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 2y3p_1_A DATA FIRST_RESID 23 DATA SEQUENCE DYAMSVIVGR ALPDVRDGLK PVHRRVLYAM NVLGNDWNKA YKKSARVVGD DATA SEQUENCE VIGKYHPHGD SAVYDTIVRM AQPFSLRYML VDGQGNFGSI DGDSAAAMRY DATA SEQUENCE TEIRLAKIAH ELMADLEKET VDFVDNYDGT EKIPDVMPTK IPNLLVNGSS DATA SEQUENCE GIAVGMATNI PPHNLTEVIN GCLAYIDDED ISIEGLMEHI PGPDFPTAAI DATA SEQUENCE INGRRGIEEA YRTGRGKVYI RARAEVEVDA KTGRETIIVH EIPYQVNKAR DATA SEQUENCE LIEKIAELVK EKRVEGISAL RDESDKDGMR IVIEVKRDAV GEVVLNNLYS DATA SEQUENCE QTQLQVSFGI NMVALHHGQP KIMNLKDIIA AFVRHRREVV TRRTIFELRK DATA SEQUENCE ARDRAHILEA LAVALANIDP IIELIRHAPT PAEAKTALVA NPWQLGNVAA DATA SEQUENCE MLEXXXXDAA RPEWLEPEFG VRDGLYYLTE QQAQAILDLR LQKLTGLEHE DATA SEQUENCE KLLDEYKELL DQIAELLRIL GSADRLMEVI REELELVREQ FGDKRRTEIT 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 23 D HA 0.000 nan 4.640 nan 0.000 0.175 23 D C 0.000 176.344 176.300 0.073 0.000 2.045 23 D CA 0.000 54.036 54.000 0.061 0.000 0.868 23 D CB 0.000 40.840 40.800 0.067 0.000 0.688 24 Y N 2.484 122.784 120.300 0.000 0.000 2.114 24 Y HA -0.057 4.492 4.550 -0.001 0.000 0.282 24 Y C 2.148 178.047 175.900 -0.003 0.000 1.165 24 Y CA 3.518 61.618 58.100 0.000 0.000 1.148 24 Y CB -0.770 37.691 38.460 0.002 0.000 0.972 24 Y HN 0.108 nan 8.280 nan 0.000 0.504 25 A N 0.681 123.368 122.820 -0.222 0.000 1.971 25 A HA -0.325 3.995 4.320 -0.000 0.000 0.222 25 A C 2.272 179.717 177.584 -0.231 0.000 1.182 25 A CA 2.445 54.317 52.037 -0.274 0.000 0.649 25 A CB -1.007 17.960 19.000 -0.056 0.000 0.818 25 A HN 0.665 nan 8.150 nan 0.000 0.458 26 M N 0.853 120.372 119.600 -0.135 0.000 2.091 26 M HA -0.153 4.326 4.480 -0.000 0.000 0.259 26 M C 2.513 178.740 176.300 -0.122 0.000 1.076 26 M CA 2.613 57.855 55.300 -0.097 0.000 1.111 26 M CB -0.902 31.671 32.600 -0.045 0.000 1.291 26 M HN 0.611 nan 8.290 nan 0.000 0.417 27 S N -0.764 114.865 115.700 -0.118 0.000 2.389 27 S HA -0.184 4.286 4.470 -0.000 0.000 0.231 27 S C 1.891 176.395 174.600 -0.161 0.000 1.052 27 S CA 2.019 60.154 58.200 -0.108 0.000 1.053 27 S CB -1.639 61.526 63.200 -0.059 0.000 0.886 27 S HN 0.381 nan 8.310 nan 0.000 0.456 28 V N 2.790 122.527 119.914 -0.295 0.000 2.270 28 V HA -0.096 4.024 4.120 -0.000 0.000 0.245 28 V C 3.255 179.241 176.094 -0.180 0.000 1.043 28 V CA 1.789 63.922 62.300 -0.277 0.000 1.014 28 V CB -1.493 30.059 31.823 -0.451 0.000 0.645 28 V HN 0.723 nan 8.190 nan 0.000 0.447 29 I N -0.242 120.225 120.570 -0.173 0.000 2.145 29 I HA -0.228 3.942 4.170 -0.000 0.000 0.244 29 I C 2.580 178.643 176.117 -0.090 0.000 1.075 29 I CA 2.759 63.990 61.300 -0.114 0.000 1.332 29 I CB -1.300 36.643 38.000 -0.095 0.000 1.033 29 I HN 0.185 nan 8.210 nan 0.000 0.410 30 V N 1.203 121.064 119.914 -0.087 0.000 2.295 30 V HA -0.170 3.949 4.120 -0.000 0.000 0.246 30 V C 2.988 179.046 176.094 -0.061 0.000 1.049 30 V CA 2.316 64.578 62.300 -0.063 0.000 1.024 30 V CB -1.365 30.428 31.823 -0.051 0.000 0.648 30 V HN 0.770 nan 8.190 nan 0.000 0.447 31 G N -0.833 107.926 108.800 -0.068 0.000 2.440 31 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.218 31 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.218 31 G C 1.736 176.599 174.900 -0.062 0.000 1.154 31 G CA 0.961 46.026 45.100 -0.057 0.000 0.767 31 G HN 0.407 nan 8.290 nan 0.000 0.552 32 R N 0.272 120.730 120.500 -0.070 0.000 2.081 32 R HA 0.035 4.374 4.340 -0.000 0.000 0.235 32 R C 2.570 178.819 176.300 -0.084 0.000 1.131 32 R CA 1.442 57.501 56.100 -0.070 0.000 0.960 32 R CB -0.170 30.084 30.300 -0.075 0.000 0.856 32 R HN 0.350 nan 8.270 nan 0.000 0.436 33 A N -0.199 122.577 122.820 -0.074 0.000 2.252 33 A HA 0.181 4.500 4.320 -0.000 0.000 0.213 33 A C 0.445 177.995 177.584 -0.057 0.000 1.188 33 A CA -0.332 51.665 52.037 -0.067 0.000 0.863 33 A CB 0.361 19.332 19.000 -0.048 0.000 0.893 33 A HN 0.210 nan 8.150 nan 0.000 0.495 34 L N 2.154 123.345 121.223 -0.055 0.000 2.289 34 L HA 0.424 4.764 4.340 -0.000 0.000 0.285 34 L C -2.354 174.493 176.870 -0.039 0.000 1.049 34 L CA -2.106 52.712 54.840 -0.036 0.000 0.804 34 L CB 1.459 43.499 42.059 -0.032 0.000 1.195 34 L HN 0.002 nan 8.230 nan 0.000 0.428 35 P HA 0.037 nan 4.420 nan 0.000 0.276 35 P C -1.108 176.177 177.300 -0.026 0.000 1.230 35 P CA -0.360 62.735 63.100 -0.008 0.000 0.776 35 P CB 0.874 32.588 31.700 0.023 0.000 0.888 36 D N 2.741 123.116 120.400 -0.041 0.000 2.417 36 D HA -0.052 4.588 4.640 -0.000 0.000 0.250 36 D C 1.256 177.518 176.300 -0.063 0.000 1.166 36 D CA -0.084 53.879 54.000 -0.061 0.000 0.881 36 D CB 1.525 42.273 40.800 -0.087 0.000 1.164 36 D HN 0.028 nan 8.370 nan 0.000 0.467 37 V N 6.451 126.330 119.914 -0.059 0.000 2.332 37 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 37 V C 2.347 178.398 176.094 -0.072 0.000 1.055 37 V CA 1.750 64.013 62.300 -0.062 0.000 1.038 37 V CB -0.233 31.550 31.823 -0.067 0.000 0.651 37 V HN 0.589 nan 8.190 nan 0.000 0.450 38 R N 1.252 121.679 120.500 -0.121 0.000 2.097 38 R HA -0.173 4.167 4.340 -0.000 0.000 0.236 38 R C 1.823 178.051 176.300 -0.121 0.000 1.135 38 R CA 2.051 58.026 56.100 -0.209 0.000 0.934 38 R CB -0.829 29.100 30.300 -0.619 0.000 0.846 38 R HN 0.799 nan 8.270 nan 0.000 0.431 39 D N -1.869 118.449 120.400 -0.136 0.000 2.398 39 D HA 0.104 4.744 4.640 -0.000 0.000 0.210 39 D C 1.126 177.407 176.300 -0.033 0.000 1.094 39 D CA 0.596 54.565 54.000 -0.052 0.000 0.839 39 D CB 0.574 41.339 40.800 -0.058 0.000 0.963 39 D HN 0.378 nan 8.370 nan 0.000 0.506 40 G N 0.293 109.072 108.800 -0.034 0.000 2.179 40 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.260 40 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.260 40 G C 0.032 174.964 174.900 0.053 0.000 0.977 40 G CA 0.527 45.624 45.100 -0.005 0.000 0.641 40 G HN 0.411 nan 8.290 nan 0.000 0.533 41 L N 0.220 121.476 121.223 0.055 0.000 2.357 41 L HA 0.543 4.883 4.340 -0.000 0.000 0.273 41 L C 0.859 177.758 176.870 0.049 0.000 1.080 41 L CA -0.933 54.002 54.840 0.159 0.000 0.803 41 L CB 1.089 43.215 42.059 0.111 0.000 1.174 41 L HN 0.003 nan 8.230 nan 0.000 0.443 42 K N 2.263 122.612 120.400 -0.086 0.000 2.126 42 K HA 0.204 4.524 4.320 -0.000 0.000 0.257 42 K C -1.665 174.784 176.600 -0.252 0.000 1.007 42 K CA -1.454 54.642 56.287 -0.317 0.000 0.928 42 K CB 0.672 32.787 32.500 -0.641 0.000 1.013 42 K HN 0.217 nan 8.250 nan 0.000 0.473 43 P HA -0.258 nan 4.420 nan 0.000 0.216 43 P C 1.364 178.623 177.300 -0.068 0.000 1.157 43 P CA 0.914 63.967 63.100 -0.079 0.000 0.880 43 P CB 0.161 31.843 31.700 -0.028 0.000 0.791 44 V N -1.055 118.778 119.914 -0.135 0.000 2.490 44 V HA -0.299 3.821 4.120 -0.000 0.000 0.250 44 V C 2.103 178.181 176.094 -0.026 0.000 1.061 44 V CA 1.991 64.204 62.300 -0.145 0.000 1.064 44 V CB -1.072 30.602 31.823 -0.248 0.000 0.670 44 V HN 0.238 nan 8.190 nan 0.000 0.461 45 H N -0.516 118.531 119.070 -0.039 0.000 2.293 45 H HA -0.195 4.361 4.556 -0.000 0.000 0.300 45 H C 2.551 177.869 175.328 -0.017 0.000 1.082 45 H CA 1.802 57.834 56.048 -0.026 0.000 1.308 45 H CB -0.053 29.695 29.762 -0.024 0.000 1.375 45 H HN 0.267 nan 8.280 nan 0.000 0.495 46 R N 1.100 121.656 120.500 0.094 0.000 2.081 46 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 46 R C 2.408 178.724 176.300 0.026 0.000 1.131 46 R CA 1.184 57.301 56.100 0.028 0.000 0.960 46 R CB 0.042 30.317 30.300 -0.042 0.000 0.856 46 R HN 0.212 nan 8.270 nan 0.000 0.436 47 R N -0.684 119.828 120.500 0.020 0.000 2.091 47 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 47 R C 2.207 178.577 176.300 0.116 0.000 1.136 47 R CA 1.736 57.856 56.100 0.032 0.000 0.959 47 R CB -0.319 30.050 30.300 0.116 0.000 0.856 47 R HN 0.099 nan 8.270 nan 0.000 0.437 48 V N 1.125 121.106 119.914 0.112 0.000 2.270 48 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 48 V C 2.223 178.386 176.094 0.116 0.000 1.043 48 V CA 1.629 64.007 62.300 0.130 0.000 1.014 48 V CB -0.380 31.503 31.823 0.101 0.000 0.645 48 V HN 0.275 nan 8.190 nan 0.000 0.447 49 L N -1.209 120.068 121.223 0.090 0.000 2.131 49 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 49 L C 2.477 179.405 176.870 0.096 0.000 1.092 49 L CA 1.761 56.639 54.840 0.064 0.000 0.759 49 L CB -0.682 41.399 42.059 0.036 0.000 0.903 49 L HN 0.419 nan 8.230 nan 0.000 0.435 50 Y N 0.691 120.979 120.300 -0.021 0.000 2.242 50 Y HA -0.202 4.348 4.550 -0.000 0.000 0.291 50 Y C 2.436 178.372 175.900 0.060 0.000 1.137 50 Y CA 0.913 58.997 58.100 -0.026 0.000 1.181 50 Y CB -0.278 38.102 38.460 -0.134 0.000 0.989 50 Y HN 0.091 nan 8.280 nan 0.000 0.527 51 A N 0.398 123.254 122.820 0.060 0.000 1.877 51 A HA -0.213 4.106 4.320 -0.000 0.000 0.216 51 A C 2.329 179.919 177.584 0.010 0.000 1.186 51 A CA 2.079 54.187 52.037 0.118 0.000 0.620 51 A CB -0.789 18.388 19.000 0.296 0.000 0.822 51 A HN 0.555 nan 8.150 nan 0.000 0.443 52 M N -0.995 118.624 119.600 0.032 0.000 2.117 52 M HA -0.173 4.307 4.480 -0.000 0.000 0.262 52 M C 2.142 178.435 176.300 -0.012 0.000 1.065 52 M CA 1.950 57.265 55.300 0.025 0.000 1.114 52 M CB -0.532 32.089 32.600 0.034 0.000 1.361 52 M HN 0.623 nan 8.290 nan 0.000 0.408 53 N N 0.228 118.898 118.700 -0.050 0.000 2.084 53 N HA -0.137 4.603 4.740 -0.000 0.000 0.190 53 N C 1.396 176.852 175.510 -0.090 0.000 1.030 53 N CA 1.319 54.338 53.050 -0.052 0.000 0.849 53 N CB 0.010 38.476 38.487 -0.036 0.000 1.012 53 N HN 0.050 nan 8.380 nan 0.000 0.423 54 V N 0.759 120.537 119.914 -0.226 0.000 2.295 54 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 54 V C 2.119 178.172 176.094 -0.069 0.000 1.049 54 V CA 1.296 63.477 62.300 -0.197 0.000 1.024 54 V CB -0.549 31.100 31.823 -0.290 0.000 0.648 54 V HN 0.397 nan 8.190 nan 0.000 0.447 55 L N 0.515 121.715 121.223 -0.039 0.000 2.549 55 L HA 0.033 4.373 4.340 -0.000 0.000 0.230 55 L C 1.783 178.659 176.870 0.010 0.000 1.162 55 L CA 0.925 55.764 54.840 -0.003 0.000 0.834 55 L CB -0.913 41.156 42.059 0.016 0.000 0.947 55 L HN 0.623 nan 8.230 nan 0.000 0.452 56 G N 0.436 109.246 108.800 0.016 0.000 2.203 56 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.263 56 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.263 56 G C 0.378 175.309 174.900 0.051 0.000 1.012 56 G CA 0.503 45.627 45.100 0.040 0.000 0.749 56 G HN 0.633 nan 8.290 nan 0.000 0.512 57 N N 0.806 119.538 118.700 0.054 0.000 3.167 57 N HA 0.077 4.817 4.740 -0.000 0.000 0.318 57 N C -0.393 175.174 175.510 0.094 0.000 1.268 57 N CA -0.284 52.801 53.050 0.057 0.000 1.197 57 N CB -0.031 38.493 38.487 0.061 0.000 1.464 57 N HN 0.332 nan 8.380 nan 0.000 0.555 58 D N 0.672 121.140 120.400 0.113 0.000 2.339 58 D HA -0.080 4.560 4.640 -0.000 0.000 0.245 58 D C 1.506 177.889 176.300 0.139 0.000 1.115 58 D CA -0.469 53.690 54.000 0.264 0.000 0.917 58 D CB 0.375 41.244 40.800 0.115 0.000 1.192 58 D HN 0.472 nan 8.370 nan 0.000 0.428 59 W N 2.701 124.171 121.300 0.283 0.000 2.359 59 W HA -0.189 4.471 4.660 -0.000 0.000 0.275 59 W C 0.211 176.706 176.519 -0.040 0.000 1.217 59 W CA 0.956 58.361 57.345 0.100 0.000 1.196 59 W CB -0.805 28.758 29.460 0.172 0.000 1.129 59 W HN 0.482 nan 8.180 nan 0.000 0.566 60 N N -0.204 117.764 118.700 -1.221 0.000 2.351 60 N HA 0.181 4.921 4.740 -0.000 0.000 0.254 60 N C -0.101 175.046 175.510 -0.605 0.000 1.241 60 N CA -0.465 51.842 53.050 -1.239 0.000 0.883 60 N CB 0.291 37.665 38.487 -1.856 0.000 1.202 60 N HN -0.071 nan 8.380 nan 0.000 0.512 61 K N 0.364 120.522 120.400 -0.403 0.000 2.346 61 K HA 0.568 4.887 4.320 -0.000 0.000 0.238 61 K C -0.393 176.074 176.600 -0.222 0.000 1.039 61 K CA -0.939 55.200 56.287 -0.246 0.000 0.861 61 K CB 1.891 34.299 32.500 -0.155 0.000 1.278 61 K HN 0.099 nan 8.250 nan 0.000 0.460 62 A N 0.867 123.609 122.820 -0.130 0.000 2.531 62 A HA 0.060 4.379 4.320 -0.000 0.000 0.236 62 A C -0.658 176.899 177.584 -0.046 0.000 1.062 62 A CA 0.255 52.247 52.037 -0.074 0.000 0.760 62 A CB -0.431 18.569 19.000 -0.000 0.000 0.995 62 A HN 0.491 nan 8.150 nan 0.000 0.501 63 Y N 1.126 121.443 120.300 0.028 0.000 2.683 63 Y HA 0.165 4.715 4.550 -0.001 0.000 0.340 63 Y C 1.102 177.036 175.900 0.057 0.000 1.245 63 Y CA 1.232 59.365 58.100 0.055 0.000 1.485 63 Y CB 0.601 39.106 38.460 0.074 0.000 1.328 63 Y HN 0.573 nan 8.280 nan 0.000 0.603 64 K N 1.827 122.379 120.400 0.253 0.000 2.267 64 K HA 0.363 4.683 4.320 -0.000 0.000 0.246 64 K C -0.807 175.894 176.600 0.168 0.000 0.954 64 K CA -1.327 55.058 56.287 0.163 0.000 0.824 64 K CB 1.880 34.449 32.500 0.116 0.000 1.167 64 K HN 0.395 nan 8.250 nan 0.000 0.431 65 K N 0.398 120.866 120.400 0.113 0.000 2.326 65 K HA 0.066 4.386 4.320 -0.000 0.000 0.275 65 K C 0.703 177.356 176.600 0.088 0.000 1.018 65 K CA 0.245 56.585 56.287 0.088 0.000 0.962 65 K CB 0.800 33.321 32.500 0.034 0.000 0.953 65 K HN 0.493 nan 8.250 nan 0.000 0.475 66 S N 2.088 117.850 115.700 0.104 0.000 2.383 66 S HA -0.243 4.227 4.470 -0.000 0.000 0.229 66 S C 1.859 176.479 174.600 0.033 0.000 1.030 66 S CA 1.378 59.661 58.200 0.138 0.000 1.002 66 S CB -0.305 63.051 63.200 0.261 0.000 0.829 66 S HN 0.760 nan 8.310 nan 0.000 0.467 67 A N 1.738 124.516 122.820 -0.069 0.000 1.986 67 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 67 A C 2.088 179.654 177.584 -0.030 0.000 1.171 67 A CA 1.946 53.923 52.037 -0.100 0.000 0.640 67 A CB -0.563 18.354 19.000 -0.138 0.000 0.811 67 A HN 0.453 nan 8.150 nan 0.000 0.451 68 R N -0.813 119.688 120.500 0.002 0.000 2.148 68 R HA -0.016 4.323 4.340 -0.000 0.000 0.223 68 R C 1.658 177.980 176.300 0.037 0.000 1.088 68 R CA 1.447 57.556 56.100 0.015 0.000 0.985 68 R CB -0.215 30.100 30.300 0.025 0.000 0.880 68 R HN 0.312 nan 8.270 nan 0.000 0.451 69 V N -0.667 119.286 119.914 0.064 0.000 2.446 69 V HA -0.117 4.003 4.120 -0.000 0.000 0.244 69 V C 2.149 178.299 176.094 0.094 0.000 1.039 69 V CA 1.101 63.455 62.300 0.090 0.000 1.045 69 V CB 0.099 31.993 31.823 0.119 0.000 0.681 69 V HN 0.125 nan 8.190 nan 0.000 0.459 70 V N 1.357 121.323 119.914 0.087 0.000 2.324 70 V HA -0.240 3.880 4.120 -0.000 0.000 0.250 70 V C 2.621 178.747 176.094 0.053 0.000 1.060 70 V CA 2.416 64.765 62.300 0.081 0.000 1.042 70 V CB -1.397 30.446 31.823 0.034 0.000 0.650 70 V HN 0.614 nan 8.190 nan 0.000 0.450 71 G N -0.931 107.882 108.800 0.021 0.000 2.402 71 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.216 71 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.216 71 G C 1.267 176.171 174.900 0.006 0.000 1.162 71 G CA 1.063 46.166 45.100 0.004 0.000 0.777 71 G HN 0.536 nan 8.290 nan 0.000 0.539 72 D N -0.291 120.116 120.400 0.012 0.000 2.097 72 D HA -0.102 4.538 4.640 -0.000 0.000 0.195 72 D C 2.722 179.009 176.300 -0.021 0.000 0.989 72 D CA 1.013 55.007 54.000 -0.011 0.000 0.827 72 D CB -0.018 40.796 40.800 0.023 0.000 0.966 72 D HN 0.135 nan 8.370 nan 0.000 0.456 73 V N 0.455 120.419 119.914 0.084 0.000 2.343 73 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 73 V C 2.350 178.532 176.094 0.147 0.000 1.051 73 V CA 1.154 63.567 62.300 0.189 0.000 1.036 73 V CB -0.360 31.607 31.823 0.239 0.000 0.654 73 V HN 0.299 nan 8.190 nan 0.000 0.451 74 I N 0.648 121.275 120.570 0.095 0.000 2.226 74 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 74 I C 2.545 178.665 176.117 0.005 0.000 1.100 74 I CA 1.755 63.090 61.300 0.059 0.000 1.374 74 I CB -0.774 37.246 38.000 0.034 0.000 1.057 74 I HN 0.409 nan 8.210 nan 0.000 0.413 75 G N 0.685 109.482 108.800 -0.005 0.000 2.402 75 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 75 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 75 G C 1.724 176.656 174.900 0.054 0.000 1.162 75 G CA 0.507 45.615 45.100 0.012 0.000 0.777 75 G HN 0.332 nan 8.290 nan 0.000 0.539 76 K N -1.251 119.058 120.400 -0.151 0.000 2.276 76 K HA 0.186 4.506 4.320 -0.000 0.000 0.198 76 K C 1.351 177.843 176.600 -0.180 0.000 1.052 76 K CA 0.571 56.642 56.287 -0.360 0.000 0.984 76 K CB 0.284 32.255 32.500 -0.881 0.000 0.836 76 K HN 0.444 nan 8.250 nan 0.000 0.490 77 Y N -1.799 118.691 120.300 0.317 0.000 2.437 77 Y HA 0.236 4.786 4.550 0.000 0.000 0.266 77 Y C 0.154 176.224 175.900 0.283 0.000 1.077 77 Y CA -0.456 57.839 58.100 0.325 0.000 1.235 77 Y CB 0.516 39.145 38.460 0.283 0.000 1.303 77 Y HN 0.004 nan 8.280 nan 0.000 0.536 78 H N 1.341 120.501 119.070 0.150 0.000 2.600 78 H HA 0.336 4.892 4.556 -0.000 0.000 0.224 78 H C -2.689 172.530 175.328 -0.182 0.000 1.413 78 H CA -1.923 54.156 56.048 0.052 0.000 1.401 78 H CB 1.090 30.960 29.762 0.181 0.000 1.772 78 H HN -0.179 nan 8.280 nan 0.000 0.528 79 P HA 0.073 nan 4.420 nan 0.000 0.243 79 P C -0.473 176.437 177.300 -0.649 0.000 1.668 79 P CA 0.132 62.829 63.100 -0.673 0.000 0.898 79 P CB -0.234 30.848 31.700 -1.030 0.000 1.637 80 H N -1.390 117.547 119.070 -0.222 0.000 2.544 80 H HA 0.296 4.852 4.556 -0.000 0.000 0.342 80 H C 1.615 176.926 175.328 -0.028 0.000 1.185 80 H CA -0.464 55.500 56.048 -0.140 0.000 1.264 80 H CB 0.909 30.564 29.762 -0.177 0.000 1.607 80 H HN -0.016 nan 8.280 nan 0.000 0.550 81 G N 0.888 109.746 108.800 0.097 0.000 2.422 81 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.218 81 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.218 81 G C 0.097 175.056 174.900 0.098 0.000 1.146 81 G CA 0.485 45.627 45.100 0.071 0.000 0.769 81 G HN 0.807 nan 8.290 nan 0.000 0.547 82 D N 1.437 121.913 120.400 0.126 0.000 2.752 82 D HA -0.040 4.600 4.640 -0.000 0.000 0.225 82 D C 1.497 177.876 176.300 0.131 0.000 1.104 82 D CA 0.724 54.797 54.000 0.120 0.000 0.832 82 D CB 0.312 41.188 40.800 0.126 0.000 1.161 82 D HN 0.270 nan 8.370 nan 0.000 0.505 83 S N 1.571 117.334 115.700 0.106 0.000 2.559 83 S HA -0.138 4.332 4.470 -0.000 0.000 0.250 83 S C 1.906 176.582 174.600 0.127 0.000 0.977 83 S CA 0.376 58.651 58.200 0.125 0.000 0.958 83 S CB -0.475 62.794 63.200 0.115 0.000 0.751 83 S HN 0.708 nan 8.310 nan 0.000 0.534 84 A N 1.808 124.694 122.820 0.109 0.000 1.940 84 A HA -0.107 4.213 4.320 -0.000 0.000 0.221 84 A C 2.355 179.969 177.584 0.050 0.000 1.190 84 A CA 2.155 54.234 52.037 0.070 0.000 0.647 84 A CB -1.270 17.768 19.000 0.064 0.000 0.821 84 A HN 0.520 nan 8.150 nan 0.000 0.457 85 V N -1.841 118.117 119.914 0.073 0.000 2.261 85 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 85 V C 2.367 178.554 176.094 0.156 0.000 1.047 85 V CA 2.135 64.478 62.300 0.072 0.000 1.015 85 V CB -1.077 30.813 31.823 0.112 0.000 0.642 85 V HN 0.684 nan 8.190 nan 0.000 0.446 86 Y N 1.561 121.888 120.300 0.045 0.000 2.242 86 Y HA -0.187 4.363 4.550 0.000 0.000 0.291 86 Y C 2.340 178.277 175.900 0.061 0.000 1.137 86 Y CA 1.491 59.622 58.100 0.051 0.000 1.181 86 Y CB -0.545 37.934 38.460 0.032 0.000 0.989 86 Y HN 0.362 nan 8.280 nan 0.000 0.527 87 D N -0.965 119.427 120.400 -0.013 0.000 2.149 87 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 87 D C 2.084 178.349 176.300 -0.058 0.000 0.990 87 D CA 1.973 55.927 54.000 -0.077 0.000 0.839 87 D CB -0.529 40.273 40.800 0.003 0.000 0.948 87 D HN 0.341 nan 8.370 nan 0.000 0.460 88 T N 1.018 115.572 114.554 -0.000 0.000 2.737 88 T HA -0.052 4.298 4.350 -0.000 0.000 0.265 88 T C 2.242 176.933 174.700 -0.016 0.000 1.038 88 T CA 0.453 62.565 62.100 0.020 0.000 1.144 88 T CB -0.197 68.719 68.868 0.080 0.000 0.866 88 T HN 0.150 nan 8.240 nan 0.000 0.434 89 I N 0.797 121.370 120.570 0.004 0.000 2.208 89 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 89 I C 2.442 178.558 176.117 -0.002 0.000 1.097 89 I CA 1.036 62.356 61.300 0.033 0.000 1.363 89 I CB -0.410 37.669 38.000 0.131 0.000 1.051 89 I HN 0.097 nan 8.210 nan 0.000 0.413 90 V N 0.568 120.425 119.914 -0.094 0.000 2.358 90 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 90 V C 2.535 178.611 176.094 -0.031 0.000 1.047 90 V CA 1.786 64.085 62.300 -0.002 0.000 1.035 90 V CB -0.660 31.053 31.823 -0.183 0.000 0.658 90 V HN 0.357 nan 8.190 nan 0.000 0.452 91 R N -0.744 119.710 120.500 -0.077 0.000 2.090 91 R HA -0.003 4.336 4.340 -0.000 0.000 0.228 91 R C 2.253 178.465 176.300 -0.147 0.000 1.110 91 R CA 1.240 57.274 56.100 -0.109 0.000 0.973 91 R CB -0.290 29.966 30.300 -0.074 0.000 0.869 91 R HN 0.426 nan 8.270 nan 0.000 0.440 92 M N -0.181 119.342 119.600 -0.128 0.000 2.530 92 M HA -0.101 4.379 4.480 -0.000 0.000 0.261 92 M C 1.789 177.994 176.300 -0.159 0.000 1.067 92 M CA 1.156 56.375 55.300 -0.136 0.000 1.071 92 M CB 0.066 32.601 32.600 -0.109 0.000 1.405 92 M HN 0.187 nan 8.290 nan 0.000 0.478 93 A N -0.776 121.923 122.820 -0.202 0.000 2.343 93 A HA 0.126 4.446 4.320 -0.000 0.000 0.223 93 A C 0.628 178.013 177.584 -0.332 0.000 1.214 93 A CA -0.169 51.680 52.037 -0.314 0.000 0.900 93 A CB 0.174 18.836 19.000 -0.563 0.000 0.942 93 A HN 0.401 nan 8.150 nan 0.000 0.507 94 Q N 0.423 120.006 119.800 -0.361 0.000 2.314 94 Q HA 0.228 4.568 4.340 -0.000 0.000 0.257 94 Q C -1.942 173.720 176.000 -0.563 0.000 0.975 94 Q CA -2.082 53.350 55.803 -0.618 0.000 0.933 94 Q CB 1.208 29.299 28.738 -1.077 0.000 1.195 94 Q HN 0.149 nan 8.270 nan 0.000 0.426 95 P HA -0.165 nan 4.420 nan 0.000 0.225 95 P C 0.217 177.470 177.300 -0.078 0.000 1.148 95 P CA 1.053 64.055 63.100 -0.162 0.000 0.779 95 P CB 0.073 31.756 31.700 -0.029 0.000 0.780 96 F N -3.200 116.772 119.950 0.038 0.000 2.789 96 F HA 0.311 4.838 4.527 -0.000 0.000 0.300 96 F C 1.685 177.562 175.800 0.129 0.000 1.132 96 F CA 0.138 58.183 58.000 0.075 0.000 1.404 96 F CB -1.037 37.993 39.000 0.049 0.000 1.114 96 F HN -0.242 nan 8.300 nan 0.000 0.584 97 S N 0.303 115.884 115.700 -0.198 0.000 2.541 97 S HA 0.280 4.749 4.470 -0.000 0.000 0.219 97 S C 0.268 174.912 174.600 0.073 0.000 1.025 97 S CA -0.010 58.174 58.200 -0.027 0.000 0.917 97 S CB -0.093 62.990 63.200 -0.195 0.000 0.859 97 S HN 0.042 nan 8.310 nan 0.000 0.584 98 L N 2.429 123.618 121.223 -0.057 0.000 2.275 98 L HA 0.477 4.817 4.340 -0.000 0.000 0.288 98 L C 1.025 177.841 176.870 -0.090 0.000 1.046 98 L CA -0.184 54.632 54.840 -0.040 0.000 0.805 98 L CB 1.283 43.298 42.059 -0.074 0.000 1.193 98 L HN -0.035 nan 8.230 nan 0.000 0.426 99 R N 2.999 123.429 120.500 -0.117 0.000 2.127 99 R HA -0.105 4.235 4.340 -0.000 0.000 0.238 99 R C -0.617 175.289 176.300 -0.658 0.000 1.134 99 R CA 1.559 57.456 56.100 -0.338 0.000 0.975 99 R CB -0.209 29.916 30.300 -0.291 0.000 0.865 99 R HN 0.524 nan 8.270 nan 0.000 0.447 100 Y N 0.188 120.447 120.300 -0.068 0.000 2.445 100 Y HA 0.337 4.886 4.550 -0.000 0.000 0.332 100 Y C -0.243 175.602 175.900 -0.090 0.000 1.037 100 Y CA -1.018 57.039 58.100 -0.073 0.000 1.296 100 Y CB 0.858 39.265 38.460 -0.088 0.000 1.099 100 Y HN -0.174 nan 8.280 nan 0.000 0.496 101 M N 3.470 123.070 119.600 0.000 0.000 2.245 101 M HA 0.021 4.501 4.480 -0.000 0.000 0.335 101 M C 0.411 176.690 176.300 -0.034 0.000 1.155 101 M CA 0.966 56.237 55.300 -0.048 0.000 1.055 101 M CB 0.750 33.304 32.600 -0.077 0.000 1.670 101 M HN 0.753 nan 8.290 nan 0.000 0.447 102 L N 2.129 123.314 121.223 -0.064 0.000 2.664 102 L HA 0.271 4.611 4.340 -0.000 0.000 0.233 102 L C -0.182 176.658 176.870 -0.051 0.000 1.113 102 L CA -0.113 54.688 54.840 -0.065 0.000 0.896 102 L CB 0.630 42.639 42.059 -0.082 0.000 1.163 102 L HN 0.492 nan 8.230 nan 0.000 0.497 103 V N -0.349 119.530 119.914 -0.057 0.000 2.638 103 V HA 0.264 4.384 4.120 -0.000 0.000 0.306 103 V C -1.208 174.855 176.094 -0.052 0.000 1.052 103 V CA -0.783 61.495 62.300 -0.037 0.000 0.885 103 V CB 2.405 34.198 31.823 -0.049 0.000 0.999 103 V HN -0.027 nan 8.190 nan 0.000 0.424 104 D N 3.346 123.767 120.400 0.036 0.000 2.317 104 D HA 0.598 5.238 4.640 -0.000 0.000 0.234 104 D C 0.117 176.495 176.300 0.130 0.000 1.112 104 D CA 0.133 54.182 54.000 0.083 0.000 0.840 104 D CB 1.518 42.430 40.800 0.187 0.000 1.078 104 D HN 0.735 nan 8.370 nan 0.000 0.486 105 G N 2.827 111.538 108.800 -0.148 0.000 2.524 105 G HA2 0.509 4.469 3.960 -0.000 0.000 0.310 105 G HA3 0.509 4.469 3.960 -0.000 0.000 0.310 105 G C -0.973 173.794 174.900 -0.220 0.000 1.279 105 G CA -0.702 44.222 45.100 -0.292 0.000 0.974 105 G HN 0.471 nan 8.290 nan 0.000 0.484 106 Q N -0.264 119.465 119.800 -0.119 0.000 2.306 106 Q HA 0.684 5.024 4.340 -0.000 0.000 0.265 106 Q C 0.206 176.362 176.000 0.258 0.000 1.022 106 Q CA -0.132 55.637 55.803 -0.057 0.000 0.853 106 Q CB 2.490 30.984 28.738 -0.408 0.000 1.327 106 Q HN 1.317 nan 8.270 nan 0.000 0.449 107 G N 1.949 110.882 108.800 0.222 0.000 2.462 107 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.685 107 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.685 107 G C -1.186 173.832 174.900 0.197 0.000 1.295 107 G CA -1.001 44.191 45.100 0.154 0.000 0.941 107 G HN 0.600 nan 8.290 nan 0.000 0.554 108 N N -0.170 118.547 118.700 0.027 0.000 2.401 108 N HA 0.512 5.252 4.740 -0.000 0.000 0.255 108 N C -0.063 175.401 175.510 -0.077 0.000 1.110 108 N CA -0.502 52.576 53.050 0.048 0.000 0.949 108 N CB -0.092 38.403 38.487 0.013 0.000 1.110 108 N HN 0.386 nan 8.380 nan 0.000 0.490 109 F N 2.575 122.564 119.950 0.066 0.000 2.837 109 F HA 0.401 4.928 4.527 -0.000 0.000 0.298 109 F C 1.564 177.420 175.800 0.094 0.000 1.161 109 F CA 0.193 58.223 58.000 0.050 0.000 1.353 109 F CB -0.069 38.935 39.000 0.007 0.000 0.951 109 F HN 0.687 nan 8.300 nan 0.000 0.508 110 G N 1.108 110.026 108.800 0.197 0.000 2.894 110 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.247 110 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.247 110 G C -0.146 174.937 174.900 0.306 0.000 1.442 110 G CA -0.235 44.983 45.100 0.197 0.000 0.897 110 G HN 0.829 nan 8.290 nan 0.000 0.550 111 S N -1.919 113.888 115.700 0.178 0.000 2.705 111 S HA 0.627 5.097 4.470 -0.000 0.000 0.280 111 S C 1.074 175.279 174.600 -0.658 0.000 1.174 111 S CA 0.292 58.476 58.200 -0.027 0.000 0.823 111 S CB 1.448 64.622 63.200 -0.043 0.000 1.162 111 S HN 1.842 nan 8.310 nan 0.000 0.487 112 I N 1.373 121.279 120.570 -1.108 0.000 2.502 112 I HA -0.124 4.045 4.170 -0.000 0.000 0.258 112 I C 0.738 176.586 176.117 -0.448 0.000 1.172 112 I CA 1.668 62.376 61.300 -0.986 0.000 1.430 112 I CB -0.414 37.225 38.000 -0.602 0.000 1.086 112 I HN 0.635 nan 8.210 nan 0.000 0.440 113 D N 0.756 120.988 120.400 -0.281 0.000 2.323 113 D HA 0.159 4.799 4.640 -0.000 0.000 0.239 113 D C 1.671 177.896 176.300 -0.125 0.000 1.129 113 D CA 0.897 54.798 54.000 -0.164 0.000 0.865 113 D CB -0.390 40.346 40.800 -0.108 0.000 0.913 113 D HN 0.453 nan 8.370 nan 0.000 0.517 114 G N 2.181 110.896 108.800 -0.142 0.000 2.168 114 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.257 114 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.257 114 G C 0.038 174.925 174.900 -0.023 0.000 0.997 114 G CA 0.394 45.455 45.100 -0.064 0.000 0.708 114 G HN 0.473 nan 8.290 nan 0.000 0.520 115 D N 0.170 120.557 120.400 -0.022 0.000 2.344 115 D HA 0.471 5.111 4.640 -0.000 0.000 0.244 115 D C 0.400 176.722 176.300 0.036 0.000 1.134 115 D CA -0.069 53.933 54.000 0.004 0.000 0.930 115 D CB 1.139 41.939 40.800 -0.001 0.000 1.175 115 D HN 0.049 nan 8.370 nan 0.000 0.437 116 S N -0.454 115.267 115.700 0.036 0.000 2.617 116 S HA 0.509 4.979 4.470 -0.000 0.000 0.269 116 S C 0.199 174.826 174.600 0.044 0.000 1.292 116 S CA -0.671 57.556 58.200 0.045 0.000 1.010 116 S CB 1.108 64.334 63.200 0.043 0.000 0.944 116 S HN 0.701 nan 8.310 nan 0.000 0.536 117 A N 1.569 124.407 122.820 0.029 0.000 2.346 117 A HA 0.657 4.977 4.320 -0.000 0.000 0.252 117 A C 0.628 178.223 177.584 0.019 0.000 1.089 117 A CA -0.193 51.830 52.037 -0.024 0.000 0.797 117 A CB -0.279 18.634 19.000 -0.144 0.000 1.047 117 A HN 1.020 nan 8.150 nan 0.000 0.494 118 A N 0.236 123.044 122.820 -0.020 0.000 2.366 118 A HA 0.547 4.867 4.320 -0.000 0.000 0.250 118 A C 0.968 178.628 177.584 0.127 0.000 1.099 118 A CA 0.183 52.260 52.037 0.067 0.000 0.794 118 A CB -0.509 18.535 19.000 0.073 0.000 1.056 118 A HN 2.283 nan 8.150 nan 0.000 0.499 119 A N 0.731 123.629 122.820 0.129 0.000 2.483 119 A HA 0.351 4.671 4.320 -0.000 0.000 0.238 119 A C 1.420 178.862 177.584 -0.237 0.000 1.070 119 A CA 0.435 52.443 52.037 -0.048 0.000 0.770 119 A CB -0.418 18.521 19.000 -0.103 0.000 1.008 119 A HN 1.437 nan 8.150 nan 0.000 0.497 120 M N 2.019 121.236 119.600 -0.639 0.000 2.337 120 M HA -0.219 4.261 4.480 -0.000 0.000 0.261 120 M C 1.656 177.713 176.300 -0.406 0.000 1.067 120 M CA 2.349 57.169 55.300 -0.801 0.000 1.074 120 M CB -0.606 31.311 32.600 -1.139 0.000 1.395 120 M HN 0.819 nan 8.290 nan 0.000 0.431 121 R N -0.564 119.652 120.500 -0.474 0.000 2.276 121 R HA -0.056 4.284 4.340 -0.000 0.000 0.203 121 R C 0.548 176.570 176.300 -0.464 0.000 1.017 121 R CA 1.024 56.832 56.100 -0.487 0.000 1.010 121 R CB -0.453 29.492 30.300 -0.591 0.000 0.900 121 R HN 0.446 nan 8.270 nan 0.000 0.469 122 Y N 1.306 121.560 120.300 -0.076 0.000 2.507 122 Y HA 0.156 4.706 4.550 -0.000 0.000 0.263 122 Y C 1.123 176.992 175.900 -0.052 0.000 1.093 122 Y CA 0.249 58.316 58.100 -0.055 0.000 1.285 122 Y CB 0.139 38.565 38.460 -0.057 0.000 1.115 122 Y HN 0.087 nan 8.280 nan 0.000 0.533 123 T N 0.174 114.759 114.554 0.052 0.000 2.918 123 T HA 0.520 4.870 4.350 -0.000 0.000 0.283 123 T C -0.275 174.509 174.700 0.140 0.000 1.001 123 T CA -0.781 61.326 62.100 0.011 0.000 1.041 123 T CB 2.037 70.714 68.868 -0.318 0.000 1.028 123 T HN 0.300 nan 8.240 nan 0.000 0.511 124 E N 1.143 121.481 120.200 0.230 0.000 2.408 124 E HA 0.673 5.022 4.350 -0.000 0.000 0.275 124 E C -1.033 175.753 176.600 0.309 0.000 0.935 124 E CA -1.194 55.340 56.400 0.224 0.000 0.775 124 E CB 2.284 32.060 29.700 0.127 0.000 1.277 124 E HN 0.912 nan 8.360 nan 0.000 0.455 125 I N -2.164 118.635 120.570 0.381 0.000 3.093 125 I HA 0.713 4.882 4.170 -0.000 0.000 0.308 125 I C -0.969 175.367 176.117 0.366 0.000 1.303 125 I CA -1.261 60.285 61.300 0.410 0.000 0.975 125 I CB 2.474 40.652 38.000 0.296 0.000 1.286 125 I HN 0.856 nan 8.210 nan 0.000 0.459 126 R N 2.255 122.910 120.500 0.258 0.000 2.756 126 R HA 0.633 4.973 4.340 -0.000 0.000 0.273 126 R C -1.919 174.449 176.300 0.113 0.000 1.030 126 R CA -1.123 55.049 56.100 0.121 0.000 0.887 126 R CB 1.131 31.424 30.300 -0.011 0.000 1.274 126 R HN 0.656 nan 8.270 nan 0.000 0.461 127 L N 1.360 122.652 121.223 0.115 0.000 2.452 127 L HA 0.462 4.802 4.340 -0.000 0.000 0.267 127 L C 0.674 177.651 176.870 0.179 0.000 1.188 127 L CA -0.454 54.430 54.840 0.073 0.000 0.821 127 L CB 1.063 43.059 42.059 -0.104 0.000 1.102 127 L HN 0.823 nan 8.230 nan 0.000 0.470 128 A N 2.375 125.256 122.820 0.101 0.000 2.332 128 A HA 0.212 4.532 4.320 -0.000 0.000 0.258 128 A C 1.135 178.816 177.584 0.163 0.000 1.087 128 A CA -0.354 51.764 52.037 0.136 0.000 0.802 128 A CB 0.441 19.470 19.000 0.048 0.000 1.042 128 A HN 0.895 nan 8.150 nan 0.000 0.489 129 K N 0.593 121.045 120.400 0.087 0.000 2.052 129 K HA -0.216 4.103 4.320 -0.000 0.000 0.215 129 K C 1.660 178.198 176.600 -0.104 0.000 1.053 129 K CA 2.150 58.319 56.287 -0.196 0.000 0.934 129 K CB -0.344 31.907 32.500 -0.416 0.000 0.717 129 K HN 0.762 nan 8.250 nan 0.000 0.450 130 I N 0.479 120.897 120.570 -0.255 0.000 2.454 130 I HA -0.265 3.905 4.170 -0.000 0.000 0.254 130 I C 2.015 177.922 176.117 -0.351 0.000 1.156 130 I CA 0.979 61.886 61.300 -0.655 0.000 1.433 130 I CB -0.056 37.537 38.000 -0.678 0.000 1.082 130 I HN 0.156 nan 8.210 nan 0.000 0.432 131 A N -0.154 122.549 122.820 -0.195 0.000 1.972 131 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 131 A C 2.064 179.524 177.584 -0.206 0.000 1.169 131 A CA 1.498 53.419 52.037 -0.194 0.000 0.635 131 A CB -0.933 17.953 19.000 -0.190 0.000 0.810 131 A HN 0.572 nan 8.150 nan 0.000 0.446 132 H N -0.422 118.603 119.070 -0.074 0.000 2.457 132 H HA -0.057 4.498 4.556 -0.000 0.000 0.294 132 H C 1.658 176.953 175.328 -0.054 0.000 1.064 132 H CA 1.373 57.410 56.048 -0.018 0.000 1.330 132 H CB 0.085 29.872 29.762 0.041 0.000 1.395 132 H HN 0.481 nan 8.280 nan 0.000 0.541 133 E N 0.922 121.092 120.200 -0.051 0.000 2.150 133 E HA -0.095 4.254 4.350 -0.000 0.000 0.193 133 E C 2.368 178.932 176.600 -0.060 0.000 0.985 133 E CA 0.172 56.520 56.400 -0.086 0.000 0.814 133 E CB -0.377 29.175 29.700 -0.247 0.000 0.752 133 E HN 0.314 nan 8.360 nan 0.000 0.466 134 L N -0.226 120.944 121.223 -0.088 0.000 2.201 134 L HA -0.027 4.313 4.340 -0.000 0.000 0.212 134 L C 1.916 178.783 176.870 -0.006 0.000 1.105 134 L CA 1.292 56.103 54.840 -0.048 0.000 0.775 134 L CB 0.004 42.017 42.059 -0.077 0.000 0.913 134 L HN 0.035 nan 8.230 nan 0.000 0.440 135 M N -0.721 118.878 119.600 -0.002 0.000 2.405 135 M HA 0.316 4.796 4.480 -0.000 0.000 0.292 135 M C 0.601 176.934 176.300 0.055 0.000 1.111 135 M CA -0.232 55.087 55.300 0.032 0.000 0.979 135 M CB 0.285 32.907 32.600 0.037 0.000 1.426 135 M HN 0.149 nan 8.290 nan 0.000 0.509 136 A N 1.633 124.481 122.820 0.047 0.000 2.561 136 A HA 0.039 4.359 4.320 -0.000 0.000 0.251 136 A C 0.512 178.110 177.584 0.024 0.000 1.062 136 A CA 0.517 52.584 52.037 0.049 0.000 0.761 136 A CB -0.186 18.835 19.000 0.036 0.000 0.986 136 A HN 0.722 nan 8.150 nan 0.000 0.510 137 D N 0.068 120.484 120.400 0.027 0.000 3.006 137 D HA -0.198 4.441 4.640 -0.000 0.000 0.205 137 D C 0.715 176.999 176.300 -0.026 0.000 1.075 137 D CA 1.049 55.043 54.000 -0.010 0.000 1.000 137 D CB -1.540 39.242 40.800 -0.029 0.000 1.097 137 D HN 0.622 nan 8.370 nan 0.000 0.426 138 L N 1.153 122.392 121.223 0.028 0.000 2.270 138 L HA -0.211 4.129 4.340 -0.000 0.000 0.217 138 L C 1.643 178.569 176.870 0.094 0.000 1.107 138 L CA 2.362 57.249 54.840 0.079 0.000 0.772 138 L CB -0.128 42.020 42.059 0.149 0.000 0.902 138 L HN 0.098 nan 8.230 nan 0.000 0.439 139 E N -1.626 118.574 120.200 0.001 0.000 2.465 139 E HA 0.093 4.443 4.350 -0.000 0.000 0.195 139 E C 0.439 176.804 176.600 -0.392 0.000 1.028 139 E CA 0.143 56.496 56.400 -0.078 0.000 0.899 139 E CB -0.112 29.582 29.700 -0.011 0.000 1.032 139 E HN 0.253 nan 8.360 nan 0.000 0.468 140 K N 1.200 121.297 120.400 -0.505 0.000 2.699 140 K HA 0.141 4.461 4.320 -0.000 0.000 0.210 140 K C -0.594 175.467 176.600 -0.899 0.000 1.076 140 K CA -0.248 55.363 56.287 -1.127 0.000 1.109 140 K CB 0.102 32.331 32.500 -0.452 0.000 0.862 140 K HN 0.159 nan 8.250 nan 0.000 0.470 141 E N 0.777 120.654 120.200 -0.538 0.000 2.183 141 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 141 E C 0.314 176.879 176.600 -0.058 0.000 1.364 141 E CA 0.947 57.264 56.400 -0.139 0.000 0.700 141 E CB -1.492 28.195 29.700 -0.022 0.000 1.106 141 E HN 0.539 nan 8.360 nan 0.000 0.347 142 T N -3.742 110.778 114.554 -0.057 0.000 3.001 142 T HA 0.321 4.670 4.350 -0.000 0.000 0.251 142 T C 0.729 175.394 174.700 -0.059 0.000 1.040 142 T CA 0.319 62.381 62.100 -0.063 0.000 0.985 142 T CB 0.486 69.298 68.868 -0.093 0.000 1.011 142 T HN 0.336 nan 8.240 nan 0.000 0.509 143 V N -2.013 117.865 119.914 -0.059 0.000 3.130 143 V HA 0.711 4.830 4.120 -0.000 0.000 0.310 143 V C -1.878 174.127 176.094 -0.149 0.000 1.158 143 V CA -1.353 60.875 62.300 -0.121 0.000 1.029 143 V CB 1.979 33.672 31.823 -0.217 0.000 1.057 143 V HN -0.073 nan 8.190 nan 0.000 0.436 144 D N 1.623 121.929 120.400 -0.156 0.000 2.304 144 D HA 0.562 5.202 4.640 -0.000 0.000 0.250 144 D C -0.810 175.328 176.300 -0.270 0.000 1.107 144 D CA 0.455 54.402 54.000 -0.089 0.000 0.885 144 D CB 1.064 41.837 40.800 -0.045 0.000 1.192 144 D HN 0.478 nan 8.370 nan 0.000 0.436 145 F N 0.772 120.683 119.950 -0.065 0.000 2.422 145 F HA 0.370 4.896 4.527 -0.000 0.000 0.333 145 F C 0.729 176.495 175.800 -0.058 0.000 1.095 145 F CA -0.879 57.066 58.000 -0.091 0.000 1.038 145 F CB 1.294 40.242 39.000 -0.087 0.000 1.156 145 F HN 0.051 nan 8.300 nan 0.000 0.483 146 V N -1.449 118.514 119.914 0.081 0.000 3.177 146 V HA 0.603 4.723 4.120 -0.000 0.000 0.319 146 V C -0.462 175.687 176.094 0.091 0.000 1.125 146 V CA -0.957 61.384 62.300 0.068 0.000 1.029 146 V CB 1.644 33.483 31.823 0.026 0.000 1.119 146 V HN 0.538 nan 8.190 nan 0.000 0.452 147 D N 2.212 122.657 120.400 0.075 0.000 2.339 147 D HA 0.242 4.881 4.640 -0.000 0.000 0.245 147 D C 0.106 176.464 176.300 0.097 0.000 1.115 147 D CA 0.069 54.114 54.000 0.075 0.000 0.917 147 D CB 1.034 41.864 40.800 0.049 0.000 1.192 147 D HN 0.899 nan 8.370 nan 0.000 0.428 148 N N 0.409 119.172 118.700 0.104 0.000 2.476 148 N HA -0.056 4.684 4.740 -0.000 0.000 0.287 148 N C 1.221 176.780 175.510 0.083 0.000 1.262 148 N CA -0.343 52.804 53.050 0.162 0.000 0.980 148 N CB -0.030 38.599 38.487 0.238 0.000 1.163 148 N HN 0.521 nan 8.380 nan 0.000 0.592 149 Y N -1.136 119.223 120.300 0.099 0.000 2.384 149 Y HA -0.045 4.504 4.550 -0.001 0.000 0.289 149 Y C 0.518 176.440 175.900 0.036 0.000 1.152 149 Y CA 1.527 59.660 58.100 0.055 0.000 1.258 149 Y CB -0.542 37.927 38.460 0.016 0.000 0.979 149 Y HN 0.538 nan 8.280 nan 0.000 0.549 150 D N -1.428 118.607 120.400 -0.608 0.000 2.513 150 D HA 0.198 4.838 4.640 -0.000 0.000 0.222 150 D C 1.548 177.726 176.300 -0.204 0.000 1.210 150 D CA 0.011 53.786 54.000 -0.375 0.000 0.825 150 D CB -0.130 40.351 40.800 -0.532 0.000 1.037 150 D HN 0.452 nan 8.370 nan 0.000 0.506 151 G N 1.069 109.784 108.800 -0.142 0.000 2.225 151 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.267 151 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.267 151 G C 0.888 175.747 174.900 -0.070 0.000 1.024 151 G CA 1.085 46.145 45.100 -0.067 0.000 0.784 151 G HN 0.658 nan 8.290 nan 0.000 0.507 152 T N -3.915 110.575 114.554 -0.107 0.000 3.054 152 T HA 0.537 4.887 4.350 -0.000 0.000 0.255 152 T C 0.400 175.083 174.700 -0.028 0.000 1.035 152 T CA 0.638 62.694 62.100 -0.074 0.000 0.941 152 T CB 1.014 69.822 68.868 -0.100 0.000 1.026 152 T HN 0.331 nan 8.240 nan 0.000 0.533 153 E N 0.633 120.838 120.200 0.009 0.000 2.433 153 E HA 0.530 4.879 4.350 -0.000 0.000 0.278 153 E C -1.099 175.590 176.600 0.148 0.000 0.976 153 E CA -0.827 55.638 56.400 0.107 0.000 0.793 153 E CB 2.008 31.821 29.700 0.189 0.000 1.311 153 E HN 0.024 nan 8.360 nan 0.000 0.460 154 K N 1.083 121.598 120.400 0.191 0.000 2.208 154 K HA 0.670 4.990 4.320 -0.000 0.000 0.247 154 K C -0.208 176.533 176.600 0.235 0.000 0.953 154 K CA -0.682 55.713 56.287 0.180 0.000 0.837 154 K CB 1.543 34.080 32.500 0.061 0.000 1.131 154 K HN 0.448 nan 8.250 nan 0.000 0.431 155 I N 2.755 123.419 120.570 0.157 0.000 2.533 155 I HA 0.253 4.422 4.170 -0.000 0.000 0.290 155 I C -2.378 173.561 176.117 -0.297 0.000 1.056 155 I CA -2.555 58.651 61.300 -0.156 0.000 1.057 155 I CB 2.384 40.258 38.000 -0.210 0.000 1.240 155 I HN 0.266 nan 8.210 nan 0.000 0.423 156 P HA -0.037 nan 4.420 nan 0.000 0.266 156 P C -0.189 176.802 177.300 -0.515 0.000 1.193 156 P CA 0.257 62.732 63.100 -1.041 0.000 0.770 156 P CB 0.921 32.051 31.700 -0.950 0.000 0.836 157 D N 1.168 121.316 120.400 -0.420 0.000 2.305 157 D HA 0.066 4.706 4.640 -0.000 0.000 0.206 157 D C -0.101 176.080 176.300 -0.199 0.000 0.974 157 D CA 0.450 54.311 54.000 -0.232 0.000 0.871 157 D CB 0.411 41.109 40.800 -0.170 0.000 0.947 157 D HN 0.126 nan 8.370 nan 0.000 0.516 158 V N 0.163 119.936 119.914 -0.234 0.000 3.177 158 V HA 0.300 4.420 4.120 -0.000 0.000 0.287 158 V C -1.661 174.340 176.094 -0.156 0.000 1.465 158 V CA -1.024 61.173 62.300 -0.173 0.000 1.020 158 V CB 1.812 33.534 31.823 -0.169 0.000 1.152 158 V HN -0.102 nan 8.190 nan 0.000 0.448 159 M N 6.076 125.627 119.600 -0.082 0.000 2.277 159 M HA 0.456 4.936 4.480 -0.000 0.000 0.350 159 M C -2.184 174.192 176.300 0.127 0.000 1.180 159 M CA -2.663 52.624 55.300 -0.021 0.000 1.103 159 M CB 1.090 33.684 32.600 -0.010 0.000 1.577 159 M HN 0.420 nan 8.290 nan 0.000 0.459 160 P HA 0.010 nan 4.420 nan 0.000 0.246 160 P C 0.271 177.599 177.300 0.046 0.000 1.686 160 P CA 0.057 63.179 63.100 0.036 0.000 0.867 160 P CB -0.807 30.869 31.700 -0.040 0.000 1.733 161 T N 0.515 115.158 114.554 0.149 0.000 2.934 161 T HA 0.013 4.363 4.350 -0.000 0.000 0.306 161 T C 1.243 176.044 174.700 0.168 0.000 1.042 161 T CA 0.287 62.467 62.100 0.133 0.000 1.145 161 T CB 0.316 69.278 68.868 0.157 0.000 0.982 161 T HN 0.163 nan 8.240 nan 0.000 0.544 162 K N 3.518 123.985 120.400 0.112 0.000 2.379 162 K HA 0.175 4.495 4.320 -0.000 0.000 0.194 162 K C 0.283 177.024 176.600 0.236 0.000 1.031 162 K CA 0.008 56.385 56.287 0.150 0.000 1.037 162 K CB 0.364 32.898 32.500 0.058 0.000 0.824 162 K HN 0.460 nan 8.250 nan 0.000 0.516 163 I N 2.925 123.554 120.570 0.100 0.000 2.385 163 I HA 0.142 4.312 4.170 -0.000 0.000 0.294 163 I C -2.356 173.598 176.117 -0.272 0.000 0.988 163 I CA -3.431 57.800 61.300 -0.115 0.000 1.265 163 I CB 0.889 38.765 38.000 -0.207 0.000 1.388 163 I HN -0.194 nan 8.210 nan 0.000 0.480 164 P HA 0.136 nan 4.420 nan 0.000 0.241 164 P C 0.531 177.525 177.300 -0.510 0.000 1.760 164 P CA 0.067 62.457 63.100 -1.183 0.000 1.081 164 P CB -0.050 30.878 31.700 -1.288 0.000 1.975 165 N N 1.751 120.272 118.700 -0.298 0.000 2.120 165 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 165 N C 1.461 176.903 175.510 -0.113 0.000 1.024 165 N CA 0.961 53.911 53.050 -0.168 0.000 0.852 165 N CB -0.732 37.694 38.487 -0.100 0.000 1.003 165 N HN 0.100 nan 8.380 nan 0.000 0.424 166 L N 0.468 121.625 121.223 -0.110 0.000 2.013 166 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 166 L C 1.968 178.810 176.870 -0.048 0.000 1.073 166 L CA 1.623 56.426 54.840 -0.061 0.000 0.753 166 L CB -0.608 41.409 42.059 -0.071 0.000 0.890 166 L HN 0.290 nan 8.230 nan 0.000 0.432 167 L N -2.395 118.750 121.223 -0.129 0.000 2.095 167 L HA -0.123 4.217 4.340 -0.000 0.000 0.204 167 L C 2.454 179.364 176.870 0.067 0.000 1.080 167 L CA 0.726 55.498 54.840 -0.114 0.000 0.759 167 L CB -0.419 41.418 42.059 -0.371 0.000 0.914 167 L HN 0.121 nan 8.230 nan 0.000 0.439 168 V N -0.024 119.870 119.914 -0.034 0.000 2.379 168 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 168 V C 1.954 178.126 176.094 0.131 0.000 1.044 168 V CA 1.662 63.994 62.300 0.054 0.000 1.036 168 V CB -0.205 31.556 31.823 -0.103 0.000 0.664 168 V HN 0.463 nan 8.190 nan 0.000 0.453 169 N N -0.565 118.178 118.700 0.071 0.000 2.356 169 N HA 0.196 4.935 4.740 -0.000 0.000 0.178 169 N C 0.855 176.404 175.510 0.065 0.000 1.075 169 N CA 0.948 54.039 53.050 0.068 0.000 0.889 169 N CB 0.737 39.248 38.487 0.039 0.000 0.999 169 N HN 0.575 nan 8.380 nan 0.000 0.464 170 G N 0.349 109.197 108.800 0.081 0.000 2.855 170 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.352 170 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.352 170 G C -0.623 174.357 174.900 0.133 0.000 1.415 170 G CA 0.058 45.232 45.100 0.124 0.000 0.871 170 G HN 0.467 nan 8.290 nan 0.000 0.543 171 S N -1.542 114.261 115.700 0.172 0.000 2.552 171 S HA 0.765 5.235 4.470 -0.000 0.000 0.272 171 S C -0.789 173.910 174.600 0.166 0.000 1.150 171 S CA 0.812 59.108 58.200 0.160 0.000 0.849 171 S CB 1.693 64.967 63.200 0.123 0.000 1.113 171 S HN 2.258 nan 8.310 nan 0.000 0.458 172 S N 1.293 117.073 115.700 0.134 0.000 2.575 172 S HA 0.667 5.137 4.470 -0.000 0.000 0.278 172 S C 0.152 174.780 174.600 0.046 0.000 1.139 172 S CA 0.059 58.311 58.200 0.087 0.000 0.954 172 S CB 1.227 64.476 63.200 0.081 0.000 1.054 172 S HN 1.296 nan 8.310 nan 0.000 0.483 173 G N 3.644 112.453 108.800 0.016 0.000 3.651 173 G HA2 0.215 4.175 3.960 -0.000 0.000 0.279 173 G HA3 0.215 4.175 3.960 -0.000 0.000 0.279 173 G C 0.941 175.828 174.900 -0.021 0.000 1.024 173 G CA -0.184 44.914 45.100 -0.003 0.000 0.813 173 G HN 0.634 nan 8.290 nan 0.000 0.518 174 I N 1.637 122.187 120.570 -0.033 0.000 2.252 174 I HA -0.112 4.058 4.170 -0.000 0.000 0.245 174 I C 3.014 179.104 176.117 -0.046 0.000 1.102 174 I CA 1.403 62.671 61.300 -0.053 0.000 1.385 174 I CB -1.015 36.932 38.000 -0.088 0.000 1.064 174 I HN 0.255 nan 8.210 nan 0.000 0.414 175 A N 0.917 123.714 122.820 -0.038 0.000 1.978 175 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 175 A C 2.084 179.651 177.584 -0.027 0.000 1.170 175 A CA 1.935 53.953 52.037 -0.033 0.000 0.636 175 A CB -0.794 18.192 19.000 -0.024 0.000 0.810 175 A HN 0.390 nan 8.150 nan 0.000 0.448 176 V N -4.421 115.477 119.914 -0.026 0.000 3.514 176 V HA 0.581 4.701 4.120 -0.000 0.000 0.301 176 V C 1.162 177.238 176.094 -0.030 0.000 1.346 176 V CA 0.731 63.015 62.300 -0.027 0.000 1.156 176 V CB -0.680 31.127 31.823 -0.027 0.000 1.029 176 V HN 1.445 nan 8.190 nan 0.000 0.428 177 G N -0.379 108.403 108.800 -0.031 0.000 2.176 177 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.232 177 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.232 177 G C -0.015 174.867 174.900 -0.031 0.000 0.986 177 G CA 0.299 45.380 45.100 -0.031 0.000 0.643 177 G HN 0.370 nan 8.290 nan 0.000 0.522 178 M N 0.024 119.605 119.600 -0.031 0.000 2.012 178 M HA 0.738 5.218 4.480 -0.000 0.000 0.248 178 M C 1.830 178.115 176.300 -0.026 0.000 1.238 178 M CA 0.270 55.553 55.300 -0.028 0.000 0.980 178 M CB 0.342 32.926 32.600 -0.027 0.000 1.346 178 M HN 0.476 nan 8.290 nan 0.000 0.511 179 A N -0.328 122.481 122.820 -0.020 0.000 2.035 179 A HA 0.128 4.448 4.320 -0.000 0.000 0.208 179 A C 0.766 178.345 177.584 -0.009 0.000 1.206 179 A CA 0.284 52.311 52.037 -0.017 0.000 0.773 179 A CB -0.430 18.564 19.000 -0.010 0.000 0.878 179 A HN 0.726 nan 8.150 nan 0.000 0.469 180 T N 2.017 116.572 114.554 0.001 0.000 2.871 180 T HA 0.201 4.551 4.350 -0.000 0.000 0.296 180 T C -0.273 174.445 174.700 0.030 0.000 0.998 180 T CA 0.696 62.810 62.100 0.022 0.000 1.162 180 T CB -0.118 68.766 68.868 0.027 0.000 0.947 180 T HN 0.341 nan 8.240 nan 0.000 0.536 181 N N 3.390 122.126 118.700 0.061 0.000 2.685 181 N HA 0.319 5.058 4.740 -0.000 0.000 0.252 181 N C -1.331 174.336 175.510 0.261 0.000 1.261 181 N CA -0.336 52.772 53.050 0.096 0.000 0.768 181 N CB 0.448 38.894 38.487 -0.069 0.000 1.304 181 N HN 0.504 nan 8.380 nan 0.000 0.536 182 I N 3.204 123.945 120.570 0.286 0.000 2.339 182 I HA 0.484 4.654 4.170 -0.000 0.000 0.290 182 I C -2.006 174.316 176.117 0.342 0.000 0.994 182 I CA -1.983 59.498 61.300 0.301 0.000 1.191 182 I CB 1.969 40.083 38.000 0.190 0.000 1.343 182 I HN 0.233 nan 8.210 nan 0.000 0.458 183 P HA 0.372 nan 4.420 nan 0.000 0.278 183 P C -2.740 174.436 177.300 -0.206 0.000 1.258 183 P CA -2.040 61.008 63.100 -0.088 0.000 0.811 183 P CB 0.290 31.606 31.700 -0.641 0.000 1.063 184 P HA 0.320 nan 4.420 nan 0.000 0.276 184 P C -0.814 176.124 177.300 -0.603 0.000 1.261 184 P CA 0.161 63.085 63.100 -0.293 0.000 0.800 184 P CB 0.497 32.034 31.700 -0.272 0.000 1.066 185 H N -1.856 117.116 119.070 -0.164 0.000 2.977 185 H HA 0.327 4.883 4.556 -0.000 0.000 0.350 185 H C -0.004 175.316 175.328 -0.013 0.000 1.238 185 H CA -0.724 55.241 56.048 -0.139 0.000 1.124 185 H CB 1.080 30.770 29.762 -0.120 0.000 1.866 185 H HN 0.331 nan 8.280 nan 0.000 0.550 186 N N 1.819 120.590 118.700 0.118 0.000 2.458 186 N HA -0.029 4.710 4.740 -0.000 0.000 0.270 186 N C 0.790 176.373 175.510 0.123 0.000 1.102 186 N CA -0.109 53.031 53.050 0.150 0.000 0.967 186 N CB 1.064 39.592 38.487 0.068 0.000 1.078 186 N HN 0.538 nan 8.380 nan 0.000 0.471 187 L N 4.682 125.989 121.223 0.141 0.000 2.012 187 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 187 L C 2.058 178.882 176.870 -0.077 0.000 1.073 187 L CA 1.995 56.746 54.840 -0.148 0.000 0.748 187 L CB -0.959 40.796 42.059 -0.507 0.000 0.891 187 L HN 0.646 nan 8.230 nan 0.000 0.431 188 T N -0.517 114.033 114.554 -0.005 0.000 2.684 188 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 188 T C 1.677 176.373 174.700 -0.007 0.000 1.036 188 T CA 1.786 63.884 62.100 -0.004 0.000 1.148 188 T CB -0.327 68.555 68.868 0.023 0.000 0.863 188 T HN 0.477 nan 8.240 nan 0.000 0.436 189 E N 0.411 120.619 120.200 0.014 0.000 2.070 189 E HA -0.132 4.218 4.350 -0.000 0.000 0.197 189 E C 2.369 178.958 176.600 -0.019 0.000 1.004 189 E CA 1.303 57.717 56.400 0.022 0.000 0.805 189 E CB -0.327 29.396 29.700 0.039 0.000 0.744 189 E HN 0.280 nan 8.360 nan 0.000 0.451 190 V N 1.516 121.389 119.914 -0.068 0.000 2.358 190 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 190 V C 2.273 178.290 176.094 -0.128 0.000 1.047 190 V CA 1.049 63.266 62.300 -0.139 0.000 1.035 190 V CB -0.369 31.326 31.823 -0.212 0.000 0.658 190 V HN 0.267 nan 8.190 nan 0.000 0.452 191 I N 0.916 121.422 120.570 -0.107 0.000 2.151 191 I HA -0.231 3.938 4.170 -0.000 0.000 0.243 191 I C 2.370 178.447 176.117 -0.067 0.000 1.080 191 I CA 1.686 62.947 61.300 -0.065 0.000 1.339 191 I CB -1.503 36.468 38.000 -0.047 0.000 1.039 191 I HN 0.378 nan 8.210 nan 0.000 0.409 192 N N 1.143 119.788 118.700 -0.092 0.000 2.104 192 N HA -0.134 4.606 4.740 -0.000 0.000 0.190 192 N C 1.975 177.305 175.510 -0.300 0.000 1.024 192 N CA 1.567 54.508 53.050 -0.182 0.000 0.853 192 N CB -0.734 37.676 38.487 -0.129 0.000 1.008 192 N HN 0.447 nan 8.380 nan 0.000 0.424 193 G N 0.429 109.139 108.800 -0.149 0.000 2.446 193 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 193 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 193 G C 1.904 176.782 174.900 -0.037 0.000 1.168 193 G CA 1.169 46.223 45.100 -0.076 0.000 0.771 193 G HN 0.388 nan 8.290 nan 0.000 0.551 194 C N 0.389 119.680 119.300 -0.015 0.000 2.429 194 C HA 0.032 4.492 4.460 -0.000 0.000 0.277 194 C C 2.947 177.994 174.990 0.096 0.000 1.262 194 C CA 0.713 59.785 59.018 0.090 0.000 1.733 194 C CB -1.225 26.607 27.740 0.153 0.000 2.010 194 C HN 0.438 nan 8.230 nan 0.000 0.483 195 L N 1.554 122.777 121.223 -0.001 0.000 2.042 195 L HA -0.174 4.165 4.340 -0.000 0.000 0.210 195 L C 2.899 179.737 176.870 -0.052 0.000 1.076 195 L CA 1.729 56.549 54.840 -0.034 0.000 0.749 195 L CB -0.897 41.115 42.059 -0.079 0.000 0.893 195 L HN 0.331 nan 8.230 nan 0.000 0.432 196 A N -0.814 121.936 122.820 -0.117 0.000 1.978 196 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 196 A C 2.207 179.813 177.584 0.036 0.000 1.170 196 A CA 1.773 53.775 52.037 -0.059 0.000 0.636 196 A CB -0.789 18.182 19.000 -0.049 0.000 0.810 196 A HN 0.527 nan 8.150 nan 0.000 0.448 197 Y N 0.178 120.459 120.300 -0.032 0.000 2.176 197 Y HA -0.037 4.513 4.550 -0.000 0.000 0.291 197 Y C 1.910 177.804 175.900 -0.011 0.000 1.122 197 Y CA 1.469 59.562 58.100 -0.011 0.000 1.128 197 Y CB -0.279 38.177 38.460 -0.007 0.000 1.005 197 Y HN 0.207 nan 8.280 nan 0.000 0.509 198 I N 0.591 121.129 120.570 -0.054 0.000 2.399 198 I HA -0.318 3.852 4.170 -0.000 0.000 0.254 198 I C 1.516 177.542 176.117 -0.152 0.000 1.146 198 I CA 1.549 62.776 61.300 -0.122 0.000 1.412 198 I CB -0.324 37.673 38.000 -0.005 0.000 1.076 198 I HN 0.311 nan 8.210 nan 0.000 0.432 199 D N -0.127 120.203 120.400 -0.116 0.000 2.201 199 D HA -0.053 4.587 4.640 -0.000 0.000 0.209 199 D C 0.629 176.865 176.300 -0.107 0.000 0.961 199 D CA 1.112 55.058 54.000 -0.090 0.000 0.861 199 D CB 0.065 40.835 40.800 -0.050 0.000 0.997 199 D HN 0.146 nan 8.370 nan 0.000 0.486 200 D N 0.364 120.688 120.400 -0.127 0.000 2.378 200 D HA -0.006 4.633 4.640 -0.000 0.000 0.265 200 D C 0.680 176.856 176.300 -0.208 0.000 1.229 200 D CA -0.223 53.708 54.000 -0.116 0.000 0.914 200 D CB 0.700 41.476 40.800 -0.040 0.000 1.140 200 D HN -0.114 nan 8.370 nan 0.000 0.516 201 E N 1.955 121.960 120.200 -0.326 0.000 2.331 201 E HA -0.183 4.167 4.350 -0.000 0.000 0.199 201 E C -0.150 176.371 176.600 -0.133 0.000 1.008 201 E CA 0.814 56.926 56.400 -0.481 0.000 0.843 201 E CB 0.368 29.804 29.700 -0.439 0.000 0.761 201 E HN 0.373 nan 8.360 nan 0.000 0.507 202 D N 0.712 121.075 120.400 -0.063 0.000 2.328 202 D HA 0.087 4.727 4.640 -0.000 0.000 0.221 202 D C 0.696 177.016 176.300 0.033 0.000 1.072 202 D CA -0.147 53.856 54.000 0.005 0.000 0.850 202 D CB -0.092 40.706 40.800 -0.003 0.000 0.922 202 D HN 0.322 nan 8.370 nan 0.000 0.516 203 I N 1.458 122.055 120.570 0.045 0.000 2.775 203 I HA -0.088 4.082 4.170 -0.000 0.000 0.290 203 I C 0.877 177.040 176.117 0.077 0.000 1.203 203 I CA -0.010 61.330 61.300 0.066 0.000 1.433 203 I CB 0.603 38.661 38.000 0.097 0.000 1.354 203 I HN -0.054 nan 8.210 nan 0.000 0.579 204 S N 7.014 122.748 115.700 0.056 0.000 2.634 204 S HA 0.199 4.669 4.470 -0.000 0.000 0.261 204 S C 1.327 175.956 174.600 0.048 0.000 1.271 204 S CA -0.745 57.484 58.200 0.049 0.000 0.985 204 S CB 1.066 64.287 63.200 0.036 0.000 0.968 204 S HN 0.614 nan 8.310 nan 0.000 0.568 205 I N 1.112 121.707 120.570 0.042 0.000 2.127 205 I HA -0.152 4.018 4.170 -0.000 0.000 0.241 205 I C 2.710 178.853 176.117 0.044 0.000 1.075 205 I CA 1.802 63.127 61.300 0.041 0.000 1.334 205 I CB -1.902 36.132 38.000 0.057 0.000 1.040 205 I HN 0.925 nan 8.210 nan 0.000 0.405 206 E N 0.646 120.870 120.200 0.040 0.000 2.097 206 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 206 E C 2.296 178.902 176.600 0.010 0.000 1.000 206 E CA 1.469 57.885 56.400 0.027 0.000 0.804 206 E CB -0.281 29.430 29.700 0.019 0.000 0.740 206 E HN 0.538 nan 8.360 nan 0.000 0.454 207 G N 1.276 110.087 108.800 0.018 0.000 2.511 207 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 207 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 207 G C 1.570 176.485 174.900 0.025 0.000 1.218 207 G CA 0.936 46.048 45.100 0.019 0.000 0.788 207 G HN 0.229 nan 8.290 nan 0.000 0.560 208 L N -0.071 121.187 121.223 0.059 0.000 2.081 208 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 208 L C 3.044 179.925 176.870 0.019 0.000 1.080 208 L CA 1.101 55.981 54.840 0.068 0.000 0.754 208 L CB -0.275 41.787 42.059 0.004 0.000 0.893 208 L HN 0.254 nan 8.230 nan 0.000 0.433 209 M N -0.479 119.127 119.600 0.010 0.000 2.632 209 M HA -0.151 4.329 4.480 -0.000 0.000 0.256 209 M C 1.870 178.153 176.300 -0.027 0.000 1.080 209 M CA 1.167 56.486 55.300 0.033 0.000 1.084 209 M CB -0.229 32.425 32.600 0.091 0.000 1.439 209 M HN 0.374 nan 8.290 nan 0.000 0.509 210 E N -1.098 119.020 120.200 -0.137 0.000 2.371 210 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 210 E C 1.237 177.620 176.600 -0.362 0.000 1.012 210 E CA 0.635 56.886 56.400 -0.248 0.000 0.860 210 E CB -0.153 29.370 29.700 -0.293 0.000 0.811 210 E HN 0.606 nan 8.360 nan 0.000 0.502 211 H N 0.736 119.806 119.070 0.000 0.000 2.486 211 H HA 0.281 4.837 4.556 -0.000 0.000 0.287 211 H C 0.747 176.067 175.328 -0.012 0.000 1.010 211 H CA 0.525 56.568 56.048 -0.009 0.000 1.324 211 H CB 0.830 30.582 29.762 -0.017 0.000 1.446 211 H HN 0.116 nan 8.280 nan 0.000 0.537 212 I N 3.662 124.275 120.570 0.071 0.000 2.668 212 I HA 0.121 4.291 4.170 -0.000 0.000 0.276 212 I C -1.794 174.390 176.117 0.112 0.000 1.139 212 I CA -1.488 59.842 61.300 0.050 0.000 1.133 212 I CB 2.214 40.168 38.000 -0.076 0.000 1.327 212 I HN -0.116 nan 8.210 nan 0.000 0.520 213 P HA 0.053 nan 4.420 nan 0.000 0.230 213 P C 0.616 178.014 177.300 0.163 0.000 1.158 213 P CA 0.767 63.932 63.100 0.109 0.000 0.769 213 P CB 0.742 32.468 31.700 0.043 0.000 0.807 214 G N -1.035 107.897 108.800 0.220 0.000 2.328 214 G HA2 0.331 4.291 3.960 -0.000 0.000 0.295 214 G HA3 0.331 4.291 3.960 -0.000 0.000 0.295 214 G C -3.560 171.365 174.900 0.042 0.000 1.413 214 G CA -0.896 44.283 45.100 0.132 0.000 0.817 214 G HN -0.311 nan 8.290 nan 0.000 0.546 215 P HA 0.322 nan 4.420 nan 0.000 0.269 215 P C -1.054 175.766 177.300 -0.801 0.000 1.215 215 P CA 0.149 62.726 63.100 -0.872 0.000 0.780 215 P CB 0.935 31.965 31.700 -1.116 0.000 0.898 216 D N 1.714 121.615 120.400 -0.832 0.000 2.469 216 D HA 0.334 4.974 4.640 -0.000 0.000 0.251 216 D C -1.190 174.722 176.300 -0.648 0.000 1.173 216 D CA -0.444 53.219 54.000 -0.563 0.000 0.882 216 D CB 0.085 40.730 40.800 -0.258 0.000 1.129 216 D HN -0.017 nan 8.370 nan 0.000 0.549 217 F N 3.487 123.253 119.950 -0.307 0.000 2.375 217 F HA 0.336 4.863 4.527 -0.000 0.000 0.333 217 F C -1.005 174.633 175.800 -0.271 0.000 1.104 217 F CA -2.139 55.617 58.000 -0.407 0.000 1.149 217 F CB 0.898 39.679 39.000 -0.364 0.000 1.190 217 F HN 0.269 nan 8.300 nan 0.000 0.533 218 P HA -0.109 nan 4.420 nan 0.000 0.220 218 P C 0.891 178.229 177.300 0.063 0.000 1.148 218 P CA 1.473 64.553 63.100 -0.034 0.000 0.803 218 P CB -0.213 31.503 31.700 0.026 0.000 0.782 219 T N -4.353 110.291 114.554 0.150 0.000 3.206 219 T HA 0.653 5.003 4.350 -0.000 0.000 0.253 219 T C 0.921 175.693 174.700 0.121 0.000 1.042 219 T CA 0.094 62.286 62.100 0.153 0.000 0.931 219 T CB -0.594 68.395 68.868 0.201 0.000 1.029 219 T HN 0.234 nan 8.240 nan 0.000 0.564 220 A N 1.582 124.470 122.820 0.115 0.000 5.369 220 A HA 0.163 4.482 4.320 -0.000 0.000 0.298 220 A C 1.160 178.824 177.584 0.134 0.000 2.000 220 A CA 1.198 53.293 52.037 0.097 0.000 0.716 220 A CB -1.992 17.048 19.000 0.066 0.000 1.248 220 A HN 2.394 nan 8.150 nan 0.000 0.365 221 A N -2.553 120.328 122.820 0.102 0.000 6.365 221 A HA 0.136 4.455 4.320 -0.000 0.000 0.240 221 A C -0.002 177.648 177.584 0.110 0.000 2.238 221 A CA 1.203 53.302 52.037 0.103 0.000 0.699 221 A CB -1.721 17.332 19.000 0.088 0.000 0.959 221 A HN 2.359 nan 8.150 nan 0.000 0.362 222 I N -0.548 120.085 120.570 0.105 0.000 2.465 222 I HA 0.552 4.722 4.170 -0.000 0.000 0.291 222 I C -0.051 176.131 176.117 0.109 0.000 1.014 222 I CA -0.299 61.054 61.300 0.087 0.000 1.093 222 I CB 1.752 39.785 38.000 0.055 0.000 1.267 222 I HN 0.545 nan 8.210 nan 0.000 0.431 223 I N 5.022 125.656 120.570 0.107 0.000 2.331 223 I HA 0.217 4.387 4.170 -0.000 0.000 0.292 223 I C -0.245 175.913 176.117 0.068 0.000 0.998 223 I CA -0.320 61.048 61.300 0.113 0.000 1.267 223 I CB 1.234 39.284 38.000 0.083 0.000 1.386 223 I HN 0.569 nan 8.210 nan 0.000 0.476 224 N N 5.737 124.488 118.700 0.086 0.000 2.558 224 N HA 0.602 5.342 4.740 -0.000 0.000 0.242 224 N C -0.479 175.061 175.510 0.050 0.000 0.979 224 N CA -0.020 53.054 53.050 0.040 0.000 0.931 224 N CB 1.205 39.699 38.487 0.011 0.000 1.122 224 N HN 0.868 nan 8.380 nan 0.000 0.508 225 G N 2.497 111.309 108.800 0.020 0.000 2.907 225 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.686 225 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.686 225 G C 0.131 175.042 174.900 0.019 0.000 1.115 225 G CA -0.689 44.422 45.100 0.017 0.000 0.760 225 G HN 0.645 nan 8.290 nan 0.000 0.620 226 R N 0.731 121.232 120.500 0.001 0.000 2.282 226 R HA 0.091 4.431 4.340 -0.000 0.000 0.195 226 R C 2.653 178.939 176.300 -0.023 0.000 0.909 226 R CA 0.811 56.901 56.100 -0.017 0.000 1.039 226 R CB 0.141 30.433 30.300 -0.015 0.000 1.015 226 R HN 0.685 nan 8.270 nan 0.000 0.513 227 R N 0.125 120.624 120.500 -0.002 0.000 2.115 227 R HA 0.052 4.392 4.340 -0.000 0.000 0.230 227 R C 2.121 178.418 176.300 -0.006 0.000 1.111 227 R CA 1.397 57.496 56.100 -0.001 0.000 0.976 227 R CB -0.759 29.547 30.300 0.009 0.000 0.870 227 R HN 0.092 nan 8.270 nan 0.000 0.445 228 G N 2.138 110.945 108.800 0.011 0.000 2.440 228 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.218 228 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.218 228 G C 1.503 176.351 174.900 -0.087 0.000 1.154 228 G CA 1.147 46.247 45.100 0.001 0.000 0.767 228 G HN 0.236 nan 8.290 nan 0.000 0.552 229 I N 0.033 120.512 120.570 -0.152 0.000 2.113 229 I HA -0.141 4.029 4.170 -0.000 0.000 0.238 229 I C 2.745 178.633 176.117 -0.381 0.000 1.070 229 I CA 1.257 62.331 61.300 -0.377 0.000 1.332 229 I CB -0.319 37.455 38.000 -0.377 0.000 1.044 229 I HN 0.134 nan 8.210 nan 0.000 0.402 230 E N 1.330 121.434 120.200 -0.161 0.000 2.086 230 E HA -0.337 4.012 4.350 -0.000 0.000 0.205 230 E C 2.001 178.596 176.600 -0.008 0.000 1.027 230 E CA 2.152 58.530 56.400 -0.037 0.000 0.830 230 E CB -0.217 29.480 29.700 -0.006 0.000 0.751 230 E HN 0.503 nan 8.360 nan 0.000 0.456 231 E N -0.388 119.800 120.200 -0.021 0.000 2.058 231 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 231 E C 1.982 178.592 176.600 0.016 0.000 0.997 231 E CA 1.402 57.806 56.400 0.005 0.000 0.801 231 E CB -0.200 29.504 29.700 0.007 0.000 0.746 231 E HN 0.301 nan 8.360 nan 0.000 0.450 232 A N 0.059 122.861 122.820 -0.030 0.000 1.902 232 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 232 A C 1.906 179.579 177.584 0.149 0.000 1.181 232 A CA 1.353 53.397 52.037 0.012 0.000 0.623 232 A CB -0.729 18.233 19.000 -0.063 0.000 0.818 232 A HN 0.401 nan 8.150 nan 0.000 0.443 233 Y N -0.637 119.674 120.300 0.017 0.000 2.395 233 Y HA 0.009 4.559 4.550 -0.000 0.000 0.293 233 Y C 2.442 178.338 175.900 -0.006 0.000 1.123 233 Y CA 0.910 59.009 58.100 -0.001 0.000 1.227 233 Y CB -0.578 37.879 38.460 -0.004 0.000 1.012 233 Y HN 0.385 nan 8.280 nan 0.000 0.552 234 R N -0.148 120.452 120.500 0.166 0.000 2.093 234 R HA -0.078 4.261 4.340 -0.000 0.000 0.224 234 R C 1.834 178.172 176.300 0.063 0.000 1.101 234 R CA 1.814 57.968 56.100 0.091 0.000 0.979 234 R CB -0.021 30.321 30.300 0.069 0.000 0.877 234 R HN 0.366 nan 8.270 nan 0.000 0.441 235 T N -4.875 109.716 114.554 0.062 0.000 2.985 235 T HA 0.264 4.614 4.350 -0.000 0.000 0.254 235 T C 1.207 175.933 174.700 0.044 0.000 1.021 235 T CA 0.453 62.579 62.100 0.044 0.000 0.957 235 T CB 1.088 69.978 68.868 0.037 0.000 1.047 235 T HN 0.354 nan 8.240 nan 0.000 0.511 236 G N 1.589 110.428 108.800 0.064 0.000 2.176 236 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.253 236 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.253 236 G C 0.054 174.995 174.900 0.068 0.000 0.979 236 G CA 0.195 45.335 45.100 0.066 0.000 0.641 236 G HN 0.869 nan 8.290 nan 0.000 0.530 237 R N -0.178 120.357 120.500 0.058 0.000 2.574 237 R HA 0.613 4.953 4.340 -0.000 0.000 0.288 237 R C -0.149 176.174 176.300 0.039 0.000 1.004 237 R CA 0.180 56.308 56.100 0.047 0.000 0.895 237 R CB 1.435 31.755 30.300 0.033 0.000 1.191 237 R HN 1.172 nan 8.270 nan 0.000 0.444 238 G N 2.475 111.298 108.800 0.038 0.000 2.368 238 G HA2 0.205 4.165 3.960 -0.000 0.000 0.293 238 G HA3 0.205 4.165 3.960 -0.000 0.000 0.293 238 G C -2.125 172.793 174.900 0.030 0.000 1.467 238 G CA -0.801 44.313 45.100 0.024 0.000 0.804 238 G HN 0.500 nan 8.290 nan 0.000 0.535 239 K N -0.273 120.138 120.400 0.019 0.000 2.375 239 K HA 0.822 5.142 4.320 -0.000 0.000 0.249 239 K C -1.261 175.320 176.600 -0.032 0.000 0.942 239 K CA -0.688 55.590 56.287 -0.015 0.000 0.806 239 K CB 2.531 34.996 32.500 -0.057 0.000 1.227 239 K HN 0.448 nan 8.250 nan 0.000 0.430 240 V N 3.112 122.966 119.914 -0.099 0.000 3.040 240 V HA 0.468 4.587 4.120 -0.000 0.000 0.312 240 V C -1.590 174.363 176.094 -0.236 0.000 1.115 240 V CA -0.793 61.485 62.300 -0.037 0.000 0.998 240 V CB 1.942 33.780 31.823 0.025 0.000 1.042 240 V HN 0.700 nan 8.190 nan 0.000 0.433 241 Y N 2.865 123.208 120.300 0.071 0.000 2.352 241 Y HA 0.677 5.227 4.550 -0.000 0.000 0.339 241 Y C 0.140 176.081 175.900 0.068 0.000 0.992 241 Y CA -0.598 57.542 58.100 0.067 0.000 1.100 241 Y CB 1.508 39.986 38.460 0.031 0.000 1.192 241 Y HN 0.364 nan 8.280 nan 0.000 0.458 242 I N 3.709 124.371 120.570 0.153 0.000 2.460 242 I HA 0.594 4.763 4.170 -0.000 0.000 0.298 242 I C -0.298 175.889 176.117 0.116 0.000 0.989 242 I CA -0.959 60.401 61.300 0.100 0.000 1.173 242 I CB 1.903 39.872 38.000 -0.050 0.000 1.338 242 I HN 0.476 nan 8.210 nan 0.000 0.456 243 R N 3.691 124.255 120.500 0.108 0.000 2.628 243 R HA 0.719 5.059 4.340 -0.000 0.000 0.288 243 R C -0.908 175.493 176.300 0.169 0.000 0.980 243 R CA -0.615 55.567 56.100 0.136 0.000 0.891 243 R CB 2.010 32.329 30.300 0.032 0.000 1.188 243 R HN 0.825 nan 8.270 nan 0.000 0.450 244 A N 3.281 126.265 122.820 0.273 0.000 2.445 244 A HA 0.173 4.493 4.320 -0.000 0.000 0.242 244 A C -0.137 177.593 177.584 0.243 0.000 1.075 244 A CA -0.170 51.995 52.037 0.213 0.000 0.777 244 A CB 0.299 19.390 19.000 0.151 0.000 1.013 244 A HN 0.817 nan 8.150 nan 0.000 0.493 245 R N 1.324 121.927 120.500 0.173 0.000 2.196 245 R HA 0.542 4.882 4.340 -0.000 0.000 0.340 245 R C -0.365 176.059 176.300 0.207 0.000 1.043 245 R CA 0.537 56.743 56.100 0.177 0.000 0.883 245 R CB 0.186 30.567 30.300 0.135 0.000 1.078 245 R HN 0.937 nan 8.270 nan 0.000 0.462 246 A N 3.735 126.688 122.820 0.222 0.000 2.594 246 A HA 0.619 4.939 4.320 -0.000 0.000 0.291 246 A C -1.496 176.190 177.584 0.171 0.000 1.105 246 A CA -0.760 51.379 52.037 0.169 0.000 0.694 246 A CB 1.752 20.774 19.000 0.037 0.000 1.291 246 A HN 0.797 nan 8.150 nan 0.000 0.410 247 E N -0.176 120.099 120.200 0.125 0.000 2.437 247 E HA 0.514 4.864 4.350 -0.000 0.000 0.280 247 E C -1.847 174.791 176.600 0.062 0.000 1.044 247 E CA -0.598 55.865 56.400 0.105 0.000 0.826 247 E CB 1.031 30.797 29.700 0.110 0.000 1.358 247 E HN 0.580 nan 8.360 nan 0.000 0.459 248 V N 1.058 121.004 119.914 0.053 0.000 2.546 248 V HA 0.376 4.495 4.120 -0.000 0.000 0.284 248 V C 0.183 176.297 176.094 0.032 0.000 1.050 248 V CA -0.289 62.030 62.300 0.032 0.000 0.981 248 V CB 0.906 32.745 31.823 0.027 0.000 0.990 248 V HN 0.581 nan 8.190 nan 0.000 0.474 249 E N 2.277 122.490 120.200 0.022 0.000 2.256 249 E HA 0.651 5.001 4.350 -0.000 0.000 0.267 249 E C -1.545 175.063 176.600 0.013 0.000 0.892 249 E CA -0.682 55.731 56.400 0.021 0.000 0.775 249 E CB 2.557 32.270 29.700 0.022 0.000 1.207 249 E HN 0.467 nan 8.360 nan 0.000 0.420 250 V N 2.385 122.307 119.914 0.013 0.000 2.448 250 V HA 0.113 4.233 4.120 -0.000 0.000 0.295 250 V C -0.331 175.768 176.094 0.008 0.000 1.025 250 V CA -0.915 61.390 62.300 0.009 0.000 0.859 250 V CB 1.585 33.413 31.823 0.009 0.000 0.988 250 V HN 0.659 nan 8.190 nan 0.000 0.431 251 D N 3.938 124.341 120.400 0.005 0.000 2.382 251 D HA 0.215 4.855 4.640 -0.000 0.000 0.259 251 D C 1.171 177.474 176.300 0.004 0.000 1.224 251 D CA 0.492 54.494 54.000 0.004 0.000 0.894 251 D CB 1.857 42.658 40.800 0.001 0.000 1.127 251 D HN 0.634 nan 8.370 nan 0.000 0.487 252 A N 4.476 127.299 122.820 0.006 0.000 1.948 252 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 252 A C 2.176 179.762 177.584 0.004 0.000 1.177 252 A CA 2.629 54.669 52.037 0.005 0.000 0.636 252 A CB -0.661 18.342 19.000 0.006 0.000 0.815 252 A HN 0.661 nan 8.150 nan 0.000 0.449 253 K N -1.076 119.326 120.400 0.003 0.000 2.098 253 K HA -0.002 4.318 4.320 -0.000 0.000 0.203 253 K C 2.101 178.701 176.600 0.001 0.000 1.051 253 K CA 1.985 58.273 56.287 0.002 0.000 0.957 253 K CB -1.342 31.159 32.500 0.002 0.000 0.738 253 K HN 0.830 nan 8.250 nan 0.000 0.447 254 T N -4.996 109.558 114.554 0.001 0.000 3.037 254 T HA 0.354 4.704 4.350 -0.000 0.000 0.252 254 T C 1.891 176.591 174.700 0.000 0.000 1.073 254 T CA 1.263 63.363 62.100 -0.000 0.000 1.091 254 T CB 0.400 69.267 68.868 -0.001 0.000 0.935 254 T HN 1.351 nan 8.240 nan 0.000 0.488 255 G N 1.816 110.617 108.800 0.001 0.000 2.205 255 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.261 255 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.261 255 G C 0.215 175.116 174.900 0.001 0.000 0.980 255 G CA 0.201 45.302 45.100 0.001 0.000 0.632 255 G HN 0.864 nan 8.290 nan 0.000 0.533 256 R N 1.309 121.809 120.500 -0.001 0.000 2.623 256 R HA 0.411 4.750 4.340 -0.000 0.000 0.271 256 R C 0.055 176.354 176.300 -0.002 0.000 1.043 256 R CA 0.236 56.334 56.100 -0.002 0.000 1.083 256 R CB 0.216 30.514 30.300 -0.004 0.000 0.974 256 R HN 0.460 nan 8.270 nan 0.000 0.436 257 E N 1.685 121.883 120.200 -0.003 0.000 2.216 257 E HA 0.198 4.548 4.350 -0.000 0.000 0.279 257 E C -0.990 175.605 176.600 -0.008 0.000 0.997 257 E CA -0.327 56.072 56.400 -0.002 0.000 0.817 257 E CB 1.932 31.632 29.700 -0.001 0.000 1.096 257 E HN 0.513 nan 8.360 nan 0.000 0.393 258 T N 3.151 117.700 114.554 -0.008 0.000 2.841 258 T HA 0.392 4.742 4.350 -0.000 0.000 0.285 258 T C -0.060 174.627 174.700 -0.021 0.000 0.991 258 T CA -0.605 61.484 62.100 -0.018 0.000 0.966 258 T CB 0.629 69.485 68.868 -0.021 0.000 0.962 258 T HN 0.296 nan 8.240 nan 0.000 0.438 259 I N 3.967 124.517 120.570 -0.034 0.000 2.471 259 I HA 0.250 4.419 4.170 -0.000 0.000 0.286 259 I C -0.232 175.841 176.117 -0.074 0.000 1.079 259 I CA -0.373 60.899 61.300 -0.046 0.000 1.398 259 I CB 0.495 38.458 38.000 -0.062 0.000 1.403 259 I HN 0.344 nan 8.210 nan 0.000 0.530 260 I N 7.712 128.228 120.570 -0.090 0.000 2.362 260 I HA 0.272 4.442 4.170 -0.000 0.000 0.289 260 I C -0.129 175.845 176.117 -0.239 0.000 0.994 260 I CA -0.644 60.544 61.300 -0.187 0.000 1.158 260 I CB 1.566 39.421 38.000 -0.242 0.000 1.315 260 I HN 0.115 nan 8.210 nan 0.000 0.451 261 V N 6.843 126.618 119.914 -0.231 0.000 2.383 261 V HA 0.286 4.405 4.120 -0.000 0.000 0.275 261 V C 1.069 177.042 176.094 -0.202 0.000 1.036 261 V CA -0.408 61.792 62.300 -0.165 0.000 0.889 261 V CB 0.895 32.651 31.823 -0.112 0.000 0.985 261 V HN 0.667 nan 8.190 nan 0.000 0.459 262 H N 2.644 121.718 119.070 0.008 0.000 2.506 262 H HA 0.330 4.886 4.556 -0.000 0.000 0.289 262 H C 0.115 175.453 175.328 0.018 0.000 1.009 262 H CA 0.380 56.436 56.048 0.013 0.000 1.303 262 H CB 1.283 31.058 29.762 0.021 0.000 1.453 262 H HN 0.617 nan 8.280 nan 0.000 0.526 263 E N 1.045 121.333 120.200 0.146 0.000 2.331 263 E HA 0.458 4.808 4.350 -0.000 0.000 0.275 263 E C -0.785 175.860 176.600 0.074 0.000 0.895 263 E CA -0.509 55.951 56.400 0.099 0.000 0.753 263 E CB 3.298 33.060 29.700 0.104 0.000 1.216 263 E HN 0.149 nan 8.360 nan 0.000 0.434 264 I N -2.280 118.320 120.570 0.049 0.000 3.108 264 I HA 0.685 4.855 4.170 -0.000 0.000 0.312 264 I C -2.714 173.414 176.117 0.019 0.000 1.095 264 I CA -3.106 58.212 61.300 0.031 0.000 1.000 264 I CB 1.728 39.727 38.000 -0.002 0.000 1.229 264 I HN 0.184 nan 8.210 nan 0.000 0.454 265 P HA 0.023 nan 4.420 nan 0.000 0.271 265 P C -1.046 176.210 177.300 -0.073 0.000 1.218 265 P CA 0.151 63.213 63.100 -0.064 0.000 0.780 265 P CB 0.143 31.818 31.700 -0.042 0.000 0.901 266 Y N 3.139 123.202 120.300 -0.395 0.000 2.944 266 Y HA -0.201 4.349 4.550 -0.000 0.000 0.340 266 Y C 1.413 177.240 175.900 -0.122 0.000 1.275 266 Y CA 1.149 59.063 58.100 -0.310 0.000 1.590 266 Y CB -0.495 37.546 38.460 -0.698 0.000 1.218 266 Y HN 0.583 nan 8.280 nan 0.000 0.576 267 Q N 0.809 120.389 119.800 -0.367 0.000 2.374 267 Q HA -0.205 4.134 4.340 -0.000 0.000 0.218 267 Q C -0.559 175.335 176.000 -0.177 0.000 0.691 267 Q CA 0.779 56.363 55.803 -0.366 0.000 1.340 267 Q CB -1.677 26.762 28.738 -0.498 0.000 1.498 267 Q HN 0.420 nan 8.270 nan 0.000 0.739 268 V N 1.897 121.740 119.914 -0.118 0.000 2.583 268 V HA 0.157 4.277 4.120 -0.000 0.000 0.287 268 V C 0.566 176.600 176.094 -0.099 0.000 1.051 268 V CA -0.323 61.924 62.300 -0.089 0.000 1.010 268 V CB 1.437 33.223 31.823 -0.062 0.000 0.988 268 V HN 0.211 nan 8.190 nan 0.000 0.478 269 N N 4.157 122.800 118.700 -0.095 0.000 2.430 269 N HA 0.106 4.846 4.740 -0.000 0.000 0.265 269 N C 0.807 176.258 175.510 -0.098 0.000 1.100 269 N CA 0.017 53.002 53.050 -0.109 0.000 0.961 269 N CB 1.132 39.564 38.487 -0.091 0.000 1.075 269 N HN 0.734 nan 8.380 nan 0.000 0.478 270 K N 3.991 124.321 120.400 -0.116 0.000 1.978 270 K HA -0.157 4.163 4.320 -0.000 0.000 0.214 270 K C 1.686 178.238 176.600 -0.081 0.000 1.049 270 K CA 1.741 57.971 56.287 -0.095 0.000 0.939 270 K CB -0.333 32.104 32.500 -0.104 0.000 0.721 270 K HN 0.594 nan 8.250 nan 0.000 0.441 271 A N 1.310 124.080 122.820 -0.083 0.000 1.915 271 A HA -0.282 4.038 4.320 -0.000 0.000 0.220 271 A C 2.165 179.715 177.584 -0.057 0.000 1.198 271 A CA 2.181 54.178 52.037 -0.066 0.000 0.647 271 A CB -0.742 18.219 19.000 -0.064 0.000 0.825 271 A HN 0.315 nan 8.150 nan 0.000 0.456 272 R N -0.861 119.604 120.500 -0.059 0.000 2.080 272 R HA -0.109 4.231 4.340 -0.000 0.000 0.236 272 R C 2.109 178.380 176.300 -0.049 0.000 1.137 272 R CA 1.660 57.729 56.100 -0.051 0.000 0.943 272 R CB -1.237 29.032 30.300 -0.052 0.000 0.846 272 R HN 0.561 nan 8.270 nan 0.000 0.431 273 L N 0.345 121.535 121.223 -0.055 0.000 2.042 273 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 273 L C 1.997 178.835 176.870 -0.054 0.000 1.076 273 L CA 1.714 56.522 54.840 -0.053 0.000 0.749 273 L CB -0.449 41.575 42.059 -0.058 0.000 0.893 273 L HN 0.241 nan 8.230 nan 0.000 0.432 274 I N -0.355 120.182 120.570 -0.056 0.000 2.142 274 I HA -0.317 3.853 4.170 -0.000 0.000 0.240 274 I C 2.454 178.544 176.117 -0.046 0.000 1.078 274 I CA 1.732 63.000 61.300 -0.053 0.000 1.343 274 I CB -0.392 37.576 38.000 -0.053 0.000 1.046 274 I HN 0.338 nan 8.210 nan 0.000 0.405 275 E N 0.491 120.666 120.200 -0.042 0.000 2.130 275 E HA -0.308 4.042 4.350 -0.000 0.000 0.196 275 E C 2.054 178.633 176.600 -0.034 0.000 0.998 275 E CA 1.272 57.651 56.400 -0.036 0.000 0.806 275 E CB -0.075 29.605 29.700 -0.033 0.000 0.738 275 E HN 0.149 nan 8.360 nan 0.000 0.459 276 K N 1.199 121.577 120.400 -0.036 0.000 2.097 276 K HA -0.102 4.217 4.320 -0.000 0.000 0.206 276 K C 1.727 178.307 176.600 -0.033 0.000 1.049 276 K CA 1.153 57.421 56.287 -0.032 0.000 0.933 276 K CB -0.337 32.144 32.500 -0.032 0.000 0.717 276 K HN 0.150 nan 8.250 nan 0.000 0.442 277 I N 0.159 120.705 120.570 -0.040 0.000 2.179 277 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 277 I C 2.234 178.330 176.117 -0.036 0.000 1.088 277 I CA 1.225 62.500 61.300 -0.042 0.000 1.357 277 I CB -0.540 37.428 38.000 -0.053 0.000 1.051 277 I HN 0.165 nan 8.210 nan 0.000 0.409 278 A N 0.375 123.174 122.820 -0.035 0.000 1.917 278 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 278 A C 2.370 179.939 177.584 -0.025 0.000 1.182 278 A CA 2.240 54.260 52.037 -0.030 0.000 0.633 278 A CB -0.691 18.292 19.000 -0.029 0.000 0.819 278 A HN 0.547 nan 8.150 nan 0.000 0.448 279 E N -0.175 120.010 120.200 -0.025 0.000 2.046 279 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 279 E C 2.079 178.667 176.600 -0.019 0.000 0.982 279 E CA 0.859 57.247 56.400 -0.021 0.000 0.800 279 E CB -0.235 29.453 29.700 -0.020 0.000 0.756 279 E HN 0.610 nan 8.360 nan 0.000 0.449 280 L N 0.776 121.986 121.223 -0.021 0.000 2.013 280 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 280 L C 2.693 179.551 176.870 -0.019 0.000 1.073 280 L CA 1.158 55.986 54.840 -0.019 0.000 0.753 280 L CB -0.529 41.517 42.059 -0.022 0.000 0.890 280 L HN 0.104 nan 8.230 nan 0.000 0.432 281 V N 0.260 120.161 119.914 -0.022 0.000 2.220 281 V HA -0.364 3.756 4.120 -0.000 0.000 0.246 281 V C 3.083 179.167 176.094 -0.017 0.000 1.049 281 V CA 2.734 65.022 62.300 -0.020 0.000 1.003 281 V CB -1.047 30.762 31.823 -0.023 0.000 0.634 281 V HN 0.562 nan 8.190 nan 0.000 0.444 282 K N -0.283 120.107 120.400 -0.017 0.000 2.189 282 K HA -0.295 4.024 4.320 -0.000 0.000 0.207 282 K C 1.720 178.313 176.600 -0.013 0.000 1.046 282 K CA 2.306 58.584 56.287 -0.014 0.000 0.928 282 K CB -0.909 31.582 32.500 -0.014 0.000 0.720 282 K HN 0.732 nan 8.250 nan 0.000 0.458 283 E N -0.805 119.388 120.200 -0.013 0.000 2.445 283 E HA 0.037 4.387 4.350 -0.000 0.000 0.189 283 E C 0.171 176.766 176.600 -0.010 0.000 1.069 283 E CA 0.065 56.459 56.400 -0.011 0.000 0.871 283 E CB 0.175 29.869 29.700 -0.010 0.000 0.991 283 E HN 0.320 nan 8.360 nan 0.000 0.481 284 K N -1.212 119.181 120.400 -0.010 0.000 3.363 284 K HA -0.285 4.035 4.320 -0.000 0.000 0.313 284 K C 1.427 178.022 176.600 -0.009 0.000 1.259 284 K CA 1.296 57.577 56.287 -0.009 0.000 0.942 284 K CB -2.029 30.466 32.500 -0.008 0.000 1.229 284 K HN 0.232 nan 8.250 nan 0.000 0.440 285 R N -0.992 119.503 120.500 -0.009 0.000 2.096 285 R HA 0.066 4.406 4.340 -0.000 0.000 0.235 285 R C 1.265 177.560 176.300 -0.009 0.000 1.127 285 R CA 1.527 57.623 56.100 -0.008 0.000 0.968 285 R CB -0.052 30.243 30.300 -0.009 0.000 0.861 285 R HN 0.404 nan 8.270 nan 0.000 0.440 286 V N 0.686 120.593 119.914 -0.012 0.000 2.656 286 V HA 0.411 4.531 4.120 -0.000 0.000 0.307 286 V C -0.497 175.589 176.094 -0.014 0.000 1.051 286 V CA -0.871 61.420 62.300 -0.013 0.000 0.893 286 V CB 2.066 33.878 31.823 -0.019 0.000 0.999 286 V HN 0.399 nan 8.190 nan 0.000 0.426 287 E N 1.889 122.082 120.200 -0.012 0.000 2.339 287 E HA 0.727 5.077 4.350 -0.000 0.000 0.262 287 E C 0.603 177.195 176.600 -0.013 0.000 0.934 287 E CA -0.343 56.050 56.400 -0.012 0.000 0.802 287 E CB 1.999 31.694 29.700 -0.009 0.000 1.275 287 E HN 0.969 nan 8.360 nan 0.000 0.427 288 G N 0.518 109.310 108.800 -0.012 0.000 2.159 288 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.227 288 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.227 288 G C -0.124 174.766 174.900 -0.016 0.000 0.986 288 G CA -0.317 44.776 45.100 -0.012 0.000 0.651 288 G HN 0.334 nan 8.290 nan 0.000 0.523 289 I N 1.612 122.171 120.570 -0.019 0.000 2.404 289 I HA 0.475 4.645 4.170 -0.000 0.000 0.293 289 I C 1.272 177.376 176.117 -0.020 0.000 0.992 289 I CA -0.045 61.241 61.300 -0.023 0.000 1.149 289 I CB 2.003 39.986 38.000 -0.029 0.000 1.315 289 I HN 0.183 nan 8.210 nan 0.000 0.446 290 S N 3.569 119.257 115.700 -0.020 0.000 2.578 290 S HA 0.650 5.120 4.470 -0.000 0.000 0.228 290 S C 0.255 174.844 174.600 -0.019 0.000 1.022 290 S CA -0.100 58.089 58.200 -0.018 0.000 0.967 290 S CB 0.755 63.946 63.200 -0.015 0.000 0.914 290 S HN 0.741 nan 8.310 nan 0.000 0.515 291 A N 0.549 123.355 122.820 -0.023 0.000 2.594 291 A HA 0.694 5.014 4.320 -0.000 0.000 0.296 291 A C -2.161 175.405 177.584 -0.031 0.000 1.056 291 A CA -0.606 51.416 52.037 -0.025 0.000 0.693 291 A CB 1.146 20.133 19.000 -0.022 0.000 1.278 291 A HN 0.567 nan 8.150 nan 0.000 0.408 292 L N 1.203 122.407 121.223 -0.032 0.000 2.439 292 L HA 0.870 5.210 4.340 -0.000 0.000 0.270 292 L C -0.517 176.330 176.870 -0.037 0.000 0.972 292 L CA 0.013 54.831 54.840 -0.038 0.000 0.836 292 L CB 1.542 43.578 42.059 -0.038 0.000 1.255 292 L HN 0.789 nan 8.230 nan 0.000 0.404 293 R N 2.514 122.989 120.500 -0.041 0.000 2.604 293 R HA 0.415 4.755 4.340 -0.000 0.000 0.281 293 R C -1.605 174.668 176.300 -0.045 0.000 1.020 293 R CA -0.840 55.237 56.100 -0.039 0.000 0.899 293 R CB 1.787 32.067 30.300 -0.034 0.000 1.205 293 R HN 0.518 nan 8.270 nan 0.000 0.450 294 D N 1.525 121.900 120.400 -0.042 0.000 2.295 294 D HA 0.078 4.717 4.640 -0.000 0.000 0.248 294 D C -0.180 176.098 176.300 -0.038 0.000 1.154 294 D CA 0.198 54.171 54.000 -0.045 0.000 0.857 294 D CB 1.213 41.986 40.800 -0.044 0.000 1.117 294 D HN 0.530 nan 8.370 nan 0.000 0.468 295 E N 1.095 121.271 120.200 -0.040 0.000 2.624 295 E HA 0.124 4.474 4.350 -0.000 0.000 0.210 295 E C -0.407 176.179 176.600 -0.024 0.000 0.997 295 E CA -0.240 56.142 56.400 -0.030 0.000 0.999 295 E CB 0.536 30.216 29.700 -0.032 0.000 1.040 295 E HN 0.294 nan 8.360 nan 0.000 0.469 296 S N 1.784 117.468 115.700 -0.026 0.000 2.533 296 S HA 0.072 4.542 4.470 -0.000 0.000 0.282 296 S C 0.041 174.638 174.600 -0.005 0.000 1.304 296 S CA -0.243 57.948 58.200 -0.016 0.000 1.063 296 S CB 0.833 64.019 63.200 -0.023 0.000 0.881 296 S HN 0.139 nan 8.310 nan 0.000 0.493 297 D N 2.040 122.444 120.400 0.007 0.000 2.506 297 D HA 0.362 5.002 4.640 -0.000 0.000 0.272 297 D C 1.564 177.876 176.300 0.020 0.000 1.214 297 D CA -0.465 53.543 54.000 0.013 0.000 1.067 297 D CB 0.254 41.066 40.800 0.019 0.000 1.117 297 D HN 0.456 nan 8.370 nan 0.000 0.578 298 K N 0.140 120.555 120.400 0.026 0.000 2.293 298 K HA -0.187 4.133 4.320 -0.000 0.000 0.204 298 K C 1.253 177.877 176.600 0.040 0.000 1.045 298 K CA 1.901 58.211 56.287 0.037 0.000 0.933 298 K CB -0.504 32.019 32.500 0.037 0.000 0.736 298 K HN 0.333 nan 8.250 nan 0.000 0.463 299 D N -1.428 118.992 120.400 0.034 0.000 2.259 299 D HA 0.166 4.806 4.640 -0.000 0.000 0.216 299 D C 0.928 177.253 176.300 0.042 0.000 0.961 299 D CA 1.449 55.471 54.000 0.037 0.000 0.878 299 D CB 0.496 41.316 40.800 0.032 0.000 1.009 299 D HN 0.536 nan 8.370 nan 0.000 0.490 300 G N -0.189 108.636 108.800 0.041 0.000 2.718 300 G HA2 0.456 4.416 3.960 -0.000 0.000 0.295 300 G HA3 0.456 4.416 3.960 -0.000 0.000 0.295 300 G C -1.215 173.708 174.900 0.039 0.000 1.421 300 G CA -0.750 44.382 45.100 0.054 0.000 0.902 300 G HN -0.009 nan 8.290 nan 0.000 0.501 301 M N 1.164 120.791 119.600 0.045 0.000 2.233 301 M HA 0.625 5.105 4.480 -0.000 0.000 0.350 301 M C 0.045 176.340 176.300 -0.008 0.000 1.176 301 M CA -0.273 55.035 55.300 0.013 0.000 1.150 301 M CB 0.775 33.385 32.600 0.017 0.000 1.530 301 M HN 0.518 nan 8.290 nan 0.000 0.459 302 R N 5.848 126.319 120.500 -0.050 0.000 2.921 302 R HA 0.404 4.744 4.340 -0.000 0.000 0.269 302 R C -1.966 174.272 176.300 -0.104 0.000 1.696 302 R CA -0.313 55.725 56.100 -0.104 0.000 1.161 302 R CB 0.664 30.922 30.300 -0.070 0.000 1.337 302 R HN 0.779 nan 8.270 nan 0.000 0.496 303 I N 3.980 124.476 120.570 -0.124 0.000 2.342 303 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 303 I C -0.054 175.997 176.117 -0.110 0.000 1.010 303 I CA -0.985 60.254 61.300 -0.102 0.000 1.308 303 I CB 1.807 39.751 38.000 -0.094 0.000 1.400 303 I HN 0.128 nan 8.210 nan 0.000 0.488 304 V N 8.021 127.885 119.914 -0.084 0.000 2.347 304 V HA 0.425 4.545 4.120 -0.000 0.000 0.280 304 V C -0.017 176.039 176.094 -0.064 0.000 1.021 304 V CA -0.342 61.913 62.300 -0.074 0.000 0.847 304 V CB 1.402 33.191 31.823 -0.057 0.000 0.990 304 V HN 0.478 nan 8.190 nan 0.000 0.444 305 I N 4.250 124.781 120.570 -0.065 0.000 2.411 305 I HA 0.403 4.573 4.170 -0.000 0.000 0.284 305 I C 0.110 176.200 176.117 -0.045 0.000 1.012 305 I CA -0.392 60.874 61.300 -0.057 0.000 1.119 305 I CB 1.689 39.648 38.000 -0.068 0.000 1.261 305 I HN 0.533 nan 8.210 nan 0.000 0.448 306 E N 5.238 125.416 120.200 -0.036 0.000 2.223 306 E HA 0.268 4.618 4.350 -0.000 0.000 0.282 306 E C -0.657 175.928 176.600 -0.025 0.000 1.046 306 E CA -0.528 55.856 56.400 -0.028 0.000 0.857 306 E CB 1.663 31.349 29.700 -0.023 0.000 1.055 306 E HN 0.318 nan 8.360 nan 0.000 0.409 307 V N 4.734 124.636 119.914 -0.021 0.000 2.521 307 V HA 0.001 4.121 4.120 -0.000 0.000 0.286 307 V C 0.589 176.675 176.094 -0.013 0.000 1.034 307 V CA -0.217 62.073 62.300 -0.017 0.000 1.045 307 V CB 0.393 32.209 31.823 -0.013 0.000 0.974 307 V HN 0.625 nan 8.190 nan 0.000 0.480 308 K N 4.106 124.498 120.400 -0.012 0.000 2.527 308 K HA 0.016 4.336 4.320 -0.000 0.000 0.278 308 K C 1.167 177.763 176.600 -0.007 0.000 0.981 308 K CA -0.292 55.989 56.287 -0.010 0.000 1.009 308 K CB 0.373 32.868 32.500 -0.009 0.000 0.895 308 K HN 0.421 nan 8.250 nan 0.000 0.493 309 R N 2.006 122.503 120.500 -0.006 0.000 2.152 309 R HA -0.136 4.203 4.340 -0.000 0.000 0.232 309 R C 1.049 177.347 176.300 -0.003 0.000 1.117 309 R CA 1.583 57.681 56.100 -0.004 0.000 0.981 309 R CB -0.465 29.833 30.300 -0.004 0.000 0.870 309 R HN 0.766 nan 8.270 nan 0.000 0.451 310 D N -1.120 119.277 120.400 -0.004 0.000 2.339 310 D HA 0.107 4.747 4.640 -0.000 0.000 0.217 310 D C 0.277 176.576 176.300 -0.003 0.000 1.050 310 D CA -0.032 53.966 54.000 -0.003 0.000 0.856 310 D CB 0.088 40.887 40.800 -0.003 0.000 0.922 310 D HN 0.039 nan 8.370 nan 0.000 0.518 311 A N -0.019 122.799 122.820 -0.003 0.000 2.269 311 A HA 0.646 4.966 4.320 -0.000 0.000 0.327 311 A C -0.493 177.091 177.584 -0.001 0.000 1.112 311 A CA -0.717 51.318 52.037 -0.003 0.000 0.865 311 A CB 1.584 20.581 19.000 -0.005 0.000 1.227 311 A HN 0.026 nan 8.150 nan 0.000 0.498 312 V N 1.212 121.126 119.914 0.001 0.000 2.398 312 V HA 0.427 4.547 4.120 -0.000 0.000 0.286 312 V C 1.624 177.721 176.094 0.005 0.000 1.026 312 V CA 0.262 62.565 62.300 0.004 0.000 0.868 312 V CB 0.808 32.635 31.823 0.006 0.000 0.982 312 V HN 1.213 nan 8.190 nan 0.000 0.443 313 G N 2.891 111.694 108.800 0.006 0.000 2.672 313 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 313 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 313 G C 1.242 176.151 174.900 0.016 0.000 1.238 313 G CA 0.898 46.002 45.100 0.007 0.000 0.791 313 G HN 0.682 nan 8.290 nan 0.000 0.606 314 E N 0.032 120.248 120.200 0.025 0.000 2.147 314 E HA -0.124 4.226 4.350 -0.000 0.000 0.199 314 E C 2.836 179.461 176.600 0.042 0.000 1.005 314 E CA 0.961 57.386 56.400 0.040 0.000 0.810 314 E CB -0.591 29.130 29.700 0.035 0.000 0.736 314 E HN 0.329 nan 8.360 nan 0.000 0.460 315 V N 0.094 120.023 119.914 0.026 0.000 2.283 315 V HA -0.188 3.932 4.120 -0.000 0.000 0.243 315 V C 2.535 178.641 176.094 0.020 0.000 1.039 315 V CA 1.186 63.500 62.300 0.023 0.000 1.016 315 V CB -0.467 31.364 31.823 0.014 0.000 0.650 315 V HN 0.060 nan 8.190 nan 0.000 0.449 316 V N -0.046 119.872 119.914 0.007 0.000 2.252 316 V HA -0.293 3.827 4.120 -0.000 0.000 0.249 316 V C 2.445 178.530 176.094 -0.016 0.000 1.056 316 V CA 2.336 64.631 62.300 -0.008 0.000 1.022 316 V CB -0.674 31.139 31.823 -0.017 0.000 0.641 316 V HN 0.504 nan 8.190 nan 0.000 0.445 317 L N 0.818 122.036 121.223 -0.008 0.000 2.012 317 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 317 L C 2.214 179.112 176.870 0.048 0.000 1.073 317 L CA 2.057 56.880 54.840 -0.028 0.000 0.748 317 L CB -1.080 40.992 42.059 0.021 0.000 0.891 317 L HN 0.347 nan 8.230 nan 0.000 0.431 318 N N -0.183 118.597 118.700 0.133 0.000 2.244 318 N HA -0.163 4.576 4.740 -0.000 0.000 0.183 318 N C 1.623 177.212 175.510 0.133 0.000 1.016 318 N CA 1.169 54.340 53.050 0.201 0.000 0.866 318 N CB -0.479 38.085 38.487 0.128 0.000 0.980 318 N HN 0.533 nan 8.380 nan 0.000 0.430 319 N N 1.258 119.994 118.700 0.060 0.000 2.043 319 N HA -0.103 4.637 4.740 -0.000 0.000 0.193 319 N C 1.912 177.432 175.510 0.017 0.000 1.037 319 N CA 0.856 53.925 53.050 0.032 0.000 0.851 319 N CB -0.221 38.271 38.487 0.008 0.000 1.027 319 N HN 0.199 nan 8.380 nan 0.000 0.422 320 L N 0.164 121.365 121.223 -0.036 0.000 2.013 320 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 320 L C 2.319 179.140 176.870 -0.082 0.000 1.073 320 L CA 1.480 56.260 54.840 -0.100 0.000 0.753 320 L CB -0.787 41.153 42.059 -0.199 0.000 0.890 320 L HN 0.207 nan 8.230 nan 0.000 0.432 321 Y N 0.353 120.654 120.300 0.003 0.000 2.193 321 Y HA -0.268 4.282 4.550 -0.000 0.000 0.285 321 Y C 2.881 178.788 175.900 0.012 0.000 1.166 321 Y CA 1.673 59.778 58.100 0.009 0.000 1.181 321 Y CB -0.493 37.972 38.460 0.008 0.000 0.976 321 Y HN 0.311 nan 8.280 nan 0.000 0.520 322 S N -1.575 114.221 115.700 0.159 0.000 2.597 322 S HA 0.117 4.587 4.470 -0.000 0.000 0.224 322 S C 0.964 175.601 174.600 0.061 0.000 0.955 322 S CA -0.067 58.195 58.200 0.103 0.000 0.933 322 S CB 0.104 63.350 63.200 0.076 0.000 0.788 322 S HN 0.528 nan 8.310 nan 0.000 0.488 323 Q N 0.650 120.476 119.800 0.043 0.000 2.081 323 Q HA 0.187 4.527 4.340 -0.000 0.000 0.220 323 Q C 0.152 176.157 176.000 0.007 0.000 0.775 323 Q CA 0.395 56.210 55.803 0.020 0.000 0.983 323 Q CB 1.640 30.382 28.738 0.007 0.000 1.188 323 Q HN 0.726 nan 8.270 nan 0.000 0.458 324 T N -3.683 110.876 114.554 0.007 0.000 2.742 324 T HA 0.248 4.598 4.350 -0.000 0.000 0.282 324 T C 0.272 174.980 174.700 0.012 0.000 1.025 324 T CA -0.719 61.376 62.100 -0.008 0.000 1.020 324 T CB 1.309 70.152 68.868 -0.041 0.000 1.317 324 T HN -0.096 nan 8.240 nan 0.000 0.538 325 Q N 0.172 119.970 119.800 -0.002 0.000 2.329 325 Q HA 0.259 4.599 4.340 -0.000 0.000 0.208 325 Q C 1.586 177.599 176.000 0.022 0.000 0.934 325 Q CA -0.051 55.759 55.803 0.011 0.000 0.951 325 Q CB -0.483 28.247 28.738 -0.013 0.000 1.017 325 Q HN 0.567 nan 8.270 nan 0.000 0.490 326 L N -0.091 121.139 121.223 0.011 0.000 2.191 326 L HA -0.131 4.208 4.340 -0.000 0.000 0.212 326 L C 1.168 178.169 176.870 0.219 0.000 1.103 326 L CA 1.141 55.996 54.840 0.025 0.000 0.769 326 L CB 0.047 41.982 42.059 -0.206 0.000 0.908 326 L HN 0.264 nan 8.230 nan 0.000 0.438 327 Q N -0.330 119.611 119.800 0.235 0.000 2.375 327 Q HA 0.612 4.952 4.340 -0.000 0.000 0.271 327 Q C -1.583 174.512 176.000 0.158 0.000 1.074 327 Q CA -0.401 55.538 55.803 0.227 0.000 0.808 327 Q CB 2.866 31.760 28.738 0.260 0.000 1.327 327 Q HN -0.160 nan 8.270 nan 0.000 0.441 328 V N 1.930 121.932 119.914 0.146 0.000 3.012 328 V HA 0.475 4.594 4.120 -0.000 0.000 0.307 328 V C -0.866 175.254 176.094 0.044 0.000 1.166 328 V CA -0.587 61.763 62.300 0.083 0.000 0.974 328 V CB 2.530 34.374 31.823 0.035 0.000 1.040 328 V HN 0.970 nan 8.190 nan 0.000 0.428 329 S N 3.095 118.755 115.700 -0.065 0.000 2.617 329 S HA 0.798 5.268 4.470 -0.000 0.000 0.283 329 S C -1.016 173.528 174.600 -0.093 0.000 1.189 329 S CA -0.419 57.603 58.200 -0.296 0.000 1.036 329 S CB 1.643 64.553 63.200 -0.482 0.000 1.014 329 S HN 0.704 nan 8.310 nan 0.000 0.522 330 F N 1.127 120.937 119.950 -0.234 0.000 2.539 330 F HA 0.624 5.151 4.527 -0.000 0.000 0.328 330 F C 0.166 175.912 175.800 -0.090 0.000 1.148 330 F CA -0.660 57.282 58.000 -0.096 0.000 0.940 330 F CB 1.313 40.314 39.000 0.002 0.000 1.194 330 F HN 0.898 nan 8.300 nan 0.000 0.438 331 G N 7.427 116.111 108.800 -0.193 0.000 2.350 331 G HA2 0.461 4.421 3.960 -0.000 0.000 0.306 331 G HA3 0.461 4.421 3.960 -0.000 0.000 0.306 331 G C -0.438 174.490 174.900 0.047 0.000 1.094 331 G CA -0.492 44.570 45.100 -0.063 0.000 0.953 331 G HN 0.679 nan 8.290 nan 0.000 0.420 332 I N 2.538 123.233 120.570 0.209 0.000 2.441 332 I HA 0.159 4.328 4.170 -0.000 0.000 0.287 332 I C 0.067 176.262 176.117 0.131 0.000 1.049 332 I CA -0.408 61.048 61.300 0.260 0.000 1.381 332 I CB 1.234 39.373 38.000 0.232 0.000 1.409 332 I HN 0.326 nan 8.210 nan 0.000 0.523 333 N N 7.668 126.442 118.700 0.124 0.000 2.732 333 N HA 0.224 4.964 4.740 -0.000 0.000 0.247 333 N C -0.878 174.677 175.510 0.075 0.000 1.305 333 N CA -0.410 52.682 53.050 0.070 0.000 0.762 333 N CB 0.884 39.389 38.487 0.029 0.000 1.361 333 N HN 0.500 nan 8.380 nan 0.000 0.545 334 M N 2.264 121.911 119.600 0.079 0.000 3.254 334 M HA 0.169 4.649 4.480 -0.000 0.000 0.257 334 M C -0.264 176.051 176.300 0.025 0.000 1.490 334 M CA -0.029 55.309 55.300 0.063 0.000 1.620 334 M CB -0.298 32.340 32.600 0.064 0.000 1.157 334 M HN -0.039 nan 8.290 nan 0.000 0.541 335 V N 2.079 122.007 119.914 0.023 0.000 2.370 335 V HA 0.799 4.919 4.120 -0.000 0.000 0.283 335 V C 0.180 176.274 176.094 0.001 0.000 1.023 335 V CA -0.422 61.882 62.300 0.007 0.000 0.857 335 V CB 1.330 33.158 31.823 0.009 0.000 0.985 335 V HN 0.824 nan 8.190 nan 0.000 0.443 336 A N 4.483 127.296 122.820 -0.012 0.000 2.552 336 A HA 0.921 5.241 4.320 -0.000 0.000 0.288 336 A C -1.436 176.144 177.584 -0.007 0.000 1.193 336 A CA -0.758 51.270 52.037 -0.015 0.000 0.713 336 A CB 1.453 20.434 19.000 -0.032 0.000 1.305 336 A HN 0.711 nan 8.150 nan 0.000 0.424 337 L N 0.786 122.004 121.223 -0.010 0.000 2.276 337 L HA 0.672 5.011 4.340 -0.000 0.000 0.286 337 L C -0.797 176.085 176.870 0.021 0.000 1.061 337 L CA 0.253 55.092 54.840 -0.001 0.000 0.807 337 L CB 0.718 42.761 42.059 -0.025 0.000 1.177 337 L HN 0.789 nan 8.230 nan 0.000 0.429 338 H N 3.703 122.697 119.070 -0.126 0.000 3.017 338 H HA 0.378 4.934 4.556 -0.000 0.000 0.340 338 H C -0.818 174.393 175.328 -0.196 0.000 1.014 338 H CA -0.556 55.342 56.048 -0.250 0.000 1.341 338 H CB 0.482 30.110 29.762 -0.223 0.000 1.739 338 H HN 0.687 nan 8.280 nan 0.000 0.506 339 H N 3.629 122.496 119.070 -0.339 0.000 2.506 339 H HA -0.178 4.378 4.556 -0.000 0.000 0.323 339 H C 1.414 176.682 175.328 -0.101 0.000 1.076 339 H CA 1.439 57.346 56.048 -0.234 0.000 1.108 339 H CB -1.546 28.049 29.762 -0.279 0.000 1.569 339 H HN 1.126 nan 8.280 nan 0.000 0.399 340 G N 0.213 109.007 108.800 -0.011 0.000 2.187 340 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.261 340 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.261 340 G C 0.062 174.969 174.900 0.012 0.000 1.000 340 G CA 0.853 45.955 45.100 0.002 0.000 0.718 340 G HN 0.609 nan 8.290 nan 0.000 0.519 341 Q N -0.854 118.959 119.800 0.021 0.000 2.389 341 Q HA 0.426 4.765 4.340 -0.000 0.000 0.277 341 Q C -2.948 173.072 176.000 0.033 0.000 1.082 341 Q CA -2.025 53.797 55.803 0.032 0.000 0.810 341 Q CB 2.434 31.203 28.738 0.051 0.000 1.374 341 Q HN 0.111 nan 8.270 nan 0.000 0.422 342 P HA 0.162 nan 4.420 nan 0.000 0.270 342 P C -0.548 176.768 177.300 0.028 0.000 1.242 342 P CA 0.164 63.274 63.100 0.017 0.000 0.768 342 P CB 0.581 32.284 31.700 0.006 0.000 0.820 343 K N 3.523 123.940 120.400 0.028 0.000 2.371 343 K HA 0.453 4.773 4.320 -0.000 0.000 0.251 343 K C -0.628 175.971 176.600 -0.002 0.000 0.934 343 K CA -1.202 55.101 56.287 0.026 0.000 0.798 343 K CB 2.193 34.725 32.500 0.054 0.000 1.204 343 K HN 0.363 nan 8.250 nan 0.000 0.427 344 I N 4.060 124.630 120.570 0.001 0.000 2.441 344 I HA 0.224 4.394 4.170 -0.000 0.000 0.287 344 I C -0.794 175.310 176.117 -0.022 0.000 1.049 344 I CA 0.125 61.423 61.300 -0.004 0.000 1.381 344 I CB 0.350 38.355 38.000 0.008 0.000 1.409 344 I HN 0.518 nan 8.210 nan 0.000 0.523 345 M N 6.677 126.256 119.600 -0.035 0.000 2.457 345 M HA 0.392 4.872 4.480 -0.000 0.000 0.300 345 M C -0.723 175.553 176.300 -0.040 0.000 1.141 345 M CA -0.912 54.348 55.300 -0.067 0.000 0.901 345 M CB 1.980 34.497 32.600 -0.139 0.000 1.687 345 M HN 0.651 nan 8.290 nan 0.000 0.449 346 N N 1.119 119.794 118.700 -0.042 0.000 2.418 346 N HA 0.304 5.043 4.740 -0.000 0.000 0.283 346 N C 0.317 175.782 175.510 -0.075 0.000 1.267 346 N CA -0.753 52.287 53.050 -0.017 0.000 0.975 346 N CB 0.500 38.989 38.487 0.002 0.000 1.167 346 N HN 0.709 nan 8.380 nan 0.000 0.581 347 L N -0.454 120.718 121.223 -0.086 0.000 2.046 347 L HA 0.011 4.351 4.340 -0.000 0.000 0.208 347 L C 2.138 178.876 176.870 -0.221 0.000 1.077 347 L CA 1.864 56.565 54.840 -0.232 0.000 0.747 347 L CB -0.941 40.862 42.059 -0.427 0.000 0.896 347 L HN 0.821 nan 8.230 nan 0.000 0.432 348 K N -0.718 119.590 120.400 -0.153 0.000 2.057 348 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 348 K C 1.779 178.251 176.600 -0.213 0.000 1.049 348 K CA 1.756 57.945 56.287 -0.163 0.000 0.931 348 K CB -0.169 32.294 32.500 -0.062 0.000 0.714 348 K HN 0.409 nan 8.250 nan 0.000 0.440 349 D N 0.665 120.968 120.400 -0.162 0.000 2.123 349 D HA -0.173 4.466 4.640 -0.000 0.000 0.196 349 D C 1.956 178.117 176.300 -0.231 0.000 0.992 349 D CA 1.335 55.224 54.000 -0.184 0.000 0.833 349 D CB -0.092 40.605 40.800 -0.172 0.000 0.954 349 D HN 0.321 nan 8.370 nan 0.000 0.455 350 I N 1.045 121.483 120.570 -0.219 0.000 2.202 350 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 350 I C 2.367 178.372 176.117 -0.188 0.000 1.091 350 I CA 0.416 61.593 61.300 -0.204 0.000 1.368 350 I CB -0.082 37.800 38.000 -0.197 0.000 1.058 350 I HN -0.037 nan 8.210 nan 0.000 0.410 351 I N 1.374 121.796 120.570 -0.247 0.000 2.091 351 I HA -0.337 3.833 4.170 -0.000 0.000 0.239 351 I C 2.932 178.880 176.117 -0.282 0.000 1.061 351 I CA 1.994 63.145 61.300 -0.248 0.000 1.317 351 I CB -1.631 36.159 38.000 -0.350 0.000 1.031 351 I HN 0.207 nan 8.210 nan 0.000 0.401 352 A N 0.981 123.487 122.820 -0.523 0.000 1.917 352 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 352 A C 2.560 180.082 177.584 -0.103 0.000 1.182 352 A CA 2.433 54.198 52.037 -0.453 0.000 0.633 352 A CB -0.873 17.904 19.000 -0.372 0.000 0.819 352 A HN 0.490 nan 8.150 nan 0.000 0.448 353 A N -1.500 121.277 122.820 -0.071 0.000 1.972 353 A HA -0.002 4.318 4.320 -0.000 0.000 0.219 353 A C 2.022 179.658 177.584 0.087 0.000 1.169 353 A CA 1.608 53.664 52.037 0.032 0.000 0.635 353 A CB -0.612 18.368 19.000 -0.033 0.000 0.810 353 A HN 0.760 nan 8.150 nan 0.000 0.446 354 F N 0.426 120.338 119.950 -0.064 0.000 2.128 354 F HA -0.069 4.457 4.527 -0.000 0.000 0.295 354 F C 2.174 177.993 175.800 0.033 0.000 1.100 354 F CA 1.735 59.727 58.000 -0.013 0.000 1.260 354 F CB -0.410 38.549 39.000 -0.069 0.000 1.009 354 F HN -0.000 nan 8.300 nan 0.000 0.476 355 V N 1.245 121.103 119.914 -0.093 0.000 2.332 355 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 355 V C 2.699 178.731 176.094 -0.103 0.000 1.055 355 V CA 2.018 64.234 62.300 -0.139 0.000 1.038 355 V CB -0.776 31.119 31.823 0.119 0.000 0.651 355 V HN 0.264 nan 8.190 nan 0.000 0.450 356 R N -0.528 119.971 120.500 -0.002 0.000 2.105 356 R HA -0.189 4.150 4.340 -0.000 0.000 0.239 356 R C 2.272 178.573 176.300 0.003 0.000 1.135 356 R CA 1.977 58.097 56.100 0.033 0.000 0.967 356 R CB -0.980 29.376 30.300 0.093 0.000 0.861 356 R HN 0.735 nan 8.270 nan 0.000 0.442 357 H N 0.624 119.616 119.070 -0.130 0.000 2.326 357 H HA 0.004 4.559 4.556 -0.000 0.000 0.301 357 H C 1.869 177.078 175.328 -0.198 0.000 1.081 357 H CA 1.734 57.697 56.048 -0.141 0.000 1.334 357 H CB 0.127 29.812 29.762 -0.128 0.000 1.385 357 H HN -0.084 nan 8.280 nan 0.000 0.504 358 R N 0.544 120.800 120.500 -0.406 0.000 2.113 358 R HA -0.173 4.167 4.340 -0.000 0.000 0.244 358 R C 2.570 178.716 176.300 -0.257 0.000 1.142 358 R CA 1.769 57.619 56.100 -0.416 0.000 0.953 358 R CB -0.855 29.152 30.300 -0.488 0.000 0.860 358 R HN 0.436 nan 8.270 nan 0.000 0.438 359 R N 0.948 121.343 120.500 -0.175 0.000 2.073 359 R HA -0.139 4.200 4.340 -0.000 0.000 0.234 359 R C 2.189 178.430 176.300 -0.099 0.000 1.134 359 R CA 1.960 57.998 56.100 -0.103 0.000 0.952 359 R CB -0.230 30.039 30.300 -0.052 0.000 0.850 359 R HN 0.394 nan 8.270 nan 0.000 0.433 360 E N -0.255 119.881 120.200 -0.107 0.000 2.072 360 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 360 E C 1.833 178.353 176.600 -0.134 0.000 0.985 360 E CA 1.451 57.797 56.400 -0.091 0.000 0.801 360 E CB 0.109 29.776 29.700 -0.055 0.000 0.750 360 E HN 0.259 nan 8.360 nan 0.000 0.452 361 V N 0.654 120.419 119.914 -0.249 0.000 2.261 361 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 361 V C 2.492 178.499 176.094 -0.144 0.000 1.047 361 V CA 1.494 63.642 62.300 -0.253 0.000 1.015 361 V CB -0.287 31.295 31.823 -0.402 0.000 0.642 361 V HN 0.214 nan 8.190 nan 0.000 0.446 362 V N -0.111 119.721 119.914 -0.136 0.000 2.287 362 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 362 V C 2.572 178.639 176.094 -0.044 0.000 1.053 362 V CA 2.708 64.960 62.300 -0.079 0.000 1.027 362 V CB -1.053 30.724 31.823 -0.078 0.000 0.646 362 V HN 0.639 nan 8.190 nan 0.000 0.447 363 T N -0.204 114.323 114.554 -0.046 0.000 2.652 363 T HA -0.243 4.107 4.350 -0.000 0.000 0.267 363 T C 2.033 176.735 174.700 0.004 0.000 1.039 363 T CA 1.837 63.927 62.100 -0.018 0.000 1.153 363 T CB -0.294 68.562 68.868 -0.019 0.000 0.863 363 T HN 0.448 nan 8.240 nan 0.000 0.428 364 R N 0.524 121.022 120.500 -0.004 0.000 2.091 364 R HA -0.050 4.289 4.340 -0.000 0.000 0.238 364 R C 2.701 179.038 176.300 0.061 0.000 1.136 364 R CA 1.348 57.464 56.100 0.026 0.000 0.959 364 R CB -0.286 30.014 30.300 -0.000 0.000 0.856 364 R HN 0.307 nan 8.270 nan 0.000 0.437 365 R N 0.400 120.915 120.500 0.025 0.000 2.080 365 R HA -0.144 4.196 4.340 -0.000 0.000 0.236 365 R C 1.911 178.288 176.300 0.128 0.000 1.137 365 R CA 2.213 58.346 56.100 0.055 0.000 0.943 365 R CB -0.311 29.996 30.300 0.012 0.000 0.846 365 R HN 0.187 nan 8.270 nan 0.000 0.431 366 T N 1.366 115.965 114.554 0.075 0.000 2.652 366 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 366 T C 1.893 176.643 174.700 0.083 0.000 1.039 366 T CA 1.763 63.904 62.100 0.068 0.000 1.153 366 T CB -0.271 68.615 68.868 0.031 0.000 0.863 366 T HN 0.219 nan 8.240 nan 0.000 0.428 367 I N 0.492 121.112 120.570 0.083 0.000 2.185 367 I HA -0.221 3.949 4.170 -0.000 0.000 0.246 367 I C 2.156 178.343 176.117 0.116 0.000 1.088 367 I CA 1.615 62.965 61.300 0.083 0.000 1.347 367 I CB -0.434 37.615 38.000 0.082 0.000 1.041 367 I HN 0.170 nan 8.210 nan 0.000 0.415 368 F N 1.810 121.770 119.950 0.017 0.000 2.163 368 F HA -0.143 4.384 4.527 -0.001 0.000 0.297 368 F C 2.467 178.281 175.800 0.023 0.000 1.094 368 F CA 1.442 59.457 58.000 0.025 0.000 1.290 368 F CB -0.216 38.801 39.000 0.029 0.000 1.017 368 F HN 0.024 nan 8.300 nan 0.000 0.483 369 E N 0.273 120.557 120.200 0.140 0.000 2.150 369 E HA -0.195 4.154 4.350 -0.000 0.000 0.193 369 E C 2.113 178.661 176.600 -0.086 0.000 0.985 369 E CA 1.220 57.634 56.400 0.023 0.000 0.814 369 E CB -0.494 29.272 29.700 0.109 0.000 0.752 369 E HN 0.426 nan 8.360 nan 0.000 0.466 370 L N 1.571 122.762 121.223 -0.053 0.000 2.044 370 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 370 L C 2.543 179.359 176.870 -0.092 0.000 1.075 370 L CA 1.610 56.415 54.840 -0.059 0.000 0.747 370 L CB -0.425 41.618 42.059 -0.025 0.000 0.903 370 L HN -0.099 nan 8.230 nan 0.000 0.435 371 R N -0.117 120.317 120.500 -0.110 0.000 2.080 371 R HA -0.245 4.095 4.340 -0.000 0.000 0.236 371 R C 2.478 178.674 176.300 -0.174 0.000 1.137 371 R CA 2.137 58.170 56.100 -0.111 0.000 0.943 371 R CB -0.411 29.833 30.300 -0.093 0.000 0.846 371 R HN 0.360 nan 8.270 nan 0.000 0.431 372 K N -0.264 119.914 120.400 -0.371 0.000 2.059 372 K HA -0.225 4.095 4.320 -0.000 0.000 0.212 372 K C 1.929 178.434 176.600 -0.160 0.000 1.050 372 K CA 1.889 57.967 56.287 -0.348 0.000 0.927 372 K CB -0.264 31.930 32.500 -0.510 0.000 0.714 372 K HN 0.345 nan 8.250 nan 0.000 0.447 373 A N 1.098 123.835 122.820 -0.139 0.000 1.873 373 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 373 A C 2.132 179.659 177.584 -0.095 0.000 1.186 373 A CA 1.485 53.461 52.037 -0.101 0.000 0.616 373 A CB -0.508 18.435 19.000 -0.096 0.000 0.823 373 A HN 0.335 nan 8.150 nan 0.000 0.442 374 R N -0.295 120.150 120.500 -0.090 0.000 2.094 374 R HA -0.180 4.160 4.340 -0.000 0.000 0.239 374 R C 1.774 178.062 176.300 -0.019 0.000 1.137 374 R CA 1.946 57.998 56.100 -0.080 0.000 0.943 374 R CB -0.457 29.784 30.300 -0.098 0.000 0.850 374 R HN 0.512 nan 8.270 nan 0.000 0.433 375 D N -0.609 119.809 120.400 0.030 0.000 2.117 375 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 375 D C 1.892 178.278 176.300 0.142 0.000 0.987 375 D CA 1.072 55.159 54.000 0.145 0.000 0.829 375 D CB -0.079 40.824 40.800 0.172 0.000 0.961 375 D HN 0.007 nan 8.370 nan 0.000 0.460 376 R N 0.973 121.505 120.500 0.054 0.000 2.075 376 R HA 0.063 4.403 4.340 -0.000 0.000 0.232 376 R C 1.871 178.195 176.300 0.040 0.000 1.126 376 R CA 1.647 57.770 56.100 0.039 0.000 0.963 376 R CB -0.805 29.492 30.300 -0.005 0.000 0.858 376 R HN 0.083 nan 8.270 nan 0.000 0.435 377 A N 0.578 123.389 122.820 -0.015 0.000 1.865 377 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 377 A C 2.248 179.914 177.584 0.136 0.000 1.191 377 A CA 1.845 53.842 52.037 -0.067 0.000 0.623 377 A CB -1.278 17.550 19.000 -0.286 0.000 0.826 377 A HN 0.674 nan 8.150 nan 0.000 0.444 378 H N -0.164 118.929 119.070 0.039 0.000 2.357 378 H HA -0.158 4.398 4.556 -0.000 0.000 0.296 378 H C 1.895 177.287 175.328 0.107 0.000 1.108 378 H CA 2.154 58.249 56.048 0.079 0.000 1.273 378 H CB -0.078 29.680 29.762 -0.007 0.000 1.367 378 H HN 0.384 nan 8.280 nan 0.000 0.498 379 I N 0.413 121.038 120.570 0.091 0.000 2.286 379 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 379 I C 2.570 178.679 176.117 -0.014 0.000 1.104 379 I CA 0.440 61.751 61.300 0.019 0.000 1.397 379 I CB -0.728 37.313 38.000 0.068 0.000 1.072 379 I HN 0.232 nan 8.210 nan 0.000 0.417 380 L N 1.007 122.261 121.223 0.052 0.000 2.127 380 L HA -0.186 4.153 4.340 -0.000 0.000 0.211 380 L C 2.444 179.314 176.870 -0.000 0.000 1.089 380 L CA 1.617 56.498 54.840 0.068 0.000 0.757 380 L CB -0.856 41.323 42.059 0.200 0.000 0.899 380 L HN 0.269 nan 8.230 nan 0.000 0.434 381 E N -0.845 119.366 120.200 0.020 0.000 2.007 381 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 381 E C 2.227 178.606 176.600 -0.368 0.000 0.999 381 E CA 1.256 57.569 56.400 -0.145 0.000 0.811 381 E CB -0.331 29.378 29.700 0.015 0.000 0.762 381 E HN 0.492 nan 8.360 nan 0.000 0.450 382 A N 1.399 124.000 122.820 -0.365 0.000 1.971 382 A HA -0.234 4.085 4.320 -0.000 0.000 0.222 382 A C 2.205 179.611 177.584 -0.298 0.000 1.182 382 A CA 1.411 53.221 52.037 -0.379 0.000 0.649 382 A CB -0.779 18.089 19.000 -0.220 0.000 0.818 382 A HN 0.157 nan 8.150 nan 0.000 0.458 383 L N -1.306 119.793 121.223 -0.206 0.000 2.005 383 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 383 L C 3.160 179.916 176.870 -0.190 0.000 1.072 383 L CA 1.091 55.831 54.840 -0.167 0.000 0.744 383 L CB -0.819 41.179 42.059 -0.103 0.000 0.895 383 L HN 0.446 nan 8.230 nan 0.000 0.433 384 A N -0.293 122.408 122.820 -0.199 0.000 1.958 384 A HA -0.197 4.123 4.320 -0.000 0.000 0.221 384 A C 2.317 179.780 177.584 -0.201 0.000 1.178 384 A CA 2.177 54.099 52.037 -0.192 0.000 0.642 384 A CB -0.840 18.016 19.000 -0.239 0.000 0.816 384 A HN 0.251 nan 8.150 nan 0.000 0.453 385 V N -0.745 118.995 119.914 -0.291 0.000 2.302 385 V HA -0.114 4.006 4.120 -0.000 0.000 0.243 385 V C 3.031 178.944 176.094 -0.301 0.000 1.036 385 V CA 1.609 63.728 62.300 -0.302 0.000 1.020 385 V CB -1.102 30.434 31.823 -0.480 0.000 0.657 385 V HN 0.618 nan 8.190 nan 0.000 0.453 386 A N -0.411 122.194 122.820 -0.357 0.000 1.986 386 A HA -0.248 4.071 4.320 -0.000 0.000 0.220 386 A C 2.149 179.594 177.584 -0.233 0.000 1.171 386 A CA 2.174 53.993 52.037 -0.363 0.000 0.640 386 A CB -0.549 18.267 19.000 -0.306 0.000 0.811 386 A HN 0.435 nan 8.150 nan 0.000 0.451 387 L N -0.859 120.263 121.223 -0.169 0.000 2.044 387 L HA 0.058 4.398 4.340 -0.000 0.000 0.205 387 L C 2.726 179.552 176.870 -0.074 0.000 1.075 387 L CA 1.814 56.594 54.840 -0.100 0.000 0.747 387 L CB -0.546 41.473 42.059 -0.066 0.000 0.903 387 L HN 0.330 nan 8.230 nan 0.000 0.435 388 A N -1.305 121.471 122.820 -0.074 0.000 2.209 388 A HA -0.064 4.256 4.320 -0.000 0.000 0.212 388 A C 1.346 178.916 177.584 -0.023 0.000 1.158 388 A CA 1.180 53.194 52.037 -0.039 0.000 0.742 388 A CB -0.665 18.318 19.000 -0.027 0.000 0.790 388 A HN 0.667 nan 8.150 nan 0.000 0.472 389 N N -0.708 117.954 118.700 -0.063 0.000 2.351 389 N HA 0.256 4.996 4.740 -0.000 0.000 0.254 389 N C 0.559 176.029 175.510 -0.068 0.000 1.241 389 N CA -0.119 52.918 53.050 -0.021 0.000 0.883 389 N CB 0.384 38.873 38.487 0.003 0.000 1.202 389 N HN 0.337 nan 8.380 nan 0.000 0.512 390 I N 1.450 121.978 120.570 -0.069 0.000 2.094 390 I HA -0.422 3.747 4.170 -0.000 0.000 0.236 390 I C 2.001 178.104 176.117 -0.023 0.000 1.016 390 I CA 1.674 62.937 61.300 -0.061 0.000 1.294 390 I CB -0.210 37.765 38.000 -0.041 0.000 1.006 390 I HN 0.218 nan 8.210 nan 0.000 0.397 391 D N 0.337 120.742 120.400 0.008 0.000 2.087 391 D HA -0.147 4.493 4.640 -0.000 0.000 0.192 391 D C -0.236 176.104 176.300 0.067 0.000 0.993 391 D CA 1.906 55.925 54.000 0.032 0.000 0.828 391 D CB -1.722 39.098 40.800 0.034 0.000 0.968 391 D HN 0.272 nan 8.370 nan 0.000 0.448 392 P HA -0.151 nan 4.420 nan 0.000 0.215 392 P C 1.880 179.302 177.300 0.202 0.000 1.163 392 P CA 0.974 64.192 63.100 0.198 0.000 0.894 392 P CB -0.133 31.781 31.700 0.356 0.000 0.791 393 I N -1.134 119.501 120.570 0.108 0.000 2.163 393 I HA -0.243 3.927 4.170 -0.000 0.000 0.243 393 I C 2.232 178.367 176.117 0.031 0.000 1.085 393 I CA 1.332 62.631 61.300 -0.001 0.000 1.347 393 I CB -0.688 37.169 38.000 -0.237 0.000 1.044 393 I HN -0.125 nan 8.210 nan 0.000 0.408 394 I N 0.512 121.092 120.570 0.016 0.000 2.208 394 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 394 I C 2.579 178.729 176.117 0.055 0.000 1.097 394 I CA 1.641 62.955 61.300 0.023 0.000 1.363 394 I CB -1.452 36.555 38.000 0.013 0.000 1.051 394 I HN 0.315 nan 8.210 nan 0.000 0.413 395 E N 1.504 121.750 120.200 0.076 0.000 2.110 395 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 395 E C 2.268 178.952 176.600 0.140 0.000 0.988 395 E CA 0.994 57.454 56.400 0.101 0.000 0.804 395 E CB -0.388 29.373 29.700 0.100 0.000 0.745 395 E HN 0.476 nan 8.360 nan 0.000 0.458 396 L N -0.026 121.282 121.223 0.142 0.000 1.976 396 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 396 L C 2.774 179.726 176.870 0.138 0.000 1.071 396 L CA 1.861 56.789 54.840 0.147 0.000 0.746 396 L CB -0.619 41.560 42.059 0.200 0.000 0.890 396 L HN 0.351 nan 8.230 nan 0.000 0.432 397 I N -0.912 119.720 120.570 0.104 0.000 2.264 397 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 397 I C 2.695 178.862 176.117 0.083 0.000 1.111 397 I CA 2.086 63.434 61.300 0.079 0.000 1.382 397 I CB -1.246 36.781 38.000 0.044 0.000 1.060 397 I HN 0.346 nan 8.210 nan 0.000 0.418 398 R N -1.049 119.501 120.500 0.084 0.000 2.081 398 R HA -0.231 4.109 4.340 -0.000 0.000 0.235 398 R C 2.373 178.721 176.300 0.081 0.000 1.131 398 R CA 2.014 58.153 56.100 0.065 0.000 0.960 398 R CB -0.734 29.594 30.300 0.046 0.000 0.856 398 R HN 0.866 nan 8.270 nan 0.000 0.436 399 H N 0.033 119.122 119.070 0.031 0.000 2.390 399 H HA -0.029 4.527 4.556 -0.000 0.000 0.298 399 H C 0.549 175.894 175.328 0.028 0.000 1.106 399 H CA 1.011 57.077 56.048 0.030 0.000 1.297 399 H CB -0.028 29.756 29.762 0.036 0.000 1.375 399 H HN 0.306 nan 8.280 nan 0.000 0.509 400 A N 0.347 123.278 122.820 0.184 0.000 2.448 400 A HA 0.113 4.433 4.320 -0.000 0.000 0.239 400 A C -1.030 176.599 177.584 0.076 0.000 1.080 400 A CA -0.467 51.642 52.037 0.121 0.000 0.779 400 A CB 0.062 19.116 19.000 0.091 0.000 1.026 400 A HN 0.453 nan 8.150 nan 0.000 0.499 401 P HA 0.249 nan 4.420 nan 0.000 0.214 401 P C 0.603 177.924 177.300 0.034 0.000 1.119 401 P CA 1.480 64.604 63.100 0.041 0.000 0.921 401 P CB 0.044 31.767 31.700 0.039 0.000 0.820 402 T N 0.319 114.894 114.554 0.037 0.000 2.859 402 T HA 0.483 4.833 4.350 -0.000 0.000 0.281 402 T C -1.891 172.829 174.700 0.035 0.000 1.005 402 T CA -2.186 59.932 62.100 0.031 0.000 1.025 402 T CB 0.995 69.880 68.868 0.028 0.000 0.977 402 T HN -0.281 nan 8.240 nan 0.000 0.458 403 P HA -0.205 nan 4.420 nan 0.000 0.216 403 P C 1.940 179.261 177.300 0.034 0.000 1.157 403 P CA 1.935 65.053 63.100 0.030 0.000 0.880 403 P CB 0.006 31.720 31.700 0.022 0.000 0.791 404 A N 0.070 122.909 122.820 0.031 0.000 1.882 404 A HA -0.381 3.938 4.320 -0.000 0.000 0.220 404 A C 2.477 180.087 177.584 0.042 0.000 1.253 404 A CA 3.660 55.717 52.037 0.034 0.000 0.664 404 A CB -1.752 17.265 19.000 0.029 0.000 0.838 404 A HN 0.294 nan 8.150 nan 0.000 0.460 405 E N -0.921 119.305 120.200 0.043 0.000 2.086 405 E HA -0.111 4.239 4.350 -0.000 0.000 0.200 405 E C 2.402 179.036 176.600 0.058 0.000 1.012 405 E CA 2.819 59.248 56.400 0.049 0.000 0.812 405 E CB -1.360 28.370 29.700 0.051 0.000 0.743 405 E HN 1.406 nan 8.360 nan 0.000 0.453 406 A N 0.692 123.548 122.820 0.060 0.000 2.019 406 A HA 0.121 4.441 4.320 -0.000 0.000 0.219 406 A C 2.611 180.241 177.584 0.077 0.000 1.164 406 A CA 3.042 55.121 52.037 0.070 0.000 0.644 406 A CB -0.736 18.300 19.000 0.061 0.000 0.805 406 A HN 0.740 nan 8.150 nan 0.000 0.449 407 K N -0.436 120.004 120.400 0.066 0.000 1.973 407 K HA -0.122 4.198 4.320 -0.000 0.000 0.210 407 K C 2.271 178.927 176.600 0.093 0.000 1.045 407 K CA 2.339 58.670 56.287 0.073 0.000 0.937 407 K CB -2.087 30.448 32.500 0.058 0.000 0.721 407 K HN 0.793 nan 8.250 nan 0.000 0.438 408 T N -0.874 113.728 114.554 0.080 0.000 2.699 408 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 408 T C 2.264 177.019 174.700 0.091 0.000 1.036 408 T CA 2.076 64.226 62.100 0.083 0.000 1.147 408 T CB -0.750 68.155 68.868 0.062 0.000 0.862 408 T HN 0.623 nan 8.240 nan 0.000 0.446 409 A N 2.088 124.961 122.820 0.087 0.000 1.865 409 A HA 0.238 4.557 4.320 -0.000 0.000 0.217 409 A C 3.035 180.717 177.584 0.164 0.000 1.191 409 A CA 2.672 54.765 52.037 0.094 0.000 0.623 409 A CB -1.474 17.574 19.000 0.080 0.000 0.826 409 A HN 1.008 nan 8.150 nan 0.000 0.444 410 L N -1.043 120.306 121.223 0.210 0.000 2.131 410 L HA 0.007 4.347 4.340 -0.000 0.000 0.210 410 L C 2.662 179.769 176.870 0.394 0.000 1.092 410 L CA 2.446 57.498 54.840 0.353 0.000 0.759 410 L CB -1.769 40.419 42.059 0.216 0.000 0.903 410 L HN 0.324 nan 8.230 nan 0.000 0.435 411 V N -0.401 119.664 119.914 0.253 0.000 2.788 411 V HA -0.037 4.083 4.120 -0.000 0.000 0.251 411 V C 3.118 179.318 176.094 0.177 0.000 1.068 411 V CA 1.256 63.703 62.300 0.244 0.000 1.090 411 V CB -0.642 31.308 31.823 0.211 0.000 0.710 411 V HN 0.761 nan 8.190 nan 0.000 0.467 412 A N 0.356 123.246 122.820 0.116 0.000 1.892 412 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 412 A C 1.253 178.828 177.584 -0.014 0.000 1.188 412 A CA 1.868 53.929 52.037 0.041 0.000 0.631 412 A CB -0.425 18.584 19.000 0.015 0.000 0.822 412 A HN 0.604 nan 8.150 nan 0.000 0.447 413 N N -1.280 117.375 118.700 -0.074 0.000 2.432 413 N HA 0.574 5.314 4.740 -0.000 0.000 0.292 413 N C -2.931 172.410 175.510 -0.280 0.000 1.193 413 N CA -1.725 51.194 53.050 -0.219 0.000 0.878 413 N CB 1.185 39.448 38.487 -0.373 0.000 1.252 413 N HN 0.033 nan 8.380 nan 0.000 0.520 414 P HA 0.397 nan 4.420 nan 0.000 0.279 414 P C -1.123 175.898 177.300 -0.465 0.000 1.276 414 P CA -0.348 62.660 63.100 -0.154 0.000 0.801 414 P CB 0.634 32.308 31.700 -0.043 0.000 1.127 415 W N -0.703 120.658 121.300 0.101 0.000 2.839 415 W HA 0.373 5.033 4.660 -0.000 0.000 0.334 415 W C -0.620 175.945 176.519 0.076 0.000 1.064 415 W CA -0.521 56.868 57.345 0.073 0.000 1.236 415 W CB 1.125 30.623 29.460 0.063 0.000 1.405 415 W HN 0.215 nan 8.180 nan 0.000 0.478 416 Q N 1.171 121.111 119.800 0.234 0.000 2.313 416 Q HA 0.463 4.802 4.340 -0.000 0.000 0.266 416 Q C 0.130 176.221 176.000 0.152 0.000 0.989 416 Q CA -0.318 55.575 55.803 0.150 0.000 0.890 416 Q CB -0.045 28.746 28.738 0.087 0.000 1.200 416 Q HN 0.652 nan 8.270 nan 0.000 0.396 417 L N 2.987 124.285 121.223 0.126 0.000 2.544 417 L HA 0.455 4.795 4.340 -0.000 0.000 0.240 417 L C 1.339 178.236 176.870 0.045 0.000 1.421 417 L CA 0.440 55.335 54.840 0.092 0.000 1.206 417 L CB -1.651 40.473 42.059 0.108 0.000 1.463 417 L HN 0.946 nan 8.230 nan 0.000 0.437 418 G N 2.161 110.985 108.800 0.040 0.000 3.552 418 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.233 418 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.233 418 G C 1.186 176.095 174.900 0.015 0.000 0.923 418 G CA 1.269 46.386 45.100 0.028 0.000 0.826 418 G HN 1.077 nan 8.290 nan 0.000 1.237 419 N N -0.415 118.290 118.700 0.008 0.000 2.396 419 N HA 0.008 4.748 4.740 -0.000 0.000 0.180 419 N C 1.745 177.262 175.510 0.012 0.000 1.028 419 N CA 1.251 54.308 53.050 0.012 0.000 0.893 419 N CB -0.312 38.181 38.487 0.010 0.000 0.967 419 N HN 0.222 nan 8.380 nan 0.000 0.440 420 V N 0.713 120.622 119.914 -0.009 0.000 2.527 420 V HA -0.315 3.805 4.120 -0.000 0.000 0.255 420 V C 2.646 178.705 176.094 -0.058 0.000 1.081 420 V CA 1.731 63.996 62.300 -0.058 0.000 1.092 420 V CB -1.304 30.463 31.823 -0.093 0.000 0.673 420 V HN 0.572 nan 8.190 nan 0.000 0.470 421 A N 0.332 123.143 122.820 -0.015 0.000 1.896 421 A HA -0.309 4.011 4.320 -0.000 0.000 0.220 421 A C 2.526 180.104 177.584 -0.010 0.000 1.206 421 A CA 2.882 54.920 52.037 0.001 0.000 0.647 421 A CB -1.148 17.862 19.000 0.016 0.000 0.828 421 A HN 0.708 nan 8.150 nan 0.000 0.455 422 A N -0.880 121.935 122.820 -0.008 0.000 1.906 422 A HA -0.355 3.964 4.320 -0.000 0.000 0.222 422 A C 2.325 179.895 177.584 -0.023 0.000 1.282 422 A CA 2.734 54.767 52.037 -0.006 0.000 0.675 422 A CB -0.794 18.210 19.000 0.005 0.000 0.838 422 A HN 0.667 nan 8.150 nan 0.000 0.469 423 M N -0.689 118.870 119.600 -0.067 0.000 2.115 423 M HA -0.209 4.270 4.480 -0.000 0.000 0.258 423 M C 2.241 178.488 176.300 -0.089 0.000 1.071 423 M CA 2.588 57.811 55.300 -0.128 0.000 1.100 423 M CB -0.441 31.982 32.600 -0.294 0.000 1.292 423 M HN 0.568 nan 8.290 nan 0.000 0.415 424 L N -0.654 120.508 121.223 -0.101 0.000 2.023 424 L HA 0.172 4.512 4.340 -0.000 0.000 0.205 424 L C 1.694 178.600 176.870 0.060 0.000 1.073 424 L CA 1.342 56.176 54.840 -0.010 0.000 0.745 424 L CB -2.048 40.010 42.059 -0.001 0.000 0.900 424 L HN 0.264 nan 8.230 nan 0.000 0.435 431 A N 1.022 123.839 122.820 -0.005 0.000 2.701 431 A HA 0.702 5.021 4.320 -0.000 0.000 0.297 431 A C 1.023 178.580 177.584 -0.045 0.000 1.197 431 A CA 0.261 52.282 52.037 -0.026 0.000 0.963 431 A CB 0.417 19.403 19.000 -0.023 0.000 1.175 431 A HN 0.534 nan 8.150 nan 0.000 0.531 432 A N -0.184 122.612 122.820 -0.040 0.000 2.603 432 A HA 0.338 4.658 4.320 -0.000 0.000 0.277 432 A C 0.572 178.121 177.584 -0.059 0.000 1.158 432 A CA -0.375 51.622 52.037 -0.066 0.000 0.962 432 A CB 0.155 19.109 19.000 -0.077 0.000 1.189 432 A HN 0.365 nan 8.150 nan 0.000 0.552 433 R N 1.913 122.368 120.500 -0.076 0.000 2.316 433 R HA 0.309 4.648 4.340 -0.000 0.000 0.314 433 R C -2.596 173.552 176.300 -0.253 0.000 1.069 433 R CA -1.698 54.316 56.100 -0.145 0.000 0.959 433 R CB 0.378 30.602 30.300 -0.128 0.000 0.987 433 R HN 0.207 nan 8.270 nan 0.000 0.446 434 P HA -0.044 nan 4.420 nan 0.000 0.266 434 P C -0.152 176.814 177.300 -0.556 0.000 1.195 434 P CA 0.166 62.935 63.100 -0.552 0.000 0.768 434 P CB 0.662 31.727 31.700 -1.059 0.000 0.838 435 E N 2.153 122.181 120.200 -0.286 0.000 2.160 435 E HA -0.157 4.192 4.350 -0.000 0.000 0.195 435 E C 1.564 178.103 176.600 -0.103 0.000 0.991 435 E CA 1.245 57.559 56.400 -0.143 0.000 0.810 435 E CB -0.289 29.396 29.700 -0.024 0.000 0.742 435 E HN 0.684 nan 8.360 nan 0.000 0.466 436 W N 0.691 121.954 121.300 -0.063 0.000 2.699 436 W HA 0.069 4.730 4.660 0.000 0.000 0.249 436 W C 0.240 176.722 176.519 -0.062 0.000 1.280 436 W CA -0.392 56.917 57.345 -0.060 0.000 1.345 436 W CB -0.526 28.890 29.460 -0.074 0.000 1.128 436 W HN -0.010 nan 8.180 nan 0.000 0.642 437 L N 3.204 124.125 121.223 -0.505 0.000 2.360 437 L HA 0.170 4.510 4.340 -0.000 0.000 0.276 437 L C 0.321 177.167 176.870 -0.040 0.000 1.121 437 L CA -0.025 54.579 54.840 -0.392 0.000 0.845 437 L CB 0.486 42.115 42.059 -0.716 0.000 1.143 437 L HN -0.078 nan 8.230 nan 0.000 0.452 438 E N 6.395 126.696 120.200 0.168 0.000 2.349 438 E HA 0.159 4.509 4.350 -0.000 0.000 0.265 438 E C -1.708 174.996 176.600 0.174 0.000 1.064 438 E CA -1.416 55.102 56.400 0.195 0.000 0.886 438 E CB 0.605 30.470 29.700 0.275 0.000 1.036 438 E HN 0.505 nan 8.360 nan 0.000 0.413 439 P HA -0.167 nan 4.420 nan 0.000 0.223 439 P C 0.713 177.970 177.300 -0.072 0.000 1.151 439 P CA 0.871 63.967 63.100 -0.007 0.000 0.787 439 P CB 0.120 31.806 31.700 -0.023 0.000 0.788 440 E N -0.231 119.864 120.200 -0.175 0.000 2.520 440 E HA -0.089 4.261 4.350 -0.000 0.000 0.201 440 E C -0.573 175.696 176.600 -0.553 0.000 1.122 440 E CA 0.453 56.625 56.400 -0.380 0.000 0.896 440 E CB -0.705 28.704 29.700 -0.485 0.000 0.891 440 E HN 0.220 nan 8.360 nan 0.000 0.533 441 F N -0.277 119.642 119.950 -0.052 0.000 2.547 441 F HA 0.580 5.106 4.527 -0.000 0.000 0.316 441 F C 1.045 176.739 175.800 -0.178 0.000 1.121 441 F CA 0.167 58.124 58.000 -0.072 0.000 0.911 441 F CB 2.251 41.258 39.000 0.010 0.000 1.179 441 F HN 0.115 nan 8.300 nan 0.000 0.443 442 G N 0.832 109.503 108.800 -0.215 0.000 2.456 442 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.204 442 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.204 442 G C -1.488 173.012 174.900 -0.667 0.000 1.193 442 G CA -0.577 44.146 45.100 -0.629 0.000 1.220 442 G HN 0.676 nan 8.290 nan 0.000 0.565 443 V N 1.029 120.761 119.914 -0.303 0.000 2.498 443 V HA 0.680 4.800 4.120 -0.000 0.000 0.279 443 V C 1.258 177.304 176.094 -0.080 0.000 1.048 443 V CA 0.593 62.826 62.300 -0.111 0.000 0.967 443 V CB 1.260 33.086 31.823 0.004 0.000 0.988 443 V HN 0.807 nan 8.190 nan 0.000 0.473 444 R N 1.195 121.663 120.500 -0.054 0.000 2.470 444 R HA 0.231 4.571 4.340 -0.000 0.000 0.210 444 R C -0.045 176.240 176.300 -0.025 0.000 0.873 444 R CA 0.136 56.208 56.100 -0.047 0.000 1.015 444 R CB 0.635 30.896 30.300 -0.064 0.000 1.348 444 R HN 0.746 nan 8.270 nan 0.000 0.650 445 D N -1.440 118.954 120.400 -0.009 0.000 2.755 445 D HA 0.160 4.800 4.640 -0.000 0.000 0.293 445 D C -0.160 176.147 176.300 0.012 0.000 1.642 445 D CA 0.717 54.715 54.000 -0.003 0.000 0.825 445 D CB 1.405 42.198 40.800 -0.011 0.000 1.303 445 D HN 0.286 nan 8.370 nan 0.000 0.434 446 G N 0.152 108.968 108.800 0.028 0.000 2.149 446 G HA2 0.029 3.989 3.960 -0.000 0.000 0.235 446 G HA3 0.029 3.989 3.960 -0.000 0.000 0.235 446 G C 0.163 175.101 174.900 0.064 0.000 1.018 446 G CA 0.357 45.485 45.100 0.047 0.000 0.728 446 G HN 0.851 nan 8.290 nan 0.000 0.508 447 L N -0.852 120.408 121.223 0.063 0.000 2.406 447 L HA 0.799 5.138 4.340 -0.000 0.000 0.270 447 L C -0.027 176.914 176.870 0.118 0.000 0.982 447 L CA -1.403 53.484 54.840 0.079 0.000 0.843 447 L CB 0.922 42.992 42.059 0.019 0.000 1.225 447 L HN 0.587 nan 8.230 nan 0.000 0.412 448 Y N 3.216 123.582 120.300 0.111 0.000 2.531 448 Y HA 0.529 5.078 4.550 -0.000 0.000 0.347 448 Y C 0.564 176.576 175.900 0.187 0.000 1.024 448 Y CA 0.379 58.564 58.100 0.142 0.000 1.306 448 Y CB 0.443 38.991 38.460 0.146 0.000 1.149 448 Y HN 0.858 nan 8.280 nan 0.000 0.527 449 Y N 6.617 126.857 120.300 -0.098 0.000 2.452 449 Y HA 0.551 5.101 4.550 -0.000 0.000 0.348 449 Y C -0.943 175.076 175.900 0.199 0.000 0.985 449 Y CA -1.357 56.773 58.100 0.048 0.000 1.214 449 Y CB 0.288 38.714 38.460 -0.056 0.000 1.136 449 Y HN 0.703 nan 8.280 nan 0.000 0.523 450 L N 4.363 125.838 121.223 0.419 0.000 2.371 450 L HA 0.512 4.852 4.340 -0.000 0.000 0.272 450 L C 1.054 178.191 176.870 0.445 0.000 1.124 450 L CA -0.279 54.842 54.840 0.468 0.000 0.816 450 L CB 1.950 44.275 42.059 0.443 0.000 1.129 450 L HN 0.941 nan 8.230 nan 0.000 0.448 451 T N -0.686 114.007 114.554 0.233 0.000 2.881 451 T HA 0.249 4.599 4.350 -0.000 0.000 0.278 451 T C 0.832 175.579 174.700 0.078 0.000 0.982 451 T CA -0.350 61.727 62.100 -0.038 0.000 0.989 451 T CB 0.825 69.591 68.868 -0.170 0.000 1.058 451 T HN 0.713 nan 8.240 nan 0.000 0.529 452 E N -0.214 120.008 120.200 0.036 0.000 2.072 452 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 452 E C 2.195 178.827 176.600 0.053 0.000 0.982 452 E CA 0.934 57.375 56.400 0.068 0.000 0.803 452 E CB -0.042 29.694 29.700 0.060 0.000 0.755 452 E HN 0.845 nan 8.360 nan 0.000 0.453 453 Q N 0.716 120.543 119.800 0.045 0.000 2.077 453 Q HA -0.285 4.055 4.340 -0.000 0.000 0.206 453 Q C 2.040 178.082 176.000 0.070 0.000 0.989 453 Q CA 1.970 57.807 55.803 0.058 0.000 0.853 453 Q CB -0.050 28.738 28.738 0.083 0.000 0.907 453 Q HN 0.299 nan 8.270 nan 0.000 0.418 454 Q N -0.273 119.582 119.800 0.091 0.000 2.181 454 Q HA -0.174 4.165 4.340 -0.000 0.000 0.205 454 Q C 2.104 178.116 176.000 0.020 0.000 0.980 454 Q CA 1.197 57.027 55.803 0.044 0.000 0.862 454 Q CB -0.217 28.542 28.738 0.035 0.000 0.905 454 Q HN 0.561 nan 8.270 nan 0.000 0.429 455 A N 0.692 123.540 122.820 0.047 0.000 1.902 455 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 455 A C 2.044 179.637 177.584 0.014 0.000 1.181 455 A CA 1.598 53.657 52.037 0.037 0.000 0.623 455 A CB -0.445 18.599 19.000 0.072 0.000 0.818 455 A HN 0.212 nan 8.150 nan 0.000 0.443 456 Q N -0.224 119.589 119.800 0.021 0.000 2.020 456 Q HA -0.055 4.284 4.340 -0.000 0.000 0.202 456 Q C 2.223 178.223 176.000 -0.001 0.000 0.982 456 Q CA 2.187 57.998 55.803 0.012 0.000 0.838 456 Q CB -0.758 27.989 28.738 0.015 0.000 0.899 456 Q HN 0.571 nan 8.270 nan 0.000 0.423 457 A N 0.150 122.969 122.820 -0.001 0.000 1.873 457 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 457 A C 2.171 179.734 177.584 -0.035 0.000 1.193 457 A CA 1.833 53.862 52.037 -0.013 0.000 0.629 457 A CB -0.975 18.017 19.000 -0.013 0.000 0.826 457 A HN 0.451 nan 8.150 nan 0.000 0.447 458 I N -0.510 120.028 120.570 -0.054 0.000 2.076 458 I HA -0.300 3.870 4.170 -0.000 0.000 0.237 458 I C 2.424 178.509 176.117 -0.055 0.000 1.059 458 I CA 1.539 62.790 61.300 -0.081 0.000 1.317 458 I CB -0.424 37.499 38.000 -0.128 0.000 1.037 458 I HN 0.305 nan 8.210 nan 0.000 0.398 459 L N 0.225 121.428 121.223 -0.034 0.000 2.137 459 L HA -0.307 4.033 4.340 -0.000 0.000 0.213 459 L C 1.766 178.626 176.870 -0.015 0.000 1.085 459 L CA 1.276 56.105 54.840 -0.017 0.000 0.760 459 L CB -0.600 41.458 42.059 -0.001 0.000 0.893 459 L HN 0.359 nan 8.230 nan 0.000 0.434 460 D N -0.644 119.746 120.400 -0.016 0.000 2.333 460 D HA 0.047 4.687 4.640 -0.000 0.000 0.208 460 D C 0.689 176.979 176.300 -0.016 0.000 0.984 460 D CA 0.077 54.070 54.000 -0.012 0.000 0.873 460 D CB 0.079 40.875 40.800 -0.007 0.000 0.935 460 D HN 0.039 nan 8.370 nan 0.000 0.521 461 L N 1.806 123.013 121.223 -0.026 0.000 2.601 461 L HA -0.047 4.293 4.340 -0.000 0.000 0.277 461 L C 0.497 177.353 176.870 -0.022 0.000 1.219 461 L CA 0.607 55.430 54.840 -0.029 0.000 0.915 461 L CB 0.231 42.264 42.059 -0.044 0.000 1.160 461 L HN -0.223 nan 8.230 nan 0.000 0.494 462 R N 3.741 124.231 120.500 -0.017 0.000 2.390 462 R HA 0.123 4.463 4.340 -0.000 0.000 0.291 462 R C 1.120 177.411 176.300 -0.015 0.000 1.070 462 R CA -0.832 55.260 56.100 -0.013 0.000 1.014 462 R CB 0.650 30.944 30.300 -0.009 0.000 1.007 462 R HN 0.524 nan 8.270 nan 0.000 0.466 463 L N 2.990 124.205 121.223 -0.013 0.000 2.054 463 L HA -0.369 3.971 4.340 -0.000 0.000 0.220 463 L C 2.594 179.457 176.870 -0.012 0.000 1.081 463 L CA 2.088 56.920 54.840 -0.013 0.000 0.780 463 L CB -0.776 41.277 42.059 -0.009 0.000 0.893 463 L HN 0.730 nan 8.230 nan 0.000 0.438 464 Q N -0.434 119.361 119.800 -0.009 0.000 2.325 464 Q HA -0.271 4.069 4.340 -0.000 0.000 0.211 464 Q C 1.848 177.843 176.000 -0.008 0.000 0.988 464 Q CA 2.218 58.016 55.803 -0.007 0.000 0.887 464 Q CB -0.583 28.152 28.738 -0.005 0.000 0.915 464 Q HN 0.515 nan 8.270 nan 0.000 0.440 465 K N 1.494 121.887 120.400 -0.012 0.000 2.525 465 K HA 0.173 4.492 4.320 -0.000 0.000 0.192 465 K C 1.579 178.170 176.600 -0.015 0.000 1.029 465 K CA 0.804 57.083 56.287 -0.014 0.000 1.029 465 K CB -0.350 32.138 32.500 -0.019 0.000 0.814 465 K HN 0.420 nan 8.250 nan 0.000 0.503 466 L N 1.821 123.035 121.223 -0.015 0.000 2.611 466 L HA 0.076 4.416 4.340 -0.000 0.000 0.229 466 L C 1.269 178.133 176.870 -0.009 0.000 1.137 466 L CA 0.094 54.924 54.840 -0.016 0.000 0.901 466 L CB -0.369 41.678 42.059 -0.019 0.000 1.098 466 L HN 0.458 nan 8.230 nan 0.000 0.456 467 T N -3.150 111.402 114.554 -0.005 0.000 2.813 467 T HA 0.190 4.540 4.350 -0.000 0.000 0.297 467 T C 1.514 176.217 174.700 0.005 0.000 1.036 467 T CA -0.001 62.098 62.100 -0.002 0.000 1.044 467 T CB 1.640 70.508 68.868 -0.000 0.000 0.993 467 T HN 0.190 nan 8.240 nan 0.000 0.535 468 G N -0.072 108.730 108.800 0.004 0.000 2.498 468 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.219 468 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.219 468 G C 1.095 176.016 174.900 0.035 0.000 1.119 468 G CA 0.258 45.364 45.100 0.011 0.000 0.766 468 G HN 0.657 nan 8.290 nan 0.000 0.552 469 L N 0.007 121.245 121.223 0.025 0.000 2.627 469 L HA 0.316 4.656 4.340 -0.000 0.000 0.233 469 L C 2.061 178.947 176.870 0.027 0.000 1.144 469 L CA 0.696 55.553 54.840 0.028 0.000 0.892 469 L CB 0.149 42.217 42.059 0.015 0.000 1.039 469 L HN 0.109 nan 8.230 nan 0.000 0.442 470 E N -1.016 119.204 120.200 0.032 0.000 2.045 470 E HA -0.189 4.161 4.350 -0.000 0.000 0.190 470 E C 2.040 178.657 176.600 0.029 0.000 0.968 470 E CA 1.208 57.620 56.400 0.019 0.000 0.813 470 E CB -0.170 29.533 29.700 0.005 0.000 0.780 470 E HN 0.589 nan 8.360 nan 0.000 0.455 471 H N 0.063 119.113 119.070 -0.034 0.000 2.368 471 H HA -0.203 4.353 4.556 -0.000 0.000 0.292 471 H C 1.729 177.041 175.328 -0.027 0.000 1.117 471 H CA 2.345 58.370 56.048 -0.038 0.000 1.231 471 H CB 0.165 29.905 29.762 -0.036 0.000 1.359 471 H HN 0.061 nan 8.280 nan 0.000 0.490 472 E N -0.159 120.064 120.200 0.039 0.000 2.005 472 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 472 E C 2.646 179.221 176.600 -0.040 0.000 0.987 472 E CA 1.924 58.324 56.400 0.000 0.000 0.814 472 E CB -0.589 29.140 29.700 0.048 0.000 0.772 472 E HN 0.558 nan 8.360 nan 0.000 0.453 473 K N 0.742 121.132 120.400 -0.017 0.000 2.113 473 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 473 K C 2.285 178.870 176.600 -0.025 0.000 1.047 473 K CA 1.759 58.037 56.287 -0.014 0.000 0.928 473 K CB -1.210 31.287 32.500 -0.005 0.000 0.716 473 K HN 0.195 nan 8.250 nan 0.000 0.446 474 L N -0.520 120.672 121.223 -0.050 0.000 1.973 474 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 474 L C 2.552 179.383 176.870 -0.065 0.000 1.073 474 L CA 1.473 56.279 54.840 -0.057 0.000 0.746 474 L CB -0.208 41.799 42.059 -0.086 0.000 0.891 474 L HN 0.424 nan 8.230 nan 0.000 0.433 475 L N -0.441 120.678 121.223 -0.174 0.000 2.187 475 L HA -0.239 4.100 4.340 -0.000 0.000 0.213 475 L C 1.808 178.651 176.870 -0.046 0.000 1.100 475 L CA 1.841 56.577 54.840 -0.174 0.000 0.765 475 L CB -1.010 40.828 42.059 -0.368 0.000 0.904 475 L HN 0.321 nan 8.230 nan 0.000 0.437 476 D N -0.619 119.759 120.400 -0.037 0.000 2.162 476 D HA -0.154 4.486 4.640 -0.000 0.000 0.203 476 D C 2.036 178.350 176.300 0.024 0.000 0.967 476 D CA 1.105 55.104 54.000 -0.001 0.000 0.840 476 D CB 0.126 40.922 40.800 -0.006 0.000 0.972 476 D HN 0.572 nan 8.370 nan 0.000 0.482 477 E N -0.604 119.614 120.200 0.030 0.000 2.047 477 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 477 E C 1.958 178.590 176.600 0.054 0.000 0.987 477 E CA 0.490 56.910 56.400 0.033 0.000 0.799 477 E CB -0.067 29.650 29.700 0.028 0.000 0.752 477 E HN 0.222 nan 8.360 nan 0.000 0.449 478 Y N 1.073 121.347 120.300 -0.044 0.000 2.097 478 Y HA -0.324 4.226 4.550 -0.000 0.000 0.282 478 Y C 2.537 178.420 175.900 -0.030 0.000 1.152 478 Y CA 3.130 61.207 58.100 -0.038 0.000 1.136 478 Y CB -0.528 37.900 38.460 -0.053 0.000 0.975 478 Y HN 0.048 nan 8.280 nan 0.000 0.498 479 K N 0.344 120.858 120.400 0.191 0.000 2.113 479 K HA -0.249 4.071 4.320 -0.000 0.000 0.208 479 K C 1.876 178.489 176.600 0.022 0.000 1.047 479 K CA 2.089 58.436 56.287 0.099 0.000 0.928 479 K CB -1.016 31.524 32.500 0.068 0.000 0.716 479 K HN 0.673 nan 8.250 nan 0.000 0.446 480 E N -0.024 120.180 120.200 0.007 0.000 2.047 480 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 480 E C 2.159 178.730 176.600 -0.048 0.000 0.987 480 E CA 1.111 57.503 56.400 -0.015 0.000 0.799 480 E CB -0.226 29.469 29.700 -0.008 0.000 0.752 480 E HN 0.489 nan 8.360 nan 0.000 0.449 481 L N 0.564 121.732 121.223 -0.092 0.000 1.990 481 L HA -0.279 4.060 4.340 -0.000 0.000 0.213 481 L C 2.467 179.246 176.870 -0.151 0.000 1.072 481 L CA 1.231 55.980 54.840 -0.152 0.000 0.755 481 L CB -0.583 41.319 42.059 -0.261 0.000 0.889 481 L HN 0.210 nan 8.230 nan 0.000 0.432 482 L N -0.529 120.593 121.223 -0.170 0.000 2.042 482 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 482 L C 2.176 179.011 176.870 -0.057 0.000 1.076 482 L CA 1.396 56.169 54.840 -0.112 0.000 0.749 482 L CB -0.751 41.275 42.059 -0.055 0.000 0.893 482 L HN 0.293 nan 8.230 nan 0.000 0.432 483 D N -0.570 119.807 120.400 -0.038 0.000 2.144 483 D HA -0.175 4.464 4.640 -0.000 0.000 0.199 483 D C 2.351 178.637 176.300 -0.024 0.000 0.984 483 D CA 1.004 54.991 54.000 -0.021 0.000 0.834 483 D CB -0.093 40.701 40.800 -0.011 0.000 0.955 483 D HN 0.418 nan 8.370 nan 0.000 0.465 484 Q N 0.170 119.951 119.800 -0.032 0.000 1.990 484 Q HA -0.073 4.266 4.340 -0.000 0.000 0.200 484 Q C 2.402 178.383 176.000 -0.032 0.000 0.980 484 Q CA 0.796 56.583 55.803 -0.027 0.000 0.832 484 Q CB -0.179 28.542 28.738 -0.028 0.000 0.897 484 Q HN 0.296 nan 8.270 nan 0.000 0.427 485 I N 1.475 122.014 120.570 -0.051 0.000 2.113 485 I HA -0.396 3.774 4.170 -0.000 0.000 0.242 485 I C 2.558 178.654 176.117 -0.035 0.000 1.057 485 I CA 1.358 62.627 61.300 -0.052 0.000 1.314 485 I CB -0.595 37.359 38.000 -0.077 0.000 1.022 485 I HN 0.252 nan 8.210 nan 0.000 0.408 486 A N 0.156 122.957 122.820 -0.032 0.000 1.903 486 A HA -0.326 3.994 4.320 -0.000 0.000 0.219 486 A C 2.219 179.794 177.584 -0.015 0.000 1.191 486 A CA 2.454 54.478 52.037 -0.020 0.000 0.638 486 A CB -0.651 18.340 19.000 -0.015 0.000 0.823 486 A HN 0.490 nan 8.150 nan 0.000 0.451 487 E N 0.076 120.267 120.200 -0.014 0.000 2.072 487 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 487 E C 1.850 178.446 176.600 -0.007 0.000 0.982 487 E CA 1.138 57.532 56.400 -0.009 0.000 0.803 487 E CB -0.466 29.231 29.700 -0.006 0.000 0.755 487 E HN 0.592 nan 8.360 nan 0.000 0.453 488 L N 0.008 121.226 121.223 -0.009 0.000 2.042 488 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 488 L C 2.520 179.386 176.870 -0.007 0.000 1.076 488 L CA 1.079 55.916 54.840 -0.005 0.000 0.749 488 L CB -0.505 41.551 42.059 -0.006 0.000 0.893 488 L HN 0.184 nan 8.230 nan 0.000 0.432 489 L N -0.834 120.382 121.223 -0.012 0.000 2.131 489 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 489 L C 2.774 179.639 176.870 -0.008 0.000 1.092 489 L CA 1.055 55.889 54.840 -0.011 0.000 0.759 489 L CB -0.532 41.519 42.059 -0.014 0.000 0.903 489 L HN 0.186 nan 8.230 nan 0.000 0.435 490 R N 0.091 120.587 120.500 -0.008 0.000 2.092 490 R HA -0.086 4.253 4.340 -0.000 0.000 0.231 490 R C 2.271 178.567 176.300 -0.007 0.000 1.119 490 R CA 1.256 57.352 56.100 -0.007 0.000 0.970 490 R CB -0.373 29.923 30.300 -0.007 0.000 0.864 490 R HN 0.351 nan 8.270 nan 0.000 0.440 491 I N 0.827 121.393 120.570 -0.006 0.000 2.202 491 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 491 I C 2.200 178.314 176.117 -0.006 0.000 1.091 491 I CA 1.250 62.546 61.300 -0.006 0.000 1.368 491 I CB -0.213 37.784 38.000 -0.004 0.000 1.058 491 I HN 0.090 nan 8.210 nan 0.000 0.410 492 L N 0.320 121.541 121.223 -0.004 0.000 2.131 492 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 492 L C 2.380 179.247 176.870 -0.005 0.000 1.092 492 L CA 1.321 56.159 54.840 -0.003 0.000 0.759 492 L CB -0.901 41.158 42.059 -0.001 0.000 0.903 492 L HN 0.339 nan 8.230 nan 0.000 0.435 493 G N -1.678 107.118 108.800 -0.006 0.000 2.920 493 G HA2 -0.046 3.913 3.960 -0.000 0.000 0.208 493 G HA3 -0.046 3.913 3.960 -0.000 0.000 0.208 493 G C 0.464 175.360 174.900 -0.007 0.000 1.159 493 G CA 0.309 45.406 45.100 -0.006 0.000 0.784 493 G HN 0.216 nan 8.290 nan 0.000 0.535 494 S N -0.906 114.789 115.700 -0.008 0.000 2.750 494 S HA 0.554 5.024 4.470 -0.000 0.000 0.276 494 S C 1.048 175.641 174.600 -0.011 0.000 1.165 494 S CA 0.240 58.434 58.200 -0.009 0.000 1.047 494 S CB 1.017 64.212 63.200 -0.010 0.000 1.056 494 S HN 0.354 nan 8.310 nan 0.000 0.481 495 A N 3.850 126.663 122.820 -0.012 0.000 1.917 495 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 495 A C 1.707 179.280 177.584 -0.017 0.000 1.182 495 A CA 2.174 54.203 52.037 -0.014 0.000 0.633 495 A CB -0.682 18.309 19.000 -0.014 0.000 0.819 495 A HN 0.791 nan 8.150 nan 0.000 0.448 496 D N -0.892 119.498 120.400 -0.017 0.000 2.117 496 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 496 D C 2.110 178.400 176.300 -0.018 0.000 0.987 496 D CA 1.605 55.594 54.000 -0.019 0.000 0.829 496 D CB -0.261 40.529 40.800 -0.017 0.000 0.961 496 D HN 0.455 nan 8.370 nan 0.000 0.460 497 R N 0.668 121.159 120.500 -0.015 0.000 2.092 497 R HA -0.016 4.324 4.340 -0.000 0.000 0.231 497 R C 2.238 178.528 176.300 -0.016 0.000 1.119 497 R CA 0.813 56.905 56.100 -0.013 0.000 0.970 497 R CB -0.796 29.498 30.300 -0.011 0.000 0.864 497 R HN 0.220 nan 8.270 nan 0.000 0.440 498 L N -0.683 120.530 121.223 -0.017 0.000 2.056 498 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 498 L C 1.828 178.682 176.870 -0.026 0.000 1.078 498 L CA 1.146 55.974 54.840 -0.021 0.000 0.749 498 L CB -0.179 41.867 42.059 -0.021 0.000 0.901 498 L HN 0.265 nan 8.230 nan 0.000 0.433 499 M N -0.396 119.188 119.600 -0.026 0.000 2.149 499 M HA -0.253 4.227 4.480 -0.000 0.000 0.261 499 M C 2.135 178.420 176.300 -0.025 0.000 1.064 499 M CA 1.561 56.844 55.300 -0.028 0.000 1.102 499 M CB -1.189 31.393 32.600 -0.030 0.000 1.369 499 M HN 0.372 nan 8.290 nan 0.000 0.408 500 E N -0.165 120.022 120.200 -0.022 0.000 2.110 500 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 500 E C 1.942 178.532 176.600 -0.017 0.000 0.988 500 E CA 1.247 57.636 56.400 -0.018 0.000 0.804 500 E CB 0.199 29.890 29.700 -0.016 0.000 0.745 500 E HN 0.257 nan 8.360 nan 0.000 0.458 501 V N 1.249 121.152 119.914 -0.018 0.000 2.287 501 V HA -0.284 3.835 4.120 -0.000 0.000 0.248 501 V C 2.417 178.497 176.094 -0.022 0.000 1.053 501 V CA 1.804 64.093 62.300 -0.018 0.000 1.027 501 V CB -0.405 31.407 31.823 -0.018 0.000 0.646 501 V HN 0.319 nan 8.190 nan 0.000 0.447 502 I N -0.775 119.776 120.570 -0.032 0.000 2.286 502 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 502 I C 2.728 178.832 176.117 -0.021 0.000 1.115 502 I CA 1.518 62.792 61.300 -0.043 0.000 1.392 502 I CB -0.376 37.586 38.000 -0.063 0.000 1.065 502 I HN 0.181 nan 8.210 nan 0.000 0.418 503 R N 0.372 120.863 120.500 -0.015 0.000 2.083 503 R HA -0.206 4.134 4.340 -0.000 0.000 0.237 503 R C 2.242 178.541 176.300 -0.003 0.000 1.137 503 R CA 1.777 57.872 56.100 -0.007 0.000 0.951 503 R CB -0.281 30.011 30.300 -0.013 0.000 0.851 503 R HN 0.409 nan 8.270 nan 0.000 0.434 504 E N 0.311 120.508 120.200 -0.005 0.000 2.031 504 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 504 E C 1.936 178.539 176.600 0.005 0.000 0.994 504 E CA 1.329 57.728 56.400 -0.002 0.000 0.800 504 E CB 0.040 29.738 29.700 -0.004 0.000 0.752 504 E HN 0.347 nan 8.360 nan 0.000 0.447 505 E N 0.487 120.690 120.200 0.005 0.000 2.086 505 E HA -0.246 4.104 4.350 -0.000 0.000 0.200 505 E C 2.202 178.822 176.600 0.033 0.000 1.012 505 E CA 1.077 57.487 56.400 0.016 0.000 0.812 505 E CB -0.169 29.534 29.700 0.004 0.000 0.743 505 E HN 0.278 nan 8.360 nan 0.000 0.453 506 L N 0.632 121.875 121.223 0.034 0.000 2.056 506 L HA -0.181 4.158 4.340 -0.000 0.000 0.207 506 L C 2.415 179.305 176.870 0.032 0.000 1.078 506 L CA 1.168 56.040 54.840 0.054 0.000 0.749 506 L CB -0.389 41.709 42.059 0.065 0.000 0.901 506 L HN 0.155 nan 8.230 nan 0.000 0.433 507 E N -0.040 120.169 120.200 0.016 0.000 2.085 507 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 507 E C 2.082 178.686 176.600 0.007 0.000 0.994 507 E CA 1.211 57.613 56.400 0.004 0.000 0.801 507 E CB -0.109 29.589 29.700 -0.003 0.000 0.743 507 E HN 0.206 nan 8.360 nan 0.000 0.453 508 L N 0.439 121.671 121.223 0.015 0.000 2.046 508 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 508 L C 2.229 179.123 176.870 0.039 0.000 1.077 508 L CA 1.304 56.153 54.840 0.014 0.000 0.747 508 L CB -0.473 41.598 42.059 0.019 0.000 0.896 508 L HN -0.024 nan 8.230 nan 0.000 0.432 509 V N 0.082 120.044 119.914 0.080 0.000 2.231 509 V HA -0.352 3.768 4.120 -0.000 0.000 0.248 509 V C 2.832 178.992 176.094 0.109 0.000 1.054 509 V CA 2.196 64.589 62.300 0.154 0.000 1.015 509 V CB -0.674 31.207 31.823 0.097 0.000 0.638 509 V HN 0.536 nan 8.190 nan 0.000 0.444 510 R N -0.578 119.945 120.500 0.038 0.000 2.153 510 R HA -0.252 4.088 4.340 -0.000 0.000 0.252 510 R C 2.291 178.589 176.300 -0.003 0.000 1.158 510 R CA 2.310 58.416 56.100 0.009 0.000 0.975 510 R CB -0.247 30.050 30.300 -0.005 0.000 0.871 510 R HN 0.639 nan 8.270 nan 0.000 0.450 511 E N -0.310 119.877 120.200 -0.021 0.000 2.060 511 E HA -0.129 4.221 4.350 -0.000 0.000 0.189 511 E C 1.975 178.499 176.600 -0.126 0.000 0.974 511 E CA 0.648 57.014 56.400 -0.056 0.000 0.808 511 E CB 0.155 29.824 29.700 -0.052 0.000 0.768 511 E HN 0.421 nan 8.360 nan 0.000 0.453 512 Q N -1.167 118.516 119.800 -0.195 0.000 2.245 512 Q HA -0.050 4.289 4.340 -0.000 0.000 0.201 512 Q C 0.713 176.248 176.000 -0.774 0.000 0.955 512 Q CA 0.985 56.477 55.803 -0.518 0.000 0.870 512 Q CB 0.303 28.620 28.738 -0.701 0.000 0.945 512 Q HN 0.192 nan 8.270 nan 0.000 0.461 513 F N -1.875 118.029 119.950 -0.076 0.000 2.856 513 F HA 0.297 4.824 4.527 -0.000 0.000 0.338 513 F C 0.963 176.729 175.800 -0.056 0.000 1.100 513 F CA -0.460 57.493 58.000 -0.080 0.000 1.150 513 F CB 0.490 39.408 39.000 -0.137 0.000 1.101 513 F HN -0.137 nan 8.300 nan 0.000 0.548 514 G N 0.980 109.826 108.800 0.078 0.000 2.544 514 G HA2 0.429 4.389 3.960 -0.000 0.000 0.242 514 G HA3 0.429 4.389 3.960 -0.000 0.000 0.242 514 G C -0.747 174.212 174.900 0.099 0.000 1.247 514 G CA 0.169 45.309 45.100 0.067 0.000 0.840 514 G HN 0.219 nan 8.290 nan 0.000 0.578 515 D N -1.048 119.432 120.400 0.132 0.000 2.768 515 D HA 0.249 4.889 4.640 -0.000 0.000 0.327 515 D C -0.673 175.674 176.300 0.078 0.000 1.302 515 D CA -0.851 53.213 54.000 0.106 0.000 0.897 515 D CB 0.650 41.533 40.800 0.138 0.000 1.420 515 D HN 0.326 nan 8.370 nan 0.000 0.494 516 K N -0.007 120.420 120.400 0.044 0.000 2.295 516 K HA 0.227 4.547 4.320 -0.000 0.000 0.270 516 K C 0.579 177.189 176.600 0.015 0.000 1.011 516 K CA -0.520 55.782 56.287 0.025 0.000 0.953 516 K CB 1.056 33.563 32.500 0.012 0.000 0.956 516 K HN 0.353 nan 8.250 nan 0.000 0.477 517 R N 2.179 122.684 120.500 0.009 0.000 2.585 517 R HA -0.064 4.276 4.340 -0.000 0.000 0.275 517 R C 0.288 176.576 176.300 -0.019 0.000 1.018 517 R CA 0.690 56.784 56.100 -0.010 0.000 1.072 517 R CB 0.478 30.772 30.300 -0.011 0.000 0.953 517 R HN 0.618 nan 8.270 nan 0.000 0.419 518 R N 1.620 122.098 120.500 -0.037 0.000 2.254 518 R HA 0.109 4.448 4.340 -0.000 0.000 0.193 518 R C -0.063 176.234 176.300 -0.004 0.000 0.929 518 R CA 0.362 56.449 56.100 -0.021 0.000 1.038 518 R CB 0.724 31.007 30.300 -0.027 0.000 1.009 518 R HN 0.509 nan 8.270 nan 0.000 0.512 519 T N 1.164 115.705 114.554 -0.022 0.000 2.794 519 T HA 0.145 4.494 4.350 -0.000 0.000 0.280 519 T C -0.662 174.039 174.700 0.001 0.000 0.987 519 T CA -0.491 61.618 62.100 0.014 0.000 0.993 519 T CB 2.153 71.027 68.868 0.011 0.000 0.939 519 T HN 0.029 nan 8.240 nan 0.000 0.449 520 E N 3.296 123.510 120.200 0.024 0.000 2.229 520 E HA 0.293 4.642 4.350 -0.000 0.000 0.283 520 E C -0.644 175.964 176.600 0.013 0.000 1.030 520 E CA -0.406 56.002 56.400 0.013 0.000 0.836 520 E CB 0.563 30.273 29.700 0.016 0.000 1.068 520 E HN 0.536 nan 8.360 nan 0.000 0.401 521 I N 4.324 124.893 120.570 -0.001 0.000 2.315 521 I HA 0.142 4.312 4.170 -0.000 0.000 0.291 521 I C 0.857 176.973 176.117 -0.002 0.000 1.006 521 I CA -0.451 60.848 61.300 -0.002 0.000 1.265 521 I CB 1.351 39.342 38.000 -0.015 0.000 1.387 521 I HN 0.501 nan 8.210 nan 0.000 0.475 522 T N 0.000 114.554 114.554 -0.000 0.000 3.816 522 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 522 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 522 T CB 0.000 68.859 68.868 -0.015 0.000 0.612 522 T HN 0.000 nan 8.240 nan 0.000 0.658