914 228 L HN 0.043 nan 8.230 nan 0.000 0.439 229 A N 0.026 122.874 122.820 0.046 0.000 1.930 229 A HA -0.190 4.042 4.320 -0.147 0.000 0.217 229 A C 2.324 179.932 177.584 0.039 0.000 1.175 229 A CA 1.373 53.431 52.037 0.035 0.000 0.627 229 A CB -0.252 18.774 19.000 0.044 0.000 0.815 229 A HN 0.258 nan 8.150 nan 0.000 0.443 230 K N -0.724 119.726 120.400 0.084 0.000 2.097 230 K HA -0.070 4.162 4.320 -0.147 0.000 0.206 230 K C 1.870 178.481 176.600 0.019 0.000 1.049 230 K CA 1.323 57.680 56.287 0.116 0.000 0.933 230 K CB -0.326 32.291 32.500 0.194 0.000 0.717 230 K HN 0.281 nan 8.250 nan 0.000 0.442 231 V N 1.029 120.964 119.914 0.034 0.000 2.453 231 V HA -0.209 3.823 4.120 -0.147 0.000 0.247 231 V C 1.744 177.785 176.094 -0.088 0.000 1.048 231 V CA 2.022 64.304 62.300 -0.031 0.000 1.049 231 V CB -0.223 31.530 31.823 -0.116 0.000 0.672 231 V HN 0.411 nan 8.190 nan 0.000 0.457 232 T N 0.535 115.063 114.554 -0.044 0.000 2.708 232 T HA -0.133 4.128 4.350 -0.147 0.000 0.266 232 T C 2.021 176.735 174.700 0.023 0.000 1.037 232 T CA 1.558 63.682 62.100 0.041 0.000 1.146 232 T CB -0.568 68.327 68.868 0.045 0.000 0.865 232 T HN 0.617 nan 8.240 nan 0.000 0.435 233 A N 1.779 124.529 122.820 -0.116 0.000 1.865 233 A HA 0.047 4.278 4.320 -0.147 0.000 0.217 233 A C 2.698 179.948 177.584 -0.556 0.000 1.191 233 A CA 2.097 53.990 52.037 -0.240 0.000 0.623 233 A CB -1.299 17.579 19.000 -0.203 0.000 0.826 233 A HN 0.526 nan 8.150 nan 0.000 0.444 234 A N -0.699 121.579 122.820 -0.904 0.000 1.908 234 A HA -0.006 4.226 4.320 -0.147 0.000 0.218 234 A C 2.256 179.653 177.584 -0.312 0.000 1.181 234 A CA 1.918 53.426 52.037 -0.883 0.000 0.627 234 A CB -0.968 17.688 19.000 -0.574 0.000 0.818 234 A HN 0.419 nan 8.150 nan 0.000 0.445 235 V N -1.703 118.110 119.914 -0.169 0.000 2.237 235 V HA -0.288 3.744 4.120 -0.147 0.000 0.245 235 V C 2.344 178.384 176.094 -0.089 0.000 1.046 235 V CA 2.110 64.355 62.300 -0.092 0.000 1.007 235 V CB -1.151 30.643 31.823 -0.048 0.000 0.638 235 V HN 0.636 nan 8.190 nan 0.000 0.445 236 Y N -0.454 119.807 120.300 -0.065 0.000 2.224 236 Y HA -0.181 4.271 4.550 -0.162 0.000 0.289 236 Y C 2.566 178.458 175.900 -0.013 0.000 1.146 236 Y CA 1.878 59.970 58.100 -0.014 0.000 1.182 236 Y CB -0.391 38.070 38.460 0.001 0.000 0.983 236 Y HN 0.045 nan 8.280 nan 0.000 0.524 237 V N -0.517 119.456 119.914 0.098 0.000 2.626 237 V HA -0.177 3.854 4.120 -0.147 0.000 0.252 237 V C 2.178 178.304 176.094 0.053 0.000 1.067 237 V CA 2.070 64.422 62.300 0.086 0.000 1.081 237 V CB -0.870 31.034 31.823 0.135 0.000 0.686 237 V HN 0.520 nan 8.190 nan 0.000 0.468 238 G N -0.419 108.387 108.800 0.010 0.000 2.394 238 G HA2 -0.171 3.701 3.960 -0.147 0.000 0.215 238 G HA3 -0.171 3.701 3.960 -0.147 0.000 0.215 238 G C 1.488 176.380 174.900 -0.014 0.000 1.165 238 G CA 0.978 46.077 45.100 -0.002 0.000 0.784 238 G HN 0.519 nan 8.290 nan 0.000 0.535 239 L N 0.541 121.744 121.223 -0.033 0.000 2.083 239 L HA -0.064 4.188 4.340 -0.147 0.000 0.209 239 L C 3.139 180.011 176.870 0.004 0.000 1.083 239 L CA 1.400 56.220 54.840 -0.033 0.000 0.752 239 L CB -0.777 41.217 42.059 -0.109 0.000 0.899 239 L HN 0.140 nan 8.230 nan 0.000 0.433 240 T N 0.146 114.714 114.554 0.024 0.000 2.708 240 T HA -0.161 4.101 4.350 -0.147 0.000 0.266 240 T C 1.798 176.478 174.700 -0.034 0.000 1.037 240 T CA 1.244 63.350 62.100 0.011 0.000 1.146 240 T CB -0.212 68.677 68.868 0.035 0.000 0.865 240 T HN 0.066 nan 8.240 nan 0.000 0.435 241 L N 1.006 122.218 121.223 -0.018 0.000 2.465 241 L HA 0.046 4.298 4.340 -0.147 0.000 0.224 241 L C 2.446 179.276 176.870 -0.067 0.000 1.145 241 L CA 1.063 55.886 54.840 -0.028 0.000 0.834 241 L CB -0.494 41.574 42.059 0.015 0.000 0.944 241 L HN 0.198 nan 8.230 nan 0.000 0.451 242 Q N -0.086 119.655 119.800 -0.099 0.000 2.062 242 Q HA -0.115 4.137 4.340 -0.147 0.000 0.196 242 Q C 2.161 177.910 176.000 -0.418 0.000 0.967 242 Q CA 1.670 57.329 55.803 -0.240 0.000 0.832 242 Q CB -0.116 28.501 28.738 -0.201 0.000 0.899 242 Q HN 0.490 nan 8.270 nan 0.000 0.442 243 I N 0.041 120.495 120.570 -0.193 0.000 2.142 243 I HA -0.293 3.789 4.170 -0.147 0.000 0.240 243 I C 2.096 178.170 176.117 -0.072 0.000 1.078 243 I CA 1.148 62.450 61.300 0.002 0.000 1.343 243 I CB -0.303 37.759 38.000 0.103 0.000 1.046 243 I HN 0.253 nan 8.210 nan 0.000 0.405 244 L N -0.288 120.820 121.223 -0.192 0.000 2.005 244 L HA -0.188 4.064 4.340 -0.147 0.000 0.207 244 L C 2.482 179.321 176.870 -0.052 0.000 1.072 244 L CA 1.031 55.754 54.840 -0.196 0.000 0.744 244 L CB -0.610 41.331 42.059 -0.197 0.000 0.895 244 L HN 0.282 nan 8.230 nan 0.000 0.433 245 L N -0.619 120.553 121.223 -0.085 0.000 2.156 245 L HA -0.083 4.168 4.340 -0.147 0.000 0.208 245 L C 2.171 178.934 176.870 -0.177 0.000 1.095 245 L CA 1.208 56.000 54.840 -0.080 0.000 0.770 245 L CB -0.214 41.824 42.059 -0.036 0.000 0.914 245 L HN 0.145 nan 8.230 nan 0.000 0.439 246 V N -2.208 117.537 119.914 -0.282 0.000 2.599 246 V HA -0.130 3.902 4.120 -0.147 0.000 0.237 246 V C 2.083 178.101 176.094 -0.127 0.000 1.081 246 V CA 0.518 62.583 62.300 -0.390 0.000 1.107 246 V CB -0.558 30.880 31.823 -0.642 0.000 0.808 246 V HN 0.176 nan 8.190 nan 0.000 0.486 247 Y N -0.682 119.636 120.300 0.031 0.000 2.114 247 Y HA -0.141 4.320 4.550 -0.149 0.000 0.284 247 Y C 2.464 178.426 175.900 0.103 0.000 1.119 247 Y CA 1.708 59.851 58.100 0.071 0.000 1.108 247 Y CB -0.508 38.032 38.460 0.133 0.000 0.995 247 Y HN 0.078 nan 8.280 nan 0.000 0.491 248 F N -0.377 119.631 119.950 0.097 0.000 2.192 248 F HA -0.284 4.155 4.527 -0.146 0.000 0.301 248 F C 2.238 178.045 175.800 0.013 0.000 1.079 248 F CA 0.835 58.858 58.000 0.038 0.000 1.303 248 F CB -0.365 38.664 39.000 0.049 0.000 1.024 248 F HN -0.109 nan 8.300 nan 0.000 0.494 249 V N -0.543 119.479 119.914 0.181 0.000 2.283 249 V HA -0.270 3.762 4.120 -0.147 0.000 0.243 249 V C 2.109 178.247 176.094 0.074 0.000 1.039 249 V CA 1.376 63.729 62.300 0.088 0.000 1.016 249 V CB -0.507 31.335 31.823 0.033 0.000 0.650 249 V HN 0.184 nan 8.190 nan 0.000 0.449 250 L N -0.643 120.631 121.223 0.085 0.000 2.131 250 L HA -0.093 4.159 4.340 -0.147 0.000 0.210 250 L C 2.102 179.058 176.870 0.142 0.000 1.092 250 L CA 1.708 56.631 54.840 0.137 0.000 0.759 250 L CB -0.556 41.590 42.059 0.146 0.000 0.903 250 L HN 0.224 nan 8.230 nan 0.000 0.435 251 L N -1.305 119.927 121.223 0.014 0.000 2.072 251 L HA -0.209 4.043 4.340 -0.147 0.000 0.205 251 L C 2.521 179.380 176.870 -0.018 0.000 1.079 251 L CA 1.064 55.853 54.840 -0.084 0.000 0.752 251 L CB -0.432 41.448 42.059 -0.299 0.000 0.906 251 L HN 0.162 nan 8.230 nan 0.000 0.436 252 K N 0.934 121.324 120.400 -0.017 0.000 2.026 252 K HA -0.203 4.029 4.320 -0.147 0.000 0.208 252 K C 2.021 178.627 176.600 0.010 0.000 1.048 252 K CA 1.488 57.768 56.287 -0.012 0.000 0.929 252 K CB -0.302 32.200 32.500 0.003 0.000 0.713 252 K HN 0.329 nan 8.250 nan 0.000 0.439 253 I N -0.958 119.633 120.570 0.035 0.000 2.454 253 I HA -0.228 3.854 4.170 -0.147 0.000 0.254 253 I C 0.857 176.915 176.117 -0.099 0.000 1.156 253 I CA 1.501 62.788 61.300 -0.023 0.000 1.433 253 I CB -0.028 37.957 38.000 -0.026 0.000 1.082 253 I HN 0.181 nan 8.210 nan 0.000 0.432 254 Y N 1.829 122.107 120.300 -0.036 0.000 2.471 254 Y HA 0.296 4.758 4.550 -0.147 0.000 0.286 254 Y C 1.851 177.723 175.900 -0.048 0.000 1.188 254 Y CA 0.616 58.692 58.100 -0.040 0.000 1.286 254 Y CB 0.245 38.676 38.460 -0.048 0.000 1.072 254 Y HN 0.441 nan 8.280 nan 0.000 0.517 255 G N 0.985 109.810 108.800 0.042 0.000 2.179 255 G HA2 -0.353 3.519 3.960 -0.147 0.000 0.260 255 G HA3 -0.353 3.519 3.960 -0.147 0.000 0.260 255 G C 0.260 175.158 174.900 -0.002 0.000 0.977 255 G CA 0.262 45.365 45.100 0.005 0.000 0.641 255 G HN 0.358 nan 8.290 nan 0.000 0.533 256 I N 1.125 121.693 120.570 -0.003 0.000 2.441 256 I HA 0.571 4.653 4.170 -0.147 0.000 0.287 256 I C 0.170 176.245 176.117 -0.071 0.000 1.049 256 I CA -1.119 60.160 61.300 -0.036 0.000 1.381 256 I CB 0.961 38.934 38.000 -0.045 0.000 1.409 256 I HN 0.084 nan 8.210 nan 0.000 0.523 257 D N 9.232 129.596 120.400 -0.060 0.000 2.363 257 D HA 0.150 4.702 4.640 -0.147 0.000 0.263 257 D C -1.830 174.400 176.300 -0.116 0.000 1.258 257 D CA -1.853 52.100 54.000 -0.077 0.000 0.907 257 D CB 1.266 42.036 40.800 -0.049 0.000 1.107 257 D HN 0.370 nan 8.370 nan 0.000 0.495 258 P HA -0.067 nan 4.420 nan 0.000 0.218 258 P C 1.253 178.325 177.300 -0.381 0.000 1.149 258 P CA 0.931 63.728 63.100 -0.505 0.000 0.817 258 P CB 0.203 31.356 31.700 -0.912 0.000 0.785 259 I N -1.411 119.038 120.570 -0.202 0.000 2.716 259 I HA -0.092 3.990 4.170 -0.147 0.000 0.259 259 I C 2.580 178.715 176.117 0.030 0.000 1.172 259 I CA 1.508 62.788 61.300 -0.035 0.000 1.478 259 I CB -1.046 36.967 38.000 0.022 0.000 1.104 259 I HN -0.100 nan 8.210 nan 0.000 0.439 260 S N 0.656 116.362 115.700 0.010 0.000 2.461 260 S HA -0.131 4.250 4.470 -0.147 0.000 0.228 260 S C 1.938 176.544 174.600 0.011 0.000 1.005 260 S CA 0.751 58.965 58.200 0.023 0.000 0.942 260 S CB -0.546 62.634 63.200 -0.034 0.000 0.776 260 S HN 0.365 nan 8.310 nan 0.000 0.514 261 F N 1.888 121.759 119.950 -0.133 0.000 2.113 261 F HA -0.030 4.408 4.527 -0.149 0.000 0.297 261 F C 1.838 177.631 175.800 -0.011 0.000 1.103 261 F CA 1.048 58.977 58.000 -0.119 0.000 1.248 261 F CB 0.021 38.925 39.000 -0.159 0.000 0.999 261 F HN 0.148 nan 8.300 nan 0.000 0.475 262 I N 1.432 122.085 120.570 0.139 0.000 2.315 262 I HA -0.225 3.857 4.170 -0.147 0.000 0.248 262 I C 2.720 178.864 176.117 0.044 0.000 1.117 262 I CA 1.661 63.031 61.300 0.116 0.000 1.404 262 I CB -2.099 36.059 38.000 0.263 0.000 1.071 262 I HN 0.225 nan 8.210 nan 0.000 0.419 263 K N 0.289 120.737 120.400 0.080 0.000 2.074 263 K HA -0.213 4.018 4.320 -0.147 0.000 0.209 263 K C 1.988 178.616 176.600 0.047 0.000 1.048 263 K CA 1.849 58.184 56.287 0.080 0.000 0.926 263 K CB -1.480 31.098 32.500 0.130 0.000 0.713 263 K HN 0.559 nan 8.250 nan 0.000 0.444 264 H N -1.354 117.634 119.070 -0.137 0.000 2.415 264 H HA 0.238 4.706 4.556 -0.148 0.000 0.297 264 H C 2.376 177.573 175.328 -0.220 0.000 1.048 264 H CA 0.689 56.633 56.048 -0.173 0.000 1.365 264 H CB 0.336 29.976 29.762 -0.204 0.000 1.421 264 H HN 0.551 nan 8.280 nan 0.000 0.533 265 A N 1.401 124.106 122.820 -0.192 0.000 2.238 265 A HA 0.001 4.233 4.320 -0.147 0.000 0.208 265 A C 2.430 179.957 177.584 -0.095 0.000 1.177 265 A CA 0.977 52.873 52.037 -0.235 0.000 0.804 265 A CB -0.505 18.228 19.000 -0.444 0.000 0.823 265 A HN 0.448 nan 8.150 nan 0.000 0.482 266 K N 0.742 121.109 120.400 -0.056 0.000 2.059 266 K HA -0.287 3.945 4.320 -0.147 0.000 0.212 266 K C 1.459 178.054 176.600 -0.009 0.000 1.050 266 K CA 2.357 58.632 56.287 -0.020 0.000 0.927 266 K CB -1.259 31.229 32.500 -0.020 0.000 0.714 266 K HN 0.630 nan 8.250 nan 0.000 0.447 267 D N -0.310 120.080 120.400 -0.017 0.000 2.097 267 D HA 0.065 4.617 4.640 -0.147 0.000 0.197 267 D C 2.289 178.612 176.300 0.039 0.000 0.984 267 D CA 1.589 55.596 54.000 0.011 0.000 0.826 267 D CB -0.197 40.605 40.800 0.003 0.000 0.973 267 D HN 0.518 nan 8.370 nan 0.000 0.460 268 A N 0.292 123.121 122.820 0.015 0.000 1.898 268 A HA -0.141 4.091 4.320 -0.147 0.000 0.216 268 A C 2.166 179.782 177.584 0.055 0.000 1.181 268 A CA 1.192 53.246 52.037 0.029 0.000 0.620 268 A CB -0.612 18.384 19.000 -0.006 0.000 0.819 268 A HN 0.116 nan 8.150 nan 0.000 0.442 269 M N -0.757 118.869 119.600 0.044 0.000 2.080 269 M HA -0.124 4.268 4.480 -0.147 0.000 0.260 269 M C 2.011 178.382 176.300 0.118 0.000 1.068 269 M CA 1.268 56.615 55.300 0.078 0.000 1.109 269 M CB -0.246 32.390 32.600 0.060 0.000 1.342 269 M HN 0.304 nan 8.290 nan 0.000 0.405 270 L N -0.493 120.783 121.223 0.089 0.000 2.056 270 L HA -0.175 4.076 4.340 -0.147 0.000 0.207 270 L C 2.401 179.390 176.870 0.198 0.000 1.078 270 L CA 1.900 56.807 54.840 0.112 0.000 0.749 270 L CB -1.668 40.423 42.059 0.054 0.000 0.901 270 L HN 0.348 nan 8.230 nan 0.000 0.433 271 T N 0.301 114.964 114.554 0.183 0.000 2.652 271 T HA -0.194 4.068 4.350 -0.147 0.000 0.267 271 T C 1.978 176.792 174.700 0.189 0.000 1.039 271 T CA 1.551 63.789 62.100 0.230 0.000 1.153 271 T CB -0.273 68.712 68.868 0.195 0.000 0.863 271 T HN 0.437 nan 8.240 nan 0.000 0.428 272 A N 1.000 123.909 122.820 0.149 0.000 1.892 272 A HA -0.113 4.118 4.320 -0.147 0.000 0.218 272 A C 2.048 179.721 177.584 0.148 0.000 1.188 272 A CA 1.752 53.861 52.037 0.119 0.000 0.631 272 A CB -1.110 17.952 19.000 0.103 0.000 0.822 272 A HN 0.492 nan 8.150 nan 0.000 0.447 273 F N 0.679 120.666 119.950 0.061 0.000 2.069 273 F HA -0.183 4.267 4.527 -0.129 0.000 0.298 273 F C 2.254 178.098 175.800 0.072 0.000 1.113 273 F CA 2.279 60.319 58.000 0.067 0.000 1.214 273 F CB -0.183 38.864 39.000 0.078 0.000 0.978 273 F HN 0.042 nan 8.300 nan 0.000 0.474 274 V N -0.630 119.454 119.914 0.285 0.000 2.453 274 V HA -0.227 3.805 4.120 -0.147 0.000 0.247 274 V C 2.162 178.326 176.094 0.116 0.000 1.048 274 V CA 2.155 64.573 62.300 0.197 0.000 1.049 274 V CB -1.152 30.832 31.823 0.269 0.000 0.672 274 V HN 0.423 nan 8.190 nan 0.000 0.457 275 T N -0.963 113.663 114.554 0.121 0.000 2.851 275 T HA -0.057 4.205 4.350 -0.147 0.000 0.262 275 T C 1.433 176.135 174.700 0.004 0.000 1.043 275 T CA 1.075 63.214 62.100 0.065 0.000 1.140 275 T CB -0.153 68.731 68.868 0.025 0.000 0.872 275 T HN 0.389 nan 8.240 nan 0.000 0.446 276 R N -0.101 120.385 120.500 -0.023 0.000 3.922 276 R HA -0.129 4.123 4.340 -0.147 0.000 0.447 276 R C 0.271 176.542 176.300 -0.047 0.000 1.035 276 R CA 0.867 56.929 56.100 -0.063 0.000 1.289 276 R CB -2.084 28.159 30.300 -0.096 0.000 1.906 276 R HN 0.351 nan 8.270 nan 0.000 0.540 277 S N -0.139 115.543 115.700 -0.030 0.000 2.404 277 S HA 0.349 4.731 4.470 -0.147 0.000 0.309 277 S C 1.080 175.666 174.600 -0.023 0.000 1.076 277 S CA -0.063 58.118 58.200 -0.032 0.000 1.095 277 S CB 1.571 64.749 63.200 -0.036 0.000 0.972 277 S HN 0.283 nan 8.310 nan 0.000 0.484 278 S N 3.559 119.245 115.700 -0.023 0.000 2.370 278 S HA -0.111 4.271 4.470 -0.147 0.000 0.226 278 S C 2.196 176.788 174.600 -0.013 0.000 1.033 278 S CA 1.971 60.162 58.200 -0.014 0.000 1.011 278 S CB -0.395 62.792 63.200 -0.022 0.000 0.852 278 S HN 0.810 nan 8.310 nan 0.000 0.457 279 S N 0.112 115.803 115.700 -0.016 0.000 2.368 279 S HA -0.007 4.375 4.470 -0.147 0.000 0.224 279 S C 1.952 176.540 174.600 -0.021 0.000 1.029 279 S CA 1.582 59.774 58.200 -0.012 0.000 0.988 279 S CB -0.779 62.414 63.200 -0.011 0.000 0.838 279 S HN 0.630 nan 8.310 nan 0.000 0.462 280 G N -0.326 108.453 108.800 -0.035 0.000 2.484 280 G HA2 -0.053 3.819 3.960 -0.147 0.000 0.218 280 G HA3 -0.053 3.819 3.960 -0.147 0.000 0.218 280 G C 1.331 176.189 174.900 -0.071 0.000 1.130 280 G CA 1.181 46.244 45.100 -0.061 0.000 0.784 280 G HN 0.559 nan 8.290 nan 0.000 0.543 281 T N 1.138 115.667 114.554 -0.041 0.000 3.088 281 T HA 0.057 4.319 4.350 -0.147 0.000 0.259 281 T C 2.160 176.856 174.700 -0.007 0.000 1.122 281 T CA -0.119 61.968 62.100 -0.022 0.000 1.095 281 T CB 0.027 68.901 68.868 0.010 0.000 0.930 281 T HN 0.056 nan 8.240 nan 0.000 0.508 282 L N 2.150 123.369 121.223 -0.005 0.000 2.021 282 L HA -0.071 4.181 4.340 -0.147 0.000 0.215 282 L C -0.813 176.066 176.870 0.014 0.000 1.074 282 L CA 2.069 56.917 54.840 0.013 0.000 0.760 282 L CB -1.444 40.625 42.059 0.016 0.000 0.889 282 L HN 0.159 nan 8.230 nan 0.000 0.433 283 P HA -0.139 nan 4.420 nan 0.000 0.215 283 P C 2.141 179.450 177.300 0.015 0.000 1.153 283 P CA 1.146 64.226 63.100 -0.034 0.000 0.853 283 P CB 0.021 31.684 31.700 -0.061 0.000 0.788 284 V N -1.011 118.915 119.914 0.020 0.000 3.129 284 V HA -0.114 3.917 4.120 -0.147 0.000 0.259 284 V C 1.844 177.958 176.094 0.033 0.000 1.116 284 V CA 2.130 64.456 62.300 0.043 0.000 1.127 284 V CB -1.216 30.641 31.823 0.057 0.000 0.742 284 V HN 0.171 nan 8.190 nan 0.000 0.474 285 T N -0.195 114.376 114.554 0.027 0.000 2.851 285 T HA -0.087 4.175 4.350 -0.147 0.000 0.262 285 T C 1.808 176.509 174.700 0.001 0.000 1.043 285 T CA 1.625 63.731 62.100 0.011 0.000 1.140 285 T CB -0.177 68.704 68.868 0.022 0.000 0.872 285 T HN 0.340 nan 8.240 nan 0.000 0.446 286 M N 0.497 120.135 119.600 0.064 0.000 2.175 286 M HA 0.031 4.423 4.480 -0.147 0.000 0.264 286 M C 2.558 178.883 176.300 0.042 0.000 1.063 286 M CA 1.165 56.531 55.300 0.109 0.000 1.119 286 M CB -0.231 32.568 32.600 0.330 0.000 1.377 286 M HN 0.023 nan 8.290 nan 0.000 0.415 287 R N 0.135 120.741 120.500 0.178 0.000 2.115 287 R HA -0.081 4.170 4.340 -0.147 0.000 0.230 287 R C 1.852 178.116 176.300 -0.061 0.000 1.111 287 R CA 1.047 57.226 56.100 0.133 0.000 0.976 287 R CB -0.063 30.369 30.300 0.220 0.000 0.870 287 R HN 0.227 nan 8.270 nan 0.000 0.445 288 V N 0.829 120.699 119.914 -0.073 0.000 2.427 288 V HA -0.184 3.848 4.120 -0.147 0.000 0.248 288 V C 2.440 178.427 176.094 -0.178 0.000 1.051 288 V CA 1.805 64.040 62.300 -0.109 0.000 1.048 288 V CB -0.408 31.357 31.823 -0.096 0.000 0.666 288 V HN 0.457 nan 8.190 nan 0.000 0.456 289 A N -0.094 122.553 122.820 -0.288 0.000 1.902 289 A HA -0.256 3.976 4.320 -0.147 0.000 0.217 289 A C 2.322 179.551 177.584 -0.592 0.000 1.181 289 A CA 2.156 53.926 52.037 -0.444 0.000 0.623 289 A CB -0.479 18.165 19.000 -0.592 0.000 0.818 289 A HN 0.535 nan 8.150 nan 0.000 0.443 290 K N 0.024 119.969 120.400 -0.758 0.000 2.009 290 K HA -0.190 4.042 4.320 -0.147 0.000 0.210 290 K C 1.364 177.835 176.600 -0.215 0.000 1.049 290 K CA 1.903 57.906 56.287 -0.474 0.000 0.929 290 K CB -0.226 32.010 32.500 -0.440 0.000 0.714 290 K HN 0.503 nan 8.250 nan 0.000 0.440 291 E N 0.356 120.455 120.200 -0.168 0.000 2.463 291 E HA -0.032 4.230 4.350 -0.147 0.000 0.191 291 E C 1.015 177.630 176.600 0.026 0.000 1.083 291 E CA 0.210 56.565 56.400 -0.077 0.000 0.872 291 E CB 0.112 29.762 29.700 -0.083 0.000 0.966 291 E HN 0.505 nan 8.360 nan 0.000 0.491 292 M N -3.241 116.373 119.600 0.022 0.000 2.405 292 M HA 0.382 4.774 4.480 -0.147 0.000 0.292 292 M C 0.825 177.118 176.300 -0.012 0.000 1.111 292 M CA 0.364 55.713 55.300 0.083 0.000 0.979 292 M CB 0.550 33.156 32.600 0.008 0.000 1.426 292 M HN 0.016 nan 8.290 nan 0.000 0.509 293 G N 2.703 111.493 108.800 -0.018 0.000 2.212 293 G HA2 -0.182 3.690 3.960 -0.147 0.000 0.255 293 G HA3 -0.182 3.690 3.960 -0.147 0.000 0.255 293 G C -0.253 174.657 174.900 0.018 0.000 1.062 293 G CA 0.080 45.179 45.100 -0.001 0.000 0.815 293 G HN 0.619 nan 8.290 nan 0.000 0.497 294 I N 1.060 121.649 120.570 0.031 0.000 2.577 294 I HA 0.415 4.497 4.170 -0.147 0.000 0.300 294 I C 1.236 177.497 176.117 0.239 0.000 0.990 294 I CA -0.442 60.927 61.300 0.115 0.000 1.283 294 I CB 1.599 39.677 38.000 0.132 0.000 1.411 294 I HN 0.352 nan 8.210 nan 0.000 0.515 295 S N 2.927 118.734 115.700 0.177 0.000 2.565 295 S HA 0.171 4.553 4.470 -0.147 0.000 0.274 295 S C 0.722 175.322 174.600 0.000 0.000 1.309 295 S CA -0.689 57.575 58.200 0.106 0.000 1.043 295 S CB 1.435 64.650 63.200 0.024 0.000 0.939 295 S HN 0.642 nan 8.310 nan 0.000 0.504 296 E N 2.379 122.457 120.200 -0.203 0.000 2.219 296 E HA -0.149 4.113 4.350 -0.147 0.000 0.198 296 E C 2.118 178.483 176.600 -0.392 0.000 0.998 296 E CA 1.096 57.114 56.400 -0.637 0.000 0.818 296 E CB -0.648 28.837 29.700 -0.359 0.000 0.741 296 E HN 0.946 nan 8.360 nan 0.000 0.477 297 G N 1.355 110.042 108.800 -0.188 0.000 2.469 297 G HA2 -0.239 3.632 3.960 -0.147 0.000 0.219 297 G HA3 -0.239 3.632 3.960 -0.147 0.000 0.219 297 G C 1.479 176.339 174.900 -0.066 0.000 1.150 297 G CA 0.711 45.742 45.100 -0.116 0.000 0.763 297 G HN 0.097 nan 8.290 nan 0.000 0.561 298 I N -0.054 120.495 120.570 -0.035 0.000 2.368 298 I HA 0.054 4.135 4.170 -0.147 0.000 0.238 298 I C 2.657 178.831 176.117 0.094 0.000 1.076 298 I CA 0.724 62.059 61.300 0.058 0.000 1.397 298 I CB -1.711 36.334 38.000 0.075 0.000 1.141 298 I HN 0.471 nan 8.210 nan 0.000 0.430 299 Y N 1.756 122.095 120.300 0.065 0.000 2.274 299 Y HA -0.041 4.421 4.550 -0.147 0.000 0.290 299 Y C 2.629 178.582 175.900 0.089 0.000 1.145 299 Y CA 1.509 59.647 58.100 0.064 0.000 1.203 299 Y CB -1.139 37.350 38.460 0.048 0.000 0.984 299 Y HN 0.157 nan 8.280 nan 0.000 0.533 300 S N 0.478 116.002 115.700 -0.293 0.000 2.442 300 S HA -0.134 4.247 4.470 -0.147 0.000 0.236 300 S C 1.677 176.327 174.600 0.084 0.000 1.007 300 S CA 1.425 59.556 58.200 -0.116 0.000 0.965 300 S CB -0.916 62.142 63.200 -0.237 0.000 0.773 300 S HN 0.610 nan 8.310 nan 0.000 0.504 301 F N 2.239 122.163 119.950 -0.043 0.000 2.315 301 F HA 0.035 4.474 4.527 -0.145 0.000 0.284 301 F C 2.618 178.457 175.800 0.064 0.000 1.049 301 F CA 1.943 59.944 58.000 0.002 0.000 1.323 301 F CB -0.608 38.376 39.000 -0.028 0.000 1.113 301 F HN 0.183 nan 8.300 nan 0.000 0.544 302 T N -0.336 114.137 114.554 -0.135 0.000 2.904 302 T HA -0.097 4.165 4.350 -0.147 0.000 0.267 302 T C 2.158 176.856 174.700 -0.003 0.000 1.059 302 T CA 1.511 63.492 62.100 -0.199 0.000 1.137 302 T CB -0.869 67.968 68.868 -0.052 0.000 0.879 302 T HN 0.350 nan 8.240 nan 0.000 0.467 303 L N 0.992 122.256 121.223 0.068 0.000 2.072 303 L HA 0.075 4.327 4.340 -0.147 0.000 0.205 303 L C -0.337 176.568 176.870 0.059 0.000 1.079 303 L CA 1.171 56.072 54.840 0.102 0.000 0.752 303 L CB -1.337 40.816 42.059 0.157 0.000 0.906 303 L HN 0.257 nan 8.230 nan 0.000 0.436 304 P HA -0.130 nan 4.420 nan 0.000 0.220 304 P C 1.730 179.030 177.300 0.001 0.000 1.152 304 P CA 0.790 63.909 63.100 0.031 0.000 0.812 304 P CB 0.113 31.845 31.700 0.054 0.000 0.792 305 L N 0.324 121.515 121.223 -0.054 0.000 2.017 305 L HA -0.023 4.229 4.340 -0.147 0.000 0.208 305 L C 2.303 179.177 176.870 0.006 0.000 1.073 305 L CA 2.434 57.243 54.840 -0.051 0.000 0.745 305 L CB -1.651 40.273 42.059 -0.226 0.000 0.894 305 L HN -0.029 nan 8.230 nan 0.000 0.432 306 G N -1.340 107.485 108.800 0.041 0.000 2.470 306 G HA2 -0.204 3.668 3.960 -0.147 0.000 0.220 306 G HA3 -0.204 3.668 3.960 -0.147 0.000 0.220 306 G C 1.482 176.282 174.900 -0.167 0.000 1.121 306 G CA 0.624 45.600 45.100 -0.208 0.000 0.766 306 G HN 0.633 nan 8.290 nan 0.000 0.553 307 A N 0.232 123.016 122.820 -0.060 0.000 2.168 307 A HA 0.200 4.431 4.320 -0.147 0.000 0.215 307 A C 2.361 179.921 177.584 -0.041 0.000 1.152 307 A CA 2.178 54.191 52.037 -0.041 0.000 0.716 307 A CB -0.291 18.704 19.000 -0.008 0.000 0.794 307 A HN 0.521 nan 8.150 nan 0.000 0.465 308 T N -5.405 109.122 114.554 -0.045 0.000 2.954 308 T HA 0.276 4.537 4.350 -0.147 0.000 0.252 308 T C 1.178 175.857 174.700 -0.035 0.000 0.983 308 T CA 0.600 62.685 62.100 -0.025 0.000 0.941 308 T CB -0.060 68.812 68.868 0.005 0.000 1.141 308 T HN 0.031 nan 8.240 nan 0.000 0.500 309 I N 1.424 121.951 120.570 -0.073 0.000 3.718 309 I HA 0.368 4.450 4.170 -0.147 0.000 0.297 309 I C 0.613 176.632 176.117 -0.164 0.000 1.220 309 I CA -0.183 61.080 61.300 -0.062 0.000 1.381 309 I CB 0.335 38.355 38.000 0.033 0.000 1.238 309 I HN 0.287 nan 8.210 nan 0.000 0.448 310 N N 1.588 120.056 118.700 -0.385 0.000 2.558 310 N HA 0.194 4.845 4.740 -0.147 0.000 0.233 310 N C -0.804 174.570 175.510 -0.226 0.000 1.038 310 N CA -0.108 52.650 53.050 -0.487 0.000 0.934 310 N CB 0.434 38.201 38.487 -1.200 0.000 1.175 310 N HN -0.058 nan 8.380 nan 0.000 0.512 311 M N 3.192 122.727 119.600 -0.108 0.000 2.182 311 M HA 0.235 4.627 4.480 -0.147 0.000 0.285 311 M C 0.284 176.586 176.300 0.003 0.000 0.956 311 M CA -0.569 54.706 55.300 -0.042 0.000 0.878 311 M CB 0.871 33.456 32.600 -0.025 0.000 1.373 311 M HN 0.339 nan 8.290 nan 0.000 0.393 312 D N 1.260 121.680 120.400 0.034 0.000 2.103 312 D HA 0.002 4.554 4.640 -0.147 0.000 0.199 312 D C 1.768 178.109 176.300 0.069 0.000 0.978 312 D CA 1.406 55.451 54.000 0.076 0.000 0.829 312 D CB 0.044 40.944 40.800 0.166 0.000 0.981 312 D HN 0.724 nan 8.370 nan 0.000 0.464 313 G N -0.228 108.611 108.800 0.065 0.000 2.471 313 G HA2 -0.191 3.680 3.960 -0.147 0.000 0.219 313 G HA3 -0.191 3.680 3.960 -0.147 0.000 0.219 313 G C 1.660 176.585 174.900 0.043 0.000 1.125 313 G CA 1.138 46.261 45.100 0.038 0.000 0.775 313 G HN 0.218 nan 8.290 nan 0.000 0.548 314 T N 1.241 115.821 114.554 0.043 0.000 2.770 314 T HA 0.112 4.373 4.350 -0.147 0.000 0.263 314 T C 2.859 177.645 174.700 0.143 0.000 1.039 314 T CA 1.244 63.395 62.100 0.087 0.000 1.142 314 T CB -0.279 68.614 68.868 0.041 0.000 0.868 314 T HN 0.336 nan 8.240 nan 0.000 0.435 315 A N 1.055 123.927 122.820 0.086 0.000 1.940 315 A HA -0.037 4.195 4.320 -0.147 0.000 0.219 315 A C 2.253 179.874 177.584 0.062 0.000 1.176 315 A CA 1.381 53.460 52.037 0.070 0.000 0.631 315 A CB -0.820 18.211 19.000 0.051 0.000 0.814 315 A HN 0.491 nan 8.150 nan 0.000 0.446 316 L N -1.962 119.298 121.223 0.062 0.000 2.044 316 L HA -0.116 4.135 4.340 -0.147 0.000 0.205 316 L C 2.479 179.375 176.870 0.043 0.000 1.075 316 L CA 2.004 56.864 54.840 0.035 0.000 0.747 316 L CB -0.441 41.630 42.059 0.020 0.000 0.903 316 L HN 0.558 nan 8.230 nan 0.000 0.435 317 Y N 0.435 120.709 120.300 -0.042 0.000 2.165 317 Y HA -0.335 4.121 4.550 -0.156 0.000 0.286 317 Y C 2.428 178.324 175.900 -0.007 0.000 1.155 317 Y CA 2.160 60.233 58.100 -0.046 0.000 1.164 317 Y CB -0.249 38.175 38.460 -0.060 0.000 0.978 317 Y HN 0.323 nan 8.280 nan 0.000 0.513 318 Q N -0.392 119.371 119.800 -0.062 0.000 2.123 318 Q HA -0.020 4.232 4.340 -0.147 0.000 0.199 318 Q C 2.552 178.511 176.000 -0.069 0.000 0.966 318 Q CA 0.999 56.728 55.803 -0.123 0.000 0.845 318 Q CB -0.422 28.349 28.738 0.054 0.000 0.907 318 Q HN 0.658 nan 8.270 nan 0.000 0.439 319 G N 0.341 109.128 108.800 -0.021 0.000 2.421 319 G HA2 -0.251 3.621 3.960 -0.147 0.000 0.216 319 G HA3 -0.251 3.621 3.960 -0.147 0.000 0.216 319 G C 1.429 176.343 174.900 0.024 0.000 1.171 319 G CA 0.866 45.975 45.100 0.015 0.000 0.775 319 G HN 0.314 nan 8.290 nan 0.000 0.543 320 V N -0.216 119.666 119.914 -0.053 0.000 3.041 320 V HA -0.041 3.990 4.120 -0.147 0.000 0.260 320 V C 2.485 178.589 176.094 0.017 0.000 1.105 320 V CA 1.655 63.932 62.300 -0.039 0.000 1.125 320 V CB -0.355 31.421 31.823 -0.079 0.000 0.730 320 V HN 0.442 nan 8.190 nan 0.000 0.479 321 C N -0.670 118.566 119.300 -0.107 0.000 2.590 321 C HA 0.040 4.411 4.460 -0.147 0.000 0.272 321 C C 2.651 177.689 174.990 0.080 0.000 1.338 321 C CA 1.048 60.009 59.018 -0.095 0.000 1.746 321 C CB -0.797 26.677 27.740 -0.444 0.000 2.020 321 C HN 0.621 nan 8.230 nan 0.000 0.531 322 T N 1.010 115.616 114.554 0.086 0.000 2.788 322 T HA -0.108 4.154 4.350 -0.147 0.000 0.268 322 T C 1.389 176.164 174.700 0.126 0.000 1.044 322 T CA 1.530 63.695 62.100 0.107 0.000 1.139 322 T CB -0.319 68.613 68.868 0.106 0.000 0.867 322 T HN 0.408 nan 8.240 nan 0.000 0.454 323 F N 0.537 120.507 119.950 0.033 0.000 2.146 323 F HA 0.097 4.534 4.527 -0.151 0.000 0.298 323 F C 1.910 177.749 175.800 0.066 0.000 1.096 323 F CA 0.438 58.462 58.000 0.040 0.000 1.275 323 F CB -0.658 38.365 39.000 0.039 0.000 1.008 323 F HN 0.135 nan 8.300 nan 0.000 0.480 324 F N 0.642 120.677 119.950 0.142 0.000 2.095 324 F HA -0.248 4.205 4.527 -0.123 0.000 0.298 324 F C 2.135 177.956 175.800 0.035 0.000 1.104 324 F CA 1.723 59.767 58.000 0.072 0.000 1.232 324 F CB -0.502 38.517 39.000 0.033 0.000 0.987 324 F HN -0.098 nan 8.300 nan 0.000 0.475 325 I N 0.211 120.874 120.570 0.155 0.000 2.202 325 I HA -0.251 3.831 4.170 -0.147 0.000 0.242 325 I C 2.708 178.769 176.117 -0.093 0.000 1.091 325 I CA 1.155 62.477 61.300 0.036 0.000 1.368 325 I CB -1.005 37.081 38.000 0.142 0.000 1.058 325 I HN 0.236 nan 8.210 nan 0.000 0.410 326 A N 0.710 123.470 122.820 -0.099 0.000 2.019 326 A HA -0.216 4.015 4.320 -0.147 0.000 0.219 326 A C 1.978 179.458 177.584 -0.172 0.000 1.164 326 A CA 1.942 53.882 52.037 -0.163 0.000 0.644 326 A CB -0.965 17.874 19.000 -0.268 0.000 0.805 326 A HN 0.522 nan 8.150 nan 0.000 0.449 327 N N -0.288 118.311 118.700 -0.168 0.000 2.300 327 N HA 0.028 4.680 4.740 -0.147 0.000 0.179 327 N C 1.804 177.197 175.510 -0.195 0.000 1.016 327 N CA 0.710 53.671 53.050 -0.148 0.000 0.876 327 N CB -0.147 38.288 38.487 -0.087 0.000 0.979 327 N HN 0.484 nan 8.380 nan 0.000 0.432 328 A N 0.623 123.265 122.820 -0.297 0.000 2.066 328 A HA 0.036 4.267 4.320 -0.147 0.000 0.218 328 A C 1.794 179.285 177.584 -0.156 0.000 1.157 328 A CA 0.767 52.632 52.037 -0.288 0.000 0.670 328 A CB -0.130 18.613 19.000 -0.429 0.000 0.804 328 A HN 0.188 nan 8.150 nan 0.000 0.453 329 L N -1.974 119.172 121.223 -0.128 0.000 2.638 329 L HA 0.252 4.503 4.340 -0.147 0.000 0.232 329 L C 1.465 178.288 176.870 -0.079 0.000 1.099 329 L CA 0.549 55.337 54.840 -0.086 0.000 0.883 329 L CB -0.144 41.872 42.059 -0.071 0.000 1.136 329 L HN 0.522 nan 8.230 nan 0.000 0.492 330 G N 1.008 109.753 108.800 -0.092 0.000 2.198 330 G HA2 -0.287 3.584 3.960 -0.147 0.000 0.257 330 G HA3 -0.287 3.584 3.960 -0.147 0.000 0.257 330 G C 0.318 175.171 174.900 -0.078 0.000 1.042 330 G CA 0.404 45.457 45.100 -0.077 0.000 0.791 330 G HN 0.530 nan 8.290 nan 0.000 0.502 331 S N -1.278 114.363 115.700 -0.098 0.000 2.592 331 S HA 0.706 5.088 4.470 -0.147 0.000 0.271 331 S C 1.195 175.723 174.600 -0.120 0.000 1.326 331 S CA 0.950 59.088 58.200 -0.103 0.000 1.024 331 S CB 0.338 63.468 63.200 -0.116 0.000 0.921 331 S HN 1.949 nan 8.310 nan 0.000 0.527 332 H N 0.423 119.432 119.070 -0.101 0.000 2.555 332 H HA 0.538 5.006 4.556 -0.147 0.000 0.269 332 H C 1.649 176.896 175.328 -0.134 0.000 0.988 332 H CA 1.143 57.136 56.048 -0.092 0.000 1.178 332 H CB -1.542 28.186 29.762 -0.057 0.000 1.373 332 H HN 2.409 nan 8.280 nan 0.000 0.588 333 L N 0.522 121.625 121.223 -0.200 0.000 3.762 333 L HA -0.116 4.136 4.340 -0.147 0.000 0.460 333 L C 0.991 177.776 176.870 -0.142 0.000 1.255 333 L CA 1.100 55.772 54.840 -0.281 0.000 0.783 333 L CB -3.268 38.397 42.059 -0.656 0.000 1.600 333 L HN 1.279 nan 8.230 nan 0.000 0.862 334 T N -2.173 112.329 114.554 -0.088 0.000 1.078 334 T HA 0.205 4.467 4.350 -0.147 0.000 0.725 334 T C 1.161 175.852 174.700 -0.014 0.000 0.986 334 T CA 1.174 63.248 62.100 -0.042 0.000 3.841 334 T CB -1.205 67.645 68.868 -0.031 0.000 2.111 334 T HN 2.379 nan 8.240 nan 0.000 0.364 335 V N 2.437 122.345 119.914 -0.009 0.000 2.358 335 V HA 0.440 4.472 4.120 -0.147 0.000 0.234 335 V C 1.513 177.613 176.094 0.010 0.000 1.239 335 V CA 1.316 63.621 62.300 0.008 0.000 1.343 335 V CB -1.206 30.619 31.823 0.003 0.000 1.377 335 V HN 1.522 nan 8.190 nan 0.000 0.487 336 G N 1.808 110.619 108.800 0.018 0.000 3.145 336 G HA2 0.259 4.130 3.960 -0.147 0.000 0.195 336 G HA3 0.259 4.130 3.960 -0.147 0.000 0.195 336 G C 0.638 175.548 174.900 0.017 0.000 2.278 336 G CA 0.493 45.601 45.100 0.014 0.000 1.441 336 G HN 1.870 nan 8.290 nan 0.000 0.452 337 Q N 1.477 121.283 119.800 0.010 0.000 3.181 337 Q HA 0.584 4.835 4.340 -0.147 0.000 0.293 337 Q C 1.023 177.032 176.000 0.015 0.000 1.406 337 Q CA 0.803 56.611 55.803 0.009 0.000 1.026 337 Q CB -0.703 28.036 28.738 0.001 0.000 1.630 337 Q HN 0.978 nan 8.270 nan 0.000 0.553 338 Q N -0.424 119.399 119.800 0.038 0.000 2.172 338 Q HA 0.159 4.410 4.340 -0.147 0.000 0.217 338 Q C 1.229 177.267 176.000 0.062 0.000 0.832 338 Q CA 0.301 56.145 55.803 0.069 0.000 1.010 338 Q CB -0.231 28.598 28.738 0.152 0.000 1.133 338 Q HN 0.767 nan 8.270 nan 0.000 0.489 339 L N -2.104 119.139 121.223 0.033 0.000 2.492 339 L HA 0.187 4.439 4.340 -0.147 0.000 0.223 339 L C 1.417 178.298 176.870 0.019 0.000 1.132 339 L CA 0.796 55.647 54.840 0.019 0.000 0.850 339 L CB -0.415 41.649 42.059 0.008 0.000 0.966 339 L HN -0.119 nan 8.230 nan 0.000 0.454 340 T N 0.789 115.355 114.554 0.020 0.000 2.821 340 T HA -0.018 4.244 4.350 -0.147 0.000 0.267 340 T C 1.919 176.633 174.700 0.023 0.000 1.046 340 T CA 1.867 63.977 62.100 0.017 0.000 1.139 340 T CB -0.345 68.529 68.868 0.009 0.000 0.871 340 T HN 0.323 nan 8.240 nan 0.000 0.454 341 I N 0.994 121.585 120.570 0.036 0.000 2.099 341 I HA -0.182 3.900 4.170 -0.147 0.000 0.239 341 I C 2.549 178.690 176.117 0.039 0.000 1.066 341 I CA 1.003 62.332 61.300 0.049 0.000 1.324 341 I CB -0.738 37.318 38.000 0.093 0.000 1.037 341 I HN 0.051 nan 8.210 nan 0.000 0.401 342 V N 0.861 120.794 119.914 0.032 0.000 2.278 342 V HA -0.331 3.700 4.120 -0.147 0.000 0.251 342 V C 2.434 178.538 176.094 0.017 0.000 1.062 342 V CA 2.199 64.507 62.300 0.014 0.000 1.038 342 V CB -0.622 31.198 31.823 -0.005 0.000 0.646 342 V HN 0.365 nan 8.190 nan 0.000 0.447 343 L N -0.275 120.959 121.223 0.018 0.000 1.976 343 L HA -0.183 4.068 4.340 -0.147 0.000 0.209 343 L C 2.590 179.475 176.870 0.025 0.000 1.071 343 L CA 2.666 57.519 54.840 0.021 0.000 0.746 343 L CB -0.680 41.390 42.059 0.018 0.000 0.890 343 L HN 0.386 nan 8.230 nan 0.000 0.432 344 T N -0.361 114.208 114.554 0.024 0.000 2.915 344 T HA -0.094 4.167 4.350 -0.147 0.000 0.269 344 T C 1.830 176.549 174.700 0.032 0.000 1.071 344 T CA 0.979 63.094 62.100 0.026 0.000 1.132 344 T CB -0.445 68.436 68.868 0.021 0.000 0.878 344 T HN 0.498 nan 8.240 nan 0.000 0.479 345 A N 1.140 123.980 122.820 0.035 0.000 1.898 345 A HA 0.003 4.235 4.320 -0.147 0.000 0.216 345 A C 2.569 180.178 177.584 0.041 0.000 1.181 345 A CA 1.038 53.100 52.037 0.041 0.000 0.620 345 A CB -0.972 18.053 19.000 0.040 0.000 0.819 345 A HN 0.346 nan 8.150 nan 0.000 0.442 346 V N 0.222 120.158 119.914 0.036 0.000 2.287 346 V HA -0.238 3.793 4.120 -0.147 0.000 0.248 346 V C 2.519 178.635 176.094 0.037 0.000 1.053 346 V CA 1.747 64.069 62.300 0.037 0.000 1.027 346 V CB -0.707 31.138 31.823 0.037 0.000 0.646 346 V HN 0.479 nan 8.190 nan 0.000 0.447 347 L N 0.132 121.376 121.223 0.035 0.000 2.042 347 L HA -0.150 4.102 4.340 -0.147 0.000 0.210 347 L C 2.654 179.545 176.870 0.034 0.000 1.076 347 L CA 2.484 57.344 54.840 0.034 0.000 0.749 347 L CB -1.866 40.211 42.059 0.030 0.000 0.893 347 L HN 0.384 nan 8.230 nan 0.000 0.432 348 A N -1.060 121.783 122.820 0.038 0.000 1.898 348 A HA -0.151 4.081 4.320 -0.147 0.000 0.216 348 A C 2.508 180.118 177.584 0.044 0.000 1.181 348 A CA 1.737 53.801 52.037 0.045 0.000 0.620 348 A CB -0.531 18.502 19.000 0.056 0.000 0.819 348 A HN 0.456 nan 8.150 nan 0.000 0.442 349 S N 0.279 116.005 115.700 0.042 0.000 2.353 349 S HA -0.164 4.218 4.470 -0.147 0.000 0.222 349 S C 1.820 176.429 174.600 0.015 0.000 1.035 349 S CA 1.640 59.859 58.200 0.031 0.000 1.025 349 S CB -0.594 62.623 63.200 0.028 0.000 0.902 349 S HN 0.542 nan 8.310 nan 0.000 0.440 350 I N 1.782 122.363 120.570 0.019 0.000 2.163 350 I HA -0.159 3.922 4.170 -0.147 0.000 0.243 350 I C 2.777 178.906 176.117 0.019 0.000 1.085 350 I CA 1.323 62.634 61.300 0.018 0.000 1.347 350 I CB -0.981 37.039 38.000 0.034 0.000 1.044 350 I HN 0.395 nan 8.210 nan 0.000 0.408 351 G N 0.160 108.976 108.800 0.025 0.000 2.432 351 G HA2 -0.147 3.725 3.960 -0.147 0.000 0.219 351 G HA3 -0.147 3.725 3.960 -0.147 0.000 0.219 351 G C 0.879 175.792 174.900 0.022 0.000 1.135 351 G CA 0.541 45.656 45.100 0.026 0.000 0.767 351 G HN 0.318 nan 8.290 nan 0.000 0.550 352 T N 1.358 115.924 114.554 0.021 0.000 2.937 352 T HA 0.451 4.713 4.350 -0.147 0.000 0.316 352 T C 0.560 175.261 174.700 0.003 0.000 1.079 352 T CA 0.197 62.306 62.100 0.015 0.000 1.131 352 T CB 1.360 70.237 68.868 0.015 0.000 1.000 352 T HN 0.398 nan 8.240 nan 0.000 0.549 353 A N 1.762 124.582 122.820 -0.000 0.000 2.264 353 A HA 0.663 4.895 4.320 -0.147 0.000 0.304 353 A C 1.498 179.072 177.584 -0.017 0.000 1.100 353 A CA -0.378 51.655 52.037 -0.005 0.000 0.839 353 A CB 0.407 19.406 19.000 -0.002 0.000 1.121 353 A HN 0.965 nan 8.150 nan 0.000 0.496 354 G N -0.736 108.054 108.800 -0.017 0.000 3.061 354 G HA2 0.415 4.287 3.960 -0.147 0.000 0.208 354 G HA3 0.415 4.287 3.960 -0.147 0.000 0.208 354 G C 0.544 175.428 174.900 -0.026 0.000 1.175 354 G CA 0.818 45.904 45.100 -0.023 0.000 0.812 354 G HN 1.246 nan 8.290 nan 0.000 0.523 355 V N 0.379 120.279 119.914 -0.024 0.000 3.083 355 V HA 0.535 4.566 4.120 -0.147 0.000 0.306 355 V C -1.352 174.719 176.094 -0.037 0.000 1.077 355 V CA -1.936 60.348 62.300 -0.026 0.000 1.073 355 V CB 1.087 32.900 31.823 -0.017 0.000 1.081 355 V HN 0.051 nan 8.190 nan 0.000 0.474 356 P HA 0.240 nan 4.420 nan 0.000 0.243 356 P C 0.525 177.786 177.300 -0.065 0.000 1.672 356 P CA 1.020 64.087 63.100 -0.054 0.000 1.000 356 P CB 0.252 31.928 31.700 -0.040 0.000 1.562 357 G N -0.675 108.090 108.800 -0.059 0.000 2.578 357 G HA2 0.194 4.066 3.960 -0.147 0.000 0.184 357 G HA3 0.194 4.066 3.960 -0.147 0.000 0.184 357 G C 1.273 176.139 174.900 -0.057 0.000 1.289 357 G CA 0.583 45.644 45.100 -0.064 0.000 0.847 357 G HN 0.224 nan 8.290 nan 0.000 0.880 358 A N 1.118 123.915 122.820 -0.038 0.000 2.024 358 A HA 0.187 4.418 4.320 -0.147 0.000 0.220 358 A C 2.528 180.120 177.584 0.013 0.000 1.164 358 A CA 2.275 54.309 52.037 -0.005 0.000 0.643 358 A CB -0.777 18.221 19.000 -0.003 0.000 0.806 358 A HN 0.644 nan 8.150 nan 0.000 0.451 359 G N -0.524 108.256 108.800 -0.033 0.000 2.422 359 G HA2 0.007 3.878 3.960 -0.147 0.000 0.218 359 G HA3 0.007 3.878 3.960 -0.147 0.000 0.218 359 G C 1.704 176.710 174.900 0.177 0.000 1.146 359 G CA 1.316 46.425 45.100 0.015 0.000 0.769 359 G HN 0.766 nan 8.290 nan 0.000 0.547 360 A N 0.824 123.701 122.820 0.095 0.000 1.877 360 A HA 0.061 4.292 4.320 -0.147 0.000 0.216 360 A C 2.393 180.150 177.584 0.289 0.000 1.186 360 A CA 1.243 53.426 52.037 0.245 0.000 0.620 360 A CB -0.351 18.685 19.000 0.060 0.000 0.822 360 A HN 0.366 nan 8.150 nan 0.000 0.443 361 I N -1.589 119.092 120.570 0.186 0.000 2.226 361 I HA -0.264 3.818 4.170 -0.147 0.000 0.245 361 I C 2.553 178.757 176.117 0.145 0.000 1.100 361 I CA 1.713 63.120 61.300 0.179 0.000 1.374 361 I CB -0.221 37.838 38.000 0.099 0.000 1.057 361 I HN 0.284 nan 8.210 nan 0.000 0.413 362 M N 0.217 119.892 119.600 0.124 0.000 2.476 362 M HA -0.082 4.309 4.480 -0.147 0.000 0.262 362 M C 1.823 178.191 176.300 0.113 0.000 1.079 362 M CA 1.204 56.562 55.300 0.096 0.000 1.104 362 M CB -0.370 32.278 32.600 0.080 0.000 1.409 362 M HN 0.175 nan 8.290 nan 0.000 0.467 363 L N 0.205 121.537 121.223 0.182 0.000 2.187 363 L HA -0.056 4.196 4.340 -0.147 0.000 0.213 363 L C 2.169 179.093 176.870 0.090 0.000 1.100 363 L CA 2.046 56.988 54.840 0.170 0.000 0.765 363 L CB -1.097 41.118 42.059 0.261 0.000 0.904 363 L HN 0.274 nan 8.230 nan 0.000 0.437 364 A N -0.503 122.343 122.820 0.044 0.000 1.948 364 A HA -0.294 3.937 4.320 -0.147 0.000 0.220 364 A C 2.426 179.983 177.584 -0.046 0.000 1.177 364 A CA 2.279 54.262 52.037 -0.090 0.000 0.636 364 A CB -0.684 18.229 19.000 -0.144 0.000 0.815 364 A HN 0.623 nan 8.150 nan 0.000 0.449 365 M N -1.045 118.552 119.600 -0.005 0.000 2.175 365 M HA -0.062 4.329 4.480 -0.147 0.000 0.264 365 M C 1.978 178.280 176.300 0.003 0.000 1.063 365 M CA 1.567 56.866 55.300 -0.001 0.000 1.119 365 M CB -0.023 32.586 32.600 0.015 0.000 1.377 365 M HN 0.267 nan 8.290 nan 0.000 0.415 366 V N 0.506 120.430 119.914 0.016 0.000 3.129 366 V HA -0.135 3.897 4.120 -0.147 0.000 0.259 366 V C 1.865 177.963 176.094 0.006 0.000 1.116 366 V CA 0.937 63.247 62.300 0.018 0.000 1.127 366 V CB -0.186 31.657 31.823 0.033 0.000 0.742 366 V HN 0.458 nan 8.190 nan 0.000 0.474 367 L N -0.162 121.058 121.223 -0.006 0.000 2.044 367 L HA -0.050 4.202 4.340 -0.147 0.000 0.205 367 L C 2.908 179.758 176.870 -0.032 0.000 1.075 367 L CA 1.942 56.770 54.840 -0.021 0.000 0.747 367 L CB -1.096 40.940 42.059 -0.038 0.000 0.903 367 L HN 0.590 nan 8.230 nan 0.000 0.435 368 H N -0.763 118.285 119.070 -0.036 0.000 2.491 368 H HA 0.099 4.566 4.556 -0.147 0.000 0.290 368 H C 2.416 177.730 175.328 -0.024 0.000 1.050 368 H CA 1.514 57.541 56.048 -0.034 0.000 1.309 368 H CB -0.641 29.100 29.762 -0.036 0.000 1.392 368 H HN 0.542 nan 8.280 nan 0.000 0.554 369 S N 0.355 116.046 115.700 -0.016 0.000 2.368 369 S HA 0.157 4.538 4.470 -0.147 0.000 0.224 369 S C 2.591 177.183 174.600 -0.015 0.000 1.029 369 S CA 2.174 60.368 58.200 -0.010 0.000 0.988 369 S CB -0.823 62.377 63.200 0.000 0.000 0.838 369 S HN 1.129 nan 8.310 nan 0.000 0.462 370 V N -0.243 119.659 119.914 -0.021 0.000 3.306 370 V HA 0.467 4.498 4.120 -0.147 0.000 0.264 370 V C 1.643 177.713 176.094 -0.040 0.000 1.149 370 V CA 1.104 63.384 62.300 -0.034 0.000 1.143 370 V CB -1.220 30.576 31.823 -0.046 0.000 0.767 370 V HN 1.385 nan 8.190 nan 0.000 0.476 371 G N 0.264 109.043 108.800 -0.036 0.000 2.270 371 G HA2 0.014 3.886 3.960 -0.147 0.000 0.224 371 G HA3 0.014 3.886 3.960 -0.147 0.000 0.224 371 G C -0.222 174.653 174.900 -0.041 0.000 1.079 371 G CA 0.049 45.127 45.100 -0.036 0.000 0.807 371 G HN 1.548 nan 8.290 nan 0.000 0.492 372 L N -2.075 119.122 121.223 -0.043 0.000 2.529 372 L HA 0.594 4.846 4.340 -0.147 0.000 0.258 372 L C -2.554 174.285 176.870 -0.051 0.000 1.032 372 L CA -2.282 52.531 54.840 -0.044 0.000 0.899 372 L CB 1.752 43.785 42.059 -0.044 0.000 1.174 372 L HN -0.088 nan 8.230 nan 0.000 0.458 373 P HA 0.266 nan 4.420 nan 0.000 0.276 373 P C 0.443 177.693 177.300 -0.084 0.000 1.252 373 P CA -0.536 62.521 63.100 -0.070 0.000 0.802 373 P CB 1.202 32.869 31.700 -0.055 0.000 1.035 374 L N 0.706 121.854 121.223 -0.125 0.000 2.622 374 L HA -0.041 4.211 4.340 -0.147 0.000 0.233 374 L C 1.954 178.783 176.870 -0.068 0.000 1.156 374 L CA 1.569 56.328 54.840 -0.136 0.000 0.866 374 L CB -1.870 40.048 42.059 -0.236 0.000 0.980 374 L HN 0.465 nan 8.230 nan 0.000 0.448 375 T N -4.853 109.669 114.554 -0.053 0.000 2.978 375 T HA 0.006 4.268 4.350 -0.147 0.000 0.262 375 T C 0.984 175.671 174.700 -0.022 0.000 1.063 375 T CA 0.648 62.729 62.100 -0.032 0.000 1.140 375 T CB -1.042 67.808 68.868 -0.030 0.000 0.886 375 T HN 0.405 nan 8.240 nan 0.000 0.470 376 D N 3.668 124.054 120.400 -0.024 0.000 2.363 376 D HA 0.337 4.889 4.640 -0.147 0.000 0.263 376 D C -1.715 174.582 176.300 -0.005 0.000 1.258 376 D CA -1.740 52.250 54.000 -0.015 0.000 0.907 376 D CB -0.041 40.748 40.800 -0.019 0.000 1.107 376 D HN 0.272 nan 8.370 nan 0.000 0.495 377 P HA -0.028 nan 4.420 nan 0.000 0.242 377 P C 0.655 177.967 177.300 0.020 0.000 1.197 377 P CA 0.442 63.549 63.100 0.012 0.000 0.765 377 P CB 0.206 31.911 31.700 0.010 0.000 0.936 378 N N -1.289 117.419 118.700 0.013 0.000 2.402 378 N HA -0.039 4.612 4.740 -0.147 0.000 0.174 378 N C 1.393 176.920 175.510 0.028 0.000 1.027 378 N CA 0.473 53.533 53.050 0.016 0.000 0.891 378 N CB -1.462 37.026 38.487 0.000 0.000 1.016 378 N HN -0.059 nan 8.380 nan 0.000 0.439 379 V N 1.312 121.240 119.914 0.023 0.000 2.307 379 V HA -0.107 3.924 4.120 -0.147 0.000 0.245 379 V C 2.573 178.722 176.094 0.092 0.000 1.045 379 V CA 1.894 64.218 62.300 0.040 0.000 1.024 379 V CB -1.125 30.700 31.823 0.002 0.000 0.651 379 V HN 0.469 nan 8.190 nan 0.000 0.449 380 A N -0.130 122.731 122.820 0.068 0.000 1.978 380 A HA -0.139 4.093 4.320 -0.147 0.000 0.220 380 A C 2.376 180.052 177.584 0.154 0.000 1.170 380 A CA 2.104 54.209 52.037 0.112 0.000 0.636 380 A CB -0.664 18.373 19.000 0.061 0.000 0.810 380 A HN 0.583 nan 8.150 nan 0.000 0.448 381 A N -0.307 122.576 122.820 0.105 0.000 1.898 381 A HA 0.228 4.460 4.320 -0.147 0.000 0.216 381 A C 2.476 180.137 177.584 0.127 0.000 1.181 381 A CA 1.887 53.981 52.037 0.095 0.000 0.620 381 A CB -0.875 18.162 19.000 0.062 0.000 0.819 381 A HN 0.980 nan 8.150 nan 0.000 0.442 382 A N -1.617 121.297 122.820 0.157 0.000 1.897 382 A HA -0.044 4.188 4.320 -0.147 0.000 0.215 382 A C 2.126 179.881 177.584 0.285 0.000 1.181 382 A CA 1.481 53.664 52.037 0.243 0.000 0.620 382 A CB -0.826 18.296 19.000 0.204 0.000 0.821 382 A HN 0.695 nan 8.150 nan 0.000 0.443 383 Y N 0.831 121.204 120.300 0.121 0.000 2.256 383 Y HA -0.110 4.369 4.550 -0.117 0.000 0.288 383 Y C 2.454 178.386 175.900 0.054 0.000 1.155 383 Y CA 1.154 59.304 58.100 0.082 0.000 1.203 383 Y CB -0.308 38.186 38.460 0.056 0.000 0.980 383 Y HN 0.295 nan 8.280 nan 0.000 0.530 384 A N -0.164 122.695 122.820 0.065 0.000 2.066 384 A HA -0.122 4.110 4.320 -0.147 0.000 0.218 384 A C 2.312 179.854 177.584 -0.071 0.000 1.157 384 A CA 1.382 53.399 52.037 -0.033 0.000 0.670 384 A CB -0.729 18.301 19.000 0.050 0.000 0.804 384 A HN 0.658 nan 8.150 nan 0.000 0.453 385 M N -0.804 118.789 119.600 -0.012 0.000 2.236 385 M HA 0.014 4.406 4.480 -0.147 0.000 0.266 385 M C 1.491 177.722 176.300 -0.114 0.000 1.070 385 M CA 1.301 56.593 55.300 -0.013 0.000 1.137 385 M CB -0.053 32.610 32.600 0.105 0.000 1.378 385 M HN 0.252 nan 8.290 nan 0.000 0.426 386 I N 0.661 121.123 120.570 -0.181 0.000 2.226 386 I HA -0.238 3.844 4.170 -0.147 0.000 0.245 386 I C 2.204 178.189 176.117 -0.221 0.000 1.100 386 I CA 1.275 62.406 61.300 -0.281 0.000 1.374 386 I CB -1.297 36.526 38.000 -0.294 0.000 1.057 386 I HN 0.348 nan 8.210 nan 0.000 0.413 387 L N 0.874 121.930 121.223 -0.279 0.000 2.191 387 L HA -0.088 4.164 4.340 -0.147 0.000 0.212 387 L C 2.431 179.197 176.870 -0.174 0.000 1.103 387 L CA 1.610 56.297 54.840 -0.255 0.000 0.769 387 L CB -1.054 40.808 42.059 -0.329 0.000 0.908 387 L HN 0.235 nan 8.230 nan 0.000 0.438 388 G N -0.216 108.484 108.800 -0.167 0.000 2.443 388 G HA2 -0.158 3.713 3.960 -0.147 0.000 0.219 388 G HA3 -0.158 3.713 3.960 -0.147 0.000 0.219 388 G C 1.192 175.990 174.900 -0.169 0.000 1.131 388 G CA 0.883 45.877 45.100 -0.177 0.000 0.775 388 G HN 0.575 nan 8.290 nan 0.000 0.547 389 I N -2.643 117.849 120.570 -0.130 0.000 3.762 389 I HA 0.470 4.552 4.170 -0.147 0.000 0.333 389 I C 0.908 176.977 176.117 -0.081 0.000 1.566 389 I CA -0.281 60.964 61.300 -0.092 0.000 1.129 389 I CB 0.937 38.904 38.000 -0.056 0.000 1.218 389 I HN -0.141 nan 8.210 nan 0.000 0.456 390 D N 2.420 122.759 120.400 -0.102 0.000 2.097 390 D HA -0.145 4.407 4.640 -0.147 0.000 0.197 390 D C 2.355 178.575 176.300 -0.133 0.000 0.984 390 D CA 1.930 55.865 54.000 -0.109 0.000 0.826 390 D CB 0.345 41.070 40.800 -0.125 0.000 0.973 390 D HN 0.449 nan 8.370 nan 0.000 0.460 391 A N 0.598 123.346 122.820 -0.120 0.000 1.948 391 A HA -0.177 4.055 4.320 -0.147 0.000 0.220 391 A C 2.236 179.744 177.584 -0.127 0.000 1.177 391 A CA 1.147 53.109 52.037 -0.125 0.000 0.636 391 A CB -0.745 18.192 19.000 -0.104 0.000 0.815 391 A HN 0.347 nan 8.150 nan 0.000 0.449 392 I N -0.172 120.347 120.570 -0.084 0.000 2.208 392 I HA -0.248 3.834 4.170 -0.147 0.000 0.245 392 I C 2.426 178.577 176.117 0.058 0.000 1.097 392 I CA 1.462 62.748 61.300 -0.024 0.000 1.363 392 I CB -1.230 36.770 38.000 0.000 0.000 1.051 392 I HN 0.330 nan 8.210 nan 0.000 0.413 393 L N -0.304 120.925 121.223 0.011 0.000 2.156 393 L HA -0.157 4.095 4.340 -0.147 0.000 0.208 393 L C 2.300 179.057 176.870 -0.189 0.000 1.095 393 L CA 0.914 55.747 54.840 -0.012 0.000 0.770 393 L CB -0.591 41.486 42.059 0.029 0.000 0.914 393 L HN 0.226 nan 8.230 nan 0.000 0.439 394 D N 0.358 120.614 120.400 -0.239 0.000 2.144 394 D HA -0.177 4.375 4.640 -0.147 0.000 0.199 394 D C 2.293 178.432 176.300 -0.268 0.000 0.984 394 D CA 1.238 55.069 54.000 -0.282 0.000 0.834 394 D CB 0.128 40.784 40.800 -0.240 0.000 0.955 394 D HN 0.246 nan 8.370 nan 0.000 0.465 395 M N -0.046 119.349 119.600 -0.341 0.000 2.084 395 M HA -0.127 4.264 4.480 -0.147 0.000 0.259 395 M C 2.442 178.476 176.300 -0.444 0.000 1.072 395 M CA 1.996 56.893 55.300 -0.671 0.000 1.107 395 M CB -0.805 31.033 32.600 -1.269 0.000 1.299 395 M HN 0.018 nan 8.290 nan 0.000 0.413 396 G N 0.088 108.798 108.800 -0.149 0.000 2.418 396 G HA2 -0.244 3.628 3.960 -0.147 0.000 0.217 396 G HA3 -0.244 3.628 3.960 -0.147 0.000 0.217 396 G C 1.540 176.389 174.900 -0.085 0.000 1.158 396 G CA 1.107 46.237 45.100 0.049 0.000 0.771 396 G HN 0.479 nan 8.290 nan 0.000 0.545 397 R N 0.030 120.414 120.500 -0.193 0.000 2.083 397 R HA -0.086 4.165 4.340 -0.147 0.000 0.237 397 R C 2.360 178.623 176.300 -0.062 0.000 1.137 397 R CA 2.120 58.139 56.100 -0.135 0.000 0.951 397 R CB -0.844 29.334 30.300 -0.204 0.000 0.851 397 R HN 0.287 nan 8.270 nan 0.000 0.434 398 T N 1.370 115.881 114.554 -0.073 0.000 2.821 398 T HA -0.128 4.133 4.350 -0.147 0.000 0.267 398 T C 1.763 176.490 174.700 0.044 0.000 1.046 398 T CA 1.389 63.472 62.100 -0.029 0.000 1.139 398 T CB -0.183 68.654 68.868 -0.052 0.000 0.871 398 T HN 0.277 nan 8.240 nan 0.000 0.454 399 M N 1.102 120.769 119.600 0.112 0.000 2.108 399 M HA -0.114 4.277 4.480 -0.147 0.000 0.261 399 M C 2.148 178.538 176.300 0.150 0.000 1.066 399 M CA 1.613 57.025 55.300 0.185 0.000 1.107 399 M CB -0.331 32.477 32.600 0.346 0.000 1.356 399 M HN 0.103 nan 8.290 nan 0.000 0.406 400 V N 1.321 121.322 119.914 0.145 0.000 2.427 400 V HA -0.263 3.769 4.120 -0.147 0.000 0.248 400 V C 2.013 178.203 176.094 0.161 0.000 1.051 400 V CA 1.644 64.057 62.300 0.189 0.000 1.048 400 V CB -1.125 30.796 31.823 0.164 0.000 0.666 400 V HN 0.512 nan 8.190 nan 0.000 0.456 401 N N 0.443 119.195 118.700 0.087 0.000 2.036 401 N HA -0.155 4.497 4.740 -0.147 0.000 0.195 401 N C 1.774 177.304 175.510 0.033 0.000 1.037 401 N CA 1.630 54.708 53.050 0.047 0.000 0.855 401 N CB -0.596 37.894 38.487 0.004 0.000 1.033 401 N HN 0.355 nan 8.380 nan 0.000 0.423 402 V N 0.879 120.817 119.914 0.039 0.000 2.427 402 V HA -0.154 3.878 4.120 -0.147 0.000 0.248 402 V C 2.164 178.275 176.094 0.028 0.000 1.051 402 V CA 1.639 63.957 62.300 0.030 0.000 1.048 402 V CB -0.893 30.954 31.823 0.040 0.000 0.666 402 V HN 0.343 nan 8.190 nan 0.000 0.456 403 T N 0.521 115.095 114.554 0.033 0.000 2.720 403 T HA -0.144 4.118 4.350 -0.147 0.000 0.268 403 T C 1.933 176.492 174.700 -0.235 0.000 1.037 403 T CA 1.587 63.673 62.100 -0.023 0.000 1.144 403 T CB -0.642 68.248 68.868 0.036 0.000 0.864 403 T HN 0.623 nan 8.240 nan 0.000 0.444 404 G N 1.668 110.335 108.800 -0.222 0.000 2.442 404 G HA2 -0.242 3.630 3.960 -0.147 0.000 0.219 404 G HA3 -0.242 3.630 3.960 -0.147 0.000 0.219 404 G C 1.261 176.235 174.900 0.122 0.000 1.141 404 G CA 1.033 46.070 45.100 -0.105 0.000 0.763 404 G HN 0.400 nan 8.290 nan 0.000 0.554 405 D N 0.615 121.064 120.400 0.081 0.000 2.084 405 D HA -0.079 4.472 4.640 -0.147 0.000 0.194 405 D C 2.652 179.026 176.300 0.124 0.000 0.990 405 D CA 0.538 54.622 54.000 0.141 0.000 0.826 405 D CB -0.489 40.348 40.800 0.063 0.000 0.971 405 D HN 0.294 nan 8.370 nan 0.000 0.453 406 L N 0.671 121.953 121.223 0.097 0.000 2.017 406 L HA -0.169 4.083 4.340 -0.147 0.000 0.208 406 L C 2.550 179.546 176.870 0.209 0.000 1.073 406 L CA 1.349 56.281 54.840 0.153 0.000 0.745 406 L CB -0.759 41.383 42.059 0.138 0.000 0.894 406 L HN 0.059 nan 8.230 nan 0.000 0.432 407 T N -0.364 114.259 114.554 0.115 0.000 2.665 407 T HA -0.189 4.072 4.350 -0.147 0.000 0.268 407 T C 1.801 176.288 174.700 -0.355 0.000 1.035 407 T CA 1.488 63.443 62.100 -0.242 0.000 1.151 407 T CB -0.733 67.915 68.868 -0.367 0.000 0.862 407 T HN 0.585 nan 8.240 nan 0.000 0.438 408 G N 1.056 109.581 108.800 -0.458 0.000 2.418 408 G HA2 -0.223 3.649 3.960 -0.147 0.000 0.217 408 G HA3 -0.223 3.649 3.960 -0.147 0.000 0.217 408 G C 1.733 176.291 174.900 -0.570 0.000 1.158 408 G CA 1.487 45.913 45.100 -1.123 0.000 0.771 408 G HN 0.474 nan 8.290 nan 0.000 0.545 409 T N 1.765 116.184 114.554 -0.225 0.000 2.708 409 T HA 0.010 4.272 4.350 -0.147 0.000 0.266 409 T C 2.841 177.483 174.700 -0.098 0.000 1.037 409 T CA 1.617 63.656 62.100 -0.101 0.000 1.146 409 T CB -0.490 68.395 68.868 0.030 0.000 0.865 409 T HN 0.377 nan 8.240 nan 0.000 0.435 410 A N 1.227 124.011 122.820 -0.061 0.000 1.873 410 A HA -0.092 4.139 4.320 -0.147 0.000 0.218 410 A C 2.324 179.820 177.584 -0.147 0.000 1.193 410 A CA 1.531 53.544 52.037 -0.039 0.000 0.629 410 A CB -0.932 18.108 19.000 0.067 0.000 0.826 410 A HN 0.515 nan 8.150 nan 0.000 0.447 411 I N -0.610 119.781 120.570 -0.299 0.000 2.142 411 I HA -0.222 3.859 4.170 -0.147 0.000 0.240 411 I C 2.374 178.286 176.117 -0.341 0.000 1.078 411 I CA 1.339 62.382 61.300 -0.430 0.000 1.343 411 I CB -0.316 37.256 38.000 -0.713 0.000 1.046 411 I HN 0.170 nan 8.210 nan 0.000 0.405 412 V N 0.911 120.634 119.914 -0.319 0.000 2.427 412 V HA -0.267 3.764 4.120 -0.147 0.000 0.248 412 V C 2.676 178.716 176.094 -0.091 0.000 1.051 412 V CA 1.849 64.033 62.300 -0.193 0.000 1.048 412 V CB -1.007 30.699 31.823 -0.195 0.000 0.666 412 V HN 0.495 nan 8.190 nan 0.000 0.456 413 A N -0.401 122.375 122.820 -0.072 0.000 1.940 413 A HA -0.276 3.956 4.320 -0.147 0.000 0.219 413 A C 2.349 179.927 177.584 -0.010 0.000 1.176 413 A CA 2.218 54.243 52.037 -0.019 0.000 0.631 413 A CB -0.447 18.558 19.000 0.007 0.000 0.814 413 A HN 0.509 nan 8.150 nan 0.000 0.446 414 K N -0.900 119.490 120.400 -0.017 0.000 2.155 414 K HA -0.079 4.152 4.320 -0.147 0.000 0.203 414 K C 1.877 178.503 176.600 0.043 0.000 1.052 414 K CA 1.486 57.783 56.287 0.017 0.000 0.948 414 K CB -0.148 32.372 32.500 0.034 0.000 0.728 414 K HN 0.536 nan 8.250 nan 0.000 0.448 415 T N 0.327 114.908 114.554 0.044 0.000 2.821 415 T HA -0.121 4.141 4.350 -0.147 0.000 0.267 415 T C 0.905 175.626 174.700 0.035 0.000 1.046 415 T CA 0.932 63.074 62.100 0.069 0.000 1.139 415 T CB -0.102 68.807 68.868 0.069 0.000 0.871 415 T HN 0.234 nan 8.240 nan 0.000 0.454 416 E N 0.000 120.209 120.200 0.014 0.000 2.725 416 E HA 0.000 4.262 4.350 -0.147 0.000 0.291 416 E CA 0.000 56.404 56.400 0.007 0.000 0.976 416 E CB 0.000 29.699 29.700 -0.001 0.000 0.812 416 E HN 0.000 nan 8.360 nan 0.000 0.440