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 2wtz_1_A DATA FIRST_RESID 26 DATA SEQUENCE LRPNAVVGVR LAALADQVGA ALAEGPXXRA VTEDRTVTGV TLRAQDVSPG DATA SEQUENCE DLFAALTGST THGARHVGDA IARGAVAVLT DPAGVAEIAG RAAVPVLVHP DATA SEQUENCE APRGVLGGLA ATVYGHPSER LTVIGITGTS GKTTTTYLVE AGLRAAGRVA DATA SEQUENCE GLIGTIGIRV GGADLPSALT TPEAPTLQAM LAAMVERGVD TVVMEVSSHA DATA SEQUENCE LALGRVDGTR FAVGAFTNLS RDHLDFHPSM ADYFEAXASL FDPDSALRAR DATA SEQUENCE TAVVCIDDDA GRAMAARAAD AITVSAADRP AHWRATDVAP TDAGGQQFTA DATA SEQUENCE IDPAGVGHHI GIRLPGRYNV ANCLVALAIL DTVGVSPEQA VPGLREIRVP DATA SEQUENCE GRLEQIDRGQ GFLALVDYAH KPEALRSVLT TLAHPDRRLA VVFGAGGDRD DATA SEQUENCE PGKRAPMGRI AAQLADLVVV TDDNPRDEDP TAIRREILAG AAEVXGDAQV DATA SEQUENCE VEIADRRDAI RHAVAWARPG DVVLIAGKGH ETGQRGXGRV RPFDDRVELA DATA SEQUENCE AALEALER 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 26 L HA 0.000 nan 4.340 nan 0.000 0.249 26 L C 0.000 176.834 176.870 -0.060 0.000 1.165 26 L CA 0.000 54.812 54.840 -0.046 0.000 0.813 26 L CB 0.000 42.027 42.059 -0.054 0.000 0.961 27 R N 3.787 124.261 120.500 -0.044 0.000 2.686 27 R HA 0.881 5.245 4.340 0.041 0.000 0.283 27 R C -2.727 173.561 176.300 -0.019 0.000 0.978 27 R CA -1.643 54.433 56.100 -0.040 0.000 0.897 27 R CB 2.063 32.359 30.300 -0.007 0.000 1.192 27 R HN 0.187 nan 8.270 nan 0.000 0.457 28 P HA 0.186 nan 4.420 nan 0.000 0.277 28 P C -0.993 176.332 177.300 0.043 0.000 1.240 28 P CA -0.266 62.848 63.100 0.022 0.000 0.798 28 P CB 0.828 32.559 31.700 0.052 0.000 0.979 29 N N 0.549 119.266 118.700 0.028 0.000 2.235 29 N HA 0.301 5.066 4.740 0.041 0.000 0.231 29 N C -0.048 175.476 175.510 0.023 0.000 1.177 29 N CA -0.608 52.458 53.050 0.025 0.000 0.874 29 N CB 0.662 39.158 38.487 0.014 0.000 1.097 29 N HN 0.318 nan 8.380 nan 0.000 0.518 30 A N 1.003 123.840 122.820 0.029 0.000 3.234 30 A HA 0.245 4.590 4.320 0.041 0.000 0.247 30 A C -0.387 177.211 177.584 0.025 0.000 0.938 30 A CA -0.462 51.587 52.037 0.021 0.000 1.039 30 A CB 0.189 19.198 19.000 0.015 0.000 1.197 30 A HN 0.190 nan 8.150 nan 0.000 0.498 31 V N 1.671 121.602 119.914 0.029 0.000 2.385 31 V HA 0.593 4.738 4.120 0.041 0.000 0.269 31 V C 0.221 176.304 176.094 -0.018 0.000 1.043 31 V CA -0.315 61.993 62.300 0.013 0.000 0.906 31 V CB 0.939 32.774 31.823 0.020 0.000 0.995 31 V HN 0.807 nan 8.190 nan 0.000 0.467 32 V N 5.231 125.133 119.914 -0.021 0.000 2.811 32 V HA 0.742 4.887 4.120 0.041 0.000 0.302 32 V C 1.154 177.216 176.094 -0.053 0.000 1.063 32 V CA 0.335 62.618 62.300 -0.028 0.000 1.088 32 V CB 0.215 32.027 31.823 -0.018 0.000 0.982 32 V HN 1.043 nan 8.190 nan 0.000 0.485 33 G N 2.336 111.105 108.800 -0.052 0.000 2.489 33 G HA2 0.520 4.505 3.960 0.041 0.000 0.271 33 G HA3 0.520 4.505 3.960 0.041 0.000 0.271 33 G C -0.580 174.277 174.900 -0.071 0.000 1.427 33 G CA -0.365 44.692 45.100 -0.073 0.000 1.057 33 G HN 1.134 nan 8.290 nan 0.000 0.532 34 V N -0.023 119.849 119.914 -0.070 0.000 2.777 34 V HA 0.317 4.462 4.120 0.041 0.000 0.306 34 V C -0.332 175.737 176.094 -0.040 0.000 1.112 34 V CA -0.957 61.311 62.300 -0.053 0.000 0.917 34 V CB 1.963 33.745 31.823 -0.068 0.000 1.018 34 V HN 0.878 nan 8.190 nan 0.000 0.426 35 R N 3.219 123.704 120.500 -0.025 0.000 2.585 35 R HA 0.142 4.507 4.340 0.041 0.000 0.275 35 R C 1.082 177.371 176.300 -0.018 0.000 1.018 35 R CA -0.495 55.594 56.100 -0.018 0.000 1.072 35 R CB 0.352 30.645 30.300 -0.010 0.000 0.953 35 R HN 0.607 nan 8.270 nan 0.000 0.419 36 L N 3.684 124.899 121.223 -0.014 0.000 2.043 36 L HA -0.228 4.137 4.340 0.041 0.000 0.212 36 L C 2.258 179.126 176.870 -0.004 0.000 1.075 36 L CA 2.456 57.290 54.840 -0.010 0.000 0.752 36 L CB -0.832 41.224 42.059 -0.004 0.000 0.891 36 L HN 0.928 nan 8.230 nan 0.000 0.432 37 A N -0.822 121.997 122.820 -0.001 0.000 1.972 37 A HA -0.104 4.241 4.320 0.041 0.000 0.219 37 A C 2.439 180.026 177.584 0.004 0.000 1.169 37 A CA 1.784 53.823 52.037 0.003 0.000 0.635 37 A CB -1.041 17.961 19.000 0.003 0.000 0.810 37 A HN 0.594 nan 8.150 nan 0.000 0.446 38 A N -0.453 122.367 122.820 -0.000 0.000 1.855 38 A HA 0.020 4.365 4.320 0.041 0.000 0.215 38 A C 2.000 179.586 177.584 0.003 0.000 1.191 38 A CA 1.639 53.677 52.037 0.002 0.000 0.613 38 A CB -0.594 18.405 19.000 -0.002 0.000 0.829 38 A HN 0.376 nan 8.150 nan 0.000 0.442 39 L N -0.163 121.057 121.223 -0.006 0.000 1.971 39 L HA -0.205 4.160 4.340 0.041 0.000 0.215 39 L C 3.066 179.939 176.870 0.004 0.000 1.072 39 L CA 2.101 56.936 54.840 -0.008 0.000 0.758 39 L CB -1.530 40.516 42.059 -0.022 0.000 0.889 39 L HN 0.439 nan 8.230 nan 0.000 0.433 40 A N -0.590 122.235 122.820 0.009 0.000 1.903 40 A HA -0.296 4.049 4.320 0.041 0.000 0.219 40 A C 2.054 179.656 177.584 0.031 0.000 1.191 40 A CA 2.255 54.306 52.037 0.022 0.000 0.638 40 A CB -0.880 18.132 19.000 0.020 0.000 0.823 40 A HN 0.481 nan 8.150 nan 0.000 0.451 41 D N -1.080 119.334 120.400 0.023 0.000 2.104 41 D HA -0.202 4.463 4.640 0.041 0.000 0.194 41 D C 2.062 178.381 176.300 0.031 0.000 0.994 41 D CA 1.636 55.651 54.000 0.025 0.000 0.830 41 D CB -0.545 40.265 40.800 0.018 0.000 0.959 41 D HN 0.734 nan 8.370 nan 0.000 0.452 42 Q N 0.164 119.980 119.800 0.027 0.000 2.152 42 Q HA -0.143 4.222 4.340 0.041 0.000 0.206 42 Q C 1.523 177.548 176.000 0.041 0.000 0.985 42 Q CA 1.142 56.963 55.803 0.029 0.000 0.863 42 Q CB 0.126 28.877 28.738 0.022 0.000 0.904 42 Q HN 0.103 nan 8.270 nan 0.000 0.422 43 V N -0.503 119.442 119.914 0.051 0.000 3.528 43 V HA 0.212 4.357 4.120 0.041 0.000 0.294 43 V C 0.704 176.915 176.094 0.194 0.000 1.404 43 V CA 0.764 63.116 62.300 0.086 0.000 1.065 43 V CB 0.508 32.330 31.823 -0.001 0.000 0.904 43 V HN 0.610 nan 8.190 nan 0.000 0.435 44 G N 1.435 110.303 108.800 0.114 0.000 2.283 44 G HA2 -0.210 3.775 3.960 0.041 0.000 0.280 44 G HA3 -0.210 3.775 3.960 0.041 0.000 0.280 44 G C 0.334 175.286 174.900 0.086 0.000 1.029 44 G CA 0.423 45.573 45.100 0.083 0.000 0.840 44 G HN 1.085 nan 8.290 nan 0.000 0.505 45 A N -0.530 122.360 122.820 0.117 0.000 2.407 45 A HA 0.832 5.177 4.320 0.041 0.000 0.248 45 A C 0.903 178.516 177.584 0.049 0.000 1.082 45 A CA 0.786 52.888 52.037 0.108 0.000 0.785 45 A CB 0.693 19.759 19.000 0.111 0.000 1.020 45 A HN 2.104 nan 8.150 nan 0.000 0.489 46 A N 1.305 124.144 122.820 0.032 0.000 2.293 46 A HA 0.615 4.960 4.320 0.041 0.000 0.302 46 A C -0.470 177.127 177.584 0.022 0.000 1.119 46 A CA -0.477 51.570 52.037 0.018 0.000 0.823 46 A CB 0.224 19.227 19.000 0.004 0.000 1.097 46 A HN 0.692 nan 8.150 nan 0.000 0.491 47 L N 1.621 122.854 121.223 0.017 0.000 2.292 47 L HA 0.432 4.797 4.340 0.041 0.000 0.284 47 L C 1.620 178.498 176.870 0.013 0.000 1.065 47 L CA 0.649 55.498 54.840 0.017 0.000 0.806 47 L CB 0.783 42.851 42.059 0.014 0.000 1.175 47 L HN 0.882 nan 8.230 nan 0.000 0.431 48 A N 2.858 125.687 122.820 0.015 0.000 1.978 48 A HA -0.104 4.240 4.320 0.041 0.000 0.220 48 A C 1.569 179.158 177.584 0.009 0.000 1.170 48 A CA 1.418 53.462 52.037 0.011 0.000 0.636 48 A CB -0.192 18.816 19.000 0.013 0.000 0.810 48 A HN 0.763 nan 8.150 nan 0.000 0.448 49 E N -1.177 119.028 120.200 0.010 0.000 2.472 49 E HA 0.316 4.691 4.350 0.041 0.000 0.196 49 E C 1.192 177.796 176.600 0.007 0.000 1.033 49 E CA 0.658 57.063 56.400 0.008 0.000 0.886 49 E CB -0.123 29.583 29.700 0.009 0.000 0.944 49 E HN 0.715 nan 8.360 nan 0.000 0.492 50 G N 2.935 111.739 108.800 0.007 0.000 2.681 50 G HA2 -0.203 3.782 3.960 0.041 0.000 0.220 50 G HA3 -0.203 3.782 3.960 0.041 0.000 0.220 50 G C -2.005 172.899 174.900 0.006 0.000 1.353 50 G CA -0.408 44.695 45.100 0.006 0.000 0.872 50 G HN 0.132 nan 8.290 nan 0.000 0.557 55 A N -0.772 122.051 122.820 0.005 0.000 2.070 55 A HA -0.324 4.021 4.320 0.041 0.000 0.231 55 A C 2.143 179.729 177.584 0.004 0.000 0.501 55 A CA 2.620 54.659 52.037 0.004 0.000 1.119 55 A CB -2.319 16.684 19.000 0.004 0.000 1.430 55 A HN 1.266 nan 8.150 nan 0.000 0.706 56 V N 0.040 119.957 119.914 0.005 0.000 2.407 56 V HA -0.219 3.926 4.120 0.041 0.000 0.248 56 V C 2.531 178.628 176.094 0.005 0.000 1.055 56 V CA 2.882 65.185 62.300 0.005 0.000 1.049 56 V CB -1.349 30.478 31.823 0.007 0.000 0.662 56 V HN 0.759 nan 8.190 nan 0.000 0.455 57 T N -0.675 113.882 114.554 0.006 0.000 2.788 57 T HA -0.168 4.207 4.350 0.041 0.000 0.268 57 T C 1.850 176.552 174.700 0.003 0.000 1.044 57 T CA 1.213 63.316 62.100 0.005 0.000 1.139 57 T CB -0.266 68.607 68.868 0.007 0.000 0.867 57 T HN 0.384 nan 8.240 nan 0.000 0.454 58 E N 0.795 120.996 120.200 0.003 0.000 2.333 58 E HA -0.115 4.260 4.350 0.041 0.000 0.198 58 E C 1.691 178.291 176.600 -0.000 0.000 1.007 58 E CA 0.655 57.056 56.400 0.001 0.000 0.845 58 E CB -0.095 29.606 29.700 0.002 0.000 0.766 58 E HN 0.408 nan 8.360 nan 0.000 0.507 59 D N -0.370 120.030 120.400 0.000 0.000 2.338 59 D HA -0.014 4.651 4.640 0.041 0.000 0.224 59 D C 0.395 176.693 176.300 -0.003 0.000 0.967 59 D CA 0.242 54.242 54.000 -0.001 0.000 0.896 59 D CB 0.449 41.249 40.800 0.000 0.000 1.028 59 D HN -0.081 nan 8.370 nan 0.000 0.493 60 R N 0.648 121.146 120.500 -0.002 0.000 2.543 60 R HA 0.271 4.636 4.340 0.041 0.000 0.277 60 R C -0.150 176.144 176.300 -0.010 0.000 1.074 60 R CA 0.266 56.364 56.100 -0.004 0.000 1.076 60 R CB 0.492 30.792 30.300 -0.000 0.000 0.993 60 R HN 0.006 nan 8.270 nan 0.000 0.459 61 T N 1.539 116.085 114.554 -0.014 0.000 2.797 61 T HA 0.312 4.687 4.350 0.041 0.000 0.279 61 T C -0.172 174.509 174.700 -0.032 0.000 0.991 61 T CA -0.598 61.487 62.100 -0.024 0.000 0.979 61 T CB 1.922 70.775 68.868 -0.024 0.000 0.943 61 T HN 0.158 nan 8.240 nan 0.000 0.444 62 V N 3.948 123.833 119.914 -0.048 0.000 2.350 62 V HA 0.329 4.474 4.120 0.041 0.000 0.276 62 V C 1.287 177.315 176.094 -0.110 0.000 1.028 62 V CA -0.482 61.778 62.300 -0.067 0.000 0.860 62 V CB 0.924 32.705 31.823 -0.070 0.000 0.990 62 V HN 1.159 nan 8.190 nan 0.000 0.453 63 T N 0.342 114.834 114.554 -0.104 0.000 3.129 63 T HA 0.546 4.921 4.350 0.041 0.000 0.267 63 T C 0.511 175.093 174.700 -0.196 0.000 1.018 63 T CA 0.262 62.281 62.100 -0.136 0.000 0.903 63 T CB 0.374 69.201 68.868 -0.068 0.000 1.067 63 T HN 0.994 nan 8.240 nan 0.000 0.549 64 G N 0.084 108.757 108.800 -0.212 0.000 2.489 64 G HA2 0.514 4.498 3.960 0.041 0.000 0.291 64 G HA3 0.514 4.498 3.960 0.041 0.000 0.291 64 G C -2.125 172.739 174.900 -0.061 0.000 1.487 64 G CA -0.599 44.403 45.100 -0.164 0.000 0.795 64 G HN 0.273 nan 8.290 nan 0.000 0.513 65 V N 0.088 120.072 119.914 0.117 0.000 2.638 65 V HA 0.875 5.020 4.120 0.041 0.000 0.306 65 V C -0.087 176.116 176.094 0.182 0.000 1.052 65 V CA -0.476 61.902 62.300 0.131 0.000 0.885 65 V CB 1.820 33.709 31.823 0.110 0.000 0.999 65 V HN 1.123 nan 8.190 nan 0.000 0.424 66 T N 3.939 118.592 114.554 0.166 0.000 2.894 66 T HA 0.547 4.922 4.350 0.041 0.000 0.309 66 T C -0.171 174.672 174.700 0.238 0.000 1.208 66 T CA -0.465 61.739 62.100 0.175 0.000 1.016 66 T CB 1.680 70.640 68.868 0.153 0.000 1.192 66 T HN 0.791 nan 8.240 nan 0.000 0.491 67 L N 1.959 123.293 121.223 0.185 0.000 2.965 67 L HA 0.673 5.038 4.340 0.041 0.000 0.254 67 L C 0.311 177.359 176.870 0.296 0.000 1.220 67 L CA -0.677 54.263 54.840 0.167 0.000 1.023 67 L CB 0.104 42.182 42.059 0.031 0.000 1.355 67 L HN 0.398 nan 8.230 nan 0.000 0.545 68 R N 0.305 120.989 120.500 0.307 0.000 2.483 68 R HA 0.610 4.975 4.340 0.041 0.000 0.303 68 R C 0.811 177.096 176.300 -0.025 0.000 0.987 68 R CA 0.405 56.606 56.100 0.168 0.000 0.881 68 R CB 1.917 32.242 30.300 0.042 0.000 1.177 68 R HN 0.155 nan 8.270 nan 0.000 0.451 69 A N 3.261 125.920 122.820 -0.267 0.000 1.917 69 A HA -0.221 4.124 4.320 0.041 0.000 0.219 69 A C 1.460 178.856 177.584 -0.313 0.000 1.182 69 A CA 1.515 53.154 52.037 -0.663 0.000 0.633 69 A CB -0.213 18.454 19.000 -0.555 0.000 0.819 69 A HN 0.822 nan 8.150 nan 0.000 0.448 70 Q N -0.208 119.490 119.800 -0.169 0.000 2.436 70 Q HA -0.031 4.334 4.340 0.041 0.000 0.209 70 Q C 0.650 176.607 176.000 -0.072 0.000 0.965 70 Q CA 1.178 56.923 55.803 -0.097 0.000 0.910 70 Q CB 0.005 28.706 28.738 -0.062 0.000 0.980 70 Q HN 0.595 nan 8.270 nan 0.000 0.491 71 D N -0.668 119.692 120.400 -0.066 0.000 2.339 71 D HA -0.007 4.658 4.640 0.041 0.000 0.217 71 D C 0.103 176.390 176.300 -0.021 0.000 1.050 71 D CA 0.076 54.059 54.000 -0.029 0.000 0.856 71 D CB 0.305 41.104 40.800 -0.002 0.000 0.922 71 D HN 0.170 nan 8.370 nan 0.000 0.518 72 V N -0.496 119.386 119.914 -0.054 0.000 2.655 72 V HA 0.325 4.469 4.120 0.041 0.000 0.300 72 V C 0.299 176.384 176.094 -0.016 0.000 1.044 72 V CA -0.194 62.089 62.300 -0.027 0.000 1.095 72 V CB 1.355 33.143 31.823 -0.058 0.000 0.952 72 V HN -0.123 nan 8.190 nan 0.000 0.485 73 S N 5.516 121.220 115.700 0.008 0.000 2.578 73 S HA 0.678 5.173 4.470 0.041 0.000 0.301 73 S C -2.675 171.930 174.600 0.008 0.000 1.091 73 S CA -1.336 56.869 58.200 0.008 0.000 1.032 73 S CB 1.801 65.014 63.200 0.021 0.000 1.064 73 S HN 0.855 nan 8.310 nan 0.000 0.508 74 P HA 0.255 nan 4.420 nan 0.000 0.267 74 P C 0.550 177.852 177.300 0.003 0.000 1.205 74 P CA 0.846 63.947 63.100 0.002 0.000 0.765 74 P CB 0.414 32.114 31.700 -0.000 0.000 0.828 75 G N 1.823 110.626 108.800 0.004 0.000 2.184 75 G HA2 -0.155 3.830 3.960 0.041 0.000 0.206 75 G HA3 -0.155 3.830 3.960 0.041 0.000 0.206 75 G C -0.175 174.722 174.900 -0.005 0.000 0.995 75 G CA -0.489 44.609 45.100 -0.004 0.000 0.651 75 G HN 0.467 nan 8.290 nan 0.000 0.511 76 D N 0.426 120.835 120.400 0.015 0.000 2.304 76 D HA 0.432 5.097 4.640 0.041 0.000 0.247 76 D C 0.654 176.986 176.300 0.053 0.000 1.089 76 D CA -0.334 53.685 54.000 0.032 0.000 0.910 76 D CB 1.229 42.066 40.800 0.062 0.000 1.199 76 D HN 0.198 nan 8.370 nan 0.000 0.426 77 L N 2.931 124.183 121.223 0.049 0.000 2.319 77 L HA 0.297 4.661 4.340 0.041 0.000 0.280 77 L C -0.718 176.248 176.870 0.160 0.000 1.099 77 L CA -0.529 54.355 54.840 0.073 0.000 0.828 77 L CB 0.265 42.336 42.059 0.019 0.000 1.150 77 L HN 0.349 nan 8.230 nan 0.000 0.442 78 F N 5.066 125.026 119.950 0.016 0.000 2.391 78 F HA 0.495 5.046 4.527 0.039 0.000 0.359 78 F C 0.331 176.149 175.800 0.031 0.000 1.122 78 F CA -0.878 57.138 58.000 0.026 0.000 1.120 78 F CB 1.154 40.175 39.000 0.035 0.000 1.142 78 F HN 0.594 nan 8.300 nan 0.000 0.483 79 A N 5.920 128.528 122.820 -0.352 0.000 2.415 79 A HA 0.588 4.933 4.320 0.041 0.000 0.309 79 A C 0.027 177.044 177.584 -0.945 0.000 1.356 79 A CA -0.264 51.498 52.037 -0.460 0.000 0.998 79 A CB -0.380 18.497 19.000 -0.204 0.000 1.145 79 A HN 0.993 nan 8.150 nan 0.000 0.545 80 A N 4.507 126.777 122.820 -0.917 0.000 2.539 80 A HA 0.543 4.888 4.320 0.041 0.000 0.306 80 A C 0.113 177.567 177.584 -0.218 0.000 1.392 80 A CA -0.130 51.531 52.037 -0.627 0.000 1.060 80 A CB -0.447 18.384 19.000 -0.281 0.000 1.134 80 A HN 0.800 nan 8.150 nan 0.000 0.542 81 L N 1.727 122.789 121.223 -0.268 0.000 2.352 81 L HA 0.527 4.891 4.340 0.041 0.000 0.269 81 L C 1.105 177.571 176.870 -0.673 0.000 1.034 81 L CA -0.704 53.951 54.840 -0.309 0.000 0.806 81 L CB 1.818 43.762 42.059 -0.191 0.000 1.244 81 L HN 0.695 nan 8.230 nan 0.000 0.447 82 T N -0.600 113.558 114.554 -0.661 0.000 2.913 82 T HA 0.693 5.068 4.350 0.041 0.000 0.287 82 T C -0.085 174.480 174.700 -0.226 0.000 1.008 82 T CA -0.186 61.543 62.100 -0.618 0.000 1.067 82 T CB 1.603 70.315 68.868 -0.260 0.000 0.996 82 T HN 0.806 nan 8.240 nan 0.000 0.513 83 G N 0.724 109.453 108.800 -0.119 0.000 2.682 83 G HA2 0.471 4.456 3.960 0.041 0.000 0.290 83 G HA3 0.471 4.456 3.960 0.041 0.000 0.290 83 G C 0.494 175.400 174.900 0.010 0.000 1.425 83 G CA -0.412 44.666 45.100 -0.036 0.000 0.807 83 G HN 0.627 nan 8.290 nan 0.000 0.482 84 S N -1.113 114.606 115.700 0.032 0.000 2.442 84 S HA -0.088 4.407 4.470 0.041 0.000 0.236 84 S C 2.163 176.790 174.600 0.045 0.000 1.007 84 S CA 1.958 60.186 58.200 0.046 0.000 0.965 84 S CB 0.018 63.254 63.200 0.060 0.000 0.773 84 S HN 0.913 nan 8.310 nan 0.000 0.504 85 T N -1.177 113.402 114.554 0.042 0.000 2.959 85 T HA 0.241 4.616 4.350 0.041 0.000 0.254 85 T C 0.497 175.238 174.700 0.067 0.000 1.003 85 T CA 0.911 63.040 62.100 0.049 0.000 0.950 85 T CB 0.462 69.355 68.868 0.041 0.000 1.090 85 T HN 0.352 nan 8.240 nan 0.000 0.503 86 T N -0.382 114.218 114.554 0.076 0.000 2.649 86 T HA 0.335 4.710 4.350 0.041 0.000 0.305 86 T C -2.325 172.461 174.700 0.143 0.000 1.409 86 T CA -0.618 61.557 62.100 0.125 0.000 1.021 86 T CB 1.237 70.206 68.868 0.167 0.000 1.726 86 T HN 0.170 nan 8.240 nan 0.000 0.475 87 H N -0.490 118.649 119.070 0.114 0.000 2.658 87 H HA 0.456 5.038 4.556 0.044 0.000 0.337 87 H C 1.273 176.712 175.328 0.186 0.000 1.009 87 H CA 0.370 56.482 56.048 0.107 0.000 1.231 87 H CB 1.617 31.424 29.762 0.074 0.000 1.508 87 H HN 0.900 nan 8.280 nan 0.000 0.517 88 G N 2.903 111.875 108.800 0.286 0.000 2.499 88 G HA2 -0.276 3.709 3.960 0.041 0.000 0.221 88 G HA3 -0.276 3.709 3.960 0.041 0.000 0.221 88 G C 1.485 176.702 174.900 0.528 0.000 1.109 88 G CA 0.766 46.106 45.100 0.400 0.000 0.749 88 G HN 0.655 nan 8.290 nan 0.000 0.568 89 A N 0.777 123.914 122.820 0.527 0.000 2.019 89 A HA -0.004 4.340 4.320 0.041 0.000 0.219 89 A C 2.359 180.064 177.584 0.201 0.000 1.164 89 A CA 1.322 53.518 52.037 0.264 0.000 0.644 89 A CB -0.320 18.673 19.000 -0.011 0.000 0.805 89 A HN 0.394 nan 8.150 nan 0.000 0.449 90 R N -0.889 119.725 120.500 0.190 0.000 2.285 90 R HA -0.042 4.323 4.340 0.041 0.000 0.213 90 R C 0.700 176.926 176.300 -0.123 0.000 1.068 90 R CA 1.053 57.159 56.100 0.011 0.000 1.004 90 R CB -0.201 30.072 30.300 -0.045 0.000 0.873 90 R HN 0.676 nan 8.270 nan 0.000 0.467 91 H N -1.032 118.151 119.070 0.189 0.000 2.592 91 H HA 0.135 4.718 4.556 0.044 0.000 0.279 91 H C 1.540 176.910 175.328 0.070 0.000 1.089 91 H CA -0.080 56.036 56.048 0.113 0.000 1.150 91 H CB 0.780 30.601 29.762 0.098 0.000 1.575 91 H HN -0.035 nan 8.280 nan 0.000 0.547 92 V N 0.663 120.735 119.914 0.263 0.000 2.287 92 V HA -0.224 3.921 4.120 0.041 0.000 0.248 92 V C 2.724 178.862 176.094 0.072 0.000 1.053 92 V CA 2.159 64.597 62.300 0.231 0.000 1.027 92 V CB -0.792 31.168 31.823 0.229 0.000 0.646 92 V HN 0.555 nan 8.190 nan 0.000 0.447 93 G N -0.430 108.393 108.800 0.038 0.000 2.476 93 G HA2 -0.392 3.592 3.960 0.041 0.000 0.218 93 G HA3 -0.392 3.592 3.960 0.041 0.000 0.218 93 G C 1.347 176.235 174.900 -0.019 0.000 1.164 93 G CA 1.381 46.484 45.100 0.006 0.000 0.768 93 G HN 0.566 nan 8.290 nan 0.000 0.560 94 D N 0.618 120.997 120.400 -0.034 0.000 2.097 94 D HA 0.055 4.720 4.640 0.041 0.000 0.197 94 D C 2.759 178.989 176.300 -0.117 0.000 0.984 94 D CA 1.447 55.411 54.000 -0.058 0.000 0.826 94 D CB -0.480 40.301 40.800 -0.033 0.000 0.973 94 D HN 0.236 nan 8.370 nan 0.000 0.460 95 A N 0.351 123.040 122.820 -0.218 0.000 1.902 95 A HA -0.133 4.212 4.320 0.041 0.000 0.217 95 A C 2.506 180.026 177.584 -0.106 0.000 1.181 95 A CA 1.304 53.164 52.037 -0.294 0.000 0.623 95 A CB -0.865 17.768 19.000 -0.611 0.000 0.818 95 A HN 0.382 nan 8.150 nan 0.000 0.443 96 I N -0.307 120.238 120.570 -0.041 0.000 2.208 96 I HA -0.294 3.900 4.170 0.041 0.000 0.245 96 I C 2.873 178.981 176.117 -0.016 0.000 1.097 96 I CA 1.135 62.434 61.300 -0.003 0.000 1.363 96 I CB -0.286 37.724 38.000 0.018 0.000 1.051 96 I HN 0.372 nan 8.210 nan 0.000 0.413 97 A N 0.584 123.388 122.820 -0.027 0.000 2.014 97 A HA -0.100 4.245 4.320 0.041 0.000 0.218 97 A C 2.197 179.765 177.584 -0.027 0.000 1.163 97 A CA 0.979 53.003 52.037 -0.023 0.000 0.652 97 A CB -0.400 18.587 19.000 -0.022 0.000 0.808 97 A HN 0.353 nan 8.150 nan 0.000 0.449 98 R N -1.326 119.149 120.500 -0.042 0.000 2.310 98 R HA 0.224 4.589 4.340 0.041 0.000 0.202 98 R C 1.106 177.390 176.300 -0.026 0.000 0.933 98 R CA 0.544 56.620 56.100 -0.039 0.000 1.054 98 R CB 0.061 30.325 30.300 -0.060 0.000 0.985 98 R HN 0.628 nan 8.270 nan 0.000 0.489 99 G N 0.202 108.991 108.800 -0.019 0.000 2.184 99 G HA2 -0.242 3.743 3.960 0.041 0.000 0.206 99 G HA3 -0.242 3.743 3.960 0.041 0.000 0.206 99 G C 0.250 175.152 174.900 0.003 0.000 0.995 99 G CA -0.256 44.840 45.100 -0.007 0.000 0.651 99 G HN 0.454 nan 8.290 nan 0.000 0.511 100 A N 0.421 123.245 122.820 0.006 0.000 2.567 100 A HA 0.511 4.856 4.320 0.041 0.000 0.240 100 A C 1.849 179.456 177.584 0.038 0.000 1.053 100 A CA 1.057 53.115 52.037 0.035 0.000 0.755 100 A CB 0.417 19.455 19.000 0.064 0.000 0.978 100 A HN 1.633 nan 8.150 nan 0.000 0.507 101 V N -0.267 119.668 119.914 0.037 0.000 3.052 101 V HA 0.509 4.654 4.120 0.041 0.000 0.254 101 V C 0.849 176.964 176.094 0.036 0.000 1.100 101 V CA 1.141 63.457 62.300 0.027 0.000 1.112 101 V CB -1.623 30.208 31.823 0.013 0.000 0.738 101 V HN 1.863 nan 8.190 nan 0.000 0.469 102 A N -1.021 121.832 122.820 0.056 0.000 2.566 102 A HA 0.780 5.125 4.320 0.041 0.000 0.290 102 A C -1.364 176.275 177.584 0.092 0.000 1.071 102 A CA -0.262 51.810 52.037 0.059 0.000 0.658 102 A CB 1.673 20.694 19.000 0.035 0.000 1.285 102 A HN 0.402 nan 8.150 nan 0.000 0.427 103 V N 1.159 121.118 119.914 0.076 0.000 2.709 103 V HA 0.588 4.733 4.120 0.041 0.000 0.308 103 V C -0.922 175.179 176.094 0.011 0.000 1.062 103 V CA -0.562 61.782 62.300 0.072 0.000 0.901 103 V CB 1.793 33.681 31.823 0.108 0.000 1.003 103 V HN 0.823 nan 8.190 nan 0.000 0.425 104 L N 4.221 125.417 121.223 -0.046 0.000 2.319 104 L HA 0.785 5.150 4.340 0.041 0.000 0.281 104 L C -0.532 176.295 176.870 -0.072 0.000 1.005 104 L CA 0.456 55.269 54.840 -0.046 0.000 0.828 104 L CB 1.517 43.541 42.059 -0.058 0.000 1.227 104 L HN 0.872 nan 8.230 nan 0.000 0.415 105 T N 2.186 116.735 114.554 -0.009 0.000 2.754 105 T HA 0.502 4.876 4.350 0.041 0.000 0.296 105 T C -1.224 173.520 174.700 0.073 0.000 1.205 105 T CA -0.439 61.676 62.100 0.026 0.000 1.009 105 T CB 1.675 70.570 68.868 0.046 0.000 1.368 105 T HN 0.749 nan 8.240 nan 0.000 0.509 106 D N 0.433 120.900 120.400 0.113 0.000 2.529 106 D HA 0.450 5.115 4.640 0.041 0.000 0.273 106 D C -1.966 174.377 176.300 0.072 0.000 1.197 106 D CA -1.731 52.332 54.000 0.105 0.000 1.070 106 D CB -0.360 40.513 40.800 0.122 0.000 1.134 106 D HN 0.145 nan 8.370 nan 0.000 0.590 107 P HA -0.116 nan 4.420 nan 0.000 0.218 107 P C 1.119 178.425 177.300 0.010 0.000 1.148 107 P CA 2.261 65.375 63.100 0.024 0.000 0.822 107 P CB -0.069 31.642 31.700 0.018 0.000 0.784 108 A N -0.316 122.524 122.820 0.034 0.000 1.930 108 A HA -0.044 4.301 4.320 0.041 0.000 0.217 108 A C 2.475 179.940 177.584 -0.199 0.000 1.175 108 A CA 1.888 53.911 52.037 -0.022 0.000 0.627 108 A CB -1.824 17.223 19.000 0.078 0.000 0.815 108 A HN 0.263 nan 8.150 nan 0.000 0.443 109 G N 0.205 108.900 108.800 -0.176 0.000 2.446 109 G HA2 -0.227 3.758 3.960 0.041 0.000 0.217 109 G HA3 -0.227 3.758 3.960 0.041 0.000 0.217 109 G C 1.654 176.474 174.900 -0.133 0.000 1.168 109 G CA 2.229 47.172 45.100 -0.263 0.000 0.771 109 G HN 1.031 nan 8.290 nan 0.000 0.551 110 V N -0.691 119.189 119.914 -0.056 0.000 2.407 110 V HA 0.037 4.181 4.120 0.041 0.000 0.248 110 V C 2.953 179.020 176.094 -0.046 0.000 1.055 110 V CA 1.942 64.222 62.300 -0.033 0.000 1.049 110 V CB -1.176 30.641 31.823 -0.010 0.000 0.662 110 V HN 0.435 nan 8.190 nan 0.000 0.455 111 A N 0.382 123.166 122.820 -0.061 0.000 1.883 111 A HA -0.181 4.164 4.320 0.041 0.000 0.217 111 A C 2.218 179.760 177.584 -0.069 0.000 1.186 111 A CA 1.892 53.896 52.037 -0.056 0.000 0.624 111 A CB -0.596 18.373 19.000 -0.052 0.000 0.822 111 A HN 0.615 nan 8.150 nan 0.000 0.444 112 E N -0.095 120.036 120.200 -0.116 0.000 2.077 112 E HA -0.136 4.239 4.350 0.041 0.000 0.193 112 E C 1.931 178.497 176.600 -0.057 0.000 0.989 112 E CA 1.133 57.472 56.400 -0.103 0.000 0.800 112 E CB -0.383 29.217 29.700 -0.168 0.000 0.746 112 E HN 0.747 nan 8.360 nan 0.000 0.452 113 I N 0.826 121.367 120.570 -0.047 0.000 2.676 113 I HA -0.175 4.020 4.170 0.041 0.000 0.259 113 I C 1.610 177.720 176.117 -0.012 0.000 1.194 113 I CA 0.485 61.776 61.300 -0.014 0.000 1.473 113 I CB -0.382 37.621 38.000 0.004 0.000 1.096 113 I HN -0.008 nan 8.210 nan 0.000 0.443 114 A N 0.791 123.599 122.820 -0.019 0.000 5.391 114 A HA -0.276 4.069 4.320 0.041 0.000 0.315 114 A C 1.212 178.792 177.584 -0.006 0.000 1.874 114 A CA 1.191 53.220 52.037 -0.013 0.000 0.714 114 A CB -2.119 16.874 19.000 -0.012 0.000 1.335 114 A HN 0.427 nan 8.150 nan 0.000 0.382 115 G N -0.813 107.985 108.800 -0.003 0.000 2.514 115 G HA2 0.590 4.575 3.960 0.041 0.000 0.245 115 G HA3 0.590 4.575 3.960 0.041 0.000 0.245 115 G C 0.787 175.690 174.900 0.005 0.000 1.488 115 G CA 1.207 46.307 45.100 0.001 0.000 1.063 115 G HN 2.330 nan 8.290 nan 0.000 0.557 116 R N -1.002 119.502 120.500 0.006 0.000 2.730 116 R HA 0.395 4.760 4.340 0.041 0.000 0.327 116 R C 0.534 176.842 176.300 0.014 0.000 0.825 116 R CA 0.717 56.823 56.100 0.010 0.000 1.130 116 R CB -1.668 28.636 30.300 0.008 0.000 0.883 116 R HN 1.617 nan 8.270 nan 0.000 0.407 117 A N 2.311 125.143 122.820 0.020 0.000 2.293 117 A HA 0.669 5.014 4.320 0.041 0.000 0.302 117 A C 1.631 179.230 177.584 0.025 0.000 1.119 117 A CA 0.060 52.114 52.037 0.028 0.000 0.823 117 A CB 1.012 20.038 19.000 0.043 0.000 1.097 117 A HN 1.803 nan 8.150 nan 0.000 0.491 118 A N 1.075 123.909 122.820 0.024 0.000 2.209 118 A HA 0.354 4.699 4.320 0.041 0.000 0.212 118 A C 0.944 178.541 177.584 0.022 0.000 1.158 118 A CA 1.323 53.371 52.037 0.019 0.000 0.742 118 A CB -1.075 17.934 19.000 0.015 0.000 0.790 118 A HN 1.863 nan 8.150 nan 0.000 0.472 119 V N -5.027 114.905 119.914 0.030 0.000 3.046 119 V HA 0.672 4.817 4.120 0.041 0.000 0.316 119 V C -3.224 172.890 176.094 0.033 0.000 1.104 119 V CA -2.986 59.333 62.300 0.032 0.000 1.006 119 V CB 1.214 33.061 31.823 0.041 0.000 1.058 119 V HN 0.007 nan 8.190 nan 0.000 0.440 120 P HA 0.273 nan 4.420 nan 0.000 0.267 120 P C -0.769 176.551 177.300 0.033 0.000 1.205 120 P CA 0.149 63.265 63.100 0.027 0.000 0.765 120 P CB 0.697 32.410 31.700 0.022 0.000 0.828 121 V N 5.628 125.561 119.914 0.031 0.000 2.328 121 V HA 0.180 4.325 4.120 0.041 0.000 0.278 121 V C 0.100 176.211 176.094 0.028 0.000 1.021 121 V CA -0.563 61.757 62.300 0.032 0.000 0.838 121 V CB 0.936 32.777 31.823 0.031 0.000 0.999 121 V HN 0.327 nan 8.190 nan 0.000 0.447 122 L N 6.379 127.619 121.223 0.028 0.000 2.276 122 L HA 0.480 4.845 4.340 0.041 0.000 0.286 122 L C 0.014 176.912 176.870 0.045 0.000 1.061 122 L CA 0.237 55.097 54.840 0.034 0.000 0.807 122 L CB 1.578 43.656 42.059 0.031 0.000 1.177 122 L HN 0.415 nan 8.230 nan 0.000 0.429 123 V N 2.956 122.902 119.914 0.054 0.000 2.435 123 V HA 0.489 4.634 4.120 0.041 0.000 0.290 123 V C -0.325 175.832 176.094 0.106 0.000 1.030 123 V CA -0.688 61.650 62.300 0.063 0.000 0.881 123 V CB 1.359 33.202 31.823 0.033 0.000 0.983 123 V HN 0.694 nan 8.190 nan 0.000 0.445 124 H N 5.281 124.355 119.070 0.006 0.000 2.771 124 H HA 0.489 5.070 4.556 0.042 0.000 0.361 124 H C -2.879 172.456 175.328 0.011 0.000 1.108 124 H CA -1.816 54.236 56.048 0.007 0.000 1.201 124 H CB 3.423 33.187 29.762 0.003 0.000 1.681 124 H HN 0.436 nan 8.280 nan 0.000 0.534 125 P HA 0.117 nan 4.420 nan 0.000 0.272 125 P C -0.398 177.013 177.300 0.185 0.000 1.240 125 P CA 0.283 63.374 63.100 -0.015 0.000 0.791 125 P CB 0.306 31.948 31.700 -0.097 0.000 0.978 126 A N 1.112 124.025 122.820 0.154 0.000 2.415 126 A HA -0.154 4.191 4.320 0.041 0.000 0.292 126 A C -1.342 176.371 177.584 0.216 0.000 1.452 126 A CA 0.456 52.602 52.037 0.182 0.000 0.750 126 A CB -2.591 16.503 19.000 0.156 0.000 1.099 126 A HN 0.428 nan 8.150 nan 0.000 0.391 127 P HA -0.161 nan 4.420 nan 0.000 0.215 127 P C 1.615 178.868 177.300 -0.078 0.000 1.157 127 P CA 1.402 64.478 63.100 -0.041 0.000 0.868 127 P CB -0.004 31.684 31.700 -0.020 0.000 0.788 128 R N -0.030 120.451 120.500 -0.031 0.000 2.139 128 R HA -0.108 4.257 4.340 0.041 0.000 0.243 128 R C 2.076 178.367 176.300 -0.014 0.000 1.145 128 R CA 1.879 57.965 56.100 -0.024 0.000 0.976 128 R CB -1.218 29.079 30.300 -0.004 0.000 0.866 128 R HN 0.166 nan 8.270 nan 0.000 0.449 129 G N -1.299 107.501 108.800 -0.001 0.000 2.848 129 G HA2 -0.002 3.983 3.960 0.041 0.000 0.208 129 G HA3 -0.002 3.983 3.960 0.041 0.000 0.208 129 G C 0.796 175.686 174.900 -0.018 0.000 1.152 129 G CA 0.374 45.483 45.100 0.015 0.000 0.789 129 G HN 0.295 nan 8.290 nan 0.000 0.531 130 V N -0.769 119.095 119.914 -0.084 0.000 3.356 130 V HA 0.173 4.318 4.120 0.041 0.000 0.274 130 V C 1.924 177.952 176.094 -0.109 0.000 1.631 130 V CA 0.008 62.230 62.300 -0.131 0.000 1.025 130 V CB 0.423 32.048 31.823 -0.329 0.000 0.840 130 V HN 0.231 nan 8.190 nan 0.000 0.419 131 L N 1.688 122.857 121.223 -0.090 0.000 2.012 131 L HA 0.003 4.368 4.340 0.041 0.000 0.210 131 L C 2.283 179.137 176.870 -0.026 0.000 1.073 131 L CA 2.996 57.800 54.840 -0.061 0.000 0.748 131 L CB -1.175 40.855 42.059 -0.048 0.000 0.891 131 L HN 0.317 nan 8.230 nan 0.000 0.431 132 G N -1.208 107.586 108.800 -0.011 0.000 2.476 132 G HA2 -0.275 3.710 3.960 0.041 0.000 0.218 132 G HA3 -0.275 3.710 3.960 0.041 0.000 0.218 132 G C 1.535 176.441 174.900 0.011 0.000 1.164 132 G CA 0.745 45.849 45.100 0.007 0.000 0.768 132 G HN 0.619 nan 8.290 nan 0.000 0.560 133 G N 0.786 109.593 108.800 0.012 0.000 2.418 133 G HA2 -0.151 3.834 3.960 0.041 0.000 0.217 133 G HA3 -0.151 3.834 3.960 0.041 0.000 0.217 133 G C 1.843 176.746 174.900 0.004 0.000 1.158 133 G CA 0.852 45.971 45.100 0.032 0.000 0.771 133 G HN 0.429 nan 8.290 nan 0.000 0.545 134 L N 0.776 121.985 121.223 -0.024 0.000 2.012 134 L HA -0.113 4.252 4.340 0.041 0.000 0.210 134 L C 3.443 180.280 176.870 -0.055 0.000 1.073 134 L CA 1.277 56.090 54.840 -0.043 0.000 0.748 134 L CB -0.463 41.564 42.059 -0.053 0.000 0.891 134 L HN 0.300 nan 8.230 nan 0.000 0.431 135 A N -0.159 122.655 122.820 -0.009 0.000 1.908 135 A HA -0.203 4.142 4.320 0.041 0.000 0.218 135 A C 2.494 180.119 177.584 0.068 0.000 1.181 135 A CA 1.881 53.963 52.037 0.073 0.000 0.627 135 A CB -0.800 18.278 19.000 0.130 0.000 0.818 135 A HN 0.429 nan 8.150 nan 0.000 0.445 136 A N -1.190 121.607 122.820 -0.039 0.000 1.969 136 A HA -0.031 4.314 4.320 0.041 0.000 0.218 136 A C 2.274 179.476 177.584 -0.637 0.000 1.169 136 A CA 2.163 54.092 52.037 -0.180 0.000 0.635 136 A CB -1.092 17.882 19.000 -0.045 0.000 0.810 136 A HN 0.442 nan 8.150 nan 0.000 0.445 137 T N -0.261 114.009 114.554 -0.473 0.000 2.701 137 T HA -0.142 4.233 4.350 0.041 0.000 0.263 137 T C 2.032 176.540 174.700 -0.321 0.000 1.040 137 T CA 1.993 63.824 62.100 -0.448 0.000 1.147 137 T CB -0.766 68.035 68.868 -0.112 0.000 0.865 137 T HN 0.646 nan 8.240 nan 0.000 0.426 138 V N -0.325 119.423 119.914 -0.277 0.000 2.515 138 V HA -0.093 4.052 4.120 0.041 0.000 0.250 138 V C 1.617 177.454 176.094 -0.428 0.000 1.058 138 V CA 1.316 63.403 62.300 -0.355 0.000 1.064 138 V CB -1.037 30.529 31.823 -0.429 0.000 0.675 138 V HN 0.548 nan 8.190 nan 0.000 0.461 139 Y N 1.931 122.144 120.300 -0.145 0.000 2.470 139 Y HA 0.561 5.139 4.550 0.047 0.000 0.284 139 Y C 1.909 177.739 175.900 -0.116 0.000 1.188 139 Y CA 0.062 58.096 58.100 -0.109 0.000 1.269 139 Y CB -0.300 38.104 38.460 -0.094 0.000 1.094 139 Y HN 0.462 nan 8.280 nan 0.000 0.518 140 G N 0.341 109.092 108.800 -0.082 0.000 2.160 140 G HA2 -0.315 3.670 3.960 0.041 0.000 0.251 140 G HA3 -0.315 3.670 3.960 0.041 0.000 0.251 140 G C -0.155 174.769 174.900 0.039 0.000 1.008 140 G CA 0.240 45.323 45.100 -0.029 0.000 0.724 140 G HN 0.675 nan 8.290 nan 0.000 0.514 141 H N -2.455 116.637 119.070 0.037 0.000 2.748 141 H HA -0.148 4.432 4.556 0.040 0.000 0.322 141 H C -0.480 174.845 175.328 -0.005 0.000 1.208 141 H CA 1.007 57.061 56.048 0.009 0.000 1.151 141 H CB -1.538 28.220 29.762 -0.007 0.000 1.505 141 H HN 0.539 nan 8.280 nan 0.000 0.429 142 P HA -0.189 nan 4.420 nan 0.000 0.217 142 P C 1.623 178.917 177.300 -0.011 0.000 1.148 142 P CA 2.101 65.209 63.100 0.013 0.000 0.834 142 P CB 0.030 31.716 31.700 -0.024 0.000 0.783 143 S N -1.025 114.659 115.700 -0.027 0.000 2.607 143 S HA -0.027 4.468 4.470 0.041 0.000 0.224 143 S C 1.500 176.067 174.600 -0.056 0.000 0.969 143 S CA 0.285 58.438 58.200 -0.079 0.000 0.927 143 S CB -0.845 62.258 63.200 -0.161 0.000 0.772 143 S HN 0.209 nan 8.310 nan 0.000 0.533 144 E N 0.542 120.735 120.200 -0.011 0.000 2.479 144 E HA 0.180 4.555 4.350 0.041 0.000 0.193 144 E C 1.004 177.598 176.600 -0.010 0.000 1.049 144 E CA -0.074 56.317 56.400 -0.014 0.000 0.870 144 E CB 0.204 29.901 29.700 -0.005 0.000 0.944 144 E HN 0.501 nan 8.360 nan 0.000 0.492 145 R N 0.194 120.688 120.500 -0.010 0.000 2.565 145 R HA 0.339 4.704 4.340 0.041 0.000 0.347 145 R C -0.024 176.266 176.300 -0.018 0.000 1.010 145 R CA 0.067 56.162 56.100 -0.008 0.000 1.126 145 R CB 0.995 31.296 30.300 0.002 0.000 1.331 145 R HN 0.000 nan 8.270 nan 0.000 0.552 146 L N -0.512 120.694 121.223 -0.029 0.000 2.409 146 L HA 0.420 4.785 4.340 0.041 0.000 0.255 146 L C -0.512 176.337 176.870 -0.036 0.000 1.027 146 L CA -0.772 54.047 54.840 -0.035 0.000 0.834 146 L CB 2.813 44.843 42.059 -0.049 0.000 1.426 146 L HN -0.206 nan 8.230 nan 0.000 0.411 147 T N 1.441 115.978 114.554 -0.028 0.000 2.781 147 T HA 0.429 4.804 4.350 0.041 0.000 0.305 147 T C -0.441 174.248 174.700 -0.018 0.000 1.001 147 T CA -0.286 61.803 62.100 -0.017 0.000 0.950 147 T CB 0.885 69.750 68.868 -0.004 0.000 0.955 147 T HN 0.135 nan 8.240 nan 0.000 0.471 148 V N 5.840 125.738 119.914 -0.028 0.000 2.394 148 V HA 0.461 4.606 4.120 0.041 0.000 0.282 148 V C 0.068 176.233 176.094 0.118 0.000 1.031 148 V CA -0.760 61.528 62.300 -0.020 0.000 0.881 148 V CB 1.146 32.853 31.823 -0.194 0.000 0.982 148 V HN 0.779 nan 8.190 nan 0.000 0.451 149 I N 4.123 124.777 120.570 0.139 0.000 2.354 149 I HA 0.598 4.792 4.170 0.041 0.000 0.292 149 I C 0.790 177.042 176.117 0.224 0.000 0.989 149 I CA -0.071 61.330 61.300 0.168 0.000 1.188 149 I CB 1.666 39.709 38.000 0.073 0.000 1.342 149 I HN 0.700 nan 8.210 nan 0.000 0.457 150 G N 7.121 116.026 108.800 0.176 0.000 2.379 150 G HA2 0.761 4.746 3.960 0.041 0.000 0.327 150 G HA3 0.761 4.746 3.960 0.041 0.000 0.327 150 G C -0.760 174.074 174.900 -0.110 0.000 1.145 150 G CA -0.421 44.630 45.100 -0.081 0.000 0.905 150 G HN 0.492 nan 8.290 nan 0.000 0.466 151 I N 1.405 121.946 120.570 -0.049 0.000 2.418 151 I HA 0.389 4.584 4.170 0.041 0.000 0.287 151 I C 0.155 176.270 176.117 -0.003 0.000 1.008 151 I CA -0.512 60.786 61.300 -0.003 0.000 1.104 151 I CB 2.445 40.455 38.000 0.016 0.000 1.264 151 I HN 0.435 nan 8.210 nan 0.000 0.438 152 T N 3.645 118.222 114.554 0.037 0.000 2.926 152 T HA 0.936 5.311 4.350 0.041 0.000 0.289 152 T C -0.401 174.226 174.700 -0.121 0.000 1.054 152 T CA -0.145 61.968 62.100 0.021 0.000 1.015 152 T CB 1.907 70.831 68.868 0.092 0.000 1.167 152 T HN 1.025 nan 8.240 nan 0.000 0.526 153 G N 0.667 109.373 108.800 -0.157 0.000 2.339 153 G HA2 0.133 4.118 3.960 0.041 0.000 0.381 153 G HA3 0.133 4.118 3.960 0.041 0.000 0.381 153 G C 0.505 175.337 174.900 -0.113 0.000 1.400 153 G CA 0.197 45.068 45.100 -0.382 0.000 1.002 153 G HN 0.677 nan 8.290 nan 0.000 0.633 154 T N 0.370 114.869 114.554 -0.092 0.000 2.708 154 T HA 0.171 4.545 4.350 0.041 0.000 0.266 154 T C 1.259 176.000 174.700 0.068 0.000 1.037 154 T CA 2.019 64.182 62.100 0.106 0.000 1.146 154 T CB -0.230 68.721 68.868 0.138 0.000 0.865 154 T HN 0.735 nan 8.240 nan 0.000 0.435 155 S N -1.559 114.127 115.700 -0.023 0.000 2.599 155 S HA 0.564 5.058 4.470 0.041 0.000 0.294 155 S C 0.950 175.550 174.600 -0.000 0.000 1.094 155 S CA -0.260 57.936 58.200 -0.008 0.000 0.931 155 S CB 1.899 65.040 63.200 -0.098 0.000 1.093 155 S HN 0.565 nan 8.310 nan 0.000 0.488 156 G N 0.990 109.830 108.800 0.067 0.000 2.176 156 G HA2 -0.268 3.717 3.960 0.041 0.000 0.253 156 G HA3 -0.268 3.717 3.960 0.041 0.000 0.253 156 G C 0.708 175.644 174.900 0.060 0.000 0.979 156 G CA 0.653 45.811 45.100 0.097 0.000 0.641 156 G HN 0.594 nan 8.290 nan 0.000 0.530 157 K N -0.233 120.196 120.400 0.048 0.000 1.984 157 K HA -0.043 4.302 4.320 0.041 0.000 0.209 157 K C 2.668 179.310 176.600 0.069 0.000 1.046 157 K CA 1.822 58.135 56.287 0.043 0.000 0.934 157 K CB -0.475 32.052 32.500 0.044 0.000 0.717 157 K HN 0.345 nan 8.250 nan 0.000 0.438 158 T N 1.100 115.700 114.554 0.077 0.000 2.607 158 T HA -0.181 4.194 4.350 0.041 0.000 0.267 158 T C 2.004 176.798 174.700 0.156 0.000 1.049 158 T CA 2.242 64.403 62.100 0.101 0.000 1.162 158 T CB -0.650 68.218 68.868 0.000 0.000 0.863 158 T HN 0.320 nan 8.240 nan 0.000 0.424 159 T N 1.802 116.407 114.554 0.086 0.000 2.720 159 T HA -0.130 4.245 4.350 0.041 0.000 0.268 159 T C 2.253 177.019 174.700 0.110 0.000 1.037 159 T CA 1.736 63.883 62.100 0.079 0.000 1.144 159 T CB -0.788 68.115 68.868 0.058 0.000 0.864 159 T HN 0.434 nan 8.240 nan 0.000 0.444 160 T N 2.169 116.773 114.554 0.083 0.000 2.777 160 T HA -0.114 4.261 4.350 0.041 0.000 0.266 160 T C 2.539 177.273 174.700 0.057 0.000 1.040 160 T CA 1.748 63.880 62.100 0.054 0.000 1.141 160 T CB -0.728 68.156 68.868 0.027 0.000 0.868 160 T HN 0.720 nan 8.240 nan 0.000 0.444 161 T N -0.258 114.341 114.554 0.075 0.000 2.833 161 T HA -0.110 4.265 4.350 0.041 0.000 0.269 161 T C 1.736 176.430 174.700 -0.011 0.000 1.054 161 T CA 0.891 63.006 62.100 0.026 0.000 1.135 161 T CB -0.792 68.086 68.868 0.016 0.000 0.869 161 T HN 0.426 nan 8.240 nan 0.000 0.466 162 Y N 1.255 121.541 120.300 -0.023 0.000 2.242 162 Y HA 0.181 4.739 4.550 0.012 0.000 0.291 162 Y C 2.369 178.256 175.900 -0.021 0.000 1.137 162 Y CA 0.832 58.916 58.100 -0.025 0.000 1.181 162 Y CB -0.237 38.205 38.460 -0.029 0.000 0.989 162 Y HN 0.156 nan 8.280 nan 0.000 0.527 163 L N -1.591 119.699 121.223 0.111 0.000 2.072 163 L HA -0.188 4.177 4.340 0.041 0.000 0.205 163 L C 2.246 179.119 176.870 0.005 0.000 1.079 163 L CA 0.598 55.469 54.840 0.052 0.000 0.752 163 L CB -0.745 41.337 42.059 0.038 0.000 0.906 163 L HN 0.022 nan 8.230 nan 0.000 0.436 164 V N -0.124 119.783 119.914 -0.012 0.000 2.255 164 V HA -0.311 3.834 4.120 0.041 0.000 0.247 164 V C 2.596 178.663 176.094 -0.046 0.000 1.051 164 V CA 2.069 64.349 62.300 -0.033 0.000 1.018 164 V CB -0.540 31.264 31.823 -0.032 0.000 0.641 164 V HN 0.516 nan 8.190 nan 0.000 0.445 165 E N 0.143 120.298 120.200 -0.075 0.000 2.204 165 E HA -0.226 4.149 4.350 0.041 0.000 0.195 165 E C 2.183 178.740 176.600 -0.071 0.000 0.990 165 E CA 1.457 57.795 56.400 -0.103 0.000 0.821 165 E CB -0.069 29.509 29.700 -0.204 0.000 0.750 165 E HN 0.561 nan 8.360 nan 0.000 0.477 166 A N 0.585 123.380 122.820 -0.041 0.000 1.898 166 A HA -0.033 4.312 4.320 0.041 0.000 0.216 166 A C 2.430 180.005 177.584 -0.016 0.000 1.181 166 A CA 1.613 53.642 52.037 -0.014 0.000 0.620 166 A CB -0.940 18.070 19.000 0.018 0.000 0.819 166 A HN 0.394 nan 8.150 nan 0.000 0.442 167 G N -0.230 108.558 108.800 -0.020 0.000 2.404 167 G HA2 -0.087 3.898 3.960 0.041 0.000 0.215 167 G HA3 -0.087 3.898 3.960 0.041 0.000 0.215 167 G C 1.378 176.265 174.900 -0.022 0.000 1.174 167 G CA 1.053 46.141 45.100 -0.021 0.000 0.780 167 G HN 0.307 nan 8.290 nan 0.000 0.537 168 L N 0.535 121.742 121.223 -0.027 0.000 2.043 168 L HA -0.030 4.335 4.340 0.041 0.000 0.212 168 L C 2.928 179.784 176.870 -0.024 0.000 1.075 168 L CA 1.529 56.353 54.840 -0.026 0.000 0.752 168 L CB -0.954 41.085 42.059 -0.033 0.000 0.891 168 L HN 0.111 nan 8.230 nan 0.000 0.432 169 R N -0.899 119.585 120.500 -0.027 0.000 2.081 169 R HA -0.097 4.268 4.340 0.041 0.000 0.235 169 R C 2.272 178.564 176.300 -0.015 0.000 1.131 169 R CA 1.491 57.578 56.100 -0.022 0.000 0.960 169 R CB -0.722 29.564 30.300 -0.023 0.000 0.856 169 R HN 0.416 nan 8.270 nan 0.000 0.436 170 A N 0.187 123.000 122.820 -0.012 0.000 1.933 170 A HA -0.076 4.268 4.320 0.041 0.000 0.218 170 A C 2.156 179.736 177.584 -0.006 0.000 1.175 170 A CA 1.703 53.736 52.037 -0.008 0.000 0.628 170 A CB -0.744 18.252 19.000 -0.006 0.000 0.814 170 A HN 0.391 nan 8.150 nan 0.000 0.444 171 A N -1.760 121.055 122.820 -0.008 0.000 2.206 171 A HA 0.386 4.731 4.320 0.041 0.000 0.211 171 A C 1.802 179.383 177.584 -0.005 0.000 1.158 171 A CA 1.259 53.293 52.037 -0.005 0.000 0.761 171 A CB -1.001 17.996 19.000 -0.005 0.000 0.801 171 A HN 1.938 nan 8.150 nan 0.000 0.473 172 G N -0.733 108.062 108.800 -0.008 0.000 2.147 172 G HA2 -0.232 3.753 3.960 0.041 0.000 0.244 172 G HA3 -0.232 3.753 3.960 0.041 0.000 0.244 172 G C 0.171 175.065 174.900 -0.010 0.000 1.005 172 G CA 0.122 45.217 45.100 -0.009 0.000 0.713 172 G HN 0.513 nan 8.290 nan 0.000 0.515 173 R N -0.461 120.032 120.500 -0.013 0.000 2.531 173 R HA 0.425 4.790 4.340 0.041 0.000 0.273 173 R C 0.388 176.676 176.300 -0.019 0.000 1.070 173 R CA -0.527 55.564 56.100 -0.014 0.000 1.112 173 R CB 1.179 31.470 30.300 -0.015 0.000 1.049 173 R HN 0.134 nan 8.270 nan 0.000 0.508 174 V N 2.646 122.548 119.914 -0.019 0.000 2.372 174 V HA 0.248 4.393 4.120 0.041 0.000 0.261 174 V C 0.575 176.651 176.094 -0.030 0.000 1.055 174 V CA -0.274 62.011 62.300 -0.024 0.000 0.930 174 V CB 0.555 32.366 31.823 -0.021 0.000 1.031 174 V HN 0.818 nan 8.190 nan 0.000 0.479 175 A N 4.231 127.029 122.820 -0.037 0.000 2.299 175 A HA 0.969 5.314 4.320 0.041 0.000 0.332 175 A C 0.283 177.833 177.584 -0.056 0.000 1.131 175 A CA -0.191 51.818 52.037 -0.047 0.000 0.844 175 A CB 1.671 20.638 19.000 -0.055 0.000 1.251 175 A HN 0.954 nan 8.150 nan 0.000 0.486 176 G N -0.554 108.209 108.800 -0.062 0.000 2.591 176 G HA2 0.580 4.565 3.960 0.041 0.000 0.306 176 G HA3 0.580 4.565 3.960 0.041 0.000 0.306 176 G C -1.554 173.295 174.900 -0.085 0.000 1.334 176 G CA -0.407 44.651 45.100 -0.070 0.000 0.981 176 G HN 1.012 nan 8.290 nan 0.000 0.491 177 L N 1.739 122.899 121.223 -0.106 0.000 2.386 177 L HA 0.832 5.197 4.340 0.041 0.000 0.271 177 L C -1.175 175.638 176.870 -0.095 0.000 0.993 177 L CA -1.009 53.751 54.840 -0.132 0.000 0.819 177 L CB 1.780 43.689 42.059 -0.250 0.000 1.294 177 L HN 0.446 nan 8.230 nan 0.000 0.414 178 I N 5.016 125.548 120.570 -0.064 0.000 2.468 178 I HA 0.772 4.966 4.170 0.041 0.000 0.285 178 I C 0.101 176.209 176.117 -0.015 0.000 1.039 178 I CA -0.258 61.021 61.300 -0.035 0.000 1.074 178 I CB 1.670 39.658 38.000 -0.020 0.000 1.228 178 I HN 0.778 nan 8.210 nan 0.000 0.436 179 G N 2.696 111.491 108.800 -0.009 0.000 2.578 179 G HA2 0.232 4.216 3.960 0.041 0.000 0.302 179 G HA3 0.232 4.216 3.960 0.041 0.000 0.302 179 G C 0.236 175.133 174.900 -0.005 0.000 1.243 179 G CA -0.028 45.076 45.100 0.007 0.000 0.843 179 G HN 0.348 nan 8.290 nan 0.000 0.486 180 T N 0.629 115.169 114.554 -0.023 0.000 2.867 180 T HA -0.016 4.359 4.350 0.041 0.000 0.268 180 T C 2.265 176.899 174.700 -0.110 0.000 1.057 180 T CA 1.479 63.547 62.100 -0.054 0.000 1.136 180 T CB -0.108 68.704 68.868 -0.093 0.000 0.874 180 T HN 0.293 nan 8.240 nan 0.000 0.466 181 I N 0.452 120.916 120.570 -0.176 0.000 2.716 181 I HA 0.274 4.469 4.170 0.041 0.000 0.259 181 I C 1.587 177.692 176.117 -0.020 0.000 1.172 181 I CA 0.458 61.643 61.300 -0.192 0.000 1.478 181 I CB -0.093 37.773 38.000 -0.223 0.000 1.104 181 I HN 0.471 nan 8.210 nan 0.000 0.439 182 G N 0.455 109.253 108.800 -0.002 0.000 2.334 182 G HA2 0.207 4.192 3.960 0.041 0.000 0.249 182 G HA3 0.207 4.192 3.960 0.041 0.000 0.249 182 G C -1.639 173.253 174.900 -0.012 0.000 1.327 182 G CA -0.838 44.264 45.100 0.002 0.000 0.979 182 G HN -0.087 nan 8.290 nan 0.000 0.471 183 I N 0.483 121.041 120.570 -0.020 0.000 2.509 183 I HA 0.712 4.906 4.170 0.041 0.000 0.293 183 I C 0.069 176.160 176.117 -0.043 0.000 1.020 183 I CA -0.499 60.779 61.300 -0.038 0.000 1.088 183 I CB 2.244 40.222 38.000 -0.036 0.000 1.267 183 I HN 0.454 nan 8.210 nan 0.000 0.430 184 R N 4.366 124.827 120.500 -0.066 0.000 2.502 184 R HA 0.792 5.157 4.340 0.041 0.000 0.300 184 R C -1.621 174.639 176.300 -0.067 0.000 0.984 184 R CA -0.700 55.359 56.100 -0.069 0.000 0.882 184 R CB 2.441 32.679 30.300 -0.103 0.000 1.180 184 R HN 0.411 nan 8.270 nan 0.000 0.444 185 V N 3.365 123.248 119.914 -0.051 0.000 2.668 185 V HA 0.713 4.858 4.120 0.041 0.000 0.304 185 V C 0.638 176.709 176.094 -0.038 0.000 1.071 185 V CA 0.539 62.810 62.300 -0.047 0.000 0.894 185 V CB 1.305 33.102 31.823 -0.045 0.000 1.008 185 V HN 0.923 nan 8.190 nan 0.000 0.425 186 G N 5.760 114.538 108.800 -0.036 0.000 2.684 186 G HA2 -0.313 3.671 3.960 0.041 0.000 0.332 186 G HA3 -0.313 3.671 3.960 0.041 0.000 0.332 186 G C 1.113 175.998 174.900 -0.025 0.000 1.306 186 G CA 0.748 45.831 45.100 -0.028 0.000 1.002 186 G HN 2.159 nan 8.290 nan 0.000 0.545 187 G N 0.504 109.292 108.800 -0.019 0.000 2.650 187 G HA2 0.512 4.497 3.960 0.041 0.000 0.214 187 G HA3 0.512 4.497 3.960 0.041 0.000 0.214 187 G C 0.786 175.678 174.900 -0.014 0.000 1.136 187 G CA 1.515 46.605 45.100 -0.015 0.000 0.789 187 G HN 1.697 nan 8.290 nan 0.000 0.536 188 A N 0.114 122.923 122.820 -0.018 0.000 2.304 188 A HA 0.572 4.917 4.320 0.041 0.000 0.301 188 A C -0.788 176.784 177.584 -0.019 0.000 1.132 188 A CA -0.478 51.549 52.037 -0.017 0.000 0.819 188 A CB 0.859 19.848 19.000 -0.018 0.000 1.094 188 A HN 0.148 nan 8.150 nan 0.000 0.492 189 D N 1.619 122.012 120.400 -0.013 0.000 2.855 189 D HA 0.530 5.194 4.640 0.041 0.000 0.241 189 D C -1.487 174.809 176.300 -0.005 0.000 1.277 189 D CA -0.154 53.841 54.000 -0.010 0.000 0.918 189 D CB 1.086 41.886 40.800 0.000 0.000 1.462 189 D HN 0.517 nan 8.370 nan 0.000 0.559 190 L N 1.562 122.780 121.223 -0.008 0.000 2.393 190 L HA 0.746 5.110 4.340 0.041 0.000 0.260 190 L C -2.708 174.160 176.870 -0.003 0.000 1.002 190 L CA -1.905 52.931 54.840 -0.006 0.000 0.818 190 L CB 2.281 44.333 42.059 -0.012 0.000 1.369 190 L HN 0.075 nan 8.230 nan 0.000 0.412 191 P HA 0.379 nan 4.420 nan 0.000 0.279 191 P C -1.080 176.221 177.300 0.001 0.000 1.276 191 P CA -0.441 62.664 63.100 0.009 0.000 0.801 191 P CB 1.643 33.351 31.700 0.014 0.000 1.127 192 S N -2.094 113.610 115.700 0.006 0.000 2.546 192 S HA 0.607 5.101 4.470 0.041 0.000 0.274 192 S C 0.722 175.324 174.600 0.003 0.000 1.121 192 S CA -0.323 57.876 58.200 -0.002 0.000 0.887 192 S CB 1.495 64.691 63.200 -0.006 0.000 1.094 192 S HN 0.472 nan 8.310 nan 0.000 0.474 193 A N 1.761 124.577 122.820 -0.006 0.000 1.969 193 A HA 0.374 4.719 4.320 0.041 0.000 0.218 193 A C 0.599 178.176 177.584 -0.012 0.000 1.169 193 A CA 0.763 52.795 52.037 -0.009 0.000 0.635 193 A CB -0.542 18.448 19.000 -0.016 0.000 0.810 193 A HN 0.781 nan 8.150 nan 0.000 0.445 194 L N -3.174 118.039 121.223 -0.016 0.000 2.393 194 L HA 0.315 4.680 4.340 0.041 0.000 0.260 194 L C 1.145 178.008 176.870 -0.012 0.000 1.002 194 L CA -0.720 54.104 54.840 -0.026 0.000 0.818 194 L CB 1.776 43.807 42.059 -0.046 0.000 1.369 194 L HN 0.004 nan 8.230 nan 0.000 0.412 195 T N -0.327 114.221 114.554 -0.009 0.000 2.720 195 T HA -0.088 4.287 4.350 0.041 0.000 0.268 195 T C 0.519 175.223 174.700 0.007 0.000 1.037 195 T CA 1.556 63.661 62.100 0.008 0.000 1.144 195 T CB -0.109 68.776 68.868 0.027 0.000 0.864 195 T HN 0.629 nan 8.240 nan 0.000 0.444 196 T N 2.636 117.189 114.554 -0.002 0.000 2.881 196 T HA 0.459 4.834 4.350 0.041 0.000 0.291 196 T C -2.768 171.930 174.700 -0.003 0.000 0.990 196 T CA -1.349 60.758 62.100 0.010 0.000 0.976 196 T CB 2.236 71.121 68.868 0.029 0.000 0.970 196 T HN -0.076 nan 8.240 nan 0.000 0.438 197 P HA 0.206 nan 4.420 nan 0.000 0.272 197 P C 0.164 177.459 177.300 -0.009 0.000 1.240 197 P CA -0.583 62.508 63.100 -0.015 0.000 0.791 197 P CB 0.564 32.249 31.700 -0.024 0.000 0.978 198 E N 0.383 120.576 120.200 -0.012 0.000 2.422 198 E HA 0.013 4.388 4.350 0.041 0.000 0.260 198 E C 1.441 178.038 176.600 -0.005 0.000 1.108 198 E CA 0.097 56.494 56.400 -0.005 0.000 0.943 198 E CB 0.306 30.003 29.700 -0.005 0.000 0.961 198 E HN 0.422 nan 8.360 nan 0.000 0.443 199 A N 4.076 126.898 122.820 0.003 0.000 1.884 199 A HA -0.185 4.159 4.320 0.041 0.000 0.219 199 A C -0.467 177.115 177.584 -0.003 0.000 1.197 199 A CA 1.888 53.926 52.037 0.002 0.000 0.637 199 A CB -1.680 17.326 19.000 0.010 0.000 0.827 199 A HN 0.453 nan 8.150 nan 0.000 0.450 200 P HA -0.089 nan 4.420 nan 0.000 0.216 200 P C 1.493 178.771 177.300 -0.037 0.000 1.150 200 P CA 1.816 64.943 63.100 0.045 0.000 0.837 200 P CB -0.246 31.500 31.700 0.077 0.000 0.786 201 T N 0.007 114.535 114.554 -0.044 0.000 2.701 201 T HA -0.116 4.259 4.350 0.041 0.000 0.263 201 T C 1.672 176.296 174.700 -0.127 0.000 1.040 201 T CA 0.932 62.983 62.100 -0.083 0.000 1.147 201 T CB -1.024 67.815 68.868 -0.049 0.000 0.865 201 T HN -0.027 nan 8.240 nan 0.000 0.426 202 L N 1.577 122.746 121.223 -0.089 0.000 1.997 202 L HA -0.175 4.190 4.340 0.041 0.000 0.216 202 L C 2.409 179.187 176.870 -0.153 0.000 1.074 202 L CA 1.874 56.657 54.840 -0.095 0.000 0.763 202 L CB -0.865 41.162 42.059 -0.053 0.000 0.890 202 L HN 0.146 nan 8.230 nan 0.000 0.434 203 Q N -0.415 119.285 119.800 -0.167 0.000 2.084 203 Q HA -0.121 4.244 4.340 0.041 0.000 0.202 203 Q C 2.323 178.023 176.000 -0.502 0.000 0.978 203 Q CA 1.791 57.462 55.803 -0.220 0.000 0.844 203 Q CB -0.790 27.905 28.738 -0.070 0.000 0.898 203 Q HN 0.696 nan 8.270 nan 0.000 0.426 204 A N 0.500 122.867 122.820 -0.755 0.000 1.898 204 A HA -0.146 4.199 4.320 0.041 0.000 0.216 204 A C 2.217 179.548 177.584 -0.423 0.000 1.181 204 A CA 1.415 52.883 52.037 -0.947 0.000 0.620 204 A CB -0.493 18.074 19.000 -0.723 0.000 0.819 204 A HN 0.296 nan 8.150 nan 0.000 0.442 205 M N -0.585 118.854 119.600 -0.269 0.000 2.080 205 M HA -0.154 4.351 4.480 0.041 0.000 0.260 205 M C 2.142 178.356 176.300 -0.144 0.000 1.068 205 M CA 1.587 56.788 55.300 -0.164 0.000 1.109 205 M CB -0.508 32.019 32.600 -0.122 0.000 1.342 205 M HN 0.405 nan 8.290 nan 0.000 0.405 206 L N -0.580 120.551 121.223 -0.154 0.000 2.046 206 L HA -0.178 4.187 4.340 0.041 0.000 0.208 206 L C 2.798 179.607 176.870 -0.103 0.000 1.077 206 L CA 1.161 55.930 54.840 -0.118 0.000 0.747 206 L CB -0.993 40.994 42.059 -0.120 0.000 0.896 206 L HN 0.315 nan 8.230 nan 0.000 0.432 207 A N 0.208 122.946 122.820 -0.136 0.000 1.908 207 A HA -0.201 4.144 4.320 0.041 0.000 0.218 207 A C 2.545 180.096 177.584 -0.055 0.000 1.181 207 A CA 1.900 53.893 52.037 -0.072 0.000 0.627 207 A CB -0.695 18.274 19.000 -0.053 0.000 0.818 207 A HN 0.414 nan 8.150 nan 0.000 0.445 208 A N -0.769 122.000 122.820 -0.085 0.000 1.877 208 A HA -0.109 4.236 4.320 0.041 0.000 0.216 208 A C 2.245 179.802 177.584 -0.045 0.000 1.186 208 A CA 1.813 53.817 52.037 -0.056 0.000 0.620 208 A CB -0.554 18.405 19.000 -0.067 0.000 0.822 208 A HN 0.512 nan 8.150 nan 0.000 0.443 209 M N -0.666 118.901 119.600 -0.056 0.000 2.106 209 M HA -0.182 4.323 4.480 0.041 0.000 0.259 209 M C 2.084 178.363 176.300 -0.035 0.000 1.068 209 M CA 1.571 56.843 55.300 -0.046 0.000 1.100 209 M CB -0.473 32.094 32.600 -0.055 0.000 1.351 209 M HN 0.278 nan 8.290 nan 0.000 0.404 210 V N 0.250 120.145 119.914 -0.032 0.000 2.295 210 V HA -0.270 3.875 4.120 0.041 0.000 0.246 210 V C 2.077 178.163 176.094 -0.013 0.000 1.049 210 V CA 2.005 64.293 62.300 -0.020 0.000 1.024 210 V CB -0.746 31.070 31.823 -0.012 0.000 0.648 210 V HN 0.488 nan 8.190 nan 0.000 0.447 211 E N 0.102 120.295 120.200 -0.011 0.000 2.097 211 E HA -0.249 4.125 4.350 0.041 0.000 0.196 211 E C 2.186 178.780 176.600 -0.010 0.000 1.000 211 E CA 1.268 57.664 56.400 -0.006 0.000 0.804 211 E CB -0.224 29.474 29.700 -0.003 0.000 0.740 211 E HN 0.543 nan 8.360 nan 0.000 0.454 212 R N -0.194 120.296 120.500 -0.016 0.000 2.328 212 R HA 0.051 4.416 4.340 0.041 0.000 0.200 212 R C 1.007 177.297 176.300 -0.017 0.000 0.983 212 R CA 0.435 56.525 56.100 -0.017 0.000 1.062 212 R CB 0.090 30.377 30.300 -0.022 0.000 0.956 212 R HN 0.228 nan 8.270 nan 0.000 0.479 213 G N 0.981 109.772 108.800 -0.015 0.000 2.249 213 G HA2 -0.269 3.716 3.960 0.041 0.000 0.273 213 G HA3 -0.269 3.716 3.960 0.041 0.000 0.273 213 G C 0.216 175.105 174.900 -0.018 0.000 1.036 213 G CA 0.162 45.253 45.100 -0.015 0.000 0.824 213 G HN 0.166 nan 8.290 nan 0.000 0.504 214 V N 1.066 120.966 119.914 -0.023 0.000 2.715 214 V HA 0.292 4.436 4.120 0.041 0.000 0.299 214 V C 1.476 177.555 176.094 -0.025 0.000 1.054 214 V CA 0.756 63.040 62.300 -0.027 0.000 1.077 214 V CB 1.514 33.316 31.823 -0.034 0.000 0.972 214 V HN 0.606 nan 8.190 nan 0.000 0.484 215 D N 1.076 121.462 120.400 -0.023 0.000 2.454 215 D HA 0.045 4.710 4.640 0.041 0.000 0.214 215 D C 0.312 176.599 176.300 -0.022 0.000 1.088 215 D CA 0.164 54.152 54.000 -0.020 0.000 0.855 215 D CB 1.092 41.883 40.800 -0.015 0.000 1.025 215 D HN 0.549 nan 8.370 nan 0.000 0.502 216 T N 0.451 114.989 114.554 -0.025 0.000 2.933 216 T HA 0.491 4.866 4.350 0.041 0.000 0.305 216 T C -0.915 173.767 174.700 -0.031 0.000 1.092 216 T CA -0.571 61.515 62.100 -0.024 0.000 1.008 216 T CB 2.809 71.666 68.868 -0.018 0.000 1.102 216 T HN -0.114 nan 8.240 nan 0.000 0.469 217 V N 2.918 122.815 119.914 -0.028 0.000 2.525 217 V HA 0.523 4.668 4.120 0.041 0.000 0.299 217 V C -0.170 175.917 176.094 -0.011 0.000 1.034 217 V CA -0.922 61.359 62.300 -0.032 0.000 0.863 217 V CB 1.722 33.520 31.823 -0.041 0.000 0.999 217 V HN 0.829 nan 8.190 nan 0.000 0.423 218 V N 3.409 123.309 119.914 -0.024 0.000 2.539 218 V HA 0.679 4.824 4.120 0.041 0.000 0.292 218 V C -0.104 175.993 176.094 0.004 0.000 1.045 218 V CA -0.541 61.756 62.300 -0.004 0.000 0.945 218 V CB 1.564 33.366 31.823 -0.036 0.000 0.993 218 V HN 0.848 nan 8.190 nan 0.000 0.464 219 M N 2.281 121.910 119.600 0.049 0.000 2.386 219 M HA 0.441 4.946 4.480 0.041 0.000 0.293 219 M C -0.694 175.637 176.300 0.052 0.000 1.120 219 M CA -0.395 54.943 55.300 0.064 0.000 0.909 219 M CB 2.915 35.606 32.600 0.151 0.000 1.661 219 M HN 0.751 nan 8.290 nan 0.000 0.452 220 E N 2.103 122.326 120.200 0.039 0.000 2.290 220 E HA 0.288 4.663 4.350 0.041 0.000 0.277 220 E C -1.035 175.587 176.600 0.038 0.000 1.035 220 E CA -0.276 56.146 56.400 0.036 0.000 0.873 220 E CB 1.241 30.965 29.700 0.039 0.000 1.029 220 E HN 0.293 nan 8.360 nan 0.000 0.419 221 V N 3.584 123.505 119.914 0.011 0.000 2.304 221 V HA 0.095 4.240 4.120 0.041 0.000 0.278 221 V C 0.276 176.382 176.094 0.018 0.000 1.018 221 V CA -0.723 61.575 62.300 -0.002 0.000 0.814 221 V CB 0.831 32.582 31.823 -0.121 0.000 1.021 221 V HN 0.714 nan 8.190 nan 0.000 0.440 222 S N 3.023 118.748 115.700 0.042 0.000 2.603 222 S HA 0.169 4.664 4.470 0.041 0.000 0.268 222 S C 1.511 176.166 174.600 0.091 0.000 1.317 222 S CA 0.134 58.372 58.200 0.064 0.000 1.012 222 S CB 1.421 64.645 63.200 0.040 0.000 0.926 222 S HN 0.986 nan 8.310 nan 0.000 0.539 223 S N 0.585 116.375 115.700 0.150 0.000 2.423 223 S HA -0.175 4.320 4.470 0.041 0.000 0.231 223 S C 1.431 176.158 174.600 0.211 0.000 1.014 223 S CA 1.216 59.562 58.200 0.243 0.000 0.965 223 S CB -1.026 62.458 63.200 0.474 0.000 0.785 223 S HN 0.869 nan 8.310 nan 0.000 0.495 224 H N 2.113 121.151 119.070 -0.053 0.000 2.319 224 H HA 0.140 4.717 4.556 0.034 0.000 0.299 224 H C 2.568 177.850 175.328 -0.077 0.000 1.092 224 H CA 1.836 57.717 56.048 -0.279 0.000 1.302 224 H CB -0.611 28.840 29.762 -0.517 0.000 1.373 224 H HN 0.570 nan 8.280 nan 0.000 0.497 225 A N 0.497 123.371 122.820 0.090 0.000 1.877 225 A HA -0.147 4.198 4.320 0.041 0.000 0.216 225 A C 2.354 179.991 177.584 0.089 0.000 1.186 225 A CA 1.519 53.598 52.037 0.070 0.000 0.620 225 A CB -0.826 18.209 19.000 0.059 0.000 0.822 225 A HN 0.314 nan 8.150 nan 0.000 0.443 226 L N -0.693 120.589 121.223 0.098 0.000 1.976 226 L HA -0.193 4.172 4.340 0.041 0.000 0.209 226 L C 3.123 180.072 176.870 0.132 0.000 1.071 226 L CA 1.255 56.152 54.840 0.096 0.000 0.746 226 L CB -0.727 41.375 42.059 0.070 0.000 0.890 226 L HN 0.403 nan 8.230 nan 0.000 0.432 227 A N -0.002 122.941 122.820 0.205 0.000 1.927 227 A HA -0.195 4.150 4.320 0.041 0.000 0.220 227 A C 2.082 179.784 177.584 0.195 0.000 1.185 227 A CA 1.871 54.056 52.037 0.248 0.000 0.639 227 A CB -0.789 18.475 19.000 0.439 0.000 0.820 227 A HN 0.444 nan 8.150 nan 0.000 0.451 228 L N -1.637 119.689 121.223 0.172 0.000 2.667 228 L HA 0.313 4.678 4.340 0.041 0.000 0.232 228 L C 1.503 178.423 176.870 0.084 0.000 1.138 228 L CA 0.400 55.321 54.840 0.134 0.000 0.921 228 L CB 0.070 42.203 42.059 0.123 0.000 1.180 228 L HN 0.571 nan 8.230 nan 0.000 0.487 229 G N 0.465 109.314 108.800 0.081 0.000 2.148 229 G HA2 -0.322 3.663 3.960 0.041 0.000 0.254 229 G HA3 -0.322 3.663 3.960 0.041 0.000 0.254 229 G C 1.134 176.066 174.900 0.054 0.000 0.981 229 G CA 0.443 45.580 45.100 0.062 0.000 0.670 229 G HN 0.371 nan 8.290 nan 0.000 0.528 230 R N -0.320 120.214 120.500 0.057 0.000 2.127 230 R HA 0.016 4.381 4.340 0.041 0.000 0.238 230 R C 2.436 178.771 176.300 0.058 0.000 1.134 230 R CA 1.776 57.904 56.100 0.046 0.000 0.975 230 R CB -0.177 30.147 30.300 0.040 0.000 0.865 230 R HN 0.966 nan 8.270 nan 0.000 0.447 231 V N -2.251 117.719 119.914 0.094 0.000 3.249 231 V HA 0.134 4.279 4.120 0.041 0.000 0.338 231 V C 0.543 176.701 176.094 0.106 0.000 1.363 231 V CA 0.168 62.549 62.300 0.134 0.000 1.205 231 V CB 0.455 32.466 31.823 0.313 0.000 1.164 231 V HN -0.087 nan 8.190 nan 0.000 0.458 232 D N 3.186 123.626 120.400 0.067 0.000 2.149 232 D HA -0.059 4.606 4.640 0.041 0.000 0.198 232 D C 2.028 178.352 176.300 0.040 0.000 0.990 232 D CA 2.119 56.152 54.000 0.055 0.000 0.839 232 D CB -0.178 40.645 40.800 0.039 0.000 0.948 232 D HN 0.627 nan 8.370 nan 0.000 0.460 233 G N -0.720 108.093 108.800 0.023 0.000 3.314 233 G HA2 0.072 4.057 3.960 0.041 0.000 0.238 233 G HA3 0.072 4.057 3.960 0.041 0.000 0.238 233 G C 0.062 174.956 174.900 -0.010 0.000 1.184 233 G CA -0.087 45.029 45.100 0.027 0.000 0.806 233 G HN 0.064 nan 8.290 nan 0.000 0.536 234 T N 1.118 115.625 114.554 -0.078 0.000 2.771 234 T HA 0.425 4.800 4.350 0.041 0.000 0.281 234 T C -0.152 174.361 174.700 -0.311 0.000 0.982 234 T CA -0.574 61.371 62.100 -0.258 0.000 0.978 234 T CB 1.585 70.158 68.868 -0.491 0.000 0.930 234 T HN 0.038 nan 8.240 nan 0.000 0.447 235 R N 2.293 122.636 120.500 -0.261 0.000 2.242 235 R HA 0.338 4.703 4.340 0.041 0.000 0.334 235 R C -0.766 175.356 176.300 -0.297 0.000 1.071 235 R CA -0.302 55.689 56.100 -0.182 0.000 0.922 235 R CB -0.529 29.714 30.300 -0.095 0.000 1.023 235 R HN 0.473 nan 8.270 nan 0.000 0.458 236 F N 1.413 121.339 119.950 -0.039 0.000 2.444 236 F HA 0.227 4.772 4.527 0.031 0.000 0.360 236 F C 1.423 177.199 175.800 -0.039 0.000 1.106 236 F CA -0.254 57.717 58.000 -0.048 0.000 1.170 236 F CB 1.157 40.109 39.000 -0.079 0.000 1.113 236 F HN 0.649 nan 8.300 nan 0.000 0.521 237 A N 3.098 125.987 122.820 0.116 0.000 1.929 237 A HA 0.192 4.537 4.320 0.041 0.000 0.216 237 A C 0.485 178.120 177.584 0.085 0.000 1.176 237 A CA 0.857 52.938 52.037 0.074 0.000 0.628 237 A CB -0.051 18.975 19.000 0.042 0.000 0.816 237 A HN 0.421 nan 8.150 nan 0.000 0.444 238 V N -1.273 118.708 119.914 0.111 0.000 2.789 238 V HA 0.664 4.809 4.120 0.041 0.000 0.311 238 V C 0.077 176.200 176.094 0.048 0.000 1.073 238 V CA -0.226 62.121 62.300 0.079 0.000 0.921 238 V CB 1.661 33.524 31.823 0.068 0.000 1.009 238 V HN 0.411 nan 8.190 nan 0.000 0.426 239 G N 1.816 110.604 108.800 -0.020 0.000 2.566 239 G HA2 0.801 4.786 3.960 0.041 0.000 0.311 239 G HA3 0.801 4.786 3.960 0.041 0.000 0.311 239 G C -0.892 174.090 174.900 0.137 0.000 1.322 239 G CA -0.277 44.724 45.100 -0.165 0.000 0.969 239 G HN 1.161 nan 8.290 nan 0.000 0.490 240 A N 1.461 124.405 122.820 0.206 0.000 2.386 240 A HA 0.808 5.153 4.320 0.041 0.000 0.311 240 A C -1.742 176.105 177.584 0.439 0.000 1.068 240 A CA -0.703 51.540 52.037 0.343 0.000 0.743 240 A CB 1.673 20.760 19.000 0.144 0.000 1.258 240 A HN 1.015 nan 8.150 nan 0.000 0.429 241 F N 2.251 122.258 119.950 0.096 0.000 2.449 241 F HA 0.451 5.010 4.527 0.053 0.000 0.342 241 F C 1.342 177.102 175.800 -0.066 0.000 1.127 241 F CA 0.150 58.102 58.000 -0.081 0.000 0.975 241 F CB 2.104 40.787 39.000 -0.529 0.000 1.146 241 F HN 0.677 nan 8.300 nan 0.000 0.444 242 T N 1.219 115.430 114.554 -0.572 0.000 2.901 242 T HA 0.257 4.632 4.350 0.041 0.000 0.252 242 T C -0.033 174.405 174.700 -0.436 0.000 1.035 242 T CA 1.005 62.895 62.100 -0.349 0.000 1.142 242 T CB -0.419 68.314 68.868 -0.226 0.000 0.869 242 T HN 0.746 nan 8.240 nan 0.000 0.442 243 N N -0.811 117.341 118.700 -0.914 0.000 4.016 243 N HA 0.448 5.212 4.740 0.041 0.000 0.227 243 N C -2.292 172.986 175.510 -0.388 0.000 1.337 243 N CA -1.029 51.777 53.050 -0.407 0.000 0.817 243 N CB 0.806 39.201 38.487 -0.154 0.000 1.469 243 N HN 0.324 nan 8.380 nan 0.000 0.448 244 L N 0.080 121.293 121.223 -0.017 0.000 2.493 244 L HA 0.880 5.245 4.340 0.041 0.000 0.265 244 L C -1.339 175.573 176.870 0.069 0.000 0.954 244 L CA 0.152 55.014 54.840 0.036 0.000 0.844 244 L CB 1.994 44.158 42.059 0.176 0.000 1.302 244 L HN 1.096 nan 8.230 nan 0.000 0.405 245 S N 2.539 118.298 115.700 0.098 0.000 2.685 245 S HA 0.690 5.185 4.470 0.041 0.000 0.282 245 S C -1.030 173.683 174.600 0.189 0.000 1.159 245 S CA -1.210 57.049 58.200 0.099 0.000 0.833 245 S CB 1.530 64.745 63.200 0.025 0.000 1.151 245 S HN 0.788 nan 8.310 nan 0.000 0.485 246 R N 0.945 121.518 120.500 0.121 0.000 2.421 246 R HA 0.561 4.926 4.340 0.041 0.000 0.305 246 R C -1.120 175.202 176.300 0.037 0.000 1.039 246 R CA 0.031 56.205 56.100 0.124 0.000 1.003 246 R CB -0.302 30.035 30.300 0.061 0.000 0.959 246 R HN 0.699 nan 8.270 nan 0.000 0.427 247 D N 0.089 120.482 120.400 -0.012 0.000 2.665 247 D HA 0.161 4.825 4.640 0.041 0.000 0.287 247 D C -0.350 175.722 176.300 -0.380 0.000 1.266 247 D CA -0.412 53.443 54.000 -0.241 0.000 0.830 247 D CB 0.874 41.551 40.800 -0.205 0.000 1.356 247 D HN 0.711 nan 8.370 nan 0.000 0.437 248 H N 0.550 119.505 119.070 -0.191 0.000 2.822 248 H HA -0.165 4.415 4.556 0.040 0.000 0.295 248 H C 0.986 176.265 175.328 -0.082 0.000 1.151 248 H CA 0.622 56.589 56.048 -0.135 0.000 1.151 248 H CB -1.523 28.134 29.762 -0.176 0.000 1.343 248 H HN 0.323 nan 8.280 nan 0.000 0.382 249 L N 0.922 122.138 121.223 -0.013 0.000 2.599 249 L HA -0.037 4.328 4.340 0.041 0.000 0.230 249 L C 1.976 178.869 176.870 0.039 0.000 1.141 249 L CA 0.884 55.739 54.840 0.024 0.000 0.877 249 L CB 0.011 42.073 42.059 0.006 0.000 1.009 249 L HN 0.291 nan 8.230 nan 0.000 0.447 250 D N -1.058 119.381 120.400 0.066 0.000 2.350 250 D HA -0.135 4.530 4.640 0.041 0.000 0.213 250 D C 1.629 178.010 176.300 0.136 0.000 1.031 250 D CA 0.286 54.334 54.000 0.080 0.000 0.861 250 D CB 0.245 41.094 40.800 0.082 0.000 0.926 250 D HN 0.383 nan 8.370 nan 0.000 0.520 251 F N 1.153 121.070 119.950 -0.055 0.000 2.536 251 F HA 0.151 4.715 4.527 0.061 0.000 0.278 251 F C 0.726 176.390 175.800 -0.228 0.000 0.945 251 F CA -0.170 57.728 58.000 -0.170 0.000 1.244 251 F CB 0.261 39.048 39.000 -0.355 0.000 1.118 251 F HN -0.220 nan 8.300 nan 0.000 0.725 252 H N 2.441 121.405 119.070 -0.176 0.000 2.722 252 H HA 0.167 4.743 4.556 0.033 0.000 0.328 252 H C -1.744 173.505 175.328 -0.132 0.000 1.067 252 H CA -1.644 54.268 56.048 -0.228 0.000 1.447 252 H CB 0.730 30.483 29.762 -0.016 0.000 1.469 252 H HN 0.114 nan 8.280 nan 0.000 0.544 253 P HA -0.101 nan 4.420 nan 0.000 0.225 253 P C 0.027 177.346 177.300 0.031 0.000 1.148 253 P CA 0.934 64.025 63.100 -0.014 0.000 0.779 253 P CB 0.528 32.208 31.700 -0.033 0.000 0.780 254 S N -4.079 111.665 115.700 0.073 0.000 2.611 254 S HA 0.337 4.832 4.470 0.041 0.000 0.268 254 S C 0.635 175.312 174.600 0.128 0.000 1.156 254 S CA -0.798 57.449 58.200 0.078 0.000 0.817 254 S CB 0.338 63.570 63.200 0.053 0.000 1.122 254 S HN -0.345 nan 8.310 nan 0.000 0.466 255 M N 1.174 120.851 119.600 0.128 0.000 2.202 255 M HA -0.044 4.461 4.480 0.041 0.000 0.262 255 M C 2.388 178.792 176.300 0.174 0.000 1.063 255 M CA 2.218 57.633 55.300 0.191 0.000 1.097 255 M CB -2.059 30.620 32.600 0.132 0.000 1.382 255 M HN 0.963 nan 8.290 nan 0.000 0.413 256 A N 0.401 123.283 122.820 0.103 0.000 1.858 256 A HA -0.192 4.153 4.320 0.041 0.000 0.216 256 A C 1.918 179.584 177.584 0.137 0.000 1.190 256 A CA 1.979 54.072 52.037 0.093 0.000 0.617 256 A CB -0.806 18.223 19.000 0.049 0.000 0.827 256 A HN 0.389 nan 8.150 nan 0.000 0.443 257 D N -1.631 118.831 120.400 0.103 0.000 2.149 257 D HA -0.173 4.491 4.640 0.041 0.000 0.198 257 D C 1.689 177.980 176.300 -0.015 0.000 0.990 257 D CA 1.551 55.595 54.000 0.074 0.000 0.839 257 D CB -0.403 40.451 40.800 0.089 0.000 0.948 257 D HN 0.538 nan 8.370 nan 0.000 0.460 258 Y N 0.661 120.823 120.300 -0.231 0.000 2.114 258 Y HA -0.214 4.351 4.550 0.026 0.000 0.284 258 Y C 2.153 177.964 175.900 -0.148 0.000 1.143 258 Y CA 0.981 58.797 58.100 -0.473 0.000 1.135 258 Y CB -1.082 37.285 38.460 -0.156 0.000 0.980 258 Y HN -0.049 nan 8.280 nan 0.000 0.499 259 F N 1.082 120.931 119.950 -0.169 0.000 2.095 259 F HA -0.216 4.339 4.527 0.046 0.000 0.298 259 F C 2.282 178.024 175.800 -0.097 0.000 1.104 259 F CA 2.173 60.068 58.000 -0.175 0.000 1.232 259 F CB -0.214 38.716 39.000 -0.117 0.000 0.987 259 F HN 0.012 nan 8.300 nan 0.000 0.475 260 E N 1.163 121.405 120.200 0.070 0.000 2.077 260 E HA -0.106 4.269 4.350 0.041 0.000 0.193 260 E C 1.504 178.071 176.600 -0.055 0.000 0.989 260 E CA 0.828 57.233 56.400 0.009 0.000 0.800 260 E CB -1.105 28.646 29.700 0.084 0.000 0.746 260 E HN 0.420 nan 8.360 nan 0.000 0.452 264 S N 0.077 115.750 115.700 -0.046 0.000 2.423 264 S HA -0.194 4.301 4.470 0.041 0.000 0.238 264 S C 1.506 176.021 174.600 -0.141 0.000 1.028 264 S CA 1.891 60.056 58.200 -0.058 0.000 1.000 264 S CB -0.209 62.968 63.200 -0.039 0.000 0.797 264 S HN 0.535 nan 8.310 nan 0.000 0.487 265 L N -0.697 120.347 121.223 -0.297 0.000 2.567 265 L HA 0.378 4.743 4.340 0.041 0.000 0.225 265 L C 0.672 177.013 176.870 -0.883 0.000 1.119 265 L CA 1.084 55.515 54.840 -0.682 0.000 0.871 265 L CB -0.144 41.287 42.059 -1.047 0.000 1.036 265 L HN 0.205 nan 8.230 nan 0.000 0.459 266 F N -2.618 117.271 119.950 -0.101 0.000 2.699 266 F HA 0.252 4.798 4.527 0.032 0.000 0.295 266 F C 0.950 176.712 175.800 -0.064 0.000 1.052 266 F CA -0.876 57.071 58.000 -0.089 0.000 1.239 266 F CB -0.143 38.774 39.000 -0.138 0.000 1.018 266 F HN -0.194 nan 8.300 nan 0.000 0.627 267 D N 3.372 123.827 120.400 0.093 0.000 2.472 267 D HA -0.006 4.659 4.640 0.041 0.000 0.248 267 D C -1.794 174.526 176.300 0.034 0.000 1.174 267 D CA -1.028 53.003 54.000 0.052 0.000 0.883 267 D CB 1.506 42.325 40.800 0.031 0.000 1.149 267 D HN -0.003 nan 8.370 nan 0.000 0.488 268 P HA -0.116 nan 4.420 nan 0.000 0.215 268 P C 0.492 177.804 177.300 0.020 0.000 1.153 268 P CA 0.981 64.099 63.100 0.029 0.000 0.853 268 P CB 0.286 32.004 31.700 0.031 0.000 0.788 269 D N -1.272 119.139 120.400 0.020 0.000 2.349 269 D HA 0.000 4.665 4.640 0.041 0.000 0.224 269 D C 0.716 177.024 176.300 0.014 0.000 1.029 269 D CA 0.521 54.531 54.000 0.017 0.000 0.879 269 D CB -0.281 40.529 40.800 0.017 0.000 0.906 269 D HN 0.134 nan 8.370 nan 0.000 0.528 270 S N 0.152 115.858 115.700 0.011 0.000 2.549 270 S HA 0.297 4.792 4.470 0.041 0.000 0.279 270 S C 1.497 176.101 174.600 0.008 0.000 1.321 270 S CA -0.156 58.048 58.200 0.007 0.000 1.054 270 S CB 1.556 64.753 63.200 -0.005 0.000 0.899 270 S HN 0.149 nan 8.310 nan 0.000 0.497 271 A N 4.852 127.681 122.820 0.014 0.000 1.986 271 A HA -0.029 4.316 4.320 0.041 0.000 0.220 271 A C 1.669 179.269 177.584 0.026 0.000 1.171 271 A CA 1.179 53.229 52.037 0.021 0.000 0.640 271 A CB -0.459 18.557 19.000 0.026 0.000 0.811 271 A HN 0.731 nan 8.150 nan 0.000 0.451 272 L N -0.822 120.412 121.223 0.018 0.000 2.628 272 L HA 0.212 4.577 4.340 0.041 0.000 0.229 272 L C 0.886 177.745 176.870 -0.017 0.000 1.137 272 L CA -0.019 54.839 54.840 0.030 0.000 0.909 272 L CB -1.120 40.947 42.059 0.014 0.000 1.137 272 L HN 0.346 nan 8.230 nan 0.000 0.470 273 R N 2.106 122.588 120.500 -0.032 0.000 2.494 273 R HA 0.095 4.460 4.340 0.041 0.000 0.291 273 R C 0.101 176.382 176.300 -0.031 0.000 0.953 273 R CA 0.421 56.485 56.100 -0.060 0.000 1.098 273 R CB -0.058 30.231 30.300 -0.018 0.000 0.911 273 R HN 0.231 nan 8.270 nan 0.000 0.407 274 A N 4.924 127.687 122.820 -0.095 0.000 2.351 274 A HA 0.238 4.583 4.320 0.041 0.000 0.257 274 A C 1.056 178.651 177.584 0.018 0.000 1.087 274 A CA -0.437 51.597 52.037 -0.004 0.000 0.798 274 A CB 0.515 19.468 19.000 -0.079 0.000 1.033 274 A HN 0.824 nan 8.150 nan 0.000 0.488 275 R N 0.011 120.539 120.500 0.047 0.000 2.096 275 R HA -0.115 4.250 4.340 0.041 0.000 0.240 275 R C 0.855 177.179 176.300 0.040 0.000 1.139 275 R CA 2.095 58.218 56.100 0.037 0.000 0.952 275 R CB -0.604 29.718 30.300 0.037 0.000 0.854 275 R HN 0.929 nan 8.270 nan 0.000 0.436 276 T N -2.338 112.245 114.554 0.049 0.000 2.912 276 T HA 0.687 5.062 4.350 0.041 0.000 0.299 276 T C -1.384 173.369 174.700 0.088 0.000 1.052 276 T CA -0.548 61.589 62.100 0.063 0.000 0.996 276 T CB 2.080 70.982 68.868 0.058 0.000 1.070 276 T HN 0.177 nan 8.240 nan 0.000 0.465 277 A N 3.351 126.248 122.820 0.129 0.000 2.303 277 A HA 0.745 5.090 4.320 0.041 0.000 0.320 277 A C -0.501 177.206 177.584 0.206 0.000 1.192 277 A CA -0.690 51.483 52.037 0.227 0.000 0.821 277 A CB 1.145 20.340 19.000 0.324 0.000 1.188 277 A HN 0.913 nan 8.150 nan 0.000 0.492 278 V N 3.247 123.298 119.914 0.228 0.000 2.417 278 V HA 0.512 4.656 4.120 0.041 0.000 0.291 278 V C -0.465 175.723 176.094 0.157 0.000 1.024 278 V CA -0.399 62.001 62.300 0.167 0.000 0.861 278 V CB 1.391 33.280 31.823 0.110 0.000 0.985 278 V HN 0.632 nan 8.190 nan 0.000 0.436 279 V N 4.198 124.176 119.914 0.108 0.000 2.525 279 V HA 0.276 4.420 4.120 0.041 0.000 0.299 279 V C -0.080 176.072 176.094 0.097 0.000 1.034 279 V CA -0.613 61.721 62.300 0.056 0.000 0.863 279 V CB 1.863 33.626 31.823 -0.100 0.000 0.999 279 V HN 1.019 nan 8.190 nan 0.000 0.423 280 C N 6.883 126.268 119.300 0.141 0.000 2.629 280 C HA 0.376 4.861 4.460 0.041 0.000 0.410 280 C C 1.303 176.365 174.990 0.120 0.000 1.339 280 C CA -0.375 58.711 59.018 0.113 0.000 1.810 280 C CB -1.120 26.670 27.740 0.084 0.000 2.549 280 C HN 0.683 nan 8.230 nan 0.000 0.589 281 I N 4.461 125.074 120.570 0.072 0.000 5.043 281 I HA 0.139 4.334 4.170 0.041 0.000 0.108 281 I C 1.701 177.853 176.117 0.059 0.000 1.147 281 I CA 0.900 62.229 61.300 0.049 0.000 1.268 281 I CB -0.862 37.151 38.000 0.021 0.000 1.313 281 I HN 0.698 nan 8.210 nan 0.000 0.606 282 D N -0.695 119.727 120.400 0.037 0.000 2.705 282 D HA -0.176 4.488 4.640 0.041 0.000 0.187 282 D C 0.027 176.349 176.300 0.036 0.000 1.015 282 D CA 1.627 55.647 54.000 0.033 0.000 1.030 282 D CB -0.720 40.102 40.800 0.038 0.000 1.100 282 D HN 0.548 nan 8.370 nan 0.000 0.439 283 D N -0.778 119.653 120.400 0.051 0.000 2.738 283 D HA 0.199 4.863 4.640 0.041 0.000 0.237 283 D C 0.542 176.866 176.300 0.041 0.000 1.123 283 D CA -0.483 53.553 54.000 0.059 0.000 0.856 283 D CB 1.609 42.481 40.800 0.120 0.000 1.552 283 D HN -0.320 nan 8.370 nan 0.000 0.480 284 D N 2.120 122.529 120.400 0.015 0.000 2.106 284 D HA -0.175 4.490 4.640 0.041 0.000 0.191 284 D C 1.780 178.064 176.300 -0.028 0.000 0.997 284 D CA 1.894 55.883 54.000 -0.019 0.000 0.834 284 D CB -0.160 40.616 40.800 -0.040 0.000 0.956 284 D HN 0.539 nan 8.370 nan 0.000 0.448 285 A N 0.579 123.411 122.820 0.020 0.000 1.917 285 A HA -0.106 4.239 4.320 0.041 0.000 0.219 285 A C 2.396 180.023 177.584 0.072 0.000 1.182 285 A CA 2.403 54.493 52.037 0.089 0.000 0.633 285 A CB -1.184 17.981 19.000 0.274 0.000 0.819 285 A HN 0.330 nan 8.150 nan 0.000 0.448 286 G N -0.933 107.959 108.800 0.153 0.000 2.418 286 G HA2 -0.260 3.725 3.960 0.041 0.000 0.217 286 G HA3 -0.260 3.725 3.960 0.041 0.000 0.217 286 G C 1.763 176.616 174.900 -0.079 0.000 1.158 286 G CA 1.097 46.250 45.100 0.090 0.000 0.771 286 G HN 0.544 nan 8.290 nan 0.000 0.545 287 R N 0.245 120.725 120.500 -0.034 0.000 2.092 287 R HA 0.106 4.471 4.340 0.041 0.000 0.231 287 R C 2.916 179.173 176.300 -0.072 0.000 1.119 287 R CA 1.242 57.313 56.100 -0.049 0.000 0.970 287 R CB -0.256 30.022 30.300 -0.036 0.000 0.864 287 R HN 0.323 nan 8.270 nan 0.000 0.440 288 A N 0.194 122.967 122.820 -0.079 0.000 1.930 288 A HA -0.142 4.203 4.320 0.041 0.000 0.217 288 A C 2.022 179.608 177.584 0.004 0.000 1.175 288 A CA 1.093 53.096 52.037 -0.058 0.000 0.627 288 A CB -0.282 18.605 19.000 -0.187 0.000 0.815 288 A HN 0.192 nan 8.150 nan 0.000 0.443 289 M N -0.313 119.201 119.600 -0.144 0.000 2.117 289 M HA -0.094 4.411 4.480 0.041 0.000 0.262 289 M C 2.511 178.629 176.300 -0.303 0.000 1.065 289 M CA 1.464 56.511 55.300 -0.422 0.000 1.114 289 M CB -1.497 30.409 32.600 -1.157 0.000 1.361 289 M HN 0.490 nan 8.290 nan 0.000 0.408 290 A N 0.234 122.924 122.820 -0.217 0.000 1.883 290 A HA -0.098 4.246 4.320 0.041 0.000 0.217 290 A C 2.410 179.965 177.584 -0.048 0.000 1.186 290 A CA 2.452 54.426 52.037 -0.105 0.000 0.624 290 A CB -1.050 17.918 19.000 -0.054 0.000 0.822 290 A HN 0.489 nan 8.150 nan 0.000 0.444 291 A N -0.650 122.145 122.820 -0.042 0.000 1.933 291 A HA -0.159 4.186 4.320 0.041 0.000 0.218 291 A C 2.182 179.765 177.584 -0.002 0.000 1.175 291 A CA 2.172 54.200 52.037 -0.015 0.000 0.628 291 A CB -0.435 18.555 19.000 -0.017 0.000 0.814 291 A HN 0.470 nan 8.150 nan 0.000 0.444 292 R N 0.091 120.585 120.500 -0.010 0.000 2.070 292 R HA -0.027 4.338 4.340 0.041 0.000 0.233 292 R C 2.204 178.521 176.300 0.029 0.000 1.137 292 R CA 1.915 58.023 56.100 0.014 0.000 0.945 292 R CB -0.895 29.410 30.300 0.007 0.000 0.845 292 R HN 0.393 nan 8.270 nan 0.000 0.430 293 A N -0.445 122.392 122.820 0.028 0.000 2.019 293 A HA 0.102 4.447 4.320 0.041 0.000 0.219 293 A C 1.863 179.483 177.584 0.060 0.000 1.164 293 A CA 2.094 54.178 52.037 0.078 0.000 0.644 293 A CB -0.668 18.396 19.000 0.107 0.000 0.805 293 A HN 0.705 nan 8.150 nan 0.000 0.449 294 A N -0.680 122.165 122.820 0.041 0.000 4.320 294 A HA -0.305 4.040 4.320 0.041 0.000 0.253 294 A C 0.779 178.394 177.584 0.053 0.000 0.699 294 A CA 2.195 54.256 52.037 0.040 0.000 1.188 294 A CB -2.101 16.920 19.000 0.035 0.000 1.126 294 A HN 1.248 nan 8.150 nan 0.000 0.699 295 D N -1.707 118.731 120.400 0.064 0.000 2.940 295 D HA 0.599 5.264 4.640 0.041 0.000 0.366 295 D C -0.066 176.285 176.300 0.085 0.000 1.446 295 D CA 0.672 54.714 54.000 0.069 0.000 0.780 295 D CB -0.619 40.210 40.800 0.048 0.000 1.206 295 D HN 1.248 nan 8.370 nan 0.000 0.454 296 A N 0.531 123.415 122.820 0.107 0.000 2.407 296 A HA 0.480 4.825 4.320 0.041 0.000 0.248 296 A C 0.443 178.136 177.584 0.181 0.000 1.082 296 A CA -0.439 51.676 52.037 0.130 0.000 0.785 296 A CB 0.229 19.289 19.000 0.099 0.000 1.020 296 A HN 0.424 nan 8.150 nan 0.000 0.489 297 I N 2.432 123.104 120.570 0.170 0.000 2.436 297 I HA 0.136 4.331 4.170 0.041 0.000 0.289 297 I C 1.018 177.366 176.117 0.385 0.000 1.083 297 I CA 0.181 61.637 61.300 0.260 0.000 1.372 297 I CB 0.524 38.642 38.000 0.198 0.000 1.408 297 I HN 0.768 nan 8.210 nan 0.000 0.516 298 T N 3.482 118.390 114.554 0.590 0.000 2.928 298 T HA 0.699 5.074 4.350 0.041 0.000 0.284 298 T C -0.356 174.491 174.700 0.245 0.000 1.008 298 T CA -0.727 61.520 62.100 0.245 0.000 1.057 298 T CB 2.037 70.937 68.868 0.053 0.000 1.018 298 T HN 0.226 nan 8.240 nan 0.000 0.493 299 V N 1.696 121.708 119.914 0.162 0.000 2.686 299 V HA 0.750 4.895 4.120 0.041 0.000 0.306 299 V C -0.506 175.648 176.094 0.100 0.000 1.065 299 V CA -0.713 61.686 62.300 0.164 0.000 0.894 299 V CB 2.107 33.991 31.823 0.100 0.000 1.004 299 V HN 1.168 nan 8.190 nan 0.000 0.424 300 S N 3.105 118.864 115.700 0.099 0.000 2.619 300 S HA 0.721 5.216 4.470 0.041 0.000 0.280 300 S C 0.209 174.831 174.600 0.037 0.000 1.150 300 S CA 0.299 58.532 58.200 0.054 0.000 0.978 300 S CB 1.888 65.111 63.200 0.039 0.000 1.041 300 S HN 1.142 nan 8.310 nan 0.000 0.485 301 A N 3.238 126.059 122.820 0.000 0.000 2.430 301 A HA 0.681 5.026 4.320 0.041 0.000 0.243 301 A C 1.065 178.634 177.584 -0.025 0.000 1.254 301 A CA 0.393 52.404 52.037 -0.043 0.000 0.914 301 A CB -0.091 18.842 19.000 -0.112 0.000 0.998 301 A HN 1.273 nan 8.150 nan 0.000 0.515 302 A N -0.785 122.034 122.820 -0.001 0.000 2.676 302 A HA 0.518 4.863 4.320 0.041 0.000 0.297 302 A C 0.254 177.843 177.584 0.007 0.000 1.132 302 A CA 0.489 52.528 52.037 0.003 0.000 0.972 302 A CB -0.265 18.740 19.000 0.009 0.000 1.197 302 A HN 0.289 nan 8.150 nan 0.000 0.524 303 D N -0.629 119.777 120.400 0.010 0.000 3.090 303 D HA -0.140 4.525 4.640 0.041 0.000 0.215 303 D C 0.242 176.546 176.300 0.007 0.000 1.140 303 D CA 1.269 55.276 54.000 0.011 0.000 0.937 303 D CB -0.965 39.841 40.800 0.009 0.000 1.108 303 D HN 0.749 nan 8.370 nan 0.000 0.420 304 R N 0.235 120.739 120.500 0.006 0.000 2.536 304 R HA 0.621 4.985 4.340 0.041 0.000 0.279 304 R C -2.393 173.903 176.300 -0.007 0.000 1.001 304 R CA -1.720 54.379 56.100 -0.002 0.000 1.027 304 R CB 0.465 30.763 30.300 -0.003 0.000 1.096 304 R HN -0.001 nan 8.270 nan 0.000 0.502 305 P HA 0.171 nan 4.420 nan 0.000 0.271 305 P C -1.232 176.028 177.300 -0.068 0.000 1.220 305 P CA -0.029 63.048 63.100 -0.037 0.000 0.768 305 P CB 1.233 32.907 31.700 -0.044 0.000 0.848 306 A N 2.094 124.869 122.820 -0.075 0.000 2.602 306 A HA 0.441 4.786 4.320 0.041 0.000 0.290 306 A C 0.689 178.197 177.584 -0.127 0.000 1.114 306 A CA -0.482 51.481 52.037 -0.124 0.000 0.683 306 A CB 0.395 19.400 19.000 0.008 0.000 1.281 306 A HN 0.565 nan 8.150 nan 0.000 0.416 307 H N -1.048 118.084 119.070 0.104 0.000 2.387 307 H HA -0.060 4.520 4.556 0.040 0.000 0.299 307 H C -0.461 174.863 175.328 -0.006 0.000 1.090 307 H CA 1.509 57.589 56.048 0.054 0.000 1.332 307 H CB 0.053 29.884 29.762 0.114 0.000 1.386 307 H HN 0.580 nan 8.280 nan 0.000 0.516 308 W N 0.758 122.143 121.300 0.143 0.000 2.632 308 W HA 0.500 5.189 4.660 0.050 0.000 0.328 308 W C -0.070 176.494 176.519 0.076 0.000 1.044 308 W CA -0.627 56.786 57.345 0.114 0.000 1.225 308 W CB 1.203 30.735 29.460 0.119 0.000 1.396 308 W HN -0.217 nan 8.180 nan 0.000 0.499 309 R N 1.514 122.192 120.500 0.297 0.000 2.837 309 R HA 0.850 5.215 4.340 0.041 0.000 0.271 309 R C -0.909 175.523 176.300 0.219 0.000 0.993 309 R CA -1.037 55.178 56.100 0.191 0.000 0.931 309 R CB 1.862 32.225 30.300 0.105 0.000 1.206 309 R HN 0.480 nan 8.270 nan 0.000 0.474 310 A N 0.727 123.630 122.820 0.140 0.000 2.304 310 A HA 0.687 5.032 4.320 0.041 0.000 0.323 310 A C -0.416 177.244 177.584 0.126 0.000 1.195 310 A CA -0.427 51.702 52.037 0.154 0.000 0.826 310 A CB 0.890 19.829 19.000 -0.101 0.000 1.184 310 A HN 0.726 nan 8.150 nan 0.000 0.496 311 T N -1.192 113.471 114.554 0.182 0.000 2.865 311 T HA 0.591 4.965 4.350 0.041 0.000 0.294 311 T C -0.797 173.993 174.700 0.150 0.000 1.119 311 T CA -0.249 61.923 62.100 0.120 0.000 1.007 311 T CB 1.310 70.224 68.868 0.076 0.000 1.225 311 T HN 0.689 nan 8.240 nan 0.000 0.515 312 D N -0.002 120.461 120.400 0.105 0.000 2.697 312 D HA -0.111 4.554 4.640 0.041 0.000 0.238 312 D C -0.167 176.227 176.300 0.156 0.000 1.152 312 D CA 0.424 54.491 54.000 0.111 0.000 0.666 312 D CB -1.673 39.191 40.800 0.106 0.000 1.037 312 D HN 0.573 nan 8.370 nan 0.000 0.423 313 V N 0.105 120.099 119.914 0.133 0.000 2.439 313 V HA 0.473 4.618 4.120 0.041 0.000 0.271 313 V C 0.956 177.109 176.094 0.097 0.000 1.040 313 V CA 0.145 62.529 62.300 0.140 0.000 1.002 313 V CB 1.244 33.098 31.823 0.052 0.000 1.000 313 V HN 0.451 nan 8.190 nan 0.000 0.477 314 A N 8.410 131.298 122.820 0.114 0.000 2.371 314 A HA 0.940 5.285 4.320 0.041 0.000 0.311 314 A C -2.730 174.889 177.584 0.059 0.000 1.068 314 A CA -1.831 50.247 52.037 0.068 0.000 0.744 314 A CB 1.905 20.943 19.000 0.064 0.000 1.239 314 A HN 0.599 nan 8.150 nan 0.000 0.435 315 P HA 0.477 nan 4.420 nan 0.000 0.279 315 P C -0.332 176.979 177.300 0.018 0.000 1.252 315 P CA 0.037 63.149 63.100 0.020 0.000 0.811 315 P CB 1.371 33.069 31.700 -0.004 0.000 1.035 316 T N -4.055 110.510 114.554 0.019 0.000 2.906 316 T HA 0.598 4.973 4.350 0.041 0.000 0.295 316 T C 0.048 174.755 174.700 0.013 0.000 1.075 316 T CA -0.608 61.500 62.100 0.013 0.000 1.005 316 T CB 0.230 69.105 68.868 0.011 0.000 1.136 316 T HN 0.454 nan 8.240 nan 0.000 0.498 317 D N -0.353 120.053 120.400 0.010 0.000 2.370 317 D HA 0.448 5.112 4.640 0.041 0.000 0.235 317 D C 1.278 177.582 176.300 0.007 0.000 1.228 317 D CA 0.302 54.309 54.000 0.011 0.000 0.884 317 D CB -0.719 40.085 40.800 0.007 0.000 1.201 317 D HN 2.148 nan 8.370 nan 0.000 0.456 318 A N -0.552 122.271 122.820 0.005 0.000 2.869 318 A HA 0.314 4.659 4.320 0.041 0.000 0.280 318 A C 2.163 179.749 177.584 0.004 0.000 1.458 318 A CA 1.505 53.541 52.037 -0.002 0.000 0.776 318 A CB -1.909 17.086 19.000 -0.008 0.000 1.028 318 A HN 2.833 nan 8.150 nan 0.000 0.547 319 G N -2.641 106.167 108.800 0.015 0.000 2.321 319 G HA2 0.118 4.103 3.960 0.041 0.000 0.287 319 G HA3 0.118 4.103 3.960 0.041 0.000 0.287 319 G C 1.422 176.332 174.900 0.017 0.000 1.018 319 G CA 1.348 46.461 45.100 0.021 0.000 0.855 319 G HN 2.534 nan 8.290 nan 0.000 0.507 320 G N -1.856 106.955 108.800 0.017 0.000 2.887 320 G HA2 0.726 4.711 3.960 0.041 0.000 0.277 320 G HA3 0.726 4.711 3.960 0.041 0.000 0.277 320 G C -0.574 174.346 174.900 0.034 0.000 1.346 320 G CA -0.246 44.867 45.100 0.022 0.000 1.058 320 G HN 0.569 nan 8.290 nan 0.000 0.535 321 Q N -0.934 118.900 119.800 0.057 0.000 2.315 321 Q HA 0.427 4.791 4.340 0.041 0.000 0.273 321 Q C -1.325 174.765 176.000 0.150 0.000 1.053 321 Q CA -0.657 55.205 55.803 0.098 0.000 0.817 321 Q CB 2.222 31.021 28.738 0.102 0.000 1.326 321 Q HN 0.700 nan 8.270 nan 0.000 0.423 322 Q N 2.846 122.743 119.800 0.162 0.000 2.347 322 Q HA 0.735 5.099 4.340 0.041 0.000 0.271 322 Q C -1.323 174.838 176.000 0.268 0.000 1.064 322 Q CA -0.800 55.093 55.803 0.151 0.000 0.800 322 Q CB 1.846 30.612 28.738 0.047 0.000 1.304 322 Q HN 0.515 nan 8.270 nan 0.000 0.438 323 F N -2.014 117.997 119.950 0.103 0.000 2.685 323 F HA 0.705 5.256 4.527 0.040 0.000 0.315 323 F C -1.234 174.636 175.800 0.116 0.000 1.126 323 F CA -1.061 56.998 58.000 0.097 0.000 0.950 323 F CB 1.605 40.643 39.000 0.064 0.000 1.360 323 F HN 0.348 nan 8.300 nan 0.000 0.469 324 T N 1.838 116.508 114.554 0.194 0.000 2.767 324 T HA 0.694 5.069 4.350 0.041 0.000 0.284 324 T C -0.333 174.525 174.700 0.264 0.000 0.973 324 T CA -0.321 61.797 62.100 0.031 0.000 0.996 324 T CB 1.110 69.934 68.868 -0.073 0.000 0.927 324 T HN 0.884 nan 8.240 nan 0.000 0.456 325 A N 4.284 127.244 122.820 0.233 0.000 2.260 325 A HA 0.695 5.040 4.320 0.041 0.000 0.314 325 A C -0.091 177.717 177.584 0.372 0.000 1.257 325 A CA -0.723 51.587 52.037 0.454 0.000 0.871 325 A CB 0.076 19.404 19.000 0.546 0.000 1.166 325 A HN 0.894 nan 8.150 nan 0.000 0.522 326 I N 3.367 124.107 120.570 0.283 0.000 2.312 326 I HA 0.209 4.404 4.170 0.041 0.000 0.290 326 I C -0.127 175.937 176.117 -0.088 0.000 1.008 326 I CA -0.728 60.624 61.300 0.087 0.000 1.226 326 I CB 1.289 39.309 38.000 0.032 0.000 1.371 326 I HN 0.827 nan 8.210 nan 0.000 0.468 327 D N 7.545 127.747 120.400 -0.329 0.000 2.414 327 D HA 0.163 4.828 4.640 0.041 0.000 0.251 327 D C -2.061 173.829 176.300 -0.684 0.000 1.252 327 D CA -1.908 51.441 54.000 -1.084 0.000 0.999 327 D CB 0.101 40.333 40.800 -0.948 0.000 1.093 327 D HN 0.158 nan 8.370 nan 0.000 0.515 328 P HA -0.006 nan 4.420 nan 0.000 0.222 328 P C 0.880 178.079 177.300 -0.169 0.000 1.147 328 P CA 1.715 64.644 63.100 -0.286 0.000 0.790 328 P CB -0.107 31.467 31.700 -0.210 0.000 0.780 329 A N -0.750 121.957 122.820 -0.187 0.000 2.206 329 A HA 0.371 4.716 4.320 0.041 0.000 0.211 329 A C 1.699 179.221 177.584 -0.103 0.000 1.158 329 A CA 0.928 52.898 52.037 -0.111 0.000 0.761 329 A CB -1.262 17.684 19.000 -0.090 0.000 0.801 329 A HN 0.247 nan 8.150 nan 0.000 0.473 330 G N -1.294 107.427 108.800 -0.132 0.000 2.132 330 G HA2 -0.099 3.886 3.960 0.041 0.000 0.234 330 G HA3 -0.099 3.886 3.960 0.041 0.000 0.234 330 G C 0.337 175.167 174.900 -0.117 0.000 0.989 330 G CA 0.418 45.455 45.100 -0.105 0.000 0.676 330 G HN 1.692 nan 8.290 nan 0.000 0.522 331 V N 0.517 120.341 119.914 -0.149 0.000 2.465 331 V HA 0.854 4.999 4.120 0.041 0.000 0.279 331 V C 0.834 176.734 176.094 -0.324 0.000 1.045 331 V CA 0.390 62.560 62.300 -0.216 0.000 0.938 331 V CB 1.404 33.095 31.823 -0.219 0.000 0.986 331 V HN 1.202 nan 8.190 nan 0.000 0.467 332 G N 4.531 113.130 108.800 -0.336 0.000 2.420 332 G HA2 0.576 4.561 3.960 0.041 0.000 0.284 332 G HA3 0.576 4.561 3.960 0.041 0.000 0.284 332 G C -1.126 173.462 174.900 -0.520 0.000 1.177 332 G CA -0.393 44.535 45.100 -0.286 0.000 0.841 332 G HN 0.993 nan 8.290 nan 0.000 0.527 333 H N -0.342 118.695 119.070 -0.054 0.000 2.667 333 H HA 0.284 4.865 4.556 0.043 0.000 0.353 333 H C -0.593 174.665 175.328 -0.115 0.000 1.072 333 H CA -0.747 55.275 56.048 -0.043 0.000 1.214 333 H CB 1.429 31.222 29.762 0.052 0.000 1.600 333 H HN 0.454 nan 8.280 nan 0.000 0.527 334 H N 3.736 122.824 119.070 0.029 0.000 3.015 334 H HA 0.088 4.668 4.556 0.041 0.000 0.268 334 H C -0.128 175.112 175.328 -0.146 0.000 1.113 334 H CA 0.115 56.120 56.048 -0.071 0.000 1.479 334 H CB 0.108 29.842 29.762 -0.046 0.000 1.493 334 H HN 0.397 nan 8.280 nan 0.000 0.486 335 I N 2.621 123.057 120.570 -0.223 0.000 2.460 335 I HA 0.344 4.539 4.170 0.041 0.000 0.298 335 I C 1.083 176.993 176.117 -0.345 0.000 0.989 335 I CA -0.688 60.372 61.300 -0.399 0.000 1.173 335 I CB 1.656 39.136 38.000 -0.866 0.000 1.338 335 I HN 0.511 nan 8.210 nan 0.000 0.456 336 G N 6.012 114.715 108.800 -0.162 0.000 2.591 336 G HA2 0.742 4.727 3.960 0.041 0.000 0.306 336 G HA3 0.742 4.727 3.960 0.041 0.000 0.306 336 G C -1.456 173.442 174.900 -0.003 0.000 1.334 336 G CA -0.445 44.619 45.100 -0.060 0.000 0.981 336 G HN 0.562 nan 8.290 nan 0.000 0.491 337 I N 1.493 122.095 120.570 0.054 0.000 2.656 337 I HA 0.466 4.661 4.170 0.041 0.000 0.292 337 I C 0.475 176.619 176.117 0.046 0.000 1.144 337 I CA -1.194 60.148 61.300 0.071 0.000 1.038 337 I CB 2.435 40.523 38.000 0.147 0.000 1.244 337 I HN 0.615 nan 8.210 nan 0.000 0.420 338 R N 4.857 125.373 120.500 0.026 0.000 2.323 338 R HA 0.263 4.628 4.340 0.041 0.000 0.198 338 R C -0.487 175.815 176.300 0.004 0.000 0.988 338 R CA 0.443 56.551 56.100 0.013 0.000 1.041 338 R CB -0.045 30.259 30.300 0.007 0.000 0.926 338 R HN 0.501 nan 8.270 nan 0.000 0.476 339 L N 1.753 122.974 121.223 -0.002 0.000 2.317 339 L HA 0.490 4.855 4.340 0.041 0.000 0.281 339 L C -2.226 174.612 176.870 -0.054 0.000 1.024 339 L CA -2.410 52.409 54.840 -0.034 0.000 0.810 339 L CB 1.536 43.558 42.059 -0.061 0.000 1.240 339 L HN -0.130 nan 8.230 nan 0.000 0.427 340 P HA 0.484 nan 4.420 nan 0.000 0.280 340 P C -0.262 176.942 177.300 -0.160 0.000 1.272 340 P CA -0.223 62.838 63.100 -0.065 0.000 0.819 340 P CB 1.579 33.272 31.700 -0.012 0.000 1.122 341 G N 0.331 109.055 108.800 -0.127 0.000 2.911 341 G HA2 -0.146 3.838 3.960 0.041 0.000 0.686 341 G HA3 -0.146 3.838 3.960 0.041 0.000 0.686 341 G C 0.441 175.216 174.900 -0.209 0.000 1.136 341 G CA -0.335 44.670 45.100 -0.159 0.000 0.764 341 G HN 0.532 nan 8.290 nan 0.000 0.626 342 R N 1.127 121.581 120.500 -0.077 0.000 2.103 342 R HA -0.143 4.221 4.340 0.041 0.000 0.242 342 R C 2.517 178.766 176.300 -0.085 0.000 1.142 342 R CA 3.270 59.328 56.100 -0.070 0.000 0.960 342 R CB -0.805 29.499 30.300 0.006 0.000 0.858 342 R HN 1.082 nan 8.270 nan 0.000 0.439 343 Y N -1.518 118.751 120.300 -0.051 0.000 2.439 343 Y HA 0.110 4.681 4.550 0.035 0.000 0.292 343 Y C 1.361 177.227 175.900 -0.056 0.000 1.130 343 Y CA 0.811 58.881 58.100 -0.050 0.000 1.254 343 Y CB -0.528 37.913 38.460 -0.032 0.000 1.000 343 Y HN -0.033 nan 8.280 nan 0.000 0.554 344 N N 0.629 118.901 118.700 -0.713 0.000 2.409 344 N HA -0.071 4.694 4.740 0.041 0.000 0.179 344 N C 1.743 177.101 175.510 -0.254 0.000 1.032 344 N CA 1.082 53.847 53.050 -0.474 0.000 0.898 344 N CB -0.033 38.152 38.487 -0.503 0.000 0.971 344 N HN 0.379 nan 8.380 nan 0.000 0.441 345 V N 1.133 120.868 119.914 -0.299 0.000 2.358 345 V HA -0.134 4.011 4.120 0.041 0.000 0.246 345 V C 2.368 178.264 176.094 -0.330 0.000 1.047 345 V CA 1.670 63.697 62.300 -0.454 0.000 1.035 345 V CB -0.805 30.640 31.823 -0.630 0.000 0.658 345 V HN 0.241 nan 8.190 nan 0.000 0.452 346 A N 0.480 123.190 122.820 -0.183 0.000 1.902 346 A HA -0.233 4.112 4.320 0.041 0.000 0.217 346 A C 2.072 179.625 177.584 -0.052 0.000 1.181 346 A CA 2.021 54.008 52.037 -0.082 0.000 0.623 346 A CB -0.695 18.300 19.000 -0.007 0.000 0.818 346 A HN 0.574 nan 8.150 nan 0.000 0.443 347 N N -0.289 118.389 118.700 -0.037 0.000 2.104 347 N HA -0.176 4.588 4.740 0.041 0.000 0.190 347 N C 1.788 177.282 175.510 -0.028 0.000 1.024 347 N CA 1.571 54.612 53.050 -0.016 0.000 0.853 347 N CB -1.069 37.419 38.487 0.002 0.000 1.008 347 N HN 0.586 nan 8.380 nan 0.000 0.424 348 C N 0.820 120.105 119.300 -0.025 0.000 2.440 348 C HA 0.091 4.576 4.460 0.041 0.000 0.278 348 C C 2.700 177.690 174.990 0.000 0.000 1.295 348 C CA 0.118 59.159 59.018 0.037 0.000 1.738 348 C CB -1.218 26.634 27.740 0.187 0.000 1.987 348 C HN 0.383 nan 8.230 nan 0.000 0.492 349 L N 0.261 121.467 121.223 -0.028 0.000 2.046 349 L HA -0.125 4.240 4.340 0.041 0.000 0.208 349 L C 2.642 179.358 176.870 -0.255 0.000 1.077 349 L CA 1.423 56.204 54.840 -0.098 0.000 0.747 349 L CB -0.684 41.369 42.059 -0.011 0.000 0.896 349 L HN 0.229 nan 8.230 nan 0.000 0.432 350 V N 0.065 119.892 119.914 -0.144 0.000 2.295 350 V HA -0.321 3.824 4.120 0.041 0.000 0.246 350 V C 2.770 178.760 176.094 -0.172 0.000 1.049 350 V CA 1.841 64.061 62.300 -0.133 0.000 1.024 350 V CB -0.948 30.847 31.823 -0.048 0.000 0.648 350 V HN 0.499 nan 8.190 nan 0.000 0.447 351 A N -0.121 122.620 122.820 -0.132 0.000 1.883 351 A HA -0.210 4.135 4.320 0.041 0.000 0.217 351 A C 2.225 179.679 177.584 -0.216 0.000 1.186 351 A CA 2.121 54.085 52.037 -0.121 0.000 0.624 351 A CB -0.634 18.328 19.000 -0.063 0.000 0.822 351 A HN 0.505 nan 8.150 nan 0.000 0.444 352 L N -0.854 120.164 121.223 -0.342 0.000 2.046 352 L HA -0.208 4.157 4.340 0.041 0.000 0.208 352 L C 3.125 179.517 176.870 -0.797 0.000 1.077 352 L CA 1.101 55.608 54.840 -0.555 0.000 0.747 352 L CB -0.612 41.037 42.059 -0.684 0.000 0.896 352 L HN 0.449 nan 8.230 nan 0.000 0.432 353 A N 0.414 122.624 122.820 -1.018 0.000 1.883 353 A HA -0.211 4.134 4.320 0.041 0.000 0.217 353 A C 2.229 179.705 177.584 -0.179 0.000 1.186 353 A CA 1.743 53.377 52.037 -0.673 0.000 0.624 353 A CB -0.735 17.942 19.000 -0.538 0.000 0.822 353 A HN 0.337 nan 8.150 nan 0.000 0.444 354 I N -0.414 120.064 120.570 -0.153 0.000 2.099 354 I HA -0.306 3.889 4.170 0.041 0.000 0.239 354 I C 2.468 178.562 176.117 -0.039 0.000 1.066 354 I CA 1.507 62.776 61.300 -0.053 0.000 1.324 354 I CB -0.450 37.526 38.000 -0.040 0.000 1.037 354 I HN 0.303 nan 8.210 nan 0.000 0.401 355 L N 0.261 121.439 121.223 -0.075 0.000 2.043 355 L HA -0.293 4.072 4.340 0.041 0.000 0.212 355 L C 2.245 179.114 176.870 -0.002 0.000 1.075 355 L CA 1.805 56.619 54.840 -0.044 0.000 0.752 355 L CB -0.706 41.314 42.059 -0.066 0.000 0.891 355 L HN 0.315 nan 8.230 nan 0.000 0.432 356 D N -0.297 120.115 120.400 0.021 0.000 2.092 356 D HA -0.217 4.448 4.640 0.041 0.000 0.193 356 D C 2.148 178.508 176.300 0.100 0.000 0.994 356 D CA 1.996 56.067 54.000 0.119 0.000 0.828 356 D CB 0.043 41.035 40.800 0.321 0.000 0.963 356 D HN 0.359 nan 8.370 nan 0.000 0.450 357 T N -2.340 112.269 114.554 0.092 0.000 3.007 357 T HA -0.076 4.299 4.350 0.041 0.000 0.270 357 T C 1.742 176.472 174.700 0.049 0.000 1.107 357 T CA 0.686 62.832 62.100 0.076 0.000 1.118 357 T CB -0.202 68.712 68.868 0.076 0.000 0.889 357 T HN 0.016 nan 8.240 nan 0.000 0.506 358 V N 0.818 120.755 119.914 0.037 0.000 3.542 358 V HA 0.492 4.636 4.120 0.041 0.000 0.296 358 V C 1.595 177.702 176.094 0.021 0.000 1.364 358 V CA 0.476 62.791 62.300 0.025 0.000 1.118 358 V CB -0.482 31.350 31.823 0.016 0.000 0.972 358 V HN 0.867 nan 8.190 nan 0.000 0.430 359 G N 0.531 109.349 108.800 0.030 0.000 2.165 359 G HA2 -0.176 3.809 3.960 0.041 0.000 0.226 359 G HA3 -0.176 3.809 3.960 0.041 0.000 0.226 359 G C -0.119 174.794 174.900 0.022 0.000 1.035 359 G CA 0.147 45.264 45.100 0.028 0.000 0.744 359 G HN 0.453 nan 8.290 nan 0.000 0.501 360 V N 1.485 121.412 119.914 0.021 0.000 2.407 360 V HA 0.685 4.830 4.120 0.041 0.000 0.291 360 V C 0.799 176.904 176.094 0.017 0.000 1.018 360 V CA -0.226 62.082 62.300 0.012 0.000 0.842 360 V CB 1.612 33.434 31.823 -0.002 0.000 0.996 360 V HN 0.955 nan 8.190 nan 0.000 0.426 361 S N 5.315 121.026 115.700 0.019 0.000 2.614 361 S HA 0.409 4.904 4.470 0.041 0.000 0.265 361 S C -1.730 172.855 174.600 -0.025 0.000 1.303 361 S CA -1.075 57.135 58.200 0.016 0.000 1.000 361 S CB 1.277 64.493 63.200 0.027 0.000 0.935 361 S HN 0.470 nan 8.310 nan 0.000 0.551 362 P HA -0.068 nan 4.420 nan 0.000 0.216 362 P C 1.872 179.148 177.300 -0.040 0.000 1.153 362 P CA 2.359 65.382 63.100 -0.129 0.000 0.858 362 P CB -0.423 31.029 31.700 -0.412 0.000 0.789 363 E N 0.395 120.598 120.200 0.005 0.000 2.058 363 E HA -0.285 4.090 4.350 0.041 0.000 0.194 363 E C 2.000 178.612 176.600 0.020 0.000 0.997 363 E CA 1.642 58.068 56.400 0.044 0.000 0.801 363 E CB -1.733 28.008 29.700 0.068 0.000 0.746 363 E HN 0.450 nan 8.360 nan 0.000 0.450 364 Q N -0.842 118.966 119.800 0.012 0.000 2.226 364 Q HA 0.054 4.419 4.340 0.041 0.000 0.204 364 Q C 2.498 178.497 176.000 -0.003 0.000 0.975 364 Q CA 1.164 56.971 55.803 0.006 0.000 0.866 364 Q CB -0.052 28.689 28.738 0.006 0.000 0.915 364 Q HN 0.600 nan 8.270 nan 0.000 0.440 365 A N -0.022 122.791 122.820 -0.011 0.000 1.984 365 A HA -0.014 4.331 4.320 0.041 0.000 0.214 365 A C 2.122 179.698 177.584 -0.014 0.000 1.173 365 A CA 0.342 52.369 52.037 -0.018 0.000 0.673 365 A CB -0.318 18.663 19.000 -0.033 0.000 0.830 365 A HN 0.222 nan 8.150 nan 0.000 0.453 366 V N 0.830 120.737 119.914 -0.011 0.000 2.490 366 V HA -0.101 4.044 4.120 0.041 0.000 0.250 366 V C -0.628 175.461 176.094 -0.008 0.000 1.061 366 V CA 2.297 64.590 62.300 -0.012 0.000 1.064 366 V CB -0.672 31.145 31.823 -0.009 0.000 0.670 366 V HN 0.371 nan 8.190 nan 0.000 0.461 367 P HA -0.098 nan 4.420 nan 0.000 0.216 367 P C 1.541 178.840 177.300 -0.001 0.000 1.150 367 P CA 1.755 64.853 63.100 -0.003 0.000 0.837 367 P CB -0.352 31.347 31.700 -0.001 0.000 0.786 368 G N -1.099 107.701 108.800 -0.001 0.000 2.572 368 G HA2 -0.100 3.885 3.960 0.041 0.000 0.216 368 G HA3 -0.100 3.885 3.960 0.041 0.000 0.216 368 G C 1.323 176.228 174.900 0.009 0.000 1.133 368 G CA 0.252 45.354 45.100 0.003 0.000 0.791 368 G HN 0.231 nan 8.290 nan 0.000 0.538 369 L N -0.549 120.677 121.223 0.006 0.000 2.249 369 L HA 0.198 4.563 4.340 0.041 0.000 0.207 369 L C 2.701 179.580 176.870 0.016 0.000 1.090 369 L CA 0.274 55.122 54.840 0.015 0.000 0.802 369 L CB -0.323 41.742 42.059 0.011 0.000 0.947 369 L HN 0.123 nan 8.230 nan 0.000 0.453 370 R N 1.547 122.049 120.500 0.004 0.000 2.170 370 R HA -0.217 4.148 4.340 0.041 0.000 0.242 370 R C 1.532 177.835 176.300 0.006 0.000 1.145 370 R CA 2.090 58.191 56.100 0.001 0.000 0.984 370 R CB 0.122 30.418 30.300 -0.007 0.000 0.869 370 R HN 0.651 nan 8.270 nan 0.000 0.455 371 E N -1.340 118.866 120.200 0.010 0.000 2.676 371 E HA 0.119 4.494 4.350 0.041 0.000 0.225 371 E C 0.154 176.764 176.600 0.018 0.000 0.944 371 E CA -0.401 56.005 56.400 0.010 0.000 1.156 371 E CB 0.007 29.711 29.700 0.006 0.000 1.117 371 E HN 0.217 nan 8.360 nan 0.000 0.523 372 I N 3.207 123.794 120.570 0.028 0.000 2.575 372 I HA 0.127 4.321 4.170 0.041 0.000 0.285 372 I C -0.172 175.963 176.117 0.031 0.000 1.085 372 I CA -0.643 60.684 61.300 0.046 0.000 1.403 372 I CB 0.540 38.589 38.000 0.081 0.000 1.409 372 I HN 0.119 nan 8.210 nan 0.000 0.557 373 R N 7.290 127.802 120.500 0.020 0.000 2.562 373 R HA 0.502 4.867 4.340 0.041 0.000 0.298 373 R C -2.109 174.139 176.300 -0.088 0.000 0.961 373 R CA -0.546 55.541 56.100 -0.023 0.000 0.881 373 R CB 1.412 31.698 30.300 -0.023 0.000 1.159 373 R HN 0.382 nan 8.270 nan 0.000 0.450 374 V N 4.310 124.120 119.914 -0.173 0.000 2.394 374 V HA 0.341 4.486 4.120 0.041 0.000 0.282 374 V C -2.134 173.755 176.094 -0.342 0.000 1.031 374 V CA -2.295 59.742 62.300 -0.438 0.000 0.881 374 V CB 1.379 32.998 31.823 -0.340 0.000 0.982 374 V HN 0.702 nan 8.190 nan 0.000 0.451 375 P HA 0.239 nan 4.420 nan 0.000 0.266 375 P C 1.003 178.217 177.300 -0.143 0.000 1.215 375 P CA 0.995 63.969 63.100 -0.210 0.000 0.763 375 P CB 0.663 32.249 31.700 -0.190 0.000 0.806 376 G N 2.843 111.621 108.800 -0.036 0.000 2.184 376 G HA2 -0.245 3.740 3.960 0.041 0.000 0.264 376 G HA3 -0.245 3.740 3.960 0.041 0.000 0.264 376 G C 0.149 175.089 174.900 0.066 0.000 0.975 376 G CA -0.333 44.795 45.100 0.046 0.000 0.642 376 G HN 0.512 nan 8.290 nan 0.000 0.536 377 R N -0.199 120.303 120.500 0.005 0.000 2.332 377 R HA 0.509 4.874 4.340 0.041 0.000 0.306 377 R C 0.721 177.051 176.300 0.050 0.000 1.117 377 R CA -1.219 54.912 56.100 0.053 0.000 1.108 377 R CB 0.307 30.615 30.300 0.013 0.000 1.126 377 R HN 0.547 nan 8.270 nan 0.000 0.548 378 L N 0.740 122.013 121.223 0.084 0.000 3.678 378 L HA -0.240 4.125 4.340 0.041 0.000 0.425 378 L C 0.388 177.277 176.870 0.032 0.000 1.240 378 L CA 0.990 55.870 54.840 0.066 0.000 0.876 378 L CB -1.410 40.684 42.059 0.058 0.000 1.766 378 L HN 0.665 nan 8.230 nan 0.000 0.917 379 E N 1.140 121.356 120.200 0.027 0.000 2.166 379 E HA 0.220 4.595 4.350 0.041 0.000 0.279 379 E C 0.573 177.185 176.600 0.020 0.000 1.095 379 E CA -0.410 55.995 56.400 0.007 0.000 0.888 379 E CB 0.478 30.176 29.700 -0.003 0.000 1.041 379 E HN 0.513 nan 8.360 nan 0.000 0.414 380 Q N 3.586 123.393 119.800 0.011 0.000 2.288 380 Q HA 0.299 4.664 4.340 0.041 0.000 0.254 380 Q C -0.680 175.317 176.000 -0.004 0.000 0.932 380 Q CA -0.506 55.303 55.803 0.011 0.000 0.902 380 Q CB 1.092 29.833 28.738 0.006 0.000 1.203 380 Q HN 0.401 nan 8.270 nan 0.000 0.415 381 I N 2.665 123.230 120.570 -0.009 0.000 2.362 381 I HA 0.183 4.378 4.170 0.041 0.000 0.289 381 I C -0.987 175.096 176.117 -0.057 0.000 0.994 381 I CA -0.212 61.075 61.300 -0.022 0.000 1.158 381 I CB 1.728 39.724 38.000 -0.006 0.000 1.315 381 I HN 0.676 nan 8.210 nan 0.000 0.451 382 D N 6.082 126.448 120.400 -0.057 0.000 2.446 382 D HA 0.343 5.007 4.640 0.041 0.000 0.251 382 D C -0.080 176.180 176.300 -0.066 0.000 1.137 382 D CA -0.505 53.447 54.000 -0.080 0.000 0.890 382 D CB 0.749 41.510 40.800 -0.064 0.000 1.071 382 D HN 0.082 nan 8.370 nan 0.000 0.528 383 R N 1.449 121.903 120.500 -0.076 0.000 2.935 383 R HA 0.503 4.867 4.340 0.041 0.000 0.354 383 R C 0.193 176.458 176.300 -0.057 0.000 1.206 383 R CA -0.510 55.558 56.100 -0.053 0.000 1.082 383 R CB 0.357 30.634 30.300 -0.038 0.000 1.431 383 R HN 0.558 nan 8.270 nan 0.000 0.582 384 G N 1.529 110.287 108.800 -0.070 0.000 2.859 384 G HA2 -0.106 3.879 3.960 0.041 0.000 0.251 384 G HA3 -0.106 3.879 3.960 0.041 0.000 0.251 384 G C -0.973 173.877 174.900 -0.085 0.000 0.978 384 G CA -0.897 44.167 45.100 -0.061 0.000 1.270 384 G HN 0.162 nan 8.290 nan 0.000 0.601 385 Q N -2.056 117.683 119.800 -0.102 0.000 3.089 385 Q HA 0.067 4.432 4.340 0.041 0.000 0.031 385 Q C 1.386 177.298 176.000 -0.147 0.000 1.668 385 Q CA 2.769 58.512 55.803 -0.101 0.000 0.230 385 Q CB -1.169 27.543 28.738 -0.042 0.000 1.854 385 Q HN 2.599 nan 8.270 nan 0.000 0.320 386 G N -0.671 108.078 108.800 -0.086 0.000 3.532 386 G HA2 0.051 4.036 3.960 0.041 0.000 0.196 386 G HA3 0.051 4.036 3.960 0.041 0.000 0.196 386 G C -0.646 174.353 174.900 0.165 0.000 2.074 386 G CA 0.430 45.567 45.100 0.061 0.000 1.323 386 G HN 1.234 nan 8.290 nan 0.000 0.439 387 F N -0.572 119.393 119.950 0.026 0.000 2.741 387 F HA 0.808 5.359 4.527 0.041 0.000 0.313 387 F C -0.763 175.067 175.800 0.050 0.000 1.153 387 F CA -1.555 56.468 58.000 0.038 0.000 0.931 387 F CB 1.032 40.057 39.000 0.041 0.000 1.335 387 F HN 0.277 nan 8.300 nan 0.000 0.460 388 L N 2.187 123.555 121.223 0.241 0.000 2.319 388 L HA 0.676 5.041 4.340 0.041 0.000 0.280 388 L C -0.308 176.685 176.870 0.206 0.000 1.099 388 L CA -0.576 54.344 54.840 0.134 0.000 0.828 388 L CB 1.106 43.248 42.059 0.139 0.000 1.150 388 L HN 0.928 nan 8.230 nan 0.000 0.442 389 A N 6.803 129.664 122.820 0.069 0.000 2.332 389 A HA 0.720 5.065 4.320 0.041 0.000 0.300 389 A C -1.069 176.564 177.584 0.080 0.000 1.153 389 A CA -0.524 51.583 52.037 0.117 0.000 0.764 389 A CB 0.969 19.992 19.000 0.040 0.000 1.174 389 A HN 0.538 nan 8.150 nan 0.000 0.467 390 L N 2.865 124.153 121.223 0.108 0.000 2.401 390 L HA 0.587 4.952 4.340 0.041 0.000 0.266 390 L C -0.729 176.198 176.870 0.095 0.000 0.991 390 L CA -0.827 54.065 54.840 0.086 0.000 0.818 390 L CB 1.951 44.063 42.059 0.089 0.000 1.321 390 L HN 0.423 nan 8.230 nan 0.000 0.413 391 V N 1.344 121.308 119.914 0.084 0.000 2.435 391 V HA 0.458 4.603 4.120 0.041 0.000 0.290 391 V C -0.748 175.409 176.094 0.104 0.000 1.030 391 V CA -0.429 61.929 62.300 0.097 0.000 0.881 391 V CB 2.126 34.002 31.823 0.089 0.000 0.983 391 V HN 0.736 nan 8.190 nan 0.000 0.445 392 D N 1.012 121.486 120.400 0.124 0.000 2.671 392 D HA 0.346 5.011 4.640 0.041 0.000 0.232 392 D C 0.018 176.439 176.300 0.202 0.000 1.114 392 D CA -0.530 53.560 54.000 0.150 0.000 0.858 392 D CB 1.660 42.536 40.800 0.127 0.000 1.544 392 D HN 0.436 nan 8.370 nan 0.000 0.471 393 Y N 2.693 123.040 120.300 0.078 0.000 2.439 393 Y HA 0.256 4.830 4.550 0.040 0.000 0.292 393 Y C 0.747 176.709 175.900 0.102 0.000 1.130 393 Y CA 0.602 58.747 58.100 0.074 0.000 1.254 393 Y CB -0.469 38.056 38.460 0.109 0.000 1.000 393 Y HN 0.463 nan 8.280 nan 0.000 0.554 394 A N 2.979 125.855 122.820 0.093 0.000 2.512 394 A HA 0.042 4.386 4.320 0.041 0.000 0.278 394 A C -0.063 177.521 177.584 0.000 0.000 1.128 394 A CA 0.323 52.371 52.037 0.017 0.000 0.818 394 A CB -1.323 17.668 19.000 -0.016 0.000 1.044 394 A HN 0.590 nan 8.150 nan 0.000 0.526 395 H N 0.818 119.716 119.070 -0.287 0.000 2.630 395 H HA 0.790 5.366 4.556 0.033 0.000 0.343 395 H C -0.295 174.908 175.328 -0.208 0.000 1.232 395 H CA -1.312 54.599 56.048 -0.228 0.000 1.294 395 H CB 0.349 29.964 29.762 -0.244 0.000 1.746 395 H HN 0.632 nan 8.280 nan 0.000 0.593 396 K N -1.045 119.171 120.400 -0.308 0.000 6.750 396 K HA -0.124 4.221 4.320 0.041 0.000 0.600 396 K C -2.526 173.937 176.600 -0.228 0.000 2.563 396 K CA 0.298 56.392 56.287 -0.321 0.000 2.004 396 K CB -0.895 31.324 32.500 -0.468 0.000 2.501 396 K HN 0.413 nan 8.250 nan 0.000 0.183 397 P HA -0.285 nan 4.420 nan 0.000 0.214 397 P C 1.458 178.676 177.300 -0.138 0.000 1.163 397 P CA 2.375 65.390 63.100 -0.142 0.000 0.889 397 P CB 0.113 31.752 31.700 -0.102 0.000 0.790 398 E N -0.154 119.967 120.200 -0.132 0.000 2.051 398 E HA -0.179 4.196 4.350 0.041 0.000 0.192 398 E C 2.181 178.701 176.600 -0.133 0.000 0.991 398 E CA 1.765 58.096 56.400 -0.115 0.000 0.799 398 E CB -1.719 27.922 29.700 -0.098 0.000 0.748 398 E HN 0.260 nan 8.360 nan 0.000 0.449 399 A N 0.069 122.794 122.820 -0.158 0.000 1.908 399 A HA 0.061 4.406 4.320 0.041 0.000 0.218 399 A C 2.486 179.986 177.584 -0.139 0.000 1.181 399 A CA 1.773 53.717 52.037 -0.155 0.000 0.627 399 A CB -0.515 18.393 19.000 -0.153 0.000 0.818 399 A HN 0.533 nan 8.150 nan 0.000 0.445 400 L N -0.450 120.677 121.223 -0.160 0.000 2.046 400 L HA -0.119 4.246 4.340 0.041 0.000 0.208 400 L C 2.493 179.285 176.870 -0.130 0.000 1.077 400 L CA 2.316 57.052 54.840 -0.173 0.000 0.747 400 L CB -0.484 41.411 42.059 -0.274 0.000 0.896 400 L HN 0.462 nan 8.230 nan 0.000 0.432 401 R N -0.861 119.569 120.500 -0.117 0.000 2.081 401 R HA -0.161 4.204 4.340 0.041 0.000 0.235 401 R C 2.468 178.733 176.300 -0.059 0.000 1.131 401 R CA 1.733 57.785 56.100 -0.081 0.000 0.960 401 R CB -0.266 29.991 30.300 -0.072 0.000 0.856 401 R HN 0.649 nan 8.270 nan 0.000 0.436 402 S N -0.786 114.868 115.700 -0.077 0.000 2.371 402 S HA -0.058 4.437 4.470 0.041 0.000 0.224 402 S C 2.051 176.647 174.600 -0.007 0.000 1.029 402 S CA 1.024 59.186 58.200 -0.063 0.000 0.978 402 S CB -0.461 62.650 63.200 -0.149 0.000 0.833 402 S HN 0.124 nan 8.310 nan 0.000 0.466 403 V N 2.148 122.052 119.914 -0.017 0.000 2.255 403 V HA -0.150 3.995 4.120 0.041 0.000 0.247 403 V C 2.635 178.764 176.094 0.058 0.000 1.051 403 V CA 1.647 63.981 62.300 0.057 0.000 1.018 403 V CB -0.908 30.935 31.823 0.033 0.000 0.641 403 V HN 0.352 nan 8.190 nan 0.000 0.445 404 L N 0.721 121.953 121.223 0.015 0.000 1.989 404 L HA -0.178 4.187 4.340 0.041 0.000 0.211 404 L C 2.901 179.796 176.870 0.041 0.000 1.071 404 L CA 2.896 57.748 54.840 0.021 0.000 0.749 404 L CB -1.978 40.073 42.059 -0.013 0.000 0.890 404 L HN 0.657 nan 8.230 nan 0.000 0.431 405 T N -3.019 111.553 114.554 0.031 0.000 2.665 405 T HA -0.234 4.140 4.350 0.041 0.000 0.268 405 T C 1.564 176.303 174.700 0.065 0.000 1.035 405 T CA 1.904 64.029 62.100 0.041 0.000 1.151 405 T CB -1.338 67.547 68.868 0.028 0.000 0.862 405 T HN 0.478 nan 8.240 nan 0.000 0.438 406 T N -0.316 114.289 114.554 0.085 0.000 3.227 406 T HA 0.287 4.662 4.350 0.041 0.000 0.257 406 T C 1.502 176.257 174.700 0.093 0.000 1.162 406 T CA 0.225 62.385 62.100 0.100 0.000 1.051 406 T CB -0.495 68.463 68.868 0.150 0.000 0.953 406 T HN 0.414 nan 8.240 nan 0.000 0.535 407 L N -0.383 120.895 121.223 0.092 0.000 2.749 407 L HA 0.497 4.862 4.340 0.041 0.000 0.242 407 L C 1.370 178.307 176.870 0.112 0.000 1.103 407 L CA -0.341 54.559 54.840 0.099 0.000 0.906 407 L CB 0.017 42.135 42.059 0.098 0.000 1.228 407 L HN 0.263 nan 8.230 nan 0.000 0.517 408 A N 0.124 123.005 122.820 0.102 0.000 2.362 408 A HA 0.360 4.705 4.320 0.041 0.000 0.276 408 A C -0.839 176.838 177.584 0.155 0.000 1.153 408 A CA 0.146 52.247 52.037 0.106 0.000 0.813 408 A CB -0.271 18.774 19.000 0.074 0.000 1.081 408 A HN 0.384 nan 8.150 nan 0.000 0.507 409 H N 3.532 122.634 119.070 0.054 0.000 2.589 409 H HA 0.571 5.151 4.556 0.041 0.000 0.351 409 H C -2.864 172.490 175.328 0.043 0.000 1.074 409 H CA -2.416 53.659 56.048 0.045 0.000 1.203 409 H CB 1.777 31.566 29.762 0.045 0.000 1.558 409 H HN 0.345 nan 8.280 nan 0.000 0.522 410 P HA 0.111 nan 4.420 nan 0.000 0.257 410 P C -0.494 176.503 177.300 -0.505 0.000 1.227 410 P CA 0.826 63.796 63.100 -0.216 0.000 0.981 410 P CB -0.025 31.660 31.700 -0.026 0.000 1.044 411 D N 1.414 121.566 120.400 -0.413 0.000 4.738 411 D HA -0.096 4.569 4.640 0.041 0.000 0.329 411 D C 0.753 176.900 176.300 -0.254 0.000 1.340 411 D CA -0.202 53.566 54.000 -0.387 0.000 1.087 411 D CB -0.092 40.343 40.800 -0.608 0.000 1.559 411 D HN 0.418 nan 8.370 nan 0.000 0.608 412 R N 0.142 120.570 120.500 -0.119 0.000 2.064 412 R HA -0.290 4.075 4.340 0.041 0.000 0.083 412 R C -0.748 175.546 176.300 -0.010 0.000 0.934 412 R CA 2.395 58.482 56.100 -0.022 0.000 1.811 412 R CB -0.819 29.509 30.300 0.048 0.000 0.414 412 R HN 0.882 nan 8.270 nan 0.000 0.707 413 R N -0.844 119.684 120.500 0.046 0.000 7.156 413 R HA 0.125 4.490 4.340 0.041 0.000 0.315 413 R C -1.721 174.740 176.300 0.269 0.000 0.878 413 R CA 0.537 56.735 56.100 0.163 0.000 1.778 413 R CB -0.569 29.811 30.300 0.134 0.000 1.798 413 R HN 0.347 nan 8.270 nan 0.000 0.918 414 L N 2.822 124.206 121.223 0.268 0.000 2.349 414 L HA 0.858 5.222 4.340 0.041 0.000 0.278 414 L C -0.641 176.288 176.870 0.099 0.000 0.996 414 L CA -0.441 54.515 54.840 0.195 0.000 0.825 414 L CB 1.661 43.791 42.059 0.119 0.000 1.243 414 L HN 0.803 nan 8.230 nan 0.000 0.412 415 A N 4.430 127.259 122.820 0.016 0.000 2.337 415 A HA 0.755 5.100 4.320 0.041 0.000 0.329 415 A C -1.357 176.179 177.584 -0.080 0.000 1.146 415 A CA -0.527 51.353 52.037 -0.262 0.000 0.800 415 A CB 1.997 20.582 19.000 -0.692 0.000 1.220 415 A HN 0.564 nan 8.150 nan 0.000 0.472 416 V N 3.186 123.059 119.914 -0.068 0.000 2.569 416 V HA 0.637 4.782 4.120 0.041 0.000 0.301 416 V C -1.287 174.870 176.094 0.104 0.000 1.044 416 V CA -0.425 61.905 62.300 0.050 0.000 0.874 416 V CB 1.700 33.570 31.823 0.078 0.000 1.002 416 V HN 0.798 nan 8.190 nan 0.000 0.424 417 V N 8.521 128.506 119.914 0.118 0.000 2.398 417 V HA 0.769 4.914 4.120 0.041 0.000 0.286 417 V C -0.119 176.104 176.094 0.216 0.000 1.026 417 V CA -0.185 62.172 62.300 0.095 0.000 0.868 417 V CB 0.766 32.624 31.823 0.059 0.000 0.982 417 V HN 1.072 nan 8.190 nan 0.000 0.443 418 F N 2.036 121.962 119.950 -0.040 0.000 2.831 418 F HA 1.014 5.566 4.527 0.042 0.000 0.318 418 F C -0.076 175.692 175.800 -0.054 0.000 1.174 418 F CA -0.280 57.697 58.000 -0.039 0.000 0.918 418 F CB 1.490 40.473 39.000 -0.028 0.000 1.364 418 F HN 0.814 nan 8.300 nan 0.000 0.475 419 G N -0.283 108.507 108.800 -0.016 0.000 2.554 419 G HA2 0.787 4.772 3.960 0.041 0.000 0.306 419 G HA3 0.787 4.772 3.960 0.041 0.000 0.306 419 G C -2.299 172.651 174.900 0.083 0.000 1.320 419 G CA -0.409 44.612 45.100 -0.131 0.000 0.800 419 G HN 1.386 nan 8.290 nan 0.000 0.481 420 A N -1.468 121.362 122.820 0.018 0.000 2.387 420 A HA 0.942 5.287 4.320 0.041 0.000 0.303 420 A C 0.269 177.852 177.584 -0.002 0.000 1.145 420 A CA -0.027 52.035 52.037 0.042 0.000 0.801 420 A CB 1.430 20.461 19.000 0.051 0.000 1.342 420 A HN 1.938 nan 8.150 nan 0.000 0.440 421 G N -0.424 108.378 108.800 0.004 0.000 2.356 421 G HA2 0.509 4.494 3.960 0.041 0.000 0.298 421 G HA3 0.509 4.494 3.960 0.041 0.000 0.298 421 G C 0.317 175.210 174.900 -0.011 0.000 1.145 421 G CA 0.211 45.304 45.100 -0.011 0.000 0.850 421 G HN 1.127 nan 8.290 nan 0.000 0.487 422 G N 0.865 109.654 108.800 -0.020 0.000 2.432 422 G HA2 0.429 4.414 3.960 0.041 0.000 0.257 422 G HA3 0.429 4.414 3.960 0.041 0.000 0.257 422 G C 0.039 174.932 174.900 -0.010 0.000 1.238 422 G CA -0.057 45.033 45.100 -0.017 0.000 0.838 422 G HN 0.687 nan 8.290 nan 0.000 0.547 423 D N -0.513 119.883 120.400 -0.007 0.000 3.017 423 D HA -0.110 4.555 4.640 0.041 0.000 0.220 423 D C 0.426 176.728 176.300 0.002 0.000 1.141 423 D CA 0.887 54.886 54.000 -0.002 0.000 0.848 423 D CB -0.608 40.191 40.800 -0.002 0.000 1.102 423 D HN 0.383 nan 8.370 nan 0.000 0.427 424 R N 0.335 120.837 120.500 0.003 0.000 2.807 424 R HA 0.395 4.759 4.340 0.041 0.000 0.276 424 R C -0.468 175.835 176.300 0.004 0.000 0.979 424 R CA -0.896 55.208 56.100 0.007 0.000 0.928 424 R CB 0.892 31.199 30.300 0.012 0.000 1.191 424 R HN -0.034 nan 8.270 nan 0.000 0.471 425 D N 2.288 122.691 120.400 0.004 0.000 2.570 425 D HA -0.016 4.649 4.640 0.041 0.000 0.243 425 D C -1.257 175.041 176.300 -0.003 0.000 1.171 425 D CA -0.576 53.423 54.000 -0.000 0.000 0.879 425 D CB 0.854 41.652 40.800 -0.003 0.000 1.143 425 D HN 0.115 nan 8.370 nan 0.000 0.511 426 P HA 0.035 nan 4.420 nan 0.000 0.225 426 P C 1.470 178.768 177.300 -0.004 0.000 1.156 426 P CA 0.523 63.622 63.100 -0.002 0.000 0.787 426 P CB 0.164 31.862 31.700 -0.004 0.000 0.802 427 G N 1.383 110.179 108.800 -0.007 0.000 2.517 427 G HA2 -0.326 3.659 3.960 0.041 0.000 0.222 427 G HA3 -0.326 3.659 3.960 0.041 0.000 0.222 427 G C 1.522 176.414 174.900 -0.014 0.000 1.109 427 G CA 1.024 46.117 45.100 -0.011 0.000 0.746 427 G HN 0.385 nan 8.290 nan 0.000 0.576 428 K N 0.495 120.885 120.400 -0.017 0.000 2.155 428 K HA 0.001 4.346 4.320 0.041 0.000 0.203 428 K C 2.516 179.115 176.600 -0.001 0.000 1.052 428 K CA 0.572 56.844 56.287 -0.025 0.000 0.948 428 K CB -0.221 32.256 32.500 -0.039 0.000 0.728 428 K HN 0.261 nan 8.250 nan 0.000 0.448 429 R N 0.730 121.239 120.500 0.016 0.000 2.070 429 R HA -0.082 4.283 4.340 0.041 0.000 0.233 429 R C 2.583 178.911 176.300 0.047 0.000 1.137 429 R CA 1.504 57.630 56.100 0.044 0.000 0.945 429 R CB -0.652 29.665 30.300 0.027 0.000 0.845 429 R HN 0.283 nan 8.270 nan 0.000 0.430 430 A N 2.096 124.929 122.820 0.021 0.000 1.859 430 A HA -0.153 4.191 4.320 0.041 0.000 0.218 430 A C -0.336 177.261 177.584 0.022 0.000 1.209 430 A CA 1.789 53.836 52.037 0.017 0.000 0.639 430 A CB -1.694 17.308 19.000 0.004 0.000 0.835 430 A HN 0.262 nan 8.150 nan 0.000 0.450 431 P HA -0.058 nan 4.420 nan 0.000 0.225 431 P C 1.634 178.932 177.300 -0.003 0.000 1.156 431 P CA 1.289 64.388 63.100 -0.002 0.000 0.787 431 P CB -0.158 31.532 31.700 -0.018 0.000 0.802 432 M N 0.193 119.796 119.600 0.004 0.000 2.108 432 M HA -0.074 4.431 4.480 0.041 0.000 0.261 432 M C 2.104 178.432 176.300 0.046 0.000 1.066 432 M CA 2.446 57.731 55.300 -0.025 0.000 1.107 432 M CB -0.964 31.638 32.600 0.004 0.000 1.356 432 M HN -0.064 nan 8.290 nan 0.000 0.406 433 G N -0.780 108.132 108.800 0.187 0.000 2.408 433 G HA2 -0.215 3.770 3.960 0.041 0.000 0.217 433 G HA3 -0.215 3.770 3.960 0.041 0.000 0.217 433 G C 1.589 176.553 174.900 0.105 0.000 1.150 433 G CA 1.196 46.439 45.100 0.240 0.000 0.776 433 G HN 0.546 nan 8.290 nan 0.000 0.542 434 R N 0.642 121.173 120.500 0.051 0.000 2.083 434 R HA 0.047 4.412 4.340 0.041 0.000 0.237 434 R C 2.432 178.737 176.300 0.008 0.000 1.137 434 R CA 1.711 57.825 56.100 0.022 0.000 0.951 434 R CB -1.105 29.200 30.300 0.009 0.000 0.851 434 R HN 0.416 nan 8.270 nan 0.000 0.434 435 I N 0.991 121.553 120.570 -0.013 0.000 2.163 435 I HA -0.245 3.949 4.170 0.041 0.000 0.243 435 I C 3.054 179.152 176.117 -0.032 0.000 1.085 435 I CA 1.780 63.057 61.300 -0.039 0.000 1.347 435 I CB -0.318 37.633 38.000 -0.082 0.000 1.044 435 I HN 0.475 nan 8.210 nan 0.000 0.408 436 A N 0.204 123.010 122.820 -0.022 0.000 1.933 436 A HA -0.145 4.200 4.320 0.041 0.000 0.218 436 A C 2.500 180.108 177.584 0.040 0.000 1.175 436 A CA 1.847 53.895 52.037 0.018 0.000 0.628 436 A CB -0.963 18.130 19.000 0.155 0.000 0.814 436 A HN 0.432 nan 8.150 nan 0.000 0.444 437 A N 0.320 123.164 122.820 0.041 0.000 1.873 437 A HA -0.190 4.155 4.320 0.041 0.000 0.215 437 A C 2.217 179.812 177.584 0.019 0.000 1.186 437 A CA 1.631 53.686 52.037 0.029 0.000 0.616 437 A CB -0.582 18.434 19.000 0.026 0.000 0.823 437 A HN 0.747 nan 8.150 nan 0.000 0.442 438 Q N -1.382 118.426 119.800 0.013 0.000 2.230 438 Q HA -0.021 4.344 4.340 0.041 0.000 0.202 438 Q C 1.447 177.455 176.000 0.013 0.000 0.963 438 Q CA 1.077 56.887 55.803 0.011 0.000 0.866 438 Q CB -0.227 28.514 28.738 0.006 0.000 0.931 438 Q HN 0.451 nan 8.270 nan 0.000 0.452 439 L N 0.320 121.550 121.223 0.011 0.000 2.388 439 L HA 0.365 4.730 4.340 0.041 0.000 0.209 439 L C 1.177 178.062 176.870 0.025 0.000 1.061 439 L CA 0.557 55.406 54.840 0.015 0.000 0.834 439 L CB -0.656 41.405 42.059 0.004 0.000 1.029 439 L HN 0.192 nan 8.230 nan 0.000 0.473 440 A N -0.663 122.170 122.820 0.022 0.000 2.280 440 A HA 0.290 4.635 4.320 0.041 0.000 0.268 440 A C 0.715 178.319 177.584 0.033 0.000 1.111 440 A CA -0.032 52.020 52.037 0.025 0.000 0.814 440 A CB 0.234 19.240 19.000 0.011 0.000 1.093 440 A HN 0.280 nan 8.150 nan 0.000 0.498 441 D N -1.463 118.962 120.400 0.041 0.000 2.470 441 D HA 0.137 4.802 4.640 0.041 0.000 0.238 441 D C -0.451 175.861 176.300 0.019 0.000 1.054 441 D CA 0.518 54.566 54.000 0.080 0.000 0.896 441 D CB 0.415 41.329 40.800 0.191 0.000 1.118 441 D HN 0.255 nan 8.370 nan 0.000 0.497 442 L N 1.742 122.876 121.223 -0.148 0.000 2.349 442 L HA 0.437 4.802 4.340 0.041 0.000 0.278 442 L C -1.203 175.520 176.870 -0.244 0.000 0.996 442 L CA -1.011 53.624 54.840 -0.341 0.000 0.825 442 L CB 1.886 43.323 42.059 -1.035 0.000 1.243 442 L HN -0.230 nan 8.230 nan 0.000 0.412 443 V N 6.493 126.322 119.914 -0.143 0.000 2.448 443 V HA 0.747 4.892 4.120 0.041 0.000 0.295 443 V C -1.335 174.685 176.094 -0.123 0.000 1.025 443 V CA -0.315 61.944 62.300 -0.069 0.000 0.859 443 V CB 1.959 33.808 31.823 0.043 0.000 0.988 443 V HN 0.536 nan 8.190 nan 0.000 0.431 444 V N 7.120 126.955 119.914 -0.132 0.000 2.378 444 V HA 0.451 4.596 4.120 0.041 0.000 0.288 444 V C -0.047 175.890 176.094 -0.263 0.000 1.016 444 V CA -0.551 61.637 62.300 -0.188 0.000 0.840 444 V CB 1.642 33.374 31.823 -0.153 0.000 0.994 444 V HN 0.762 nan 8.190 nan 0.000 0.431 445 V N 5.477 125.202 119.914 -0.315 0.000 2.432 445 V HA 0.615 4.760 4.120 0.041 0.000 0.275 445 V C 0.628 176.546 176.094 -0.293 0.000 1.043 445 V CA 0.028 62.069 62.300 -0.431 0.000 0.925 445 V CB 1.280 32.857 31.823 -0.411 0.000 0.985 445 V HN 1.067 nan 8.190 nan 0.000 0.466 446 T N 1.171 115.555 114.554 -0.283 0.000 2.573 446 T HA 0.479 4.854 4.350 0.041 0.000 0.259 446 T C -1.215 173.377 174.700 -0.181 0.000 0.886 446 T CA -0.891 61.092 62.100 -0.194 0.000 1.110 446 T CB 1.223 69.997 68.868 -0.156 0.000 1.421 446 T HN 0.455 nan 8.240 nan 0.000 0.523 447 D N 1.733 122.034 120.400 -0.165 0.000 2.349 447 D HA 0.548 5.213 4.640 0.041 0.000 0.232 447 D C -1.180 175.015 176.300 -0.176 0.000 1.071 447 D CA -0.157 53.751 54.000 -0.153 0.000 0.832 447 D CB 1.502 42.220 40.800 -0.137 0.000 1.086 447 D HN 0.436 nan 8.370 nan 0.000 0.504 448 D N 0.998 121.320 120.400 -0.129 0.000 2.163 448 D HA 0.095 4.760 4.640 0.041 0.000 0.248 448 D C 0.032 176.275 176.300 -0.094 0.000 1.035 448 D CA -0.537 53.393 54.000 -0.117 0.000 0.872 448 D CB 0.763 41.527 40.800 -0.061 0.000 1.183 448 D HN 0.085 nan 8.370 nan 0.000 0.445 449 N N 4.445 123.089 118.700 -0.094 0.000 3.044 449 N HA -0.168 4.597 4.740 0.041 0.000 0.308 449 N C -1.932 173.547 175.510 -0.051 0.000 1.097 449 N CA -0.026 52.984 53.050 -0.066 0.000 0.828 449 N CB -0.185 38.273 38.487 -0.048 0.000 0.968 449 N HN 0.427 nan 8.380 nan 0.000 0.623 450 P HA -0.085 nan 4.420 nan 0.000 0.223 450 P C 0.669 177.951 177.300 -0.030 0.000 1.151 450 P CA 0.533 63.607 63.100 -0.044 0.000 0.787 450 P CB 0.342 32.012 31.700 -0.049 0.000 0.788 451 R N -0.846 119.638 120.500 -0.027 0.000 3.750 451 R HA -0.248 4.117 4.340 0.041 0.000 0.495 451 R C 1.263 177.553 176.300 -0.016 0.000 0.241 451 R CA 2.058 58.147 56.100 -0.019 0.000 1.551 451 R CB -2.389 27.903 30.300 -0.014 0.000 0.956 451 R HN 0.067 nan 8.270 nan 0.000 0.584 452 D N 0.481 120.874 120.400 -0.012 0.000 2.219 452 D HA 0.004 4.668 4.640 0.041 0.000 0.205 452 D C 0.296 176.588 176.300 -0.013 0.000 0.970 452 D CA 1.032 55.026 54.000 -0.010 0.000 0.851 452 D CB -0.047 40.749 40.800 -0.006 0.000 0.943 452 D HN 0.321 nan 8.370 nan 0.000 0.488 453 E N 0.722 120.913 120.200 -0.015 0.000 2.373 453 E HA 0.026 4.401 4.350 0.041 0.000 0.267 453 E C -0.544 176.042 176.600 -0.022 0.000 1.032 453 E CA -0.455 55.935 56.400 -0.017 0.000 0.889 453 E CB 0.703 30.393 29.700 -0.018 0.000 0.984 453 E HN -0.060 nan 8.360 nan 0.000 0.425 454 D N 4.510 124.897 120.400 -0.022 0.000 2.371 454 D HA 0.038 4.703 4.640 0.041 0.000 0.256 454 D C -1.830 174.450 176.300 -0.033 0.000 1.193 454 D CA -1.412 52.573 54.000 -0.025 0.000 0.881 454 D CB 1.215 42.002 40.800 -0.022 0.000 1.143 454 D HN 0.186 nan 8.370 nan 0.000 0.473 455 P HA -0.143 nan 4.420 nan 0.000 0.215 455 P C 1.088 178.355 177.300 -0.055 0.000 1.153 455 P CA 1.240 64.309 63.100 -0.051 0.000 0.853 455 P CB 0.128 31.795 31.700 -0.055 0.000 0.788 456 T N -0.639 113.885 114.554 -0.049 0.000 2.821 456 T HA -0.089 4.286 4.350 0.041 0.000 0.267 456 T C 1.931 176.603 174.700 -0.048 0.000 1.046 456 T CA 1.439 63.509 62.100 -0.051 0.000 1.139 456 T CB -0.940 67.902 68.868 -0.043 0.000 0.871 456 T HN 0.054 nan 8.240 nan 0.000 0.454 457 A N 1.184 123.980 122.820 -0.039 0.000 1.940 457 A HA -0.058 4.287 4.320 0.041 0.000 0.219 457 A C 2.242 179.805 177.584 -0.036 0.000 1.176 457 A CA 1.288 53.305 52.037 -0.033 0.000 0.631 457 A CB -0.782 18.203 19.000 -0.026 0.000 0.814 457 A HN 0.522 nan 8.150 nan 0.000 0.446 458 I N -1.128 119.416 120.570 -0.042 0.000 2.163 458 I HA -0.233 3.962 4.170 0.041 0.000 0.240 458 I C 2.738 178.817 176.117 -0.063 0.000 1.081 458 I CA 1.422 62.695 61.300 -0.045 0.000 1.353 458 I CB -0.347 37.625 38.000 -0.047 0.000 1.054 458 I HN 0.218 nan 8.210 nan 0.000 0.407 459 R N 0.463 120.912 120.500 -0.084 0.000 2.105 459 R HA -0.198 4.167 4.340 0.041 0.000 0.239 459 R C 2.767 179.011 176.300 -0.094 0.000 1.135 459 R CA 1.767 57.798 56.100 -0.115 0.000 0.967 459 R CB -0.562 29.663 30.300 -0.125 0.000 0.861 459 R HN 0.384 nan 8.270 nan 0.000 0.442 460 R N 1.350 121.809 120.500 -0.068 0.000 2.083 460 R HA -0.194 4.171 4.340 0.041 0.000 0.237 460 R C 1.851 178.126 176.300 -0.042 0.000 1.137 460 R CA 2.017 58.086 56.100 -0.053 0.000 0.951 460 R CB -1.214 29.061 30.300 -0.041 0.000 0.851 460 R HN 0.459 nan 8.270 nan 0.000 0.434 461 E N -0.410 119.769 120.200 -0.035 0.000 2.106 461 E HA -0.042 4.332 4.350 0.041 0.000 0.192 461 E C 2.056 178.649 176.600 -0.012 0.000 0.984 461 E CA 1.047 57.435 56.400 -0.020 0.000 0.806 461 E CB -0.132 29.559 29.700 -0.014 0.000 0.750 461 E HN 0.641 nan 8.360 nan 0.000 0.458 462 I N 0.532 121.088 120.570 -0.023 0.000 2.252 462 I HA -0.283 3.912 4.170 0.041 0.000 0.245 462 I C 2.121 178.229 176.117 -0.015 0.000 1.102 462 I CA 0.849 62.147 61.300 -0.003 0.000 1.385 462 I CB -0.071 37.891 38.000 -0.063 0.000 1.064 462 I HN 0.139 nan 8.210 nan 0.000 0.414 463 L N 0.334 121.526 121.223 -0.053 0.000 2.083 463 L HA -0.206 4.159 4.340 0.041 0.000 0.209 463 L C 2.806 179.662 176.870 -0.023 0.000 1.083 463 L CA 1.277 56.088 54.840 -0.048 0.000 0.752 463 L CB -0.813 41.206 42.059 -0.065 0.000 0.899 463 L HN 0.238 nan 8.230 nan 0.000 0.433 464 A N 0.410 123.219 122.820 -0.019 0.000 1.986 464 A HA -0.204 4.141 4.320 0.041 0.000 0.220 464 A C 2.396 179.979 177.584 -0.001 0.000 1.171 464 A CA 1.994 54.025 52.037 -0.011 0.000 0.640 464 A CB -1.259 17.734 19.000 -0.010 0.000 0.811 464 A HN 0.477 nan 8.150 nan 0.000 0.451 465 G N -0.944 107.861 108.800 0.009 0.000 2.394 465 G HA2 0.098 4.083 3.960 0.041 0.000 0.215 465 G HA3 0.098 4.083 3.960 0.041 0.000 0.215 465 G C 1.682 176.595 174.900 0.022 0.000 1.165 465 G CA 1.115 46.227 45.100 0.020 0.000 0.784 465 G HN 0.829 nan 8.290 nan 0.000 0.535 466 A N 0.743 123.576 122.820 0.021 0.000 2.070 466 A HA 0.522 4.867 4.320 0.041 0.000 0.220 466 A C 1.838 179.425 177.584 0.005 0.000 1.159 466 A CA 1.241 53.289 52.037 0.017 0.000 0.656 466 A CB -0.583 18.421 19.000 0.006 0.000 0.800 466 A HN 0.849 nan 8.150 nan 0.000 0.453 467 A N -1.509 121.311 122.820 -0.000 0.000 2.475 467 A HA 0.403 4.748 4.320 0.041 0.000 0.239 467 A C 0.872 178.458 177.584 0.003 0.000 1.087 467 A CA 0.874 52.911 52.037 -0.001 0.000 0.779 467 A CB -0.053 18.944 19.000 -0.004 0.000 1.036 467 A HN 0.584 nan 8.150 nan 0.000 0.506 468 E N -2.596 117.606 120.200 0.002 0.000 4.209 468 E HA -0.194 4.181 4.350 0.041 0.000 0.398 468 E C 0.365 176.968 176.600 0.005 0.000 0.551 468 E CA 1.081 57.483 56.400 0.003 0.000 1.443 468 E CB -2.565 27.137 29.700 0.004 0.000 1.896 468 E HN 1.249 nan 8.360 nan 0.000 0.371 472 D N -0.321 120.091 120.400 0.020 0.000 2.488 472 D HA 0.380 5.045 4.640 0.041 0.000 0.123 472 D C 1.470 177.791 176.300 0.034 0.000 1.487 472 D CA 1.152 55.168 54.000 0.026 0.000 1.423 472 D CB -0.255 40.560 40.800 0.025 0.000 2.171 472 D HN 0.492 nan 8.370 nan 0.000 0.257 473 A N 0.314 123.152 122.820 0.030 0.000 2.250 473 A HA 0.614 4.959 4.320 0.041 0.000 0.283 473 A C -0.264 177.337 177.584 0.028 0.000 1.206 473 A CA -0.040 52.015 52.037 0.031 0.000 0.840 473 A CB 0.601 19.613 19.000 0.020 0.000 1.220 473 A HN 0.241 nan 8.150 nan 0.000 0.505 474 Q N 0.208 120.018 119.800 0.017 0.000 2.483 474 Q HA 0.462 4.827 4.340 0.041 0.000 0.245 474 Q C -2.071 173.912 176.000 -0.029 0.000 0.902 474 Q CA -0.337 55.473 55.803 0.012 0.000 0.767 474 Q CB 1.583 30.353 28.738 0.052 0.000 1.341 474 Q HN 0.772 nan 8.270 nan 0.000 0.453 475 V N 4.630 124.525 119.914 -0.032 0.000 2.427 475 V HA 0.735 4.880 4.120 0.041 0.000 0.286 475 V C -0.885 175.160 176.094 -0.083 0.000 1.034 475 V CA -0.101 62.163 62.300 -0.060 0.000 0.893 475 V CB 1.570 33.367 31.823 -0.043 0.000 0.982 475 V HN 0.535 nan 8.190 nan 0.000 0.452 476 V N 4.946 124.783 119.914 -0.128 0.000 3.001 476 V HA 0.631 4.776 4.120 0.041 0.000 0.314 476 V C -0.448 175.537 176.094 -0.182 0.000 1.099 476 V CA -0.814 61.388 62.300 -0.163 0.000 0.989 476 V CB 1.914 33.583 31.823 -0.256 0.000 1.040 476 V HN 0.947 nan 8.190 nan 0.000 0.434 477 E N 1.974 122.071 120.200 -0.172 0.000 2.185 477 E HA 0.614 4.989 4.350 0.041 0.000 0.261 477 E C -1.806 174.695 176.600 -0.165 0.000 0.879 477 E CA -0.525 55.775 56.400 -0.167 0.000 0.756 477 E CB 1.539 31.160 29.700 -0.132 0.000 1.152 477 E HN 0.704 nan 8.360 nan 0.000 0.416 478 I N 4.567 125.034 120.570 -0.171 0.000 2.448 478 I HA 0.264 4.459 4.170 0.041 0.000 0.281 478 I C 0.940 176.989 176.117 -0.113 0.000 1.027 478 I CA -0.380 60.837 61.300 -0.137 0.000 1.111 478 I CB 1.671 39.580 38.000 -0.151 0.000 1.236 478 I HN 0.683 nan 8.210 nan 0.000 0.452 479 A N 3.965 126.730 122.820 -0.092 0.000 1.865 479 A HA -0.197 4.148 4.320 0.041 0.000 0.217 479 A C 1.010 178.546 177.584 -0.081 0.000 1.191 479 A CA 1.302 53.286 52.037 -0.088 0.000 0.623 479 A CB -0.464 18.495 19.000 -0.069 0.000 0.826 479 A HN 0.758 nan 8.150 nan 0.000 0.444 480 D N -1.560 118.810 120.400 -0.051 0.000 2.412 480 D HA 0.226 4.890 4.640 0.041 0.000 0.257 480 D C 1.239 177.525 176.300 -0.022 0.000 1.217 480 D CA 0.067 54.052 54.000 -0.026 0.000 0.897 480 D CB 0.613 41.420 40.800 0.012 0.000 1.132 480 D HN 0.270 nan 8.370 nan 0.000 0.493 481 R N 3.189 123.647 120.500 -0.070 0.000 2.091 481 R HA -0.206 4.158 4.340 0.041 0.000 0.238 481 R C 1.978 178.368 176.300 0.151 0.000 1.136 481 R CA 1.597 57.635 56.100 -0.103 0.000 0.959 481 R CB 0.003 29.984 30.300 -0.532 0.000 0.856 481 R HN 0.400 nan 8.270 nan 0.000 0.437 482 R N 0.747 121.430 120.500 0.304 0.000 2.073 482 R HA -0.119 4.246 4.340 0.041 0.000 0.234 482 R C 1.328 177.729 176.300 0.168 0.000 1.134 482 R CA 2.379 58.668 56.100 0.316 0.000 0.952 482 R CB -0.649 29.809 30.300 0.263 0.000 0.850 482 R HN 0.286 nan 8.270 nan 0.000 0.433 483 D N 0.252 120.723 120.400 0.117 0.000 2.178 483 D HA -0.060 4.604 4.640 0.041 0.000 0.202 483 D C 1.712 178.073 176.300 0.102 0.000 0.974 483 D CA 1.504 55.560 54.000 0.094 0.000 0.841 483 D CB -0.348 40.490 40.800 0.063 0.000 0.953 483 D HN 0.430 nan 8.370 nan 0.000 0.478 484 A N 0.804 123.668 122.820 0.073 0.000 1.877 484 A HA -0.149 4.196 4.320 0.041 0.000 0.216 484 A C 2.342 179.990 177.584 0.108 0.000 1.186 484 A CA 0.964 53.031 52.037 0.049 0.000 0.620 484 A CB -0.729 18.266 19.000 -0.008 0.000 0.822 484 A HN 0.186 nan 8.150 nan 0.000 0.443 485 I N -0.890 119.758 120.570 0.130 0.000 2.179 485 I HA -0.267 3.928 4.170 0.041 0.000 0.242 485 I C 2.707 178.911 176.117 0.146 0.000 1.088 485 I CA 1.143 62.530 61.300 0.145 0.000 1.357 485 I CB -0.374 37.729 38.000 0.172 0.000 1.051 485 I HN 0.209 nan 8.210 nan 0.000 0.409 486 R N 0.042 120.625 120.500 0.139 0.000 2.103 486 R HA -0.254 4.111 4.340 0.041 0.000 0.242 486 R C 2.243 178.624 176.300 0.135 0.000 1.142 486 R CA 1.899 58.073 56.100 0.124 0.000 0.960 486 R CB -1.288 29.076 30.300 0.107 0.000 0.858 486 R HN 0.513 nan 8.270 nan 0.000 0.439 487 H N 0.490 119.596 119.070 0.061 0.000 2.293 487 H HA -0.042 4.539 4.556 0.041 0.000 0.300 487 H C 1.877 177.252 175.328 0.079 0.000 1.082 487 H CA 2.237 58.318 56.048 0.055 0.000 1.308 487 H CB -0.068 29.701 29.762 0.012 0.000 1.375 487 H HN 0.255 nan 8.280 nan 0.000 0.495 488 A N -0.112 122.807 122.820 0.165 0.000 1.930 488 A HA -0.098 4.246 4.320 0.041 0.000 0.217 488 A C 2.663 180.357 177.584 0.183 0.000 1.175 488 A CA 1.488 53.582 52.037 0.095 0.000 0.627 488 A CB -0.862 18.163 19.000 0.042 0.000 0.815 488 A HN 0.336 nan 8.150 nan 0.000 0.443 489 V N -0.055 119.961 119.914 0.169 0.000 2.233 489 V HA -0.279 3.866 4.120 0.041 0.000 0.247 489 V C 3.022 179.170 176.094 0.091 0.000 1.050 489 V CA 2.084 64.501 62.300 0.195 0.000 1.010 489 V CB -1.215 30.745 31.823 0.227 0.000 0.637 489 V HN 0.599 nan 8.190 nan 0.000 0.444 490 A N -1.493 121.366 122.820 0.064 0.000 2.125 490 A HA -0.258 4.087 4.320 0.041 0.000 0.219 490 A C 1.917 179.483 177.584 -0.030 0.000 1.156 490 A CA 1.597 53.637 52.037 0.004 0.000 0.671 490 A CB -0.879 18.113 19.000 -0.014 0.000 0.794 490 A HN 0.847 nan 8.150 nan 0.000 0.459 491 W N 0.473 121.636 121.300 -0.227 0.000 2.658 491 W HA 0.438 5.124 4.660 0.042 0.000 0.263 491 W C 1.083 177.457 176.519 -0.241 0.000 1.274 491 W CA 0.265 57.475 57.345 -0.225 0.000 1.343 491 W CB -0.074 29.260 29.460 -0.210 0.000 1.106 491 W HN 0.332 nan 8.180 nan 0.000 0.615 492 A N 1.918 124.570 122.820 -0.281 0.000 2.387 492 A HA 0.530 4.875 4.320 0.041 0.000 0.251 492 A C -0.185 176.966 177.584 -0.722 0.000 1.113 492 A CA 0.211 51.825 52.037 -0.705 0.000 0.794 492 A CB 0.197 18.411 19.000 -1.310 0.000 1.069 492 A HN 0.385 nan 8.150 nan 0.000 0.506 493 R N -0.363 119.767 120.500 -0.617 0.000 2.651 493 R HA 0.405 4.770 4.340 0.041 0.000 0.278 493 R C -3.051 173.154 176.300 -0.158 0.000 1.010 493 R CA -1.917 53.973 56.100 -0.350 0.000 0.896 493 R CB 1.628 31.730 30.300 -0.330 0.000 1.211 493 R HN 0.366 nan 8.270 nan 0.000 0.456 494 P HA -0.061 nan 4.420 nan 0.000 0.256 494 P C 0.563 177.908 177.300 0.074 0.000 1.173 494 P CA 1.461 64.621 63.100 0.100 0.000 0.768 494 P CB 0.384 32.126 31.700 0.069 0.000 0.758 495 G N 2.358 111.245 108.800 0.144 0.000 2.238 495 G HA2 -0.170 3.815 3.960 0.041 0.000 0.217 495 G HA3 -0.170 3.815 3.960 0.041 0.000 0.217 495 G C 0.080 175.055 174.900 0.126 0.000 0.996 495 G CA -0.398 44.773 45.100 0.118 0.000 0.632 495 G HN 0.458 nan 8.290 nan 0.000 0.503 496 D N -0.271 120.183 120.400 0.091 0.000 2.371 496 D HA 0.503 5.168 4.640 0.041 0.000 0.242 496 D C 0.312 176.752 176.300 0.232 0.000 1.218 496 D CA 0.479 54.526 54.000 0.078 0.000 0.945 496 D CB 2.005 42.730 40.800 -0.125 0.000 1.137 496 D HN 0.707 nan 8.370 nan 0.000 0.464 497 V N 0.739 120.808 119.914 0.257 0.000 2.525 497 V HA 0.425 4.569 4.120 0.041 0.000 0.299 497 V C -1.156 175.111 176.094 0.288 0.000 1.034 497 V CA -0.489 61.981 62.300 0.283 0.000 0.863 497 V CB 1.569 33.515 31.823 0.205 0.000 0.999 497 V HN 0.246 nan 8.190 nan 0.000 0.423 498 V N 7.609 127.712 119.914 0.315 0.000 2.483 498 V HA 0.574 4.719 4.120 0.041 0.000 0.295 498 V C -0.195 176.009 176.094 0.183 0.000 1.035 498 V CA -0.657 61.791 62.300 0.246 0.000 0.896 498 V CB 1.689 33.698 31.823 0.311 0.000 0.986 498 V HN 0.803 nan 8.190 nan 0.000 0.447 499 L N 5.700 127.001 121.223 0.131 0.000 2.404 499 L HA 0.555 4.920 4.340 0.041 0.000 0.272 499 L C -1.287 175.650 176.870 0.112 0.000 0.980 499 L CA -0.506 54.402 54.840 0.114 0.000 0.836 499 L CB 1.717 43.831 42.059 0.093 0.000 1.238 499 L HN 0.505 nan 8.230 nan 0.000 0.408 500 I N 4.465 125.106 120.570 0.119 0.000 2.306 500 I HA 0.462 4.657 4.170 0.041 0.000 0.288 500 I C 0.479 176.670 176.117 0.124 0.000 1.036 500 I CA -0.224 61.152 61.300 0.127 0.000 1.221 500 I CB 0.937 39.020 38.000 0.137 0.000 1.385 500 I HN 0.540 nan 8.210 nan 0.000 0.472 501 A N 3.849 126.748 122.820 0.131 0.000 2.330 501 A HA 0.844 5.189 4.320 0.041 0.000 0.329 501 A C 0.799 178.450 177.584 0.111 0.000 1.135 501 A CA 0.116 52.216 52.037 0.106 0.000 0.817 501 A CB 1.533 20.561 19.000 0.046 0.000 1.269 501 A HN 1.140 nan 8.150 nan 0.000 0.469 502 G N -0.136 108.705 108.800 0.070 0.000 2.179 502 G HA2 -0.183 3.802 3.960 0.041 0.000 0.220 502 G HA3 -0.183 3.802 3.960 0.041 0.000 0.220 502 G C 0.668 175.557 174.900 -0.018 0.000 0.990 502 G CA 0.692 45.806 45.100 0.023 0.000 0.646 502 G HN 0.725 nan 8.290 nan 0.000 0.517 503 K N -0.591 119.850 120.400 0.070 0.000 2.443 503 K HA 0.410 4.755 4.320 0.041 0.000 0.200 503 K C 2.051 178.772 176.600 0.202 0.000 1.278 503 K CA 0.771 57.110 56.287 0.087 0.000 0.925 503 K CB 0.737 33.274 32.500 0.061 0.000 1.225 503 K HN 1.063 nan 8.250 nan 0.000 0.514 504 G N 2.886 111.824 108.800 0.230 0.000 2.665 504 G HA2 -0.408 3.577 3.960 0.041 0.000 0.326 504 G HA3 -0.408 3.577 3.960 0.041 0.000 0.326 504 G C 0.710 175.673 174.900 0.105 0.000 1.231 504 G CA 1.139 46.368 45.100 0.215 0.000 0.992 504 G HN 0.585 nan 8.290 nan 0.000 0.549 505 H N 2.464 121.496 119.070 -0.063 0.000 2.544 505 H HA 0.278 4.864 4.556 0.049 0.000 0.269 505 H C 0.721 176.029 175.328 -0.033 0.000 0.970 505 H CA 1.029 57.034 56.048 -0.072 0.000 1.219 505 H CB -0.183 29.494 29.762 -0.142 0.000 1.421 505 H HN 0.647 nan 8.280 nan 0.000 0.555 506 E N 2.736 122.585 120.200 -0.585 0.000 2.290 506 E HA 0.136 4.511 4.350 0.041 0.000 0.277 506 E C 0.358 176.885 176.600 -0.121 0.000 1.035 506 E CA 0.089 56.232 56.400 -0.430 0.000 0.873 506 E CB 1.374 30.835 29.700 -0.398 0.000 1.029 506 E HN 0.492 nan 8.360 nan 0.000 0.419 507 T N -0.356 114.162 114.554 -0.059 0.000 2.888 507 T HA 0.665 5.040 4.350 0.041 0.000 0.283 507 T C 0.713 175.441 174.700 0.047 0.000 1.013 507 T CA -0.068 62.050 62.100 0.030 0.000 0.938 507 T CB 1.383 70.272 68.868 0.034 0.000 1.298 507 T HN 0.737 nan 8.240 nan 0.000 0.580 508 G N -0.121 108.741 108.800 0.103 0.000 2.846 508 G HA2 0.061 4.046 3.960 0.041 0.000 0.660 508 G HA3 0.061 4.046 3.960 0.041 0.000 0.660 508 G C -1.049 173.888 174.900 0.062 0.000 1.464 508 G CA -0.612 44.542 45.100 0.090 0.000 0.891 508 G HN 0.854 nan 8.290 nan 0.000 0.552 509 Q N 0.094 119.914 119.800 0.035 0.000 2.295 509 Q HA 0.340 4.704 4.340 0.041 0.000 0.259 509 Q C -0.213 175.774 176.000 -0.023 0.000 0.966 509 Q CA -0.735 55.044 55.803 -0.039 0.000 0.763 509 Q CB 1.914 30.599 28.738 -0.087 0.000 1.283 509 Q HN 0.607 nan 8.270 nan 0.000 0.445 510 R N 1.056 121.536 120.500 -0.033 0.000 2.229 510 R HA 0.730 5.095 4.340 0.041 0.000 0.328 510 R C -0.323 175.961 176.300 -0.027 0.000 1.009 510 R CA 0.046 56.133 56.100 -0.021 0.000 0.864 510 R CB 1.100 31.389 30.300 -0.018 0.000 1.085 510 R HN 0.783 nan 8.270 nan 0.000 0.453 514 R N -0.062 120.440 120.500 0.003 0.000 2.457 514 R HA 0.118 4.483 4.340 0.041 0.000 0.274 514 R C -0.510 175.793 176.300 0.006 0.000 0.935 514 R CA 0.484 56.588 56.100 0.006 0.000 1.115 514 R CB 0.123 30.427 30.300 0.008 0.000 0.860 514 R HN 0.183 nan 8.270 nan 0.000 0.426 515 V N 5.758 125.678 119.914 0.011 0.000 2.259 515 V HA 0.181 4.326 4.120 0.041 0.000 0.267 515 V C 0.621 176.732 176.094 0.028 0.000 1.051 515 V CA -0.513 61.796 62.300 0.015 0.000 0.830 515 V CB 0.735 32.566 31.823 0.014 0.000 1.080 515 V HN 0.639 nan 8.190 nan 0.000 0.467 516 R N 4.413 124.935 120.500 0.036 0.000 2.585 516 R HA 0.173 4.537 4.340 0.041 0.000 0.275 516 R C -2.361 173.996 176.300 0.093 0.000 1.018 516 R CA -1.250 54.886 56.100 0.061 0.000 1.072 516 R CB 0.242 30.584 30.300 0.070 0.000 0.953 516 R HN 0.389 nan 8.270 nan 0.000 0.419 517 P HA 0.002 nan 4.420 nan 0.000 0.266 517 P C -1.086 176.322 177.300 0.179 0.000 1.195 517 P CA 0.468 63.621 63.100 0.088 0.000 0.768 517 P CB 0.359 32.080 31.700 0.036 0.000 0.838 518 F N 1.599 121.546 119.950 -0.005 0.000 2.651 518 F HA 0.234 4.784 4.527 0.039 0.000 0.327 518 F C -1.597 174.200 175.800 -0.005 0.000 1.133 518 F CA -0.569 57.430 58.000 -0.003 0.000 1.076 518 F CB 1.668 40.665 39.000 -0.004 0.000 1.315 518 F HN 0.141 nan 8.300 nan 0.000 0.499 519 D N 4.781 125.115 120.400 -0.110 0.000 2.473 519 D HA 0.204 4.869 4.640 0.041 0.000 0.253 519 D C 0.361 176.648 176.300 -0.021 0.000 1.233 519 D CA -0.210 53.796 54.000 0.010 0.000 0.908 519 D CB 1.487 42.267 40.800 -0.034 0.000 1.170 519 D HN 0.540 nan 8.370 nan 0.000 0.558 520 D N 2.331 122.849 120.400 0.197 0.000 2.220 520 D HA -0.174 4.491 4.640 0.041 0.000 0.198 520 D C 1.713 178.064 176.300 0.086 0.000 1.001 520 D CA 1.178 55.306 54.000 0.213 0.000 0.875 520 D CB 0.376 41.302 40.800 0.209 0.000 0.921 520 D HN 0.467 nan 8.370 nan 0.000 0.454 521 R N -0.565 119.961 120.500 0.043 0.000 2.100 521 R HA 0.035 4.400 4.340 0.041 0.000 0.220 521 R C 2.335 178.627 176.300 -0.014 0.000 1.091 521 R CA 0.356 56.469 56.100 0.022 0.000 0.986 521 R CB -0.014 30.298 30.300 0.021 0.000 0.888 521 R HN 0.070 nan 8.270 nan 0.000 0.444 522 V N 1.692 121.575 119.914 -0.053 0.000 2.255 522 V HA -0.139 4.006 4.120 0.041 0.000 0.243 522 V C 0.800 176.834 176.094 -0.100 0.000 1.038 522 V CA 1.360 63.612 62.300 -0.079 0.000 1.008 522 V CB -0.357 31.405 31.823 -0.102 0.000 0.645 522 V HN 0.306 nan 8.190 nan 0.000 0.449 523 E N 0.479 120.573 120.200 -0.177 0.000 2.373 523 E HA 0.281 4.656 4.350 0.041 0.000 0.267 523 E C 0.456 177.034 176.600 -0.037 0.000 1.032 523 E CA 0.226 56.539 56.400 -0.145 0.000 0.889 523 E CB 1.649 31.187 29.700 -0.271 0.000 0.984 523 E HN 0.217 nan 8.360 nan 0.000 0.425 524 L N 1.274 122.504 121.223 0.012 0.000 2.051 524 L HA -0.307 4.058 4.340 0.041 0.000 0.491 524 L C 1.506 178.394 176.870 0.029 0.000 0.713 524 L CA 2.353 57.224 54.840 0.051 0.000 3.279 524 L CB -1.755 40.346 42.059 0.069 0.000 0.624 524 L HN 0.602 nan 8.230 nan 0.000 0.785 525 A N -0.167 122.655 122.820 0.003 0.000 1.898 525 A HA 0.285 4.629 4.320 0.041 0.000 0.216 525 A C 2.303 179.882 177.584 -0.009 0.000 1.181 525 A CA 3.314 55.346 52.037 -0.009 0.000 0.620 525 A CB -0.966 18.023 19.000 -0.018 0.000 0.819 525 A HN 1.232 nan 8.150 nan 0.000 0.442 526 A N -0.059 122.752 122.820 -0.016 0.000 1.877 526 A HA 0.152 4.497 4.320 0.041 0.000 0.216 526 A C 2.524 180.114 177.584 0.009 0.000 1.186 526 A CA 2.163 54.193 52.037 -0.013 0.000 0.620 526 A CB -1.088 17.892 19.000 -0.033 0.000 0.822 526 A HN 1.070 nan 8.150 nan 0.000 0.443 527 A N -0.269 122.567 122.820 0.025 0.000 1.908 527 A HA -0.077 4.268 4.320 0.041 0.000 0.218 527 A C 2.196 179.820 177.584 0.068 0.000 1.181 527 A CA 1.589 53.659 52.037 0.055 0.000 0.627 527 A CB -0.645 18.405 19.000 0.083 0.000 0.818 527 A HN 0.479 nan 8.150 nan 0.000 0.445 528 L N -0.921 120.338 121.223 0.060 0.000 2.017 528 L HA -0.226 4.139 4.340 0.041 0.000 0.208 528 L C 2.609 179.495 176.870 0.026 0.000 1.073 528 L CA 1.778 56.646 54.840 0.047 0.000 0.745 528 L CB -0.674 41.381 42.059 -0.006 0.000 0.894 528 L HN 0.455 nan 8.230 nan 0.000 0.432 529 E N 0.297 120.503 120.200 0.011 0.000 2.065 529 E HA -0.200 4.175 4.350 0.041 0.000 0.201 529 E C 1.056 177.665 176.600 0.015 0.000 1.016 529 E CA 1.194 57.598 56.400 0.006 0.000 0.818 529 E CB -0.190 29.509 29.700 -0.002 0.000 0.749 529 E HN 0.456 nan 8.360 nan 0.000 0.453 530 A N 0.988 123.821 122.820 0.022 0.000 2.915 530 A HA 0.341 4.686 4.320 0.041 0.000 0.292 530 A C -0.506 177.102 177.584 0.040 0.000 1.632 530 A CA 0.147 52.200 52.037 0.027 0.000 1.337 530 A CB -0.223 18.792 19.000 0.025 0.000 1.111 530 A HN 0.151 nan 8.150 nan 0.000 0.569 531 L N 1.987 123.234 121.223 0.039 0.000 2.513 531 L HA 0.389 4.754 4.340 0.041 0.000 0.256 531 L C -1.152 175.741 176.870 0.039 0.000 1.163 531 L CA 0.614 55.484 54.840 0.050 0.000 0.895 531 L CB 0.372 42.480 42.059 0.082 0.000 1.076 531 L HN 0.713 nan 8.230 nan 0.000 0.491 532 E N -0.849 119.368 120.200 0.029 0.000 6.056 532 E HA 0.083 4.457 4.350 0.041 0.000 0.553 532 E C -0.150 176.459 176.600 0.015 0.000 1.384 532 E CA 0.301 56.714 56.400 0.021 0.000 3.047 532 E CB -0.060 29.654 29.700 0.023 0.000 0.782 532 E HN 0.444 nan 8.360 nan 0.000 0.262 533 R N 0.000 120.507 120.500 0.012 0.000 2.786 533 R HA 0.000 4.365 4.340 0.041 0.000 0.208 533 R CA 0.000 56.105 56.100 0.008 0.000 0.921 533 R CB 0.000 30.304 30.300 0.007 0.000 0.687 533 R HN 0.000 nan 8.270 nan 0.000 0.535