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 3mku_1_B DATA FIRST_RESID 2 DATA SEQUENCE ENSVHRYKKE ASNLIKLATP VLIASVAQTG MGFVDTIMAG GVSAIDMAAV DATA SEQUENCE SIAASIWLPS ILFGVGLLMA LVPVVAQLNG AGRQHKIPFE VHQGLILALL DATA SEQUENCE VSVPIIAVLF QTQFIIRFMD VEEAMATKTV GYMHAVIFAV PAYLLFQALR DATA SEQUENCE SFTDGMSLTK PAMVIGFIGL LLNIPLNWIF VYGKFGAPEL GGVGCGVATA DATA SEQUENCE IVYWIMLLLL LFYIVTSKRL AHVKVFETFH KPQPKELIRL FRLGFPVAAA DATA SEQUENCE LFFEVTLFAV VALLVAPLGS TVVAAHQVAL NFSSLVFMFP MSIGAAVSIR DATA SEQUENCE VGHKLGEQDT KGAAIAANVG LMTGLATACI TALLTVLFRE QIALLYTENQ DATA SEQUENCE VVVALAMQLL LFAAIYQCMD AVQVVAAGSL RGYKDMTAIF HRTFISYWVL DATA SEQUENCE GLPTGYILGM TNWLTEQPLG AKGFWLGFII GLSAAALMLG QRLYWLQKQS DATA SEQUENCE DDVQLHLAAK 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.494 176.600 -0.177 0.000 1.382 2 E CA 0.000 56.260 56.400 -0.234 0.000 0.976 2 E CB 0.000 29.620 29.700 -0.133 0.000 0.812 3 N N 0.433 119.050 118.700 -0.138 0.000 2.410 3 N HA 0.197 4.936 4.740 -0.001 0.000 0.287 3 N C 0.045 175.522 175.510 -0.055 0.000 1.044 3 N CA 0.595 53.599 53.050 -0.077 0.000 0.881 3 N CB 1.792 40.261 38.487 -0.029 0.000 1.405 3 N HN 0.094 nan 8.380 nan 0.000 0.490 4 S N -0.331 115.331 115.700 -0.063 0.000 2.242 4 S HA -0.302 4.167 4.470 -0.001 0.000 0.233 4 S C 1.251 175.577 174.600 -0.457 0.000 1.183 4 S CA 1.782 59.965 58.200 -0.027 0.000 1.639 4 S CB -1.728 61.601 63.200 0.215 0.000 2.135 4 S HN 0.209 nan 8.310 nan 0.000 0.602 5 V N 2.406 122.108 119.914 -0.353 0.000 2.214 5 V HA -0.227 3.893 4.120 -0.001 0.000 0.244 5 V C 2.498 178.162 176.094 -0.716 0.000 1.045 5 V CA 2.438 64.439 62.300 -0.498 0.000 0.993 5 V CB -1.419 30.327 31.823 -0.128 0.000 0.633 5 V HN 0.801 nan 8.190 nan 0.000 0.449 6 H N -0.811 118.005 119.070 -0.423 0.000 2.491 6 H HA -0.050 4.506 4.556 -0.001 0.000 0.290 6 H C 2.548 177.682 175.328 -0.324 0.000 1.050 6 H CA 0.639 56.505 56.048 -0.302 0.000 1.309 6 H CB 0.112 29.778 29.762 -0.161 0.000 1.392 6 H HN 0.299 nan 8.280 nan 0.000 0.554 7 R N 0.991 121.336 120.500 -0.259 0.000 2.187 7 R HA -0.165 4.174 4.340 -0.001 0.000 0.215 7 R C 2.442 178.653 176.300 -0.149 0.000 1.106 7 R CA 1.910 57.915 56.100 -0.158 0.000 0.869 7 R CB -0.943 29.302 30.300 -0.091 0.000 0.789 7 R HN 0.442 nan 8.270 nan 0.000 0.447 8 Y N 1.221 121.546 120.300 0.042 0.000 2.271 8 Y HA -0.248 4.301 4.550 -0.001 0.000 0.284 8 Y C 2.069 177.987 175.900 0.030 0.000 1.189 8 Y CA 1.221 59.340 58.100 0.032 0.000 1.229 8 Y CB -0.746 37.730 38.460 0.027 0.000 0.973 8 Y HN 0.087 nan 8.280 nan 0.000 0.537 9 K N 0.915 121.296 120.400 -0.031 0.000 1.965 9 K HA -0.252 4.068 4.320 -0.001 0.000 0.220 9 K C 2.342 178.969 176.600 0.046 0.000 1.046 9 K CA 2.023 58.357 56.287 0.078 0.000 0.974 9 K CB -0.313 32.144 32.500 -0.072 0.000 0.738 9 K HN 0.338 nan 8.250 nan 0.000 0.444 10 K N 0.715 121.106 120.400 -0.015 0.000 2.097 10 K HA -0.170 4.150 4.320 -0.001 0.000 0.206 10 K C 1.815 178.427 176.600 0.019 0.000 1.049 10 K CA 1.641 57.926 56.287 -0.004 0.000 0.933 10 K CB 0.065 32.550 32.500 -0.024 0.000 0.717 10 K HN 0.246 nan 8.250 nan 0.000 0.442 11 E N 0.245 120.460 120.200 0.026 0.000 2.013 11 E HA -0.278 4.071 4.350 -0.001 0.000 0.202 11 E C 2.017 178.648 176.600 0.052 0.000 1.018 11 E CA 1.393 57.818 56.400 0.043 0.000 0.834 11 E CB -0.331 29.404 29.700 0.059 0.000 0.770 11 E HN 0.429 nan 8.360 nan 0.000 0.459 12 A N 1.683 124.552 122.820 0.081 0.000 1.863 12 A HA -0.345 3.975 4.320 -0.001 0.000 0.218 12 A C 2.394 180.004 177.584 0.043 0.000 1.233 12 A CA 3.302 55.383 52.037 0.072 0.000 0.655 12 A CB -1.406 17.658 19.000 0.107 0.000 0.839 12 A HN 0.421 nan 8.150 nan 0.000 0.454 13 S N 0.696 116.423 115.700 0.044 0.000 2.456 13 S HA -0.390 4.080 4.470 -0.001 0.000 0.232 13 S C 1.675 176.284 174.600 0.014 0.000 1.046 13 S CA 1.959 60.174 58.200 0.025 0.000 1.175 13 S CB -1.684 61.529 63.200 0.021 0.000 1.129 13 S HN 0.745 nan 8.310 nan 0.000 0.420 14 N N 2.659 121.369 118.700 0.016 0.000 2.106 14 N HA -0.243 4.496 4.740 -0.001 0.000 0.200 14 N C 1.922 177.433 175.510 0.001 0.000 1.014 14 N CA 1.874 54.931 53.050 0.013 0.000 0.891 14 N CB -0.889 37.613 38.487 0.025 0.000 1.069 14 N HN 0.639 nan 8.380 nan 0.000 0.490 15 L N 0.350 121.576 121.223 0.004 0.000 1.978 15 L HA -0.157 4.182 4.340 -0.001 0.000 0.218 15 L C 2.265 179.116 176.870 -0.031 0.000 1.075 15 L CA 1.651 56.485 54.840 -0.011 0.000 0.767 15 L CB -1.192 40.864 42.059 -0.004 0.000 0.890 15 L HN 0.244 nan 8.230 nan 0.000 0.434 16 I N -0.270 120.287 120.570 -0.023 0.000 2.163 16 I HA -0.323 3.847 4.170 -0.001 0.000 0.243 16 I C 2.545 178.638 176.117 -0.039 0.000 1.085 16 I CA 1.721 63.001 61.300 -0.033 0.000 1.347 16 I CB -0.174 37.816 38.000 -0.017 0.000 1.044 16 I HN 0.415 nan 8.210 nan 0.000 0.408 17 K N 0.453 120.836 120.400 -0.028 0.000 2.160 17 K HA -0.181 4.138 4.320 -0.001 0.000 0.206 17 K C 1.932 178.502 176.600 -0.050 0.000 1.047 17 K CA 1.501 57.770 56.287 -0.030 0.000 0.930 17 K CB -0.150 32.336 32.500 -0.022 0.000 0.720 17 K HN 0.461 nan 8.250 nan 0.000 0.450 18 L N -0.394 120.791 121.223 -0.062 0.000 2.253 18 L HA 0.080 4.420 4.340 -0.001 0.000 0.205 18 L C 2.421 179.219 176.870 -0.120 0.000 1.078 18 L CA 0.294 55.076 54.840 -0.097 0.000 0.805 18 L CB -0.655 41.350 42.059 -0.089 0.000 0.963 18 L HN 0.112 nan 8.230 nan 0.000 0.459 19 A N 1.671 124.431 122.820 -0.102 0.000 2.106 19 A HA -0.358 3.961 4.320 -0.001 0.000 0.207 19 A C 2.395 179.893 177.584 -0.143 0.000 1.226 19 A CA 3.532 55.493 52.037 -0.126 0.000 0.783 19 A CB -1.503 17.438 19.000 -0.098 0.000 0.826 19 A HN 0.502 nan 8.150 nan 0.000 0.507 20 T N -1.827 112.662 114.554 -0.108 0.000 2.624 20 T HA -0.191 4.158 4.350 -0.001 0.000 0.266 20 T C -0.141 174.501 174.700 -0.096 0.000 1.050 20 T CA 2.163 64.207 62.100 -0.093 0.000 1.163 20 T CB -2.134 66.708 68.868 -0.042 0.000 0.861 20 T HN 0.400 nan 8.240 nan 0.000 0.443 21 P HA -0.137 nan 4.420 nan 0.000 0.201 21 P C 2.141 179.355 177.300 -0.144 0.000 1.046 21 P CA 2.104 65.148 63.100 -0.093 0.000 0.942 21 P CB -0.702 30.936 31.700 -0.103 0.000 0.733 22 V N -1.663 118.123 119.914 -0.212 0.000 2.357 22 V HA -0.278 3.841 4.120 -0.001 0.000 0.257 22 V C 2.084 178.056 176.094 -0.204 0.000 1.082 22 V CA 2.135 64.273 62.300 -0.270 0.000 1.078 22 V CB -1.942 29.691 31.823 -0.316 0.000 0.663 22 V HN 0.095 nan 8.190 nan 0.000 0.455 23 L N -0.331 120.765 121.223 -0.212 0.000 1.948 23 L HA -0.106 4.234 4.340 -0.001 0.000 0.212 23 L C 2.721 179.491 176.870 -0.168 0.000 1.074 23 L CA 2.689 57.383 54.840 -0.243 0.000 0.753 23 L CB -0.956 40.905 42.059 -0.331 0.000 0.888 23 L HN 0.305 nan 8.230 nan 0.000 0.432 24 I N 0.837 121.321 120.570 -0.143 0.000 2.182 24 I HA -0.367 3.802 4.170 -0.001 0.000 0.248 24 I C 2.903 178.938 176.117 -0.136 0.000 1.073 24 I CA 1.716 62.932 61.300 -0.139 0.000 1.335 24 I CB -1.624 36.316 38.000 -0.099 0.000 1.031 24 I HN 0.354 nan 8.210 nan 0.000 0.420 25 A N 0.996 123.755 122.820 -0.101 0.000 1.903 25 A HA -0.313 4.006 4.320 -0.001 0.000 0.219 25 A C 2.549 180.116 177.584 -0.028 0.000 1.191 25 A CA 3.182 55.188 52.037 -0.052 0.000 0.638 25 A CB -1.041 17.932 19.000 -0.044 0.000 0.823 25 A HN 0.627 nan 8.150 nan 0.000 0.451 26 S N -0.495 115.185 115.700 -0.033 0.000 2.370 26 S HA -0.149 4.321 4.470 -0.001 0.000 0.226 26 S C 1.712 176.297 174.600 -0.025 0.000 1.033 26 S CA 1.506 59.709 58.200 0.004 0.000 1.011 26 S CB -1.136 62.071 63.200 0.012 0.000 0.852 26 S HN 0.334 nan 8.310 nan 0.000 0.457 27 V N 2.387 122.259 119.914 -0.071 0.000 2.546 27 V HA -0.187 3.932 4.120 -0.001 0.000 0.254 27 V C 2.910 178.917 176.094 -0.145 0.000 1.076 27 V CA 1.593 63.825 62.300 -0.113 0.000 1.087 27 V CB -1.632 30.072 31.823 -0.198 0.000 0.674 27 V HN 0.730 nan 8.190 nan 0.000 0.470 28 A N -1.219 121.527 122.820 -0.123 0.000 1.833 28 A HA -0.197 4.123 4.320 -0.001 0.000 0.215 28 A C 2.108 179.645 177.584 -0.077 0.000 1.275 28 A CA 1.570 53.543 52.037 -0.108 0.000 0.602 28 A CB -0.839 18.125 19.000 -0.059 0.000 0.929 28 A HN 0.425 nan 8.150 nan 0.000 0.462 29 Q N -0.632 119.150 119.800 -0.031 0.000 1.992 29 Q HA -0.314 4.026 4.340 -0.001 0.000 0.216 29 Q C 2.273 178.242 176.000 -0.053 0.000 1.047 29 Q CA 3.807 59.589 55.803 -0.035 0.000 0.899 29 Q CB -0.906 27.839 28.738 0.013 0.000 1.021 29 Q HN 0.825 nan 8.270 nan 0.000 0.421 30 T N -2.112 112.426 114.554 -0.026 0.000 2.588 30 T HA -0.105 4.244 4.350 -0.001 0.000 0.261 30 T C 1.831 176.487 174.700 -0.072 0.000 1.069 30 T CA 1.644 63.740 62.100 -0.005 0.000 1.172 30 T CB -1.503 67.390 68.868 0.042 0.000 0.863 30 T HN 0.520 nan 8.240 nan 0.000 0.408 31 G N 3.296 112.026 108.800 -0.117 0.000 2.839 31 G HA2 -0.416 3.543 3.960 -0.001 0.000 0.221 31 G HA3 -0.416 3.543 3.960 -0.001 0.000 0.221 31 G C 1.724 176.404 174.900 -0.366 0.000 1.271 31 G CA 2.652 47.596 45.100 -0.259 0.000 0.789 31 G HN 0.807 nan 8.290 nan 0.000 0.659 32 M N 0.375 119.837 119.600 -0.231 0.000 2.088 32 M HA 0.023 4.502 4.480 -0.001 0.000 0.256 32 M C 2.450 178.644 176.300 -0.177 0.000 1.071 32 M CA 2.474 57.663 55.300 -0.186 0.000 1.097 32 M CB -1.634 30.898 32.600 -0.114 0.000 1.315 32 M HN 0.254 nan 8.290 nan 0.000 0.406 33 G N 1.622 110.345 108.800 -0.128 0.000 2.908 33 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.218 33 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.218 33 G C 1.132 176.032 174.900 -0.000 0.000 1.311 33 G CA 2.029 47.094 45.100 -0.057 0.000 0.787 33 G HN 0.771 nan 8.290 nan 0.000 0.700 34 F N 1.659 121.607 119.950 -0.004 0.000 2.161 34 F HA -0.008 4.518 4.527 -0.001 0.000 0.300 34 F C 2.372 178.189 175.800 0.029 0.000 1.089 34 F CA 1.153 59.163 58.000 0.017 0.000 1.282 34 F CB -1.260 37.755 39.000 0.025 0.000 1.010 34 F HN 0.082 nan 8.300 nan 0.000 0.485 35 V N 2.661 122.178 119.914 -0.661 0.000 2.271 35 V HA -0.461 3.659 4.120 -0.001 0.000 0.237 35 V C 2.567 178.640 176.094 -0.034 0.000 1.007 35 V CA 2.867 64.898 62.300 -0.447 0.000 1.007 35 V CB -1.271 30.276 31.823 -0.459 0.000 0.656 35 V HN 0.593 nan 8.190 nan 0.000 0.482 36 D N -0.967 119.410 120.400 -0.038 0.000 2.182 36 D HA -0.170 4.470 4.640 -0.001 0.000 0.201 36 D C 1.734 178.077 176.300 0.071 0.000 0.986 36 D CA 1.973 55.994 54.000 0.035 0.000 0.847 36 D CB -0.595 40.220 40.800 0.025 0.000 0.942 36 D HN 0.489 nan 8.370 nan 0.000 0.467 37 T N 0.464 115.060 114.554 0.071 0.000 2.542 37 T HA -0.107 4.243 4.350 -0.001 0.000 0.257 37 T C 1.862 176.643 174.700 0.136 0.000 1.111 37 T CA 1.133 63.291 62.100 0.096 0.000 1.203 37 T CB -0.262 68.663 68.868 0.094 0.000 0.866 37 T HN 0.078 nan 8.240 nan 0.000 0.399 38 I N 1.859 122.550 120.570 0.203 0.000 2.076 38 I HA -0.198 3.971 4.170 -0.001 0.000 0.237 38 I C 2.658 178.879 176.117 0.173 0.000 1.059 38 I CA 1.469 62.886 61.300 0.196 0.000 1.317 38 I CB -1.233 36.902 38.000 0.226 0.000 1.037 38 I HN 0.450 nan 8.210 nan 0.000 0.398 39 M N 0.973 120.704 119.600 0.218 0.000 3.283 39 M HA -0.371 4.109 4.480 -0.001 0.000 0.272 39 M C 2.154 178.527 176.300 0.122 0.000 1.023 39 M CA 3.501 58.900 55.300 0.166 0.000 1.040 39 M CB -0.732 31.963 32.600 0.157 0.000 1.271 39 M HN 0.234 nan 8.290 nan 0.000 0.549 40 A N -0.393 122.499 122.820 0.120 0.000 1.865 40 A HA 0.261 4.580 4.320 -0.001 0.000 0.216 40 A C 1.720 179.354 177.584 0.084 0.000 1.315 40 A CA 0.966 53.069 52.037 0.110 0.000 0.605 40 A CB -1.488 17.589 19.000 0.127 0.000 0.984 40 A HN 0.748 nan 8.150 nan 0.000 0.470 41 G N -0.775 108.073 108.800 0.080 0.000 2.924 41 G HA2 0.430 4.390 3.960 -0.001 0.000 0.273 41 G HA3 0.430 4.390 3.960 -0.001 0.000 0.273 41 G C 0.478 175.422 174.900 0.072 0.000 0.734 41 G CA 0.701 45.839 45.100 0.062 0.000 2.065 41 G HN 1.143 nan 8.290 nan 0.000 0.580 42 G N -0.283 108.556 108.800 0.066 0.000 4.315 42 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.190 42 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.190 42 G C 0.546 175.477 174.900 0.052 0.000 1.222 42 G CA 0.354 45.497 45.100 0.071 0.000 1.019 42 G HN 0.403 nan 8.290 nan 0.000 0.362 43 V N 2.257 122.200 119.914 0.048 0.000 3.249 43 V HA 0.347 4.466 4.120 -0.001 0.000 0.338 43 V C 1.482 177.589 176.094 0.023 0.000 1.363 43 V CA 1.301 63.620 62.300 0.031 0.000 1.205 43 V CB 0.384 32.225 31.823 0.029 0.000 1.164 43 V HN 0.337 nan 8.190 nan 0.000 0.458 44 S N 0.986 116.697 115.700 0.019 0.000 3.148 44 S HA 0.260 4.729 4.470 -0.001 0.000 0.246 44 S C 1.881 176.460 174.600 -0.036 0.000 1.041 44 S CA 0.610 58.805 58.200 -0.008 0.000 0.813 44 S CB 0.134 63.334 63.200 -0.000 0.000 0.813 44 S HN 0.498 nan 8.310 nan 0.000 0.546 45 A N 1.918 124.724 122.820 -0.023 0.000 2.236 45 A HA 0.311 4.630 4.320 -0.001 0.000 0.214 45 A C 0.311 177.886 177.584 -0.015 0.000 1.287 45 A CA 0.113 52.131 52.037 -0.031 0.000 0.909 45 A CB -0.938 18.055 19.000 -0.011 0.000 0.839 45 A HN 0.465 nan 8.150 nan 0.000 0.486 46 I N -0.542 120.021 120.570 -0.012 0.000 6.431 46 I HA -0.247 3.923 4.170 -0.001 0.000 0.126 46 I C 0.112 176.237 176.117 0.012 0.000 1.825 46 I CA 0.925 62.223 61.300 -0.003 0.000 2.040 46 I CB -2.804 35.190 38.000 -0.009 0.000 3.487 46 I HN 0.538 nan 8.210 nan 0.000 0.170 47 D N -0.169 120.244 120.400 0.022 0.000 2.979 47 D HA -0.260 4.379 4.640 -0.001 0.000 0.208 47 D C 1.326 177.653 176.300 0.045 0.000 1.122 47 D CA 1.830 55.853 54.000 0.038 0.000 0.992 47 D CB -0.322 40.498 40.800 0.034 0.000 1.117 47 D HN 0.444 nan 8.370 nan 0.000 0.397 48 M N -1.000 118.620 119.600 0.033 0.000 2.563 48 M HA 0.312 4.792 4.480 -0.001 0.000 0.231 48 M C 1.884 178.209 176.300 0.041 0.000 1.136 48 M CA 0.510 55.831 55.300 0.035 0.000 1.026 48 M CB -0.456 32.157 32.600 0.021 0.000 1.597 48 M HN 0.199 nan 8.290 nan 0.000 0.495 49 A N -0.523 122.323 122.820 0.044 0.000 1.942 49 A HA 0.409 4.728 4.320 -0.001 0.000 0.209 49 A C 2.256 179.884 177.584 0.073 0.000 1.214 49 A CA 1.018 53.085 52.037 0.050 0.000 0.686 49 A CB -0.597 18.429 19.000 0.042 0.000 0.871 49 A HN 0.359 nan 8.150 nan 0.000 0.460 50 A N 0.462 123.329 122.820 0.079 0.000 1.844 50 A HA -0.087 4.233 4.320 -0.001 0.000 0.214 50 A C 2.301 179.953 177.584 0.113 0.000 1.217 50 A CA 3.061 55.158 52.037 0.101 0.000 0.644 50 A CB -1.592 17.473 19.000 0.108 0.000 0.850 50 A HN 1.189 nan 8.150 nan 0.000 0.456 51 V N -1.865 118.113 119.914 0.108 0.000 2.392 51 V HA -0.224 3.895 4.120 -0.001 0.000 0.249 51 V C 2.200 178.364 176.094 0.117 0.000 1.059 51 V CA 2.748 65.116 62.300 0.114 0.000 1.051 51 V CB -1.489 30.387 31.823 0.088 0.000 0.658 51 V HN 0.440 nan 8.190 nan 0.000 0.455 52 S N 2.460 118.218 115.700 0.098 0.000 2.363 52 S HA -0.167 4.303 4.470 -0.001 0.000 0.218 52 S C 1.885 176.559 174.600 0.123 0.000 1.035 52 S CA 2.146 60.404 58.200 0.097 0.000 1.043 52 S CB -0.739 62.507 63.200 0.076 0.000 0.986 52 S HN 0.896 nan 8.310 nan 0.000 0.423 53 I N 1.344 121.984 120.570 0.117 0.000 2.657 53 I HA -0.020 4.150 4.170 -0.001 0.000 0.261 53 I C 1.949 178.165 176.117 0.165 0.000 1.212 53 I CA 0.719 62.097 61.300 0.131 0.000 1.453 53 I CB -0.949 37.115 38.000 0.105 0.000 1.092 53 I HN 0.170 nan 8.210 nan 0.000 0.452 54 A N 1.681 124.612 122.820 0.186 0.000 1.828 54 A HA 0.052 4.372 4.320 -0.001 0.000 0.215 54 A C 2.599 180.453 177.584 0.450 0.000 1.203 54 A CA 2.206 54.398 52.037 0.259 0.000 0.614 54 A CB -1.513 17.645 19.000 0.264 0.000 0.844 54 A HN 0.583 nan 8.150 nan 0.000 0.445 55 A N -0.436 122.624 122.820 0.400 0.000 1.986 55 A HA -0.144 4.175 4.320 -0.001 0.000 0.220 55 A C 2.397 180.181 177.584 0.332 0.000 1.171 55 A CA 2.445 54.674 52.037 0.320 0.000 0.640 55 A CB -1.120 17.897 19.000 0.028 0.000 0.811 55 A HN 0.845 nan 8.150 nan 0.000 0.451 56 S N 0.724 116.579 115.700 0.259 0.000 2.482 56 S HA -0.229 4.240 4.470 -0.001 0.000 0.226 56 S C 1.794 176.517 174.600 0.206 0.000 1.048 56 S CA 1.890 60.234 58.200 0.239 0.000 1.158 56 S CB -0.850 62.487 63.200 0.228 0.000 1.130 56 S HN 0.605 nan 8.310 nan 0.000 0.413 57 I N -0.622 120.047 120.570 0.165 0.000 2.800 57 I HA -0.143 4.026 4.170 -0.001 0.000 0.266 57 I C 2.129 178.299 176.117 0.089 0.000 1.249 57 I CA 0.876 62.218 61.300 0.069 0.000 1.458 57 I CB -0.726 37.279 38.000 0.009 0.000 1.093 57 I HN 0.406 nan 8.210 nan 0.000 0.466 58 W N 1.337 122.649 121.300 0.021 0.000 2.292 58 W HA -0.264 4.395 4.660 -0.001 0.000 0.330 58 W C 2.500 179.041 176.519 0.037 0.000 1.264 58 W CA 1.440 58.805 57.345 0.033 0.000 1.235 58 W CB -0.469 29.016 29.460 0.041 0.000 1.164 58 W HN 0.001 nan 8.180 nan 0.000 0.461 59 L N -0.354 121.069 121.223 0.334 0.000 2.013 59 L HA -0.194 4.145 4.340 -0.001 0.000 0.212 59 L C -0.319 176.620 176.870 0.115 0.000 1.073 59 L CA 2.230 57.193 54.840 0.205 0.000 0.753 59 L CB -3.196 38.943 42.059 0.133 0.000 0.890 59 L HN -0.030 nan 8.230 nan 0.000 0.432 60 P HA -0.204 nan 4.420 nan 0.000 0.216 60 P C 2.144 179.483 177.300 0.066 0.000 1.154 60 P CA 2.137 65.220 63.100 -0.029 0.000 0.865 60 P CB -0.004 31.632 31.700 -0.107 0.000 0.789 61 S N 0.212 115.970 115.700 0.096 0.000 2.389 61 S HA -0.281 4.188 4.470 -0.001 0.000 0.229 61 S C 1.989 176.798 174.600 0.348 0.000 1.048 61 S CA 2.380 60.713 58.200 0.223 0.000 1.117 61 S CB -1.569 61.686 63.200 0.092 0.000 1.020 61 S HN 0.197 nan 8.310 nan 0.000 0.430 62 I N 1.572 122.323 120.570 0.301 0.000 2.185 62 I HA -0.174 3.995 4.170 -0.001 0.000 0.246 62 I C 2.398 178.541 176.117 0.042 0.000 1.088 62 I CA 2.121 63.596 61.300 0.291 0.000 1.347 62 I CB -0.700 37.436 38.000 0.226 0.000 1.041 62 I HN 0.581 nan 8.210 nan 0.000 0.415 63 L N 0.414 121.656 121.223 0.033 0.000 1.943 63 L HA -0.221 4.119 4.340 -0.001 0.000 0.215 63 L C 2.467 179.243 176.870 -0.157 0.000 1.074 63 L CA 2.166 56.992 54.840 -0.023 0.000 0.759 63 L CB -1.080 40.990 42.059 0.017 0.000 0.888 63 L HN 0.228 nan 8.230 nan 0.000 0.433 64 F N 1.478 121.246 119.950 -0.302 0.000 2.257 64 F HA -0.196 4.331 4.527 -0.001 0.000 0.302 64 F C 2.143 177.439 175.800 -0.841 0.000 1.056 64 F CA 1.363 59.130 58.000 -0.389 0.000 1.353 64 F CB -0.984 37.882 39.000 -0.224 0.000 1.064 64 F HN 0.313 nan 8.300 nan 0.000 0.520 65 G N -0.137 107.924 108.800 -1.232 0.000 2.453 65 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.215 65 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.215 65 G C 1.732 176.246 174.900 -0.644 0.000 1.201 65 G CA 1.677 45.756 45.100 -1.703 0.000 0.784 65 G HN 0.424 nan 8.290 nan 0.000 0.545 66 V N -0.171 119.516 119.914 -0.378 0.000 2.828 66 V HA 0.017 4.136 4.120 -0.001 0.000 0.260 66 V C 2.608 178.510 176.094 -0.319 0.000 1.101 66 V CA 1.911 64.046 62.300 -0.275 0.000 1.123 66 V CB -1.257 30.458 31.823 -0.181 0.000 0.704 66 V HN 0.320 nan 8.190 nan 0.000 0.493 67 G N 0.305 108.853 108.800 -0.420 0.000 2.422 67 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.218 67 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.218 67 G C 1.471 176.120 174.900 -0.417 0.000 1.146 67 G CA 0.896 45.714 45.100 -0.470 0.000 0.769 67 G HN 0.472 nan 8.290 nan 0.000 0.547 68 L N 0.833 121.833 121.223 -0.371 0.000 2.362 68 L HA 0.182 4.522 4.340 -0.001 0.000 0.219 68 L C 2.399 179.160 176.870 -0.182 0.000 1.134 68 L CA 1.035 55.740 54.840 -0.225 0.000 0.807 68 L CB -0.593 41.434 42.059 -0.054 0.000 0.927 68 L HN 0.325 nan 8.230 nan 0.000 0.447 69 L N -0.497 120.599 121.223 -0.212 0.000 2.046 69 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 69 L C 1.832 178.577 176.870 -0.208 0.000 1.077 69 L CA 1.148 55.861 54.840 -0.212 0.000 0.747 69 L CB -0.093 41.782 42.059 -0.307 0.000 0.896 69 L HN 0.166 nan 8.230 nan 0.000 0.432 70 M N -0.002 119.461 119.600 -0.229 0.000 3.131 70 M HA 0.074 4.553 4.480 -0.001 0.000 0.213 70 M C 0.691 176.864 176.300 -0.211 0.000 1.307 70 M CA 0.657 55.840 55.300 -0.194 0.000 1.263 70 M CB -0.546 31.943 32.600 -0.184 0.000 1.419 70 M HN 0.508 nan 8.290 nan 0.000 0.446 71 A N -1.004 121.692 122.820 -0.207 0.000 1.827 71 A HA 0.137 4.457 4.320 -0.001 0.000 0.196 71 A C 1.393 178.869 177.584 -0.180 0.000 1.833 71 A CA -0.180 51.710 52.037 -0.246 0.000 1.363 71 A CB 0.234 19.052 19.000 -0.302 0.000 1.439 71 A HN 0.345 nan 8.150 nan 0.000 0.391 72 L N 0.907 122.058 121.223 -0.121 0.000 2.240 72 L HA 0.012 4.352 4.340 -0.001 0.000 0.211 72 L C 2.230 179.061 176.870 -0.066 0.000 1.106 72 L CA 1.460 56.257 54.840 -0.071 0.000 0.793 72 L CB -0.564 41.458 42.059 -0.062 0.000 0.927 72 L HN 0.228 nan 8.230 nan 0.000 0.446 73 V N 1.517 121.380 119.914 -0.084 0.000 2.252 73 V HA -0.194 3.925 4.120 -0.001 0.000 0.249 73 V C -0.513 175.540 176.094 -0.069 0.000 1.056 73 V CA 1.887 64.147 62.300 -0.067 0.000 1.022 73 V CB -1.609 30.171 31.823 -0.071 0.000 0.641 73 V HN 0.286 nan 8.190 nan 0.000 0.445 74 P HA -0.063 nan 4.420 nan 0.000 0.242 74 P C 1.290 178.551 177.300 -0.066 0.000 1.198 74 P CA 0.896 63.933 63.100 -0.104 0.000 0.756 74 P CB -0.227 31.364 31.700 -0.182 0.000 0.911 75 V N -5.048 114.844 119.914 -0.038 0.000 3.471 75 V HA 0.055 4.174 4.120 -0.001 0.000 0.258 75 V C 1.655 177.752 176.094 0.006 0.000 1.192 75 V CA 0.490 62.799 62.300 0.016 0.000 1.116 75 V CB -0.801 31.051 31.823 0.048 0.000 0.792 75 V HN -0.085 nan 8.190 nan 0.000 0.459 76 V N 2.048 121.947 119.914 -0.026 0.000 3.485 76 V HA 0.093 4.213 4.120 -0.001 0.000 0.273 76 V C 2.191 178.258 176.094 -0.046 0.000 1.243 76 V CA 1.271 63.541 62.300 -0.051 0.000 1.201 76 V CB -0.991 30.795 31.823 -0.061 0.000 0.927 76 V HN 0.710 nan 8.190 nan 0.000 0.540 77 A N -0.015 122.795 122.820 -0.018 0.000 2.236 77 A HA -0.033 4.286 4.320 -0.001 0.000 0.214 77 A C 1.893 179.484 177.584 0.010 0.000 1.287 77 A CA 0.750 52.784 52.037 -0.004 0.000 0.909 77 A CB -0.307 18.700 19.000 0.011 0.000 0.839 77 A HN 0.863 nan 8.150 nan 0.000 0.486 78 Q N -1.152 118.629 119.800 -0.030 0.000 2.123 78 Q HA 0.006 4.345 4.340 -0.001 0.000 0.196 78 Q C 0.816 176.773 176.000 -0.073 0.000 0.958 78 Q CA 0.670 56.433 55.803 -0.067 0.000 0.841 78 Q CB -0.504 28.112 28.738 -0.204 0.000 0.915 78 Q HN 0.395 nan 8.270 nan 0.000 0.455 79 L N 2.203 123.374 121.223 -0.086 0.000 2.784 79 L HA -0.004 4.335 4.340 -0.001 0.000 0.247 79 L C 0.738 177.593 176.870 -0.025 0.000 1.162 79 L CA 0.913 55.708 54.840 -0.075 0.000 0.881 79 L CB -0.631 41.373 42.059 -0.091 0.000 1.032 79 L HN 0.406 nan 8.230 nan 0.000 0.446 80 N N -0.499 118.216 118.700 0.024 0.000 2.644 80 N HA 0.092 4.831 4.740 -0.001 0.000 0.313 80 N C 1.162 176.784 175.510 0.186 0.000 1.863 80 N CA 0.271 53.371 53.050 0.083 0.000 0.918 80 N CB 0.675 39.207 38.487 0.075 0.000 1.320 80 N HN 0.192 nan 8.380 nan 0.000 0.490 81 G N -0.173 108.665 108.800 0.064 0.000 2.882 81 G HA2 0.231 4.190 3.960 -0.001 0.000 0.206 81 G HA3 0.231 4.190 3.960 -0.001 0.000 0.206 81 G C 0.947 175.804 174.900 -0.071 0.000 1.155 81 G CA 0.610 45.676 45.100 -0.056 0.000 0.800 81 G HN 0.645 nan 8.290 nan 0.000 0.524 82 A N -2.783 120.090 122.820 0.088 0.000 3.721 82 A HA -0.064 4.255 4.320 -0.001 0.000 0.212 82 A C 1.804 179.404 177.584 0.026 0.000 1.088 82 A CA 1.106 53.196 52.037 0.089 0.000 1.733 82 A CB -1.688 17.337 19.000 0.042 0.000 0.846 82 A HN 1.390 nan 8.150 nan 0.000 0.764 83 G N 0.149 108.953 108.800 0.006 0.000 2.830 83 G HA2 0.253 4.212 3.960 -0.001 0.000 0.172 83 G HA3 0.253 4.212 3.960 -0.001 0.000 0.172 83 G C 0.559 175.461 174.900 0.002 0.000 1.782 83 G CA 0.108 45.203 45.100 -0.008 0.000 0.900 83 G HN 0.677 nan 8.290 nan 0.000 0.389 84 R N 1.850 122.346 120.500 -0.008 0.000 3.491 84 R HA 0.021 4.361 4.340 -0.001 0.000 0.186 84 R C 1.597 177.904 176.300 0.011 0.000 1.737 84 R CA 0.219 56.315 56.100 -0.007 0.000 1.218 84 R CB -0.290 29.983 30.300 -0.045 0.000 1.301 84 R HN 0.685 nan 8.270 nan 0.000 0.703 85 Q N -0.243 119.581 119.800 0.040 0.000 2.561 85 Q HA -0.136 4.204 4.340 -0.001 0.000 0.217 85 Q C 0.215 176.288 176.000 0.122 0.000 0.980 85 Q CA 1.147 56.990 55.803 0.067 0.000 0.927 85 Q CB -0.183 28.578 28.738 0.038 0.000 0.980 85 Q HN 0.542 nan 8.270 nan 0.000 0.525 86 H N -0.963 118.114 119.070 0.012 0.000 2.931 86 H HA 0.366 4.921 4.556 -0.001 0.000 0.331 86 H C -0.411 174.920 175.328 0.004 0.000 1.273 86 H CA -0.429 55.626 56.048 0.013 0.000 1.171 86 H CB 1.280 31.042 29.762 -0.001 0.000 1.898 86 H HN 0.019 nan 8.280 nan 0.000 0.562 87 K N -0.468 119.006 120.400 -1.543 0.000 3.615 87 K HA -0.194 4.125 4.320 -0.001 0.000 0.264 87 K C 1.587 177.979 176.600 -0.346 0.000 1.090 87 K CA 1.372 57.153 56.287 -0.844 0.000 1.058 87 K CB -1.919 30.329 32.500 -0.420 0.000 1.304 87 K HN 0.590 nan 8.250 nan 0.000 0.513 88 I N -1.913 118.507 120.570 -0.251 0.000 2.353 88 I HA -0.029 4.141 4.170 -0.001 0.000 0.248 88 I C -1.131 174.922 176.117 -0.107 0.000 1.119 88 I CA 0.565 61.796 61.300 -0.115 0.000 1.417 88 I CB -0.947 37.025 38.000 -0.048 0.000 1.078 88 I HN -0.092 nan 8.210 nan 0.000 0.421 89 P HA -0.207 nan 4.420 nan 0.000 0.216 89 P C 1.857 178.746 177.300 -0.684 0.000 1.157 89 P CA 1.914 64.858 63.100 -0.261 0.000 0.880 89 P CB -0.172 31.456 31.700 -0.121 0.000 0.791 90 F N -0.737 118.929 119.950 -0.474 0.000 2.293 90 F HA -0.135 4.392 4.527 -0.001 0.000 0.297 90 F C 2.479 178.161 175.800 -0.196 0.000 1.089 90 F CA 0.304 58.097 58.000 -0.345 0.000 1.377 90 F CB 0.053 38.976 39.000 -0.129 0.000 1.051 90 F HN -0.093 nan 8.300 nan 0.000 0.511 91 E N 0.537 120.749 120.200 0.020 0.000 2.038 91 E HA -0.191 4.158 4.350 -0.001 0.000 0.195 91 E C 1.983 178.587 176.600 0.007 0.000 1.000 91 E CA 1.790 58.169 56.400 -0.034 0.000 0.803 91 E CB -0.629 29.033 29.700 -0.063 0.000 0.750 91 E HN 0.149 nan 8.360 nan 0.000 0.448 92 V N 0.880 120.811 119.914 0.028 0.000 2.214 92 V HA -0.330 3.790 4.120 -0.001 0.000 0.244 92 V C 2.218 178.462 176.094 0.250 0.000 1.045 92 V CA 2.403 64.778 62.300 0.125 0.000 0.993 92 V CB -0.995 30.948 31.823 0.199 0.000 0.633 92 V HN 0.459 nan 8.190 nan 0.000 0.449 93 H N -0.363 118.790 119.070 0.137 0.000 2.337 93 H HA -0.256 4.299 4.556 -0.001 0.000 0.288 93 H C 2.258 177.665 175.328 0.132 0.000 1.117 93 H CA 2.109 58.253 56.048 0.160 0.000 1.205 93 H CB -0.844 29.077 29.762 0.266 0.000 1.353 93 H HN 0.340 nan 8.280 nan 0.000 0.480 94 Q N 0.337 120.285 119.800 0.246 0.000 1.998 94 Q HA -0.126 4.213 4.340 -0.001 0.000 0.209 94 Q C 2.696 178.746 176.000 0.083 0.000 1.002 94 Q CA 1.841 57.712 55.803 0.115 0.000 0.858 94 Q CB -1.128 27.604 28.738 -0.011 0.000 0.932 94 Q HN 0.602 nan 8.270 nan 0.000 0.416 95 G N 1.359 110.195 108.800 0.059 0.000 2.628 95 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.217 95 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.217 95 G C 1.584 176.513 174.900 0.048 0.000 1.240 95 G CA 1.099 46.220 45.100 0.034 0.000 0.792 95 G HN 0.445 nan 8.290 nan 0.000 0.593 96 L N 0.324 121.585 121.223 0.063 0.000 2.113 96 L HA -0.262 4.078 4.340 -0.001 0.000 0.221 96 L C 2.838 179.749 176.870 0.067 0.000 1.084 96 L CA 1.551 56.428 54.840 0.060 0.000 0.787 96 L CB -0.238 41.868 42.059 0.079 0.000 0.893 96 L HN 0.381 nan 8.230 nan 0.000 0.440 97 I N -1.181 119.442 120.570 0.087 0.000 2.045 97 I HA -0.368 3.801 4.170 -0.001 0.000 0.233 97 I C 2.403 178.566 176.117 0.078 0.000 1.048 97 I CA 1.474 62.828 61.300 0.090 0.000 1.313 97 I CB -0.648 37.416 38.000 0.107 0.000 1.043 97 I HN 0.321 nan 8.210 nan 0.000 0.393 98 L N 1.545 122.817 121.223 0.082 0.000 2.123 98 L HA -0.308 4.031 4.340 -0.001 0.000 0.217 98 L C 2.514 179.419 176.870 0.058 0.000 1.081 98 L CA 2.128 57.024 54.840 0.093 0.000 0.772 98 L CB -1.122 41.003 42.059 0.110 0.000 0.890 98 L HN 0.329 nan 8.230 nan 0.000 0.437 99 A N -0.583 122.258 122.820 0.034 0.000 1.870 99 A HA -0.295 4.025 4.320 -0.001 0.000 0.219 99 A C 2.149 179.757 177.584 0.040 0.000 1.224 99 A CA 2.675 54.722 52.037 0.016 0.000 0.650 99 A CB -1.146 17.867 19.000 0.022 0.000 0.836 99 A HN 0.472 nan 8.150 nan 0.000 0.454 100 L N -0.242 121.014 121.223 0.054 0.000 2.046 100 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 100 L C 2.272 179.169 176.870 0.046 0.000 1.077 100 L CA 1.408 56.281 54.840 0.054 0.000 0.747 100 L CB -0.925 41.165 42.059 0.052 0.000 0.896 100 L HN 0.421 nan 8.230 nan 0.000 0.432 101 L N -1.615 119.644 121.223 0.060 0.000 2.651 101 L HA -0.156 4.184 4.340 -0.001 0.000 0.236 101 L C 1.758 178.675 176.870 0.077 0.000 1.173 101 L CA 0.193 55.075 54.840 0.071 0.000 0.843 101 L CB -0.733 41.386 42.059 0.100 0.000 0.964 101 L HN 0.143 nan 8.230 nan 0.000 0.454 102 V N -1.729 118.220 119.914 0.058 0.000 2.948 102 V HA -0.097 4.022 4.120 -0.001 0.000 0.234 102 V C 2.360 178.489 176.094 0.059 0.000 1.205 102 V CA 1.146 63.476 62.300 0.050 0.000 1.234 102 V CB 0.535 32.360 31.823 0.003 0.000 1.020 102 V HN 0.483 nan 8.190 nan 0.000 0.491 103 S N 0.920 116.673 115.700 0.089 0.000 2.392 103 S HA -0.231 4.238 4.470 -0.001 0.000 0.232 103 S C 1.892 176.475 174.600 -0.028 0.000 1.041 103 S CA 1.988 60.319 58.200 0.217 0.000 1.026 103 S CB -0.855 62.534 63.200 0.315 0.000 0.845 103 S HN 0.293 nan 8.310 nan 0.000 0.465 104 V N 3.166 123.009 119.914 -0.118 0.000 2.270 104 V HA -0.032 4.088 4.120 -0.001 0.000 0.245 104 V C -0.529 175.488 176.094 -0.128 0.000 1.043 104 V CA 1.730 63.894 62.300 -0.227 0.000 1.014 104 V CB -1.831 29.918 31.823 -0.123 0.000 0.645 104 V HN 0.351 nan 8.190 nan 0.000 0.447 105 P HA -0.122 nan 4.420 nan 0.000 0.227 105 P C 1.356 178.679 177.300 0.039 0.000 1.145 105 P CA 1.340 64.451 63.100 0.018 0.000 0.769 105 P CB 0.041 31.774 31.700 0.054 0.000 0.769 106 I N -2.130 118.470 120.570 0.051 0.000 3.445 106 I HA 0.029 4.198 4.170 -0.001 0.000 0.288 106 I C 1.997 178.221 176.117 0.179 0.000 1.198 106 I CA 0.409 61.807 61.300 0.163 0.000 1.417 106 I CB -0.512 37.661 38.000 0.289 0.000 1.205 106 I HN -0.075 nan 8.210 nan 0.000 0.448 107 I N 1.482 121.929 120.570 -0.204 0.000 2.315 107 I HA -0.309 3.860 4.170 -0.001 0.000 0.251 107 I C 2.770 178.906 176.117 0.031 0.000 1.125 107 I CA 1.284 62.356 61.300 -0.381 0.000 1.392 107 I CB -0.583 36.935 38.000 -0.803 0.000 1.065 107 I HN 0.115 nan 8.210 nan 0.000 0.424 108 A N 1.201 124.025 122.820 0.007 0.000 1.836 108 A HA -0.220 4.099 4.320 -0.001 0.000 0.215 108 A C 2.419 180.060 177.584 0.095 0.000 1.214 108 A CA 2.453 54.523 52.037 0.056 0.000 0.636 108 A CB -1.296 17.724 19.000 0.032 0.000 0.847 108 A HN 0.187 nan 8.150 nan 0.000 0.451 109 V N 0.389 120.362 119.914 0.098 0.000 2.363 109 V HA -0.296 3.823 4.120 -0.001 0.000 0.254 109 V C 2.414 178.598 176.094 0.150 0.000 1.074 109 V CA 2.058 64.422 62.300 0.108 0.000 1.069 109 V CB -1.033 30.860 31.823 0.116 0.000 0.659 109 V HN 0.590 nan 8.190 nan 0.000 0.455 110 L N -0.199 121.163 121.223 0.233 0.000 1.899 110 L HA -0.205 4.135 4.340 -0.001 0.000 0.223 110 L C 2.290 179.352 176.870 0.320 0.000 1.088 110 L CA 2.723 57.749 54.840 0.310 0.000 0.788 110 L CB -1.271 41.108 42.059 0.534 0.000 0.889 110 L HN 0.402 nan 8.230 nan 0.000 0.431 111 F N 0.387 120.427 119.950 0.150 0.000 2.050 111 F HA -0.489 4.038 4.527 -0.001 0.000 0.294 111 F C 2.748 178.564 175.800 0.028 0.000 1.113 111 F CA 2.179 60.212 58.000 0.056 0.000 1.225 111 F CB -0.165 38.812 39.000 -0.039 0.000 0.953 111 F HN 0.390 nan 8.300 nan 0.000 0.501 112 Q N 0.293 119.931 119.800 -0.271 0.000 1.956 112 Q HA -0.252 4.087 4.340 -0.001 0.000 0.208 112 Q C 2.328 178.287 176.000 -0.068 0.000 0.998 112 Q CA 3.037 58.628 55.803 -0.354 0.000 0.855 112 Q CB -1.233 27.381 28.738 -0.207 0.000 0.928 112 Q HN 0.475 nan 8.270 nan 0.000 0.418 113 T N -0.483 114.092 114.554 0.035 0.000 2.833 113 T HA -0.159 4.191 4.350 -0.001 0.000 0.269 113 T C 1.575 176.366 174.700 0.151 0.000 1.054 113 T CA 1.294 63.446 62.100 0.086 0.000 1.135 113 T CB -0.138 68.782 68.868 0.086 0.000 0.869 113 T HN 0.291 nan 8.240 nan 0.000 0.466 114 Q N 0.001 119.927 119.800 0.210 0.000 2.152 114 Q HA -0.092 4.248 4.340 -0.001 0.000 0.206 114 Q C 1.892 178.106 176.000 0.356 0.000 0.985 114 Q CA 1.386 57.367 55.803 0.298 0.000 0.863 114 Q CB -0.649 28.329 28.738 0.400 0.000 0.904 114 Q HN 0.569 nan 8.270 nan 0.000 0.422 115 F N -0.373 119.624 119.950 0.078 0.000 2.558 115 F HA 0.066 4.593 4.527 -0.001 0.000 0.298 115 F C 2.042 177.854 175.800 0.019 0.000 1.119 115 F CA -0.076 57.953 58.000 0.048 0.000 1.451 115 F CB 0.011 38.994 39.000 -0.029 0.000 1.091 115 F HN 0.022 nan 8.300 nan 0.000 0.563 116 I N -1.637 119.031 120.570 0.162 0.000 3.172 116 I HA -0.083 4.086 4.170 -0.001 0.000 0.278 116 I C 1.392 177.552 176.117 0.072 0.000 1.174 116 I CA 0.236 61.587 61.300 0.086 0.000 1.445 116 I CB 0.242 38.283 38.000 0.068 0.000 1.175 116 I HN -0.180 nan 8.210 nan 0.000 0.447 117 I N 0.326 120.949 120.570 0.089 0.000 4.908 117 I HA -0.506 3.664 4.170 -0.001 0.000 0.038 117 I C 1.628 177.787 176.117 0.070 0.000 0.635 117 I CA 2.150 63.498 61.300 0.080 0.000 0.203 117 I CB -1.302 36.746 38.000 0.079 0.000 0.319 117 I HN 0.431 nan 8.210 nan 0.000 0.150 118 R N -1.107 119.450 120.500 0.094 0.000 2.517 118 R HA 0.124 4.464 4.340 -0.001 0.000 0.076 118 R C -0.017 176.426 176.300 0.238 0.000 0.836 118 R CA 0.545 56.711 56.100 0.109 0.000 2.702 118 R CB 0.180 30.512 30.300 0.053 0.000 1.407 118 R HN 0.417 nan 8.270 nan 0.000 0.512 119 F N 0.092 120.031 119.950 -0.019 0.000 3.064 119 F HA 0.563 5.089 4.527 -0.001 0.000 0.353 119 F C 0.640 176.429 175.800 -0.018 0.000 1.393 119 F CA -0.680 57.308 58.000 -0.020 0.000 1.080 119 F CB 1.005 39.991 39.000 -0.024 0.000 1.619 119 F HN -0.121 nan 8.300 nan 0.000 0.465 120 M N 0.697 120.176 119.600 -0.203 0.000 2.821 120 M HA 0.165 4.644 4.480 -0.001 0.000 0.432 120 M C -0.304 175.940 176.300 -0.093 0.000 1.291 120 M CA 0.056 55.251 55.300 -0.175 0.000 0.838 120 M CB -0.346 32.085 32.600 -0.281 0.000 1.505 120 M HN 0.484 nan 8.290 nan 0.000 0.523 121 D N 1.488 121.927 120.400 0.065 0.000 2.612 121 D HA -0.257 4.382 4.640 -0.001 0.000 0.279 121 D C 1.581 177.900 176.300 0.032 0.000 1.324 121 D CA 3.325 57.389 54.000 0.105 0.000 1.135 121 D CB 0.049 40.941 40.800 0.154 0.000 1.774 121 D HN 0.408 nan 8.370 nan 0.000 0.598 122 V N -5.282 114.656 119.914 0.039 0.000 3.093 122 V HA 0.148 4.267 4.120 -0.001 0.000 0.251 122 V C 1.407 177.519 176.094 0.032 0.000 1.719 122 V CA 0.373 62.686 62.300 0.022 0.000 1.026 122 V CB -0.078 31.759 31.823 0.023 0.000 0.926 122 V HN 0.258 nan 8.190 nan 0.000 0.396 123 E N 1.981 122.210 120.200 0.049 0.000 2.333 123 E HA -0.211 4.139 4.350 -0.001 0.000 0.198 123 E C 1.422 178.058 176.600 0.060 0.000 1.007 123 E CA 1.477 57.913 56.400 0.060 0.000 0.845 123 E CB 0.127 29.872 29.700 0.074 0.000 0.766 123 E HN 0.907 nan 8.360 nan 0.000 0.507 124 E N 1.212 121.438 120.200 0.044 0.000 4.410 124 E HA -0.223 4.127 4.350 -0.001 0.000 0.574 124 E C 1.694 178.316 176.600 0.038 0.000 0.730 124 E CA 1.034 57.453 56.400 0.032 0.000 3.902 124 E CB -1.032 28.665 29.700 -0.007 0.000 1.232 124 E HN 0.122 nan 8.360 nan 0.000 0.310 125 A N 0.704 123.531 122.820 0.011 0.000 1.899 125 A HA -0.417 3.902 4.320 -0.001 0.000 0.230 125 A C 2.132 179.748 177.584 0.053 0.000 1.593 125 A CA 3.381 55.433 52.037 0.025 0.000 0.728 125 A CB -1.241 17.763 19.000 0.007 0.000 0.848 125 A HN 0.535 nan 8.150 nan 0.000 0.490 126 M N -1.973 117.651 119.600 0.040 0.000 7.156 126 M HA -0.262 4.217 4.480 -0.001 0.000 0.373 126 M C 2.365 178.699 176.300 0.057 0.000 0.947 126 M CA 1.704 57.029 55.300 0.041 0.000 1.060 126 M CB -0.840 31.781 32.600 0.034 0.000 1.028 126 M HN 0.590 nan 8.290 nan 0.000 1.062 127 A N -0.331 122.527 122.820 0.064 0.000 1.870 127 A HA -0.258 4.062 4.320 -0.001 0.000 0.219 127 A C 1.901 179.549 177.584 0.108 0.000 1.224 127 A CA 3.091 55.177 52.037 0.081 0.000 0.650 127 A CB -1.643 17.421 19.000 0.106 0.000 0.836 127 A HN 0.808 nan 8.150 nan 0.000 0.454 128 T N -0.299 114.338 114.554 0.137 0.000 1.881 128 T HA -0.311 4.039 4.350 -0.001 0.000 0.144 128 T C 1.680 176.516 174.700 0.227 0.000 1.872 128 T CA 2.276 64.490 62.100 0.189 0.000 0.930 128 T CB -0.452 68.511 68.868 0.159 0.000 0.811 128 T HN 0.474 nan 8.240 nan 0.000 0.402 129 K N 1.197 121.738 120.400 0.235 0.000 2.365 129 K HA 0.092 4.411 4.320 -0.001 0.000 0.197 129 K C 2.553 179.262 176.600 0.181 0.000 1.042 129 K CA 1.197 57.654 56.287 0.284 0.000 0.987 129 K CB -1.020 31.713 32.500 0.388 0.000 0.779 129 K HN 0.831 nan 8.250 nan 0.000 0.484 130 T N 0.321 114.924 114.554 0.082 0.000 2.520 130 T HA -0.181 4.169 4.350 -0.001 0.000 0.258 130 T C 2.072 176.629 174.700 -0.238 0.000 1.125 130 T CA 2.337 64.406 62.100 -0.052 0.000 1.206 130 T CB -1.225 67.622 68.868 -0.035 0.000 0.864 130 T HN -0.019 nan 8.240 nan 0.000 0.400 131 V N 1.195 120.962 119.914 -0.246 0.000 2.546 131 V HA 0.014 4.133 4.120 -0.001 0.000 0.254 131 V C 2.728 178.139 176.094 -1.138 0.000 1.076 131 V CA 1.564 63.549 62.300 -0.525 0.000 1.087 131 V CB -2.299 29.385 31.823 -0.231 0.000 0.674 131 V HN 0.699 nan 8.190 nan 0.000 0.470 132 G N 1.599 110.088 108.800 -0.520 0.000 2.802 132 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.222 132 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.222 132 G C 1.341 176.265 174.900 0.039 0.000 1.248 132 G CA 2.029 47.084 45.100 -0.075 0.000 0.787 132 G HN 0.902 nan 8.290 nan 0.000 0.643 133 Y N -1.314 118.945 120.300 -0.068 0.000 2.561 133 Y HA 0.392 4.941 4.550 -0.001 0.000 0.291 133 Y C 2.394 178.279 175.900 -0.025 0.000 1.141 133 Y CA 0.244 58.340 58.100 -0.006 0.000 1.303 133 Y CB -0.269 38.184 38.460 -0.012 0.000 1.015 133 Y HN 0.044 nan 8.280 nan 0.000 0.547 134 M N 0.260 119.710 119.600 -0.250 0.000 2.630 134 M HA -0.046 4.434 4.480 -0.001 0.000 0.254 134 M C 0.846 177.102 176.300 -0.074 0.000 1.092 134 M CA 1.123 56.287 55.300 -0.228 0.000 1.087 134 M CB -1.325 31.085 32.600 -0.316 0.000 1.453 134 M HN 0.606 nan 8.290 nan 0.000 0.509 135 H N -0.958 118.115 119.070 0.005 0.000 2.451 135 H HA 0.211 4.767 4.556 -0.001 0.000 0.294 135 H C 2.092 177.394 175.328 -0.044 0.000 1.028 135 H CA 0.606 56.601 56.048 -0.088 0.000 1.349 135 H CB 0.347 30.098 29.762 -0.019 0.000 1.444 135 H HN 0.390 nan 8.280 nan 0.000 0.538 136 A N 0.982 124.011 122.820 0.349 0.000 1.986 136 A HA -0.164 4.155 4.320 -0.001 0.000 0.220 136 A C 2.426 180.155 177.584 0.240 0.000 1.171 136 A CA 1.475 53.799 52.037 0.479 0.000 0.640 136 A CB -0.875 18.291 19.000 0.277 0.000 0.811 136 A HN 0.218 nan 8.150 nan 0.000 0.451 137 V N -0.374 119.588 119.914 0.079 0.000 2.343 137 V HA -0.184 3.935 4.120 -0.001 0.000 0.247 137 V C 2.046 178.047 176.094 -0.156 0.000 1.051 137 V CA 1.803 64.065 62.300 -0.064 0.000 1.036 137 V CB -0.437 31.404 31.823 0.029 0.000 0.654 137 V HN 0.654 nan 8.190 nan 0.000 0.451 138 I N -0.804 119.691 120.570 -0.125 0.000 3.699 138 I HA 0.018 4.187 4.170 -0.001 0.000 0.306 138 I C 1.085 177.018 176.117 -0.307 0.000 1.320 138 I CA 0.400 61.599 61.300 -0.170 0.000 1.220 138 I CB -0.198 37.709 38.000 -0.155 0.000 1.075 138 I HN 0.182 nan 8.210 nan 0.000 0.437 139 F N -0.153 119.771 119.950 -0.043 0.000 2.667 139 F HA 0.323 4.849 4.527 -0.001 0.000 0.288 139 F C 2.247 177.999 175.800 -0.081 0.000 1.086 139 F CA 0.481 58.463 58.000 -0.030 0.000 1.297 139 F CB -0.262 38.725 39.000 -0.021 0.000 1.059 139 F HN 0.094 nan 8.300 nan 0.000 0.624 140 A N -0.416 122.357 122.820 -0.079 0.000 2.123 140 A HA 0.106 4.426 4.320 -0.001 0.000 0.214 140 A C 2.099 179.642 177.584 -0.068 0.000 1.152 140 A CA 0.967 52.854 52.037 -0.251 0.000 0.728 140 A CB -0.801 17.637 19.000 -0.936 0.000 0.814 140 A HN 0.113 nan 8.150 nan 0.000 0.464 141 V N 0.740 120.645 119.914 -0.015 0.000 2.261 141 V HA -0.148 3.972 4.120 -0.001 0.000 0.246 141 V C -0.127 176.168 176.094 0.336 0.000 1.047 141 V CA 2.543 64.987 62.300 0.241 0.000 1.015 141 V CB -1.314 30.625 31.823 0.193 0.000 0.642 141 V HN 0.337 nan 8.190 nan 0.000 0.446 142 P HA -0.206 nan 4.420 nan 0.000 0.216 142 P C 1.716 179.094 177.300 0.130 0.000 1.153 142 P CA 2.117 65.297 63.100 0.134 0.000 0.858 142 P CB -0.189 31.548 31.700 0.060 0.000 0.789 143 A N -0.451 122.462 122.820 0.155 0.000 1.859 143 A HA -0.300 4.020 4.320 -0.001 0.000 0.218 143 A C 2.311 179.991 177.584 0.160 0.000 1.209 143 A CA 2.370 54.491 52.037 0.140 0.000 0.639 143 A CB -2.137 16.961 19.000 0.163 0.000 0.835 143 A HN 0.277 nan 8.150 nan 0.000 0.450 144 Y N 1.210 121.620 120.300 0.183 0.000 2.069 144 Y HA -0.288 4.262 4.550 -0.001 0.000 0.278 144 Y C 2.059 178.118 175.900 0.265 0.000 1.175 144 Y CA 2.076 60.317 58.100 0.235 0.000 1.134 144 Y CB -0.519 38.078 38.460 0.229 0.000 0.965 144 Y HN 0.344 nan 8.280 nan 0.000 0.498 145 L N 1.239 122.435 121.223 -0.045 0.000 2.054 145 L HA -0.276 4.064 4.340 -0.001 0.000 0.220 145 L C 2.293 178.959 176.870 -0.341 0.000 1.081 145 L CA 2.690 57.405 54.840 -0.208 0.000 0.780 145 L CB -1.664 40.384 42.059 -0.019 0.000 0.893 145 L HN 0.634 nan 8.230 nan 0.000 0.438 146 L N 0.230 121.346 121.223 -0.178 0.000 1.990 146 L HA -0.283 4.057 4.340 -0.001 0.000 0.213 146 L C 2.796 179.572 176.870 -0.156 0.000 1.072 146 L CA 2.802 57.561 54.840 -0.135 0.000 0.755 146 L CB -1.362 40.676 42.059 -0.035 0.000 0.889 146 L HN 0.502 nan 8.230 nan 0.000 0.432 147 F N 1.513 121.306 119.950 -0.262 0.000 2.063 147 F HA -0.400 4.126 4.527 -0.001 0.000 0.297 147 F C 2.847 178.514 175.800 -0.222 0.000 1.099 147 F CA 2.784 60.657 58.000 -0.211 0.000 1.220 147 F CB -0.715 38.157 39.000 -0.213 0.000 0.972 147 F HN 0.435 nan 8.300 nan 0.000 0.487 148 Q N 1.266 120.556 119.800 -0.849 0.000 2.133 148 Q HA -0.287 4.052 4.340 -0.001 0.000 0.208 148 Q C 2.235 177.998 176.000 -0.395 0.000 0.991 148 Q CA 2.003 57.388 55.803 -0.698 0.000 0.867 148 Q CB -0.772 27.740 28.738 -0.376 0.000 0.911 148 Q HN 0.619 nan 8.270 nan 0.000 0.417 149 A N 1.683 124.298 122.820 -0.342 0.000 1.863 149 A HA -0.258 4.062 4.320 -0.001 0.000 0.218 149 A C 2.153 179.634 177.584 -0.172 0.000 1.233 149 A CA 2.022 53.908 52.037 -0.252 0.000 0.655 149 A CB -1.214 17.665 19.000 -0.201 0.000 0.839 149 A HN 0.542 nan 8.150 nan 0.000 0.454 150 L N -0.883 120.239 121.223 -0.169 0.000 1.994 150 L HA -0.080 4.260 4.340 -0.001 0.000 0.208 150 L C 2.120 178.903 176.870 -0.145 0.000 1.071 150 L CA 2.768 57.542 54.840 -0.109 0.000 0.745 150 L CB -0.682 41.349 42.059 -0.046 0.000 0.892 150 L HN 0.488 nan 8.230 nan 0.000 0.431 151 R N -0.571 119.740 120.500 -0.316 0.000 1.371 151 R HA 0.138 4.477 4.340 -0.001 0.000 0.100 151 R C 2.125 178.300 176.300 -0.208 0.000 1.357 151 R CA 1.256 57.177 56.100 -0.298 0.000 1.953 151 R CB -0.961 29.032 30.300 -0.512 0.000 0.918 151 R HN 0.472 nan 8.270 nan 0.000 0.642 152 S N -1.222 114.319 115.700 -0.265 0.000 2.287 152 S HA -0.335 4.135 4.470 -0.001 0.000 0.522 152 S C 1.731 176.373 174.600 0.070 0.000 0.946 152 S CA 2.295 60.484 58.200 -0.019 0.000 3.250 152 S CB -1.175 62.068 63.200 0.071 0.000 2.279 152 S HN 0.377 nan 8.310 nan 0.000 0.548 153 F N 0.856 120.734 119.950 -0.120 0.000 2.085 153 F HA 0.138 4.665 4.527 -0.001 0.000 0.284 153 F C 3.043 178.795 175.800 -0.080 0.000 1.127 153 F CA 1.589 59.544 58.000 -0.075 0.000 1.164 153 F CB -1.557 37.406 39.000 -0.062 0.000 1.035 153 F HN 0.275 nan 8.300 nan 0.000 0.481 154 T N -0.745 113.896 114.554 0.145 0.000 2.635 154 T HA -0.226 4.124 4.350 -0.001 0.000 0.267 154 T C -0.211 174.479 174.700 -0.017 0.000 1.040 154 T CA 1.742 63.862 62.100 0.035 0.000 1.156 154 T CB -0.900 67.964 68.868 -0.007 0.000 0.863 154 T HN 0.271 nan 8.240 nan 0.000 0.430 155 D N 0.424 120.801 120.400 -0.039 0.000 3.082 155 D HA -0.011 4.628 4.640 -0.001 0.000 0.234 155 D C 0.981 177.247 176.300 -0.056 0.000 1.159 155 D CA 0.567 54.534 54.000 -0.054 0.000 0.875 155 D CB -1.362 39.411 40.800 -0.045 0.000 0.946 155 D HN 0.535 nan 8.370 nan 0.000 0.411 156 G N 0.646 109.418 108.800 -0.046 0.000 3.284 156 G HA2 -0.495 3.465 3.960 -0.001 0.000 0.351 156 G HA3 -0.495 3.465 3.960 -0.001 0.000 0.351 156 G C 1.250 176.127 174.900 -0.037 0.000 1.232 156 G CA 1.152 46.234 45.100 -0.030 0.000 1.001 156 G HN 0.448 nan 8.290 nan 0.000 0.639 157 M N 0.557 120.116 119.600 -0.069 0.000 2.142 157 M HA 0.298 4.778 4.480 -0.001 0.000 0.256 157 M C 1.054 177.240 176.300 -0.190 0.000 1.098 157 M CA 1.984 57.190 55.300 -0.156 0.000 1.151 157 M CB -0.223 32.248 32.600 -0.215 0.000 1.299 157 M HN 1.226 nan 8.290 nan 0.000 0.431 158 S N -0.185 115.414 115.700 -0.169 0.000 2.467 158 S HA 0.397 4.866 4.470 -0.001 0.000 0.320 158 S C -0.997 173.545 174.600 -0.096 0.000 0.940 158 S CA -0.933 57.196 58.200 -0.119 0.000 0.896 158 S CB 0.598 63.717 63.200 -0.134 0.000 1.172 158 S HN 0.328 nan 8.310 nan 0.000 0.450 159 L N 2.325 123.510 121.223 -0.064 0.000 3.035 159 L HA 0.437 4.776 4.340 -0.001 0.000 0.338 159 L C 0.312 177.164 176.870 -0.030 0.000 1.292 159 L CA 0.371 55.182 54.840 -0.047 0.000 0.764 159 L CB 0.869 42.902 42.059 -0.044 0.000 1.187 159 L HN 0.987 nan 8.230 nan 0.000 0.574 160 T N 0.305 114.826 114.554 -0.054 0.000 2.571 160 T HA -0.099 4.250 4.350 -0.001 0.000 0.239 160 T C 1.086 175.769 174.700 -0.029 0.000 1.092 160 T CA 1.733 63.789 62.100 -0.073 0.000 1.546 160 T CB -0.203 68.561 68.868 -0.174 0.000 1.090 160 T HN 0.657 nan 8.240 nan 0.000 0.510 161 K N 4.096 124.521 120.400 0.042 0.000 2.493 161 K HA 0.215 4.535 4.320 -0.001 0.000 0.201 161 K C -1.269 175.428 176.600 0.162 0.000 1.355 161 K CA -0.192 56.159 56.287 0.107 0.000 0.953 161 K CB 0.144 32.739 32.500 0.159 0.000 1.316 161 K HN 0.292 nan 8.250 nan 0.000 0.522 162 P HA -0.143 nan 4.420 nan 0.000 0.225 162 P C 0.538 177.915 177.300 0.129 0.000 1.141 162 P CA 1.244 64.471 63.100 0.211 0.000 0.774 162 P CB -0.042 31.816 31.700 0.263 0.000 0.760 163 A N -0.201 122.666 122.820 0.078 0.000 1.827 163 A HA -0.238 4.082 4.320 -0.001 0.000 0.215 163 A C 1.910 179.519 177.584 0.043 0.000 1.212 163 A CA 2.237 54.298 52.037 0.040 0.000 0.624 163 A CB -1.463 17.521 19.000 -0.026 0.000 0.853 163 A HN 0.053 nan 8.150 nan 0.000 0.450 164 M N -0.431 119.200 119.600 0.052 0.000 2.426 164 M HA -0.071 4.409 4.480 -0.001 0.000 0.261 164 M C 1.742 178.088 176.300 0.076 0.000 1.068 164 M CA 0.805 56.165 55.300 0.100 0.000 1.066 164 M CB -1.281 31.417 32.600 0.163 0.000 1.399 164 M HN 0.314 nan 8.290 nan 0.000 0.449 165 V N 0.481 120.403 119.914 0.013 0.000 2.259 165 V HA -0.201 3.918 4.120 -0.001 0.000 0.226 165 V C 1.989 178.043 176.094 -0.067 0.000 1.016 165 V CA 1.977 64.210 62.300 -0.112 0.000 1.000 165 V CB -0.373 31.286 31.823 -0.275 0.000 0.647 165 V HN 0.480 nan 8.190 nan 0.000 0.466 166 I N 0.445 120.990 120.570 -0.042 0.000 3.241 166 I HA -0.031 4.139 4.170 -0.001 0.000 0.280 166 I C 1.708 177.814 176.117 -0.019 0.000 1.320 166 I CA 1.310 62.581 61.300 -0.048 0.000 1.413 166 I CB -1.272 36.695 38.000 -0.055 0.000 1.060 166 I HN 0.490 nan 8.210 nan 0.000 0.500 167 G N 0.952 109.754 108.800 0.004 0.000 2.707 167 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.192 167 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.192 167 G C 1.183 176.071 174.900 -0.021 0.000 1.471 167 G CA 0.519 45.603 45.100 -0.026 0.000 0.865 167 G HN 0.294 nan 8.290 nan 0.000 0.529 168 F N 0.486 120.418 119.950 -0.030 0.000 2.147 168 F HA -0.132 4.394 4.527 -0.001 0.000 0.301 168 F C 2.697 178.475 175.800 -0.037 0.000 1.084 168 F CA 0.834 58.816 58.000 -0.031 0.000 1.268 168 F CB -0.095 38.889 39.000 -0.025 0.000 1.009 168 F HN -0.010 nan 8.300 nan 0.000 0.486 169 I N -0.448 120.208 120.570 0.144 0.000 2.202 169 I HA -0.175 3.994 4.170 -0.001 0.000 0.242 169 I C 2.764 178.896 176.117 0.026 0.000 1.091 169 I CA 1.520 62.851 61.300 0.052 0.000 1.368 169 I CB -2.011 35.975 38.000 -0.022 0.000 1.058 169 I HN 0.148 nan 8.210 nan 0.000 0.410 170 G N 1.930 110.728 108.800 -0.003 0.000 2.587 170 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.217 170 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.217 170 G C 1.805 176.701 174.900 -0.007 0.000 1.240 170 G CA 1.239 46.328 45.100 -0.019 0.000 0.794 170 G HN 0.486 nan 8.290 nan 0.000 0.580 171 L N -0.058 121.148 121.223 -0.028 0.000 2.034 171 L HA -0.151 4.188 4.340 -0.001 0.000 0.217 171 L C 2.539 179.409 176.870 -0.000 0.000 1.077 171 L CA 1.992 56.807 54.840 -0.041 0.000 0.769 171 L CB -0.506 41.500 42.059 -0.089 0.000 0.890 171 L HN 0.258 nan 8.230 nan 0.000 0.435 172 L N 0.396 121.642 121.223 0.038 0.000 1.941 172 L HA -0.283 4.057 4.340 -0.001 0.000 0.224 172 L C 2.677 179.578 176.870 0.052 0.000 1.081 172 L CA 2.730 57.604 54.840 0.056 0.000 0.784 172 L CB -1.071 41.034 42.059 0.076 0.000 0.894 172 L HN 0.502 nan 8.230 nan 0.000 0.436 173 L N 0.097 121.356 121.223 0.060 0.000 1.976 173 L HA -0.376 3.964 4.340 -0.001 0.000 0.223 173 L C 2.386 179.300 176.870 0.072 0.000 1.081 173 L CA 2.255 57.142 54.840 0.079 0.000 0.784 173 L CB -1.136 40.983 42.059 0.101 0.000 0.896 173 L HN 0.491 nan 8.230 nan 0.000 0.438 174 N N -0.012 118.716 118.700 0.047 0.000 2.106 174 N HA -0.305 4.434 4.740 -0.001 0.000 0.200 174 N C 1.861 177.412 175.510 0.068 0.000 1.014 174 N CA 2.032 55.105 53.050 0.038 0.000 0.891 174 N CB -0.308 38.184 38.487 0.008 0.000 1.069 174 N HN 0.262 nan 8.380 nan 0.000 0.490 175 I N 1.167 121.774 120.570 0.061 0.000 2.094 175 I HA -0.307 3.863 4.170 -0.001 0.000 0.236 175 I C -0.690 175.521 176.117 0.156 0.000 1.016 175 I CA 1.805 63.155 61.300 0.083 0.000 1.294 175 I CB -1.577 36.452 38.000 0.048 0.000 1.006 175 I HN 0.283 nan 8.210 nan 0.000 0.397 176 P HA -0.144 nan 4.420 nan 0.000 0.217 176 P C 1.913 179.428 177.300 0.358 0.000 1.151 176 P CA 1.450 64.731 63.100 0.301 0.000 0.828 176 P CB -0.126 31.715 31.700 0.235 0.000 0.788 177 L N 0.106 121.467 121.223 0.230 0.000 2.079 177 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 177 L C 2.359 179.392 176.870 0.271 0.000 1.081 177 L CA 1.674 56.636 54.840 0.202 0.000 0.752 177 L CB -1.955 40.123 42.059 0.031 0.000 0.896 177 L HN 0.098 nan 8.230 nan 0.000 0.433 178 N N -0.993 117.837 118.700 0.216 0.000 2.048 178 N HA -0.232 4.508 4.740 -0.001 0.000 0.193 178 N C 1.555 177.231 175.510 0.275 0.000 1.061 178 N CA 1.470 54.648 53.050 0.214 0.000 0.849 178 N CB -0.451 38.133 38.487 0.161 0.000 1.044 178 N HN 0.365 nan 8.380 nan 0.000 0.429 179 W N 2.863 124.221 121.300 0.097 0.000 2.312 179 W HA -0.303 4.356 4.660 -0.001 0.000 0.351 179 W C 2.245 178.780 176.519 0.026 0.000 1.454 179 W CA 2.193 59.575 57.345 0.061 0.000 1.340 179 W CB -1.142 28.343 29.460 0.042 0.000 1.070 179 W HN 0.219 nan 8.180 nan 0.000 0.472 180 I N -0.869 119.486 120.570 -0.358 0.000 2.248 180 I HA -0.334 3.836 4.170 -0.001 0.000 0.248 180 I C 2.261 178.031 176.117 -0.577 0.000 1.107 180 I CA 2.191 63.012 61.300 -0.798 0.000 1.373 180 I CB -0.470 37.251 38.000 -0.464 0.000 1.055 180 I HN 0.102 nan 8.210 nan 0.000 0.418 181 F N 0.115 119.964 119.950 -0.168 0.000 2.164 181 F HA -0.026 4.501 4.527 -0.001 0.000 0.287 181 F C 2.319 178.092 175.800 -0.045 0.000 1.086 181 F CA 1.197 59.138 58.000 -0.098 0.000 1.249 181 F CB -0.863 38.099 39.000 -0.063 0.000 1.059 181 F HN -0.236 nan 8.300 nan 0.000 0.490 182 V N -1.226 118.791 119.914 0.171 0.000 2.764 182 V HA -0.319 3.801 4.120 -0.001 0.000 0.261 182 V C 1.094 177.273 176.094 0.142 0.000 1.108 182 V CA 2.433 64.810 62.300 0.128 0.000 1.129 182 V CB -1.006 30.896 31.823 0.132 0.000 0.701 182 V HN 0.655 nan 8.190 nan 0.000 0.495 183 Y N -2.536 117.689 120.300 -0.125 0.000 3.065 183 Y HA 0.155 4.704 4.550 -0.001 0.000 0.174 183 Y C 2.146 177.816 175.900 -0.384 0.000 1.014 183 Y CA 0.451 58.437 58.100 -0.190 0.000 1.733 183 Y CB -0.289 38.103 38.460 -0.112 0.000 1.343 183 Y HN 0.095 nan 8.280 nan 0.000 0.331 184 G N 2.710 111.177 108.800 -0.555 0.000 3.129 184 G HA2 -0.454 3.506 3.960 -0.001 0.000 0.333 184 G HA3 -0.454 3.506 3.960 -0.001 0.000 0.333 184 G C 0.376 174.595 174.900 -1.135 0.000 1.524 184 G CA 1.851 46.257 45.100 -1.157 0.000 1.574 184 G HN 0.448 nan 8.290 nan 0.000 0.870 185 K N -1.724 118.121 120.400 -0.925 0.000 6.703 185 K HA -0.125 4.194 4.320 -0.001 0.000 0.800 185 K C -0.738 175.412 176.600 -0.750 0.000 2.378 185 K CA 1.054 56.901 56.287 -0.734 0.000 1.724 185 K CB -1.571 30.561 32.500 -0.614 0.000 2.267 185 K HN 0.829 nan 8.250 nan 0.000 0.261 186 F N 2.217 121.914 119.950 -0.423 0.000 2.762 186 F HA 0.178 4.705 4.527 -0.001 0.000 0.318 186 F C 1.109 176.755 175.800 -0.257 0.000 1.249 186 F CA -0.055 57.757 58.000 -0.313 0.000 0.919 186 F CB 1.178 39.983 39.000 -0.326 0.000 1.512 186 F HN 0.748 nan 8.300 nan 0.000 0.492 187 G N 0.734 109.484 108.800 -0.084 0.000 3.751 187 G HA2 0.397 4.356 3.960 -0.001 0.000 0.216 187 G HA3 0.397 4.356 3.960 -0.001 0.000 0.216 187 G C -0.379 174.452 174.900 -0.114 0.000 0.911 187 G CA 0.349 45.400 45.100 -0.081 0.000 0.869 187 G HN 0.813 nan 8.290 nan 0.000 0.462 188 A N 0.039 122.728 122.820 -0.219 0.000 2.581 188 A HA 0.645 4.965 4.320 -0.001 0.000 0.309 188 A C -3.480 173.930 177.584 -0.289 0.000 1.022 188 A CA -0.521 51.403 52.037 -0.189 0.000 0.833 188 A CB 1.501 20.446 19.000 -0.092 0.000 1.208 188 A HN 0.272 nan 8.150 nan 0.000 0.388 189 P HA 0.579 nan 4.420 nan 0.000 0.301 189 P C -0.831 176.487 177.300 0.030 0.000 1.338 189 P CA 0.055 63.079 63.100 -0.128 0.000 0.834 189 P CB 1.845 33.477 31.700 -0.114 0.000 0.967 190 E N 2.240 122.478 120.200 0.064 0.000 2.568 190 E HA 0.504 4.853 4.350 -0.001 0.000 0.242 190 E C -0.254 176.374 176.600 0.045 0.000 0.945 190 E CA -0.877 55.565 56.400 0.070 0.000 0.918 190 E CB 0.448 30.202 29.700 0.089 0.000 1.386 190 E HN 0.286 nan 8.360 nan 0.000 0.426 191 L N -0.975 120.256 121.223 0.013 0.000 2.267 191 L HA 0.582 4.922 4.340 -0.001 0.000 0.264 191 L C 1.222 178.089 176.870 -0.004 0.000 1.021 191 L CA 0.081 54.903 54.840 -0.030 0.000 0.861 191 L CB 0.987 43.026 42.059 -0.033 0.000 1.443 191 L HN 0.557 nan 8.230 nan 0.000 0.475 192 G N 0.041 108.834 108.800 -0.011 0.000 2.604 192 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.216 192 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.216 192 G C 1.109 176.023 174.900 0.024 0.000 1.265 192 G CA 0.828 45.938 45.100 0.016 0.000 0.804 192 G HN 0.975 nan 8.290 nan 0.000 0.579 193 G N 0.119 108.932 108.800 0.021 0.000 2.469 193 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.219 193 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.219 193 G C 1.810 176.700 174.900 -0.016 0.000 1.150 193 G CA 1.714 46.825 45.100 0.018 0.000 0.763 193 G HN 0.447 nan 8.290 nan 0.000 0.561 194 V N 1.343 121.246 119.914 -0.019 0.000 2.594 194 V HA -0.015 4.104 4.120 -0.001 0.000 0.253 194 V C 2.882 178.961 176.094 -0.026 0.000 1.069 194 V CA 1.665 63.938 62.300 -0.046 0.000 1.082 194 V CB -1.143 30.671 31.823 -0.014 0.000 0.680 194 V HN 0.423 nan 8.190 nan 0.000 0.469 195 G N 0.516 109.324 108.800 0.013 0.000 2.607 195 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.215 195 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.215 195 G C 1.913 176.827 174.900 0.023 0.000 1.275 195 G CA 1.155 46.283 45.100 0.047 0.000 0.842 195 G HN 0.656 nan 8.290 nan 0.000 0.555 196 C N 1.168 120.485 119.300 0.029 0.000 2.397 196 C HA -0.021 4.438 4.460 -0.001 0.000 0.279 196 C C 2.909 177.892 174.990 -0.010 0.000 1.206 196 C CA 1.173 60.204 59.018 0.022 0.000 1.818 196 C CB -1.483 26.279 27.740 0.037 0.000 2.087 196 C HN 0.440 nan 8.230 nan 0.000 0.488 197 G N 0.464 109.240 108.800 -0.040 0.000 2.484 197 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.215 197 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.215 197 G C 1.713 176.542 174.900 -0.118 0.000 1.219 197 G CA 1.388 46.430 45.100 -0.097 0.000 0.791 197 G HN 0.509 nan 8.290 nan 0.000 0.550 198 V N 1.889 121.721 119.914 -0.136 0.000 2.282 198 V HA -0.240 3.880 4.120 -0.001 0.000 0.249 198 V C 3.407 179.374 176.094 -0.212 0.000 1.057 198 V CA 2.351 64.528 62.300 -0.205 0.000 1.032 198 V CB -1.008 30.690 31.823 -0.207 0.000 0.645 198 V HN 0.514 nan 8.190 nan 0.000 0.447 199 A N -0.625 122.121 122.820 -0.124 0.000 1.958 199 A HA -0.316 4.003 4.320 -0.001 0.000 0.221 199 A C 2.358 179.904 177.584 -0.063 0.000 1.178 199 A CA 2.832 54.818 52.037 -0.084 0.000 0.642 199 A CB -1.073 17.920 19.000 -0.011 0.000 0.816 199 A HN 0.555 nan 8.150 nan 0.000 0.453 200 T N 0.168 114.696 114.554 -0.044 0.000 2.746 200 T HA -0.009 4.340 4.350 -0.001 0.000 0.267 200 T C 2.238 176.970 174.700 0.053 0.000 1.039 200 T CA 1.601 63.702 62.100 0.001 0.000 1.142 200 T CB -0.528 68.340 68.868 0.001 0.000 0.866 200 T HN 0.665 nan 8.240 nan 0.000 0.444 201 A N 1.377 124.206 122.820 0.015 0.000 1.917 201 A HA -0.091 4.229 4.320 -0.001 0.000 0.219 201 A C 2.235 179.895 177.584 0.127 0.000 1.182 201 A CA 1.458 53.563 52.037 0.114 0.000 0.633 201 A CB -0.885 18.107 19.000 -0.014 0.000 0.819 201 A HN 0.564 nan 8.150 nan 0.000 0.448 202 I N -0.360 120.184 120.570 -0.042 0.000 2.756 202 I HA -0.170 3.999 4.170 -0.001 0.000 0.262 202 I C 2.091 178.293 176.117 0.142 0.000 1.225 202 I CA 0.458 61.728 61.300 -0.051 0.000 1.472 202 I CB -0.212 37.669 38.000 -0.198 0.000 1.094 202 I HN 0.164 nan 8.210 nan 0.000 0.454 203 V N 0.941 120.917 119.914 0.103 0.000 2.221 203 V HA -0.316 3.803 4.120 -0.001 0.000 0.242 203 V C 2.350 178.488 176.094 0.074 0.000 1.041 203 V CA 2.188 64.535 62.300 0.078 0.000 0.995 203 V CB -1.118 30.733 31.823 0.047 0.000 0.635 203 V HN 0.528 nan 8.190 nan 0.000 0.448 204 Y N -0.255 120.056 120.300 0.019 0.000 2.446 204 Y HA -0.277 4.273 4.550 -0.001 0.000 0.287 204 Y C 2.051 177.985 175.900 0.057 0.000 1.159 204 Y CA 1.233 59.339 58.100 0.011 0.000 1.297 204 Y CB -0.776 37.732 38.460 0.080 0.000 0.974 204 Y HN 0.413 nan 8.280 nan 0.000 0.557 205 W N 2.473 123.389 121.300 -0.641 0.000 2.348 205 W HA -0.221 4.438 4.660 -0.001 0.000 0.324 205 W C 2.547 178.857 176.519 -0.349 0.000 1.209 205 W CA 3.196 60.167 57.345 -0.622 0.000 1.275 205 W CB -0.886 28.342 29.460 -0.385 0.000 1.175 205 W HN 0.243 nan 8.180 nan 0.000 0.461 206 I N -0.333 120.075 120.570 -0.269 0.000 2.145 206 I HA -0.409 3.761 4.170 -0.001 0.000 0.244 206 I C 2.236 178.097 176.117 -0.427 0.000 1.075 206 I CA 2.518 63.529 61.300 -0.482 0.000 1.332 206 I CB -1.091 36.828 38.000 -0.135 0.000 1.033 206 I HN 0.185 nan 8.210 nan 0.000 0.410 207 M N 1.413 120.806 119.600 -0.345 0.000 2.082 207 M HA -0.183 4.297 4.480 -0.001 0.000 0.258 207 M C 2.557 178.755 176.300 -0.171 0.000 1.069 207 M CA 2.509 57.557 55.300 -0.418 0.000 1.102 207 M CB -0.755 31.395 32.600 -0.751 0.000 1.336 207 M HN 0.525 nan 8.290 nan 0.000 0.404 208 L N 0.367 121.474 121.223 -0.195 0.000 2.013 208 L HA -0.225 4.114 4.340 -0.001 0.000 0.212 208 L C 2.417 179.106 176.870 -0.301 0.000 1.073 208 L CA 1.412 56.145 54.840 -0.179 0.000 0.753 208 L CB -0.685 41.234 42.059 -0.232 0.000 0.890 208 L HN 0.323 nan 8.230 nan 0.000 0.432 209 L N 0.333 121.299 121.223 -0.428 0.000 1.976 209 L HA -0.271 4.068 4.340 -0.001 0.000 0.223 209 L C 2.675 179.385 176.870 -0.267 0.000 1.081 209 L CA 2.407 56.998 54.840 -0.416 0.000 0.784 209 L CB -1.045 40.640 42.059 -0.624 0.000 0.896 209 L HN 0.445 nan 8.230 nan 0.000 0.438 210 L N -0.326 120.728 121.223 -0.282 0.000 2.079 210 L HA -0.205 4.135 4.340 -0.001 0.000 0.210 210 L C 2.576 179.110 176.870 -0.560 0.000 1.081 210 L CA 1.193 55.920 54.840 -0.188 0.000 0.752 210 L CB -2.319 39.739 42.059 -0.003 0.000 0.896 210 L HN 0.386 nan 8.230 nan 0.000 0.433 211 L N 0.645 121.251 121.223 -1.028 0.000 1.924 211 L HA -0.232 4.107 4.340 -0.001 0.000 0.237 211 L C 2.480 178.861 176.870 -0.814 0.000 1.090 211 L CA 1.747 55.461 54.840 -1.877 0.000 0.829 211 L CB -1.376 40.267 42.059 -0.694 0.000 0.903 211 L HN 0.158 nan 8.230 nan 0.000 0.430 212 L N -0.874 120.141 121.223 -0.347 0.000 2.026 212 L HA -0.312 4.027 4.340 -0.001 0.000 0.231 212 L C 2.091 178.925 176.870 -0.060 0.000 1.095 212 L CA 2.519 57.277 54.840 -0.136 0.000 0.810 212 L CB -1.146 40.861 42.059 -0.087 0.000 0.909 212 L HN 0.539 nan 8.230 nan 0.000 0.444 213 F N -0.488 119.383 119.950 -0.131 0.000 2.187 213 F HA -0.389 4.137 4.527 -0.001 0.000 0.307 213 F C 2.284 178.169 175.800 0.142 0.000 1.337 213 F CA 2.360 60.357 58.000 -0.005 0.000 1.245 213 F CB -1.210 37.781 39.000 -0.016 0.000 0.909 213 F HN 0.160 nan 8.300 nan 0.000 0.578 214 Y N -0.606 119.904 120.300 0.349 0.000 2.264 214 Y HA -0.352 4.198 4.550 -0.001 0.000 0.282 214 Y C 2.098 178.117 175.900 0.198 0.000 1.204 214 Y CA 0.988 59.260 58.100 0.285 0.000 1.228 214 Y CB -0.319 38.376 38.460 0.391 0.000 0.971 214 Y HN 0.302 nan 8.280 nan 0.000 0.538 215 I N -1.128 119.660 120.570 0.364 0.000 2.490 215 I HA -0.163 4.007 4.170 -0.001 0.000 0.234 215 I C 1.894 178.052 176.117 0.069 0.000 1.066 215 I CA 1.187 62.657 61.300 0.283 0.000 1.405 215 I CB -0.724 37.563 38.000 0.480 0.000 1.191 215 I HN -0.159 nan 8.210 nan 0.000 0.433 216 V N 0.158 120.082 119.914 0.015 0.000 3.241 216 V HA -0.160 3.959 4.120 -0.001 0.000 0.269 216 V C 2.315 178.343 176.094 -0.111 0.000 1.151 216 V CA 1.828 64.103 62.300 -0.042 0.000 1.158 216 V CB -1.511 30.283 31.823 -0.048 0.000 0.764 216 V HN 0.595 nan 8.190 nan 0.000 0.508 217 T N -1.062 113.388 114.554 -0.173 0.000 2.976 217 T HA -0.062 4.287 4.350 -0.001 0.000 0.257 217 T C 1.229 175.807 174.700 -0.203 0.000 1.051 217 T CA 1.032 62.969 62.100 -0.272 0.000 1.141 217 T CB -0.212 68.318 68.868 -0.563 0.000 0.881 217 T HN 0.522 nan 8.240 nan 0.000 0.461 218 S N 1.609 117.209 115.700 -0.167 0.000 3.229 218 S HA -0.217 4.253 4.470 -0.001 0.000 0.319 218 S C 0.987 175.479 174.600 -0.180 0.000 0.897 218 S CA 0.802 58.899 58.200 -0.172 0.000 1.333 218 S CB -1.111 61.994 63.200 -0.159 0.000 0.914 218 S HN 0.730 nan 8.310 nan 0.000 0.498 219 K N 2.070 122.346 120.400 -0.206 0.000 2.448 219 K HA -0.209 4.110 4.320 -0.001 0.000 0.200 219 K C 1.684 178.216 176.600 -0.114 0.000 1.045 219 K CA 2.177 58.373 56.287 -0.151 0.000 0.933 219 K CB -0.500 31.915 32.500 -0.142 0.000 0.755 219 K HN 0.867 nan 8.250 nan 0.000 0.481 220 R N -0.898 119.526 120.500 -0.127 0.000 2.342 220 R HA 0.323 4.663 4.340 -0.001 0.000 0.204 220 R C -0.193 176.057 176.300 -0.084 0.000 0.882 220 R CA -0.140 55.906 56.100 -0.090 0.000 1.041 220 R CB 0.065 30.313 30.300 -0.087 0.000 1.188 220 R HN 0.046 nan 8.270 nan 0.000 0.598 221 L N -0.874 120.260 121.223 -0.149 0.000 2.301 221 L HA 0.756 5.095 4.340 -0.001 0.000 0.249 221 L C 0.122 176.810 176.870 -0.303 0.000 1.069 221 L CA -0.715 53.977 54.840 -0.247 0.000 0.865 221 L CB 1.373 43.151 42.059 -0.469 0.000 1.467 221 L HN 0.019 nan 8.230 nan 0.000 0.419 222 A N -1.680 120.860 122.820 -0.467 0.000 2.290 222 A HA 0.362 4.682 4.320 -0.001 0.000 0.204 222 A C -0.334 177.083 177.584 -0.278 0.000 2.001 222 A CA 0.358 52.275 52.037 -0.200 0.000 1.643 222 A CB -0.508 18.516 19.000 0.039 0.000 1.293 222 A HN 1.007 nan 8.150 nan 0.000 0.474 223 H N 0.139 119.207 119.070 -0.003 0.000 2.207 223 H HA -0.114 4.441 4.556 -0.001 0.000 0.325 223 H C 0.444 175.800 175.328 0.046 0.000 0.959 223 H CA 0.715 56.772 56.048 0.014 0.000 1.085 223 H CB -2.806 26.970 29.762 0.024 0.000 1.582 223 H HN 0.957 nan 8.280 nan 0.000 0.361 224 V N -1.850 118.109 119.914 0.074 0.000 4.247 224 V HA 0.568 4.687 4.120 -0.001 0.000 0.284 224 V C 1.041 177.213 176.094 0.131 0.000 1.349 224 V CA -0.627 61.720 62.300 0.078 0.000 0.885 224 V CB 1.311 33.154 31.823 0.033 0.000 1.296 224 V HN 0.389 nan 8.190 nan 0.000 0.458 225 K N -0.980 119.525 120.400 0.175 0.000 2.488 225 K HA 0.801 5.120 4.320 -0.001 0.000 0.255 225 K C -0.317 176.382 176.600 0.166 0.000 1.036 225 K CA -0.109 56.362 56.287 0.306 0.000 0.990 225 K CB 1.243 33.858 32.500 0.191 0.000 1.304 225 K HN 0.536 nan 8.250 nan 0.000 0.505 226 V N -2.292 117.718 119.914 0.159 0.000 6.957 226 V HA -0.042 4.077 4.120 -0.001 0.000 0.063 226 V C -1.403 174.737 176.094 0.076 0.000 0.896 226 V CA -0.276 62.084 62.300 0.100 0.000 0.694 226 V CB -0.554 31.366 31.823 0.163 0.000 0.632 226 V HN 0.630 nan 8.190 nan 0.000 0.762 227 F N 3.725 123.681 119.950 0.009 0.000 2.405 227 F HA 0.625 5.152 4.527 -0.001 0.000 0.355 227 F C 0.466 176.290 175.800 0.041 0.000 1.121 227 F CA -0.061 57.953 58.000 0.023 0.000 1.112 227 F CB 1.068 40.067 39.000 -0.001 0.000 1.126 227 F HN 0.443 nan 8.300 nan 0.000 0.481 228 E N 1.542 121.905 120.200 0.272 0.000 2.423 228 E HA 0.805 5.155 4.350 -0.001 0.000 0.269 228 E C -1.222 175.684 176.600 0.510 0.000 0.948 228 E CA -0.941 55.839 56.400 0.633 0.000 0.802 228 E CB 2.484 32.556 29.700 0.621 0.000 1.339 228 E HN 0.487 nan 8.360 nan 0.000 0.445 229 T N -2.366 112.486 114.554 0.496 0.000 2.665 229 T HA 0.438 4.787 4.350 -0.001 0.000 0.303 229 T C 0.106 174.918 174.700 0.186 0.000 1.334 229 T CA -0.727 61.552 62.100 0.299 0.000 1.011 229 T CB 0.120 69.170 68.868 0.304 0.000 1.573 229 T HN 0.511 nan 8.240 nan 0.000 0.492 230 F N 0.476 120.402 119.950 -0.040 0.000 1.996 230 F HA 0.749 5.276 4.527 -0.001 0.000 0.237 230 F C 0.504 176.241 175.800 -0.105 0.000 1.004 230 F CA -0.180 57.799 58.000 -0.034 0.000 1.200 230 F CB -0.699 38.283 39.000 -0.030 0.000 1.887 230 F HN 0.957 nan 8.300 nan 0.000 0.532 231 H N -1.451 117.102 119.070 -0.863 0.000 2.898 231 H HA 0.170 4.725 4.556 -0.001 0.000 0.259 231 H C -0.309 174.788 175.328 -0.384 0.000 1.324 231 H CA -0.175 55.369 56.048 -0.839 0.000 1.474 231 H CB 1.214 30.694 29.762 -0.470 0.000 1.873 231 H HN 0.777 nan 8.280 nan 0.000 0.482 232 K N 1.221 121.553 120.400 -0.113 0.000 2.485 232 K HA 0.226 4.546 4.320 -0.001 0.000 0.200 232 K C -1.706 174.858 176.600 -0.060 0.000 1.352 232 K CA 0.189 56.458 56.287 -0.029 0.000 0.953 232 K CB 0.195 32.710 32.500 0.025 0.000 1.387 232 K HN 0.165 nan 8.250 nan 0.000 0.512 233 P HA 0.017 nan 4.420 nan 0.000 0.220 233 P C 0.955 178.148 177.300 -0.179 0.000 1.154 233 P CA 0.786 63.827 63.100 -0.098 0.000 0.830 233 P CB 0.210 31.869 31.700 -0.069 0.000 0.803 234 Q N -0.410 119.191 119.800 -0.330 0.000 2.230 234 Q HA -0.043 4.297 4.340 -0.001 0.000 0.202 234 Q C -0.833 175.003 176.000 -0.273 0.000 0.963 234 Q CA 1.487 57.000 55.803 -0.483 0.000 0.866 234 Q CB -1.153 26.898 28.738 -1.144 0.000 0.931 234 Q HN 0.218 nan 8.270 nan 0.000 0.452 235 P HA -0.036 nan 4.420 nan 0.000 0.245 235 P C 0.159 177.389 177.300 -0.117 0.000 1.212 235 P CA 0.935 63.977 63.100 -0.097 0.000 0.774 235 P CB 0.145 31.814 31.700 -0.051 0.000 0.999 236 K N 0.037 120.360 120.400 -0.129 0.000 2.335 236 K HA 0.011 4.330 4.320 -0.001 0.000 0.195 236 K C 1.788 178.324 176.600 -0.107 0.000 1.058 236 K CA 0.423 56.633 56.287 -0.127 0.000 0.988 236 K CB 0.237 32.672 32.500 -0.109 0.000 0.880 236 K HN -0.064 nan 8.250 nan 0.000 0.513 237 E N 0.113 120.244 120.200 -0.116 0.000 2.371 237 E HA -0.071 4.278 4.350 -0.001 0.000 0.194 237 E C 1.270 177.841 176.600 -0.049 0.000 1.012 237 E CA 0.243 56.586 56.400 -0.096 0.000 0.860 237 E CB 0.315 29.929 29.700 -0.143 0.000 0.811 237 E HN 0.136 nan 8.360 nan 0.000 0.502 238 L N 0.604 121.804 121.223 -0.039 0.000 2.270 238 L HA 0.060 4.399 4.340 -0.001 0.000 0.210 238 L C 1.845 178.826 176.870 0.185 0.000 1.104 238 L CA 0.917 55.803 54.840 0.076 0.000 0.804 238 L CB 0.043 42.143 42.059 0.068 0.000 0.937 238 L HN 0.238 nan 8.230 nan 0.000 0.450 239 I N -1.343 119.210 120.570 -0.029 0.000 3.291 239 I HA -0.141 4.028 4.170 -0.001 0.000 0.279 239 I C 2.374 178.513 176.117 0.038 0.000 1.294 239 I CA 0.547 61.769 61.300 -0.130 0.000 1.428 239 I CB -0.140 37.724 38.000 -0.227 0.000 1.070 239 I HN 0.229 nan 8.210 nan 0.000 0.478 240 R N 0.326 120.857 120.500 0.052 0.000 2.191 240 R HA 0.097 4.436 4.340 -0.001 0.000 0.196 240 R C 2.047 178.394 176.300 0.078 0.000 0.991 240 R CA 0.211 56.335 56.100 0.040 0.000 1.075 240 R CB 0.232 30.527 30.300 -0.007 0.000 1.040 240 R HN 0.150 nan 8.270 nan 0.000 0.526 241 L N 0.318 121.599 121.223 0.096 0.000 2.265 241 L HA -0.073 4.266 4.340 -0.001 0.000 0.215 241 L C 1.473 178.408 176.870 0.109 0.000 1.117 241 L CA 1.504 56.388 54.840 0.074 0.000 0.782 241 L CB -0.294 41.808 42.059 0.073 0.000 0.914 241 L HN 0.130 nan 8.230 nan 0.000 0.441 242 F N -0.691 119.250 119.950 -0.014 0.000 2.138 242 F HA 0.070 4.596 4.527 -0.001 0.000 0.283 242 F C 1.788 177.608 175.800 0.034 0.000 1.100 242 F CA 0.319 58.337 58.000 0.029 0.000 1.189 242 F CB -0.173 38.832 39.000 0.008 0.000 1.060 242 F HN -0.247 nan 8.300 nan 0.000 0.492 243 R N 1.765 122.380 120.500 0.193 0.000 4.432 243 R HA 0.046 4.385 4.340 -0.001 0.000 0.165 243 R C 0.361 176.691 176.300 0.051 0.000 1.929 243 R CA 0.482 56.624 56.100 0.069 0.000 1.469 243 R CB -0.786 29.516 30.300 0.003 0.000 1.368 243 R HN 0.493 nan 8.270 nan 0.000 0.811 244 L N -1.567 119.686 121.223 0.050 0.000 1.264 244 L HA 0.070 4.410 4.340 -0.001 0.000 0.095 244 L C 1.126 177.968 176.870 -0.045 0.000 1.410 244 L CA 1.186 56.017 54.840 -0.014 0.000 1.187 244 L CB -0.836 41.221 42.059 -0.004 0.000 2.452 244 L HN 0.475 nan 8.230 nan 0.000 0.464 245 G N -0.191 108.594 108.800 -0.025 0.000 2.464 245 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.217 245 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.217 245 G C 1.190 176.049 174.900 -0.068 0.000 1.138 245 G CA 0.798 45.848 45.100 -0.083 0.000 0.793 245 G HN 0.374 nan 8.290 nan 0.000 0.539 246 F N 2.224 122.077 119.950 -0.162 0.000 2.113 246 F HA 0.058 4.585 4.527 -0.001 0.000 0.297 246 F C -0.104 175.564 175.800 -0.220 0.000 1.103 246 F CA 0.979 58.884 58.000 -0.157 0.000 1.248 246 F CB -0.429 38.541 39.000 -0.050 0.000 0.999 246 F HN 0.081 nan 8.300 nan 0.000 0.475 247 P HA -0.157 nan 4.420 nan 0.000 0.222 247 P C 1.642 178.957 177.300 0.024 0.000 1.147 247 P CA 1.993 64.991 63.100 -0.170 0.000 0.790 247 P CB -0.150 31.525 31.700 -0.042 0.000 0.780 248 V N -3.313 116.636 119.914 0.060 0.000 2.341 248 V HA 0.042 4.161 4.120 -0.001 0.000 0.240 248 V C 2.241 178.463 176.094 0.213 0.000 1.035 248 V CA 1.127 63.617 62.300 0.316 0.000 1.033 248 V CB -1.950 29.994 31.823 0.203 0.000 0.678 248 V HN 0.009 nan 8.190 nan 0.000 0.464 249 A N 1.518 124.342 122.820 0.007 0.000 1.873 249 A HA -0.276 4.044 4.320 -0.001 0.000 0.219 249 A C 2.537 180.135 177.584 0.023 0.000 1.269 249 A CA 4.034 56.040 52.037 -0.052 0.000 0.671 249 A CB -1.577 17.285 19.000 -0.230 0.000 0.842 249 A HN 1.130 nan 8.150 nan 0.000 0.460 250 A N -0.712 122.009 122.820 -0.164 0.000 1.865 250 A HA 0.144 4.463 4.320 -0.001 0.000 0.217 250 A C 2.499 180.250 177.584 0.278 0.000 1.191 250 A CA 2.854 54.871 52.037 -0.033 0.000 0.623 250 A CB -1.485 17.298 19.000 -0.362 0.000 0.826 250 A HN 1.559 nan 8.150 nan 0.000 0.444 251 A N -0.132 122.921 122.820 0.388 0.000 2.766 251 A HA -0.222 4.098 4.320 -0.001 0.000 0.199 251 A C 2.028 179.621 177.584 0.016 0.000 1.073 251 A CA 1.777 54.103 52.037 0.481 0.000 1.016 251 A CB -1.268 18.333 19.000 1.001 0.000 0.765 251 A HN 0.628 nan 8.150 nan 0.000 0.562 252 L N -1.959 119.350 121.223 0.142 0.000 2.064 252 L HA -0.231 4.108 4.340 -0.001 0.000 0.216 252 L C 2.433 179.216 176.870 -0.145 0.000 1.077 252 L CA 2.399 57.242 54.840 0.005 0.000 0.766 252 L CB -1.008 41.216 42.059 0.276 0.000 0.890 252 L HN 0.606 nan 8.230 nan 0.000 0.435 253 F N -2.718 117.235 119.950 0.004 0.000 2.437 253 F HA -0.087 4.439 4.527 -0.001 0.000 0.288 253 F C 2.207 178.019 175.800 0.020 0.000 1.085 253 F CA 0.326 58.326 58.000 -0.000 0.000 1.430 253 F CB -0.414 38.604 39.000 0.030 0.000 1.120 253 F HN -0.095 nan 8.300 nan 0.000 0.556 254 F N 1.856 121.847 119.950 0.067 0.000 2.171 254 F HA -0.204 4.322 4.527 -0.001 0.000 0.300 254 F C 2.575 178.308 175.800 -0.112 0.000 1.090 254 F CA 1.785 59.776 58.000 -0.015 0.000 1.293 254 F CB -0.255 38.718 39.000 -0.044 0.000 1.013 254 F HN 0.085 nan 8.300 nan 0.000 0.486 255 E N -0.168 119.949 120.200 -0.138 0.000 2.110 255 E HA -0.203 4.146 4.350 -0.001 0.000 0.193 255 E C 2.169 178.610 176.600 -0.265 0.000 0.988 255 E CA 1.449 57.640 56.400 -0.349 0.000 0.804 255 E CB -0.854 28.578 29.700 -0.447 0.000 0.745 255 E HN 0.324 nan 8.360 nan 0.000 0.458 256 V N 1.447 121.210 119.914 -0.251 0.000 2.453 256 V HA -0.272 3.847 4.120 -0.001 0.000 0.252 256 V C 2.129 178.165 176.094 -0.097 0.000 1.068 256 V CA 2.453 64.590 62.300 -0.272 0.000 1.070 256 V CB -0.550 31.007 31.823 -0.442 0.000 0.664 256 V HN 0.509 nan 8.190 nan 0.000 0.461 257 T N 0.027 114.513 114.554 -0.113 0.000 2.770 257 T HA -0.062 4.288 4.350 -0.001 0.000 0.263 257 T C 1.790 176.463 174.700 -0.045 0.000 1.039 257 T CA 1.561 63.634 62.100 -0.045 0.000 1.142 257 T CB -0.219 68.557 68.868 -0.153 0.000 0.868 257 T HN 0.373 nan 8.240 nan 0.000 0.435 258 L N 0.156 121.258 121.223 -0.202 0.000 2.013 258 L HA -0.105 4.235 4.340 -0.001 0.000 0.212 258 L C 2.242 179.223 176.870 0.185 0.000 1.073 258 L CA 1.588 56.371 54.840 -0.095 0.000 0.753 258 L CB -0.708 41.071 42.059 -0.467 0.000 0.890 258 L HN 0.198 nan 8.230 nan 0.000 0.432 259 F N 0.799 120.765 119.950 0.026 0.000 2.027 259 F HA -0.377 4.149 4.527 -0.001 0.000 0.297 259 F C 2.528 178.372 175.800 0.073 0.000 1.129 259 F CA 1.807 59.859 58.000 0.087 0.000 1.195 259 F CB -0.453 38.519 39.000 -0.048 0.000 0.960 259 F HN 0.040 nan 8.300 nan 0.000 0.485 260 A N 0.347 123.392 122.820 0.375 0.000 1.881 260 A HA -0.242 4.077 4.320 -0.001 0.000 0.219 260 A C 2.208 179.903 177.584 0.185 0.000 1.215 260 A CA 2.749 54.974 52.037 0.313 0.000 0.648 260 A CB -1.596 17.642 19.000 0.396 0.000 0.832 260 A HN 0.372 nan 8.150 nan 0.000 0.455 261 V N -0.611 119.398 119.914 0.159 0.000 2.282 261 V HA -0.405 3.714 4.120 -0.001 0.000 0.241 261 V C 2.387 178.549 176.094 0.113 0.000 1.005 261 V CA 2.535 64.912 62.300 0.128 0.000 1.033 261 V CB -1.484 30.431 31.823 0.154 0.000 0.677 261 V HN 0.432 nan 8.190 nan 0.000 0.494 262 V N 0.118 120.120 119.914 0.146 0.000 2.241 262 V HA -0.437 3.683 4.120 -0.001 0.000 0.256 262 V C 2.637 178.796 176.094 0.108 0.000 1.060 262 V CA 3.259 65.637 62.300 0.129 0.000 1.065 262 V CB -1.601 30.348 31.823 0.210 0.000 0.685 262 V HN 0.781 nan 8.190 nan 0.000 0.467 263 A N -0.335 122.597 122.820 0.187 0.000 1.870 263 A HA -0.310 4.009 4.320 -0.001 0.000 0.219 263 A C 2.141 179.814 177.584 0.148 0.000 1.224 263 A CA 2.838 55.100 52.037 0.375 0.000 0.650 263 A CB -0.928 18.240 19.000 0.280 0.000 0.836 263 A HN 0.577 nan 8.150 nan 0.000 0.454 264 L N -0.430 120.856 121.223 0.104 0.000 1.941 264 L HA -0.211 4.128 4.340 -0.001 0.000 0.224 264 L C 2.254 179.094 176.870 -0.050 0.000 1.081 264 L CA 2.196 57.059 54.840 0.037 0.000 0.784 264 L CB -0.898 41.193 42.059 0.053 0.000 0.894 264 L HN 0.404 nan 8.230 nan 0.000 0.436 265 L N -0.214 120.981 121.223 -0.046 0.000 2.077 265 L HA -0.264 4.075 4.340 -0.001 0.000 0.231 265 L C 1.768 178.494 176.870 -0.240 0.000 1.100 265 L CA 2.233 57.019 54.840 -0.090 0.000 0.819 265 L CB -1.276 40.749 42.059 -0.056 0.000 0.913 265 L HN 0.330 nan 8.230 nan 0.000 0.446 266 V N -0.564 119.058 119.914 -0.487 0.000 2.836 266 V HA 0.239 4.358 4.120 -0.001 0.000 0.368 266 V C 1.122 176.898 176.094 -0.530 0.000 1.452 266 V CA 0.608 62.376 62.300 -0.887 0.000 1.586 266 V CB -0.299 30.297 31.823 -2.044 0.000 1.436 266 V HN 0.442 nan 8.190 nan 0.000 0.541 267 A N 1.683 124.336 122.820 -0.278 0.000 2.456 267 A HA 0.363 4.682 4.320 -0.001 0.000 0.237 267 A C -0.138 177.347 177.584 -0.164 0.000 1.217 267 A CA 0.142 52.055 52.037 -0.207 0.000 0.962 267 A CB 0.146 19.091 19.000 -0.092 0.000 1.079 267 A HN 0.552 nan 8.150 nan 0.000 0.536 268 P HA 0.033 nan 4.420 nan 0.000 0.245 268 P C 0.567 177.814 177.300 -0.088 0.000 1.212 268 P CA 0.329 63.373 63.100 -0.093 0.000 0.774 268 P CB -0.224 31.438 31.700 -0.064 0.000 0.999 269 L N -0.931 120.224 121.223 -0.114 0.000 2.834 269 L HA 0.189 4.529 4.340 -0.001 0.000 0.252 269 L C 1.305 178.125 176.870 -0.083 0.000 1.152 269 L CA 0.413 55.212 54.840 -0.070 0.000 0.898 269 L CB -1.428 40.583 42.059 -0.079 0.000 1.078 269 L HN 0.150 nan 8.230 nan 0.000 0.439 270 G N -0.526 108.219 108.800 -0.091 0.000 2.302 270 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.276 270 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.276 270 G C 0.208 175.061 174.900 -0.077 0.000 1.316 270 G CA -0.050 45.002 45.100 -0.080 0.000 0.988 270 G HN 0.056 nan 8.290 nan 0.000 0.479 271 S N -1.417 114.245 115.700 -0.063 0.000 2.517 271 S HA 0.146 4.615 4.470 -0.001 0.000 0.214 271 S C 2.002 176.572 174.600 -0.050 0.000 0.991 271 S CA 1.662 59.832 58.200 -0.049 0.000 0.906 271 S CB 0.156 63.335 63.200 -0.035 0.000 0.789 271 S HN 0.895 nan 8.310 nan 0.000 0.513 272 T N 2.878 117.389 114.554 -0.071 0.000 2.721 272 T HA -0.180 4.169 4.350 -0.001 0.000 0.268 272 T C 1.877 176.528 174.700 -0.082 0.000 1.038 272 T CA 1.478 63.526 62.100 -0.087 0.000 1.145 272 T CB -1.065 67.717 68.868 -0.144 0.000 0.858 272 T HN 0.412 nan 8.240 nan 0.000 0.459 273 V N 1.071 120.927 119.914 -0.097 0.000 2.310 273 V HA -0.328 3.791 4.120 -0.001 0.000 0.254 273 V C 2.208 178.325 176.094 0.038 0.000 1.078 273 V CA 2.664 64.924 62.300 -0.066 0.000 1.104 273 V CB -1.085 30.693 31.823 -0.075 0.000 0.786 273 V HN 0.419 nan 8.190 nan 0.000 0.469 274 V N 0.275 120.214 119.914 0.043 0.000 2.214 274 V HA -0.261 3.858 4.120 -0.001 0.000 0.245 274 V C 2.813 178.976 176.094 0.114 0.000 1.047 274 V CA 3.222 65.594 62.300 0.120 0.000 0.998 274 V CB -1.639 30.241 31.823 0.096 0.000 0.633 274 V HN 0.949 nan 8.190 nan 0.000 0.446 275 A N 0.049 122.897 122.820 0.047 0.000 1.879 275 A HA -0.410 3.910 4.320 -0.001 0.000 0.234 275 A C 2.364 179.995 177.584 0.078 0.000 1.742 275 A CA 3.950 56.001 52.037 0.024 0.000 0.775 275 A CB -1.567 17.408 19.000 -0.042 0.000 0.849 275 A HN 0.839 nan 8.150 nan 0.000 0.487 276 A N -1.543 121.298 122.820 0.035 0.000 1.836 276 A HA -0.185 4.134 4.320 -0.001 0.000 0.215 276 A C 1.918 179.813 177.584 0.518 0.000 1.214 276 A CA 2.653 54.878 52.037 0.314 0.000 0.636 276 A CB -1.493 17.236 19.000 -0.452 0.000 0.847 276 A HN 0.974 nan 8.150 nan 0.000 0.451 277 H N -0.925 118.308 119.070 0.273 0.000 2.955 277 H HA -0.275 4.281 4.556 -0.001 0.000 0.295 277 H C 2.143 177.520 175.328 0.083 0.000 1.029 277 H CA 2.817 58.968 56.048 0.172 0.000 1.066 277 H CB -0.710 29.091 29.762 0.065 0.000 1.562 277 H HN 0.498 nan 8.280 nan 0.000 0.834 278 Q N -0.147 119.663 119.800 0.016 0.000 1.954 278 Q HA -0.238 4.101 4.340 -0.001 0.000 0.222 278 Q C 2.413 178.390 176.000 -0.038 0.000 1.053 278 Q CA 2.576 58.331 55.803 -0.080 0.000 0.900 278 Q CB -1.159 27.609 28.738 0.050 0.000 1.021 278 Q HN 0.386 nan 8.270 nan 0.000 0.423 279 V N 0.244 120.184 119.914 0.043 0.000 2.288 279 V HA -0.398 3.722 4.120 -0.001 0.000 0.229 279 V C 1.949 178.091 176.094 0.080 0.000 0.983 279 V CA 2.155 64.494 62.300 0.064 0.000 1.006 279 V CB -1.604 30.259 31.823 0.067 0.000 0.660 279 V HN 0.691 nan 8.190 nan 0.000 0.490 280 A N -0.051 122.825 122.820 0.094 0.000 2.127 280 A HA -0.353 3.967 4.320 -0.001 0.000 0.225 280 A C 2.164 179.710 177.584 -0.064 0.000 1.543 280 A CA 3.071 55.151 52.037 0.072 0.000 0.873 280 A CB -1.263 17.606 19.000 -0.217 0.000 0.808 280 A HN 0.655 nan 8.150 nan 0.000 0.510 281 L N -0.415 120.716 121.223 -0.153 0.000 2.013 281 L HA -0.406 3.934 4.340 -0.001 0.000 0.239 281 L C 2.303 179.065 176.870 -0.180 0.000 1.100 281 L CA 2.705 57.424 54.840 -0.200 0.000 0.826 281 L CB -0.901 41.010 42.059 -0.247 0.000 0.921 281 L HN 0.747 nan 8.230 nan 0.000 0.445 282 N N -1.087 117.511 118.700 -0.170 0.000 2.018 282 N HA -0.334 4.406 4.740 -0.001 0.000 0.197 282 N C 1.698 177.201 175.510 -0.012 0.000 1.071 282 N CA 2.029 55.019 53.050 -0.100 0.000 0.887 282 N CB -0.602 37.839 38.487 -0.077 0.000 1.077 282 N HN 0.398 nan 8.380 nan 0.000 0.469 283 F N 1.971 121.883 119.950 -0.064 0.000 2.024 283 F HA -0.335 4.191 4.527 -0.001 0.000 0.296 283 F C 2.660 178.436 175.800 -0.041 0.000 1.137 283 F CA 2.054 60.037 58.000 -0.028 0.000 1.200 283 F CB -0.541 38.459 39.000 -0.000 0.000 0.954 283 F HN 0.038 nan 8.300 nan 0.000 0.497 284 S N 0.007 115.685 115.700 -0.036 0.000 2.460 284 S HA -0.417 4.053 4.470 -0.001 0.000 0.241 284 S C 2.035 176.515 174.600 -0.201 0.000 1.051 284 S CA 2.066 60.161 58.200 -0.175 0.000 1.223 284 S CB -1.411 61.656 63.200 -0.222 0.000 1.160 284 S HN 0.663 nan 8.310 nan 0.000 0.424 285 S N 0.756 116.341 115.700 -0.191 0.000 2.465 285 S HA -0.257 4.212 4.470 -0.001 0.000 0.263 285 S C 1.616 176.193 174.600 -0.038 0.000 1.135 285 S CA 1.854 59.944 58.200 -0.182 0.000 1.118 285 S CB -0.490 62.580 63.200 -0.217 0.000 0.994 285 S HN 0.274 nan 8.310 nan 0.000 0.455 286 L N 0.805 121.957 121.223 -0.119 0.000 2.102 286 L HA 0.157 4.496 4.340 -0.001 0.000 0.202 286 L C 2.590 179.383 176.870 -0.128 0.000 1.076 286 L CA 1.239 56.027 54.840 -0.087 0.000 0.761 286 L CB -1.066 40.910 42.059 -0.137 0.000 0.921 286 L HN 0.258 nan 8.230 nan 0.000 0.444 287 V N -0.499 119.177 119.914 -0.397 0.000 2.469 287 V HA -0.325 3.795 4.120 -0.001 0.000 0.251 287 V C 2.291 178.365 176.094 -0.033 0.000 1.064 287 V CA 1.834 63.897 62.300 -0.396 0.000 1.066 287 V CB -0.996 30.524 31.823 -0.505 0.000 0.667 287 V HN 0.418 nan 8.190 nan 0.000 0.461 288 F N 0.648 120.544 119.950 -0.089 0.000 2.075 288 F HA -0.251 4.276 4.527 -0.001 0.000 0.297 288 F C 2.470 178.303 175.800 0.054 0.000 1.113 288 F CA 2.322 60.333 58.000 0.019 0.000 1.218 288 F CB -0.277 38.735 39.000 0.020 0.000 0.984 288 F HN 0.078 nan 8.300 nan 0.000 0.472 289 M N -0.464 119.347 119.600 0.353 0.000 2.153 289 M HA -0.305 4.174 4.480 -0.001 0.000 0.253 289 M C 1.870 178.211 176.300 0.068 0.000 1.081 289 M CA 1.960 57.388 55.300 0.214 0.000 1.076 289 M CB -0.471 32.267 32.600 0.231 0.000 1.350 289 M HN 0.324 nan 8.290 nan 0.000 0.401 290 F N 0.157 120.036 119.950 -0.118 0.000 1.988 290 F HA -0.118 4.408 4.527 -0.001 0.000 0.296 290 F C -0.606 175.090 175.800 -0.173 0.000 1.178 290 F CA 1.733 59.658 58.000 -0.125 0.000 1.174 290 F CB -2.262 36.676 39.000 -0.104 0.000 0.963 290 F HN 0.093 nan 8.300 nan 0.000 0.489 291 P HA -0.255 nan 4.420 nan 0.000 0.217 291 P C 2.139 179.308 177.300 -0.219 0.000 1.151 291 P CA 1.788 64.819 63.100 -0.115 0.000 0.849 291 P CB -0.238 31.381 31.700 -0.135 0.000 0.787 292 M N -0.811 118.563 119.600 -0.377 0.000 2.149 292 M HA -0.163 4.317 4.480 -0.001 0.000 0.261 292 M C 1.815 178.021 176.300 -0.157 0.000 1.064 292 M CA 1.842 56.937 55.300 -0.342 0.000 1.102 292 M CB -0.643 31.652 32.600 -0.507 0.000 1.369 292 M HN -0.088 nan 8.290 nan 0.000 0.408 293 S N 1.322 116.927 115.700 -0.158 0.000 2.365 293 S HA -0.207 4.263 4.470 -0.001 0.000 0.221 293 S C 1.806 176.327 174.600 -0.132 0.000 1.037 293 S CA 1.854 59.962 58.200 -0.152 0.000 1.060 293 S CB -0.597 62.461 63.200 -0.237 0.000 0.974 293 S HN 0.535 nan 8.310 nan 0.000 0.427 294 I N 1.563 122.053 120.570 -0.133 0.000 2.118 294 I HA -0.244 3.925 4.170 -0.001 0.000 0.241 294 I C 2.698 178.779 176.117 -0.060 0.000 1.070 294 I CA 1.261 62.504 61.300 -0.095 0.000 1.327 294 I CB -1.454 36.499 38.000 -0.079 0.000 1.034 294 I HN 0.412 nan 8.210 nan 0.000 0.405 295 G N 0.997 109.759 108.800 -0.063 0.000 2.812 295 G HA2 -0.399 3.560 3.960 -0.001 0.000 0.218 295 G HA3 -0.399 3.560 3.960 -0.001 0.000 0.218 295 G C 1.779 176.695 174.900 0.027 0.000 1.287 295 G CA 1.510 46.595 45.100 -0.026 0.000 0.796 295 G HN 0.540 nan 8.290 nan 0.000 0.649 296 A N 0.618 123.478 122.820 0.068 0.000 2.084 296 A HA 0.149 4.468 4.320 -0.001 0.000 0.221 296 A C 2.739 180.373 177.584 0.083 0.000 1.161 296 A CA 2.591 54.720 52.037 0.154 0.000 0.653 296 A CB -0.674 18.530 19.000 0.340 0.000 0.802 296 A HN 1.075 nan 8.150 nan 0.000 0.457 297 A N -0.697 122.121 122.820 -0.003 0.000 1.832 297 A HA 0.046 4.365 4.320 -0.001 0.000 0.214 297 A C 2.155 179.752 177.584 0.021 0.000 1.204 297 A CA 1.635 53.656 52.037 -0.028 0.000 0.606 297 A CB -1.027 17.935 19.000 -0.063 0.000 0.849 297 A HN 0.439 nan 8.150 nan 0.000 0.445 298 V N -0.053 119.875 119.914 0.023 0.000 2.515 298 V HA -0.186 3.933 4.120 -0.001 0.000 0.250 298 V C 2.769 178.915 176.094 0.088 0.000 1.058 298 V CA 2.151 64.481 62.300 0.049 0.000 1.064 298 V CB -0.687 31.157 31.823 0.035 0.000 0.675 298 V HN 0.649 nan 8.190 nan 0.000 0.461 299 S N 0.501 116.254 115.700 0.089 0.000 2.359 299 S HA -0.194 4.276 4.470 -0.001 0.000 0.224 299 S C 1.978 176.673 174.600 0.159 0.000 1.035 299 S CA 2.231 60.507 58.200 0.127 0.000 1.018 299 S CB -0.320 62.955 63.200 0.125 0.000 0.876 299 S HN 0.703 nan 8.310 nan 0.000 0.448 300 I N -0.784 119.869 120.570 0.138 0.000 2.277 300 I HA 0.074 4.244 4.170 -0.001 0.000 0.243 300 I C 2.515 178.707 176.117 0.125 0.000 1.094 300 I CA 1.061 62.442 61.300 0.134 0.000 1.393 300 I CB -0.651 37.423 38.000 0.123 0.000 1.078 300 I HN 0.123 nan 8.210 nan 0.000 0.417 301 R N 1.724 122.284 120.500 0.100 0.000 2.117 301 R HA -0.158 4.182 4.340 -0.001 0.000 0.243 301 R C 2.258 178.630 176.300 0.119 0.000 1.143 301 R CA 1.995 58.154 56.100 0.100 0.000 0.968 301 R CB -1.055 29.284 30.300 0.065 0.000 0.863 301 R HN 0.473 nan 8.270 nan 0.000 0.444 302 V N 0.398 120.393 119.914 0.136 0.000 2.626 302 V HA -0.057 4.062 4.120 -0.001 0.000 0.252 302 V C 2.032 178.196 176.094 0.117 0.000 1.067 302 V CA 2.031 64.423 62.300 0.154 0.000 1.081 302 V CB -0.365 31.625 31.823 0.278 0.000 0.686 302 V HN 0.555 nan 8.190 nan 0.000 0.468 303 G N -2.007 106.882 108.800 0.149 0.000 2.712 303 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.212 303 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.212 303 G C 1.311 176.263 174.900 0.087 0.000 1.142 303 G CA 0.765 45.928 45.100 0.104 0.000 0.789 303 G HN 0.694 nan 8.290 nan 0.000 0.535 304 H N 0.172 119.247 119.070 0.008 0.000 2.388 304 H HA 0.196 4.752 4.556 -0.001 0.000 0.304 304 H C 2.272 177.589 175.328 -0.017 0.000 1.049 304 H CA 1.128 57.172 56.048 -0.007 0.000 1.371 304 H CB 0.151 29.914 29.762 0.001 0.000 1.436 304 H HN 0.104 nan 8.280 nan 0.000 0.544 305 K N 0.272 120.599 120.400 -0.121 0.000 2.283 305 K HA -0.034 4.285 4.320 -0.001 0.000 0.202 305 K C 2.003 178.508 176.600 -0.158 0.000 1.048 305 K CA 0.695 56.874 56.287 -0.181 0.000 0.948 305 K CB -0.618 31.845 32.500 -0.062 0.000 0.742 305 K HN 0.318 nan 8.250 nan 0.000 0.458 306 L N -0.708 120.440 121.223 -0.124 0.000 2.083 306 L HA 0.024 4.363 4.340 -0.001 0.000 0.209 306 L C 1.707 178.509 176.870 -0.113 0.000 1.083 306 L CA 2.039 56.794 54.840 -0.142 0.000 0.752 306 L CB -0.618 41.331 42.059 -0.183 0.000 0.899 306 L HN 0.260 nan 8.230 nan 0.000 0.433 307 G N -2.032 106.693 108.800 -0.125 0.000 3.284 307 G HA2 0.031 3.991 3.960 -0.001 0.000 0.236 307 G HA3 0.031 3.991 3.960 -0.001 0.000 0.236 307 G C 1.037 175.849 174.900 -0.146 0.000 1.158 307 G CA -0.099 44.935 45.100 -0.110 0.000 0.774 307 G HN 0.363 nan 8.290 nan 0.000 0.545 308 E N -0.043 120.037 120.200 -0.200 0.000 2.226 308 E HA 0.087 4.436 4.350 -0.001 0.000 0.238 308 E C 1.680 178.216 176.600 -0.106 0.000 0.859 308 E CA -0.062 56.233 56.400 -0.174 0.000 1.114 308 E CB 0.198 29.768 29.700 -0.217 0.000 1.184 308 E HN 0.209 nan 8.360 nan 0.000 0.517 309 Q N 0.163 119.906 119.800 -0.096 0.000 2.403 309 Q HA -0.014 4.325 4.340 -0.001 0.000 0.203 309 Q C -0.779 175.179 176.000 -0.071 0.000 0.932 309 Q CA 0.299 56.061 55.803 -0.069 0.000 0.945 309 Q CB 0.477 29.180 28.738 -0.058 0.000 1.045 309 Q HN 0.390 nan 8.270 nan 0.000 0.511 310 D N 0.347 120.694 120.400 -0.088 0.000 2.835 310 D HA -0.159 4.480 4.640 -0.001 0.000 0.230 310 D C 0.293 176.542 176.300 -0.084 0.000 1.130 310 D CA 0.983 54.930 54.000 -0.088 0.000 0.738 310 D CB -1.378 39.378 40.800 -0.073 0.000 1.090 310 D HN 0.273 nan 8.370 nan 0.000 0.433 311 T N -0.338 114.166 114.554 -0.083 0.000 4.339 311 T HA -0.038 4.312 4.350 -0.001 0.000 0.431 311 T C 1.052 175.704 174.700 -0.080 0.000 1.117 311 T CA 0.439 62.496 62.100 -0.071 0.000 1.020 311 T CB 0.447 69.278 68.868 -0.061 0.000 1.522 311 T HN -0.065 nan 8.240 nan 0.000 0.494 312 K N 1.086 121.443 120.400 -0.071 0.000 3.129 312 K HA 0.235 4.554 4.320 -0.001 0.000 0.241 312 K C 1.557 178.105 176.600 -0.088 0.000 1.239 312 K CA 0.069 56.303 56.287 -0.087 0.000 1.239 312 K CB -0.162 32.297 32.500 -0.068 0.000 1.347 312 K HN 0.700 nan 8.250 nan 0.000 0.435 313 G N 1.231 109.981 108.800 -0.083 0.000 2.517 313 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.222 313 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.222 313 G C 1.373 176.246 174.900 -0.045 0.000 1.109 313 G CA 1.242 46.312 45.100 -0.049 0.000 0.746 313 G HN 0.448 nan 8.290 nan 0.000 0.576 314 A N 1.491 124.222 122.820 -0.148 0.000 1.904 314 A HA 0.213 4.532 4.320 -0.001 0.000 0.207 314 A C 2.890 180.415 177.584 -0.098 0.000 1.231 314 A CA 2.814 54.676 52.037 -0.292 0.000 0.655 314 A CB -1.420 16.986 19.000 -0.990 0.000 0.875 314 A HN 1.214 nan 8.150 nan 0.000 0.478 315 A N -0.668 122.093 122.820 -0.097 0.000 1.957 315 A HA -0.261 4.058 4.320 -0.001 0.000 0.224 315 A C 1.804 179.410 177.584 0.036 0.000 1.287 315 A CA 2.438 54.496 52.037 0.035 0.000 0.682 315 A CB -1.090 17.917 19.000 0.011 0.000 0.833 315 A HN 0.544 nan 8.150 nan 0.000 0.482 316 I N -1.291 119.281 120.570 0.005 0.000 3.252 316 I HA -0.018 4.151 4.170 -0.001 0.000 0.151 316 I C 2.836 178.977 176.117 0.039 0.000 1.031 316 I CA 0.995 62.305 61.300 0.017 0.000 1.364 316 I CB -1.925 36.076 38.000 0.003 0.000 1.211 316 I HN 0.375 nan 8.210 nan 0.000 0.436 317 A N 0.781 123.625 122.820 0.041 0.000 1.971 317 A HA -0.345 3.974 4.320 -0.001 0.000 0.231 317 A C 2.330 179.961 177.584 0.078 0.000 1.546 317 A CA 3.829 55.903 52.037 0.063 0.000 0.716 317 A CB -1.467 17.583 19.000 0.084 0.000 0.839 317 A HN 0.773 nan 8.150 nan 0.000 0.513 318 A N -0.730 122.152 122.820 0.103 0.000 1.889 318 A HA -0.116 4.204 4.320 -0.001 0.000 0.209 318 A C 1.672 179.321 177.584 0.107 0.000 1.315 318 A CA 1.738 53.866 52.037 0.151 0.000 0.611 318 A CB -1.053 18.148 19.000 0.335 0.000 0.950 318 A HN 0.579 nan 8.150 nan 0.000 0.477 319 N N -0.554 118.222 118.700 0.127 0.000 2.322 319 N HA -0.143 4.596 4.740 -0.001 0.000 0.189 319 N C 1.364 176.910 175.510 0.061 0.000 1.012 319 N CA 1.252 54.354 53.050 0.086 0.000 0.880 319 N CB -0.473 38.069 38.487 0.092 0.000 0.967 319 N HN 0.348 nan 8.380 nan 0.000 0.439 320 V N 0.058 120.008 119.914 0.059 0.000 2.298 320 V HA 0.024 4.144 4.120 -0.001 0.000 0.226 320 V C 2.154 178.272 176.094 0.039 0.000 1.053 320 V CA 2.049 64.381 62.300 0.053 0.000 1.029 320 V CB -1.194 30.659 31.823 0.051 0.000 0.659 320 V HN 0.314 nan 8.190 nan 0.000 0.470 321 G N 0.296 109.116 108.800 0.033 0.000 2.803 321 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.227 321 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.227 321 G C 1.429 176.332 174.900 0.004 0.000 1.129 321 G CA 2.046 47.155 45.100 0.016 0.000 0.755 321 G HN 0.604 nan 8.290 nan 0.000 0.634 322 L N -0.805 120.423 121.223 0.008 0.000 1.910 322 L HA -0.098 4.242 4.340 -0.001 0.000 0.221 322 L C 2.902 179.770 176.870 -0.003 0.000 1.084 322 L CA 1.726 56.561 54.840 -0.008 0.000 0.779 322 L CB -0.658 41.397 42.059 -0.007 0.000 0.888 322 L HN 0.217 nan 8.230 nan 0.000 0.432 323 M N -0.320 119.286 119.600 0.010 0.000 2.221 323 M HA -0.360 4.119 4.480 -0.001 0.000 0.247 323 M C 2.258 178.565 176.300 0.011 0.000 1.077 323 M CA 2.903 58.211 55.300 0.014 0.000 1.064 323 M CB -0.614 32.005 32.600 0.032 0.000 1.325 323 M HN 0.669 nan 8.290 nan 0.000 0.405 324 T N -3.191 111.371 114.554 0.013 0.000 2.770 324 T HA -0.019 4.330 4.350 -0.001 0.000 0.263 324 T C 1.783 176.488 174.700 0.008 0.000 1.039 324 T CA 1.208 63.315 62.100 0.012 0.000 1.142 324 T CB -1.396 67.479 68.868 0.012 0.000 0.868 324 T HN 0.556 nan 8.240 nan 0.000 0.435 325 G N 1.527 110.325 108.800 -0.003 0.000 2.479 325 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.220 325 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.220 325 G C 1.485 176.385 174.900 -0.000 0.000 1.115 325 G CA 0.462 45.559 45.100 -0.004 0.000 0.757 325 G HN 0.391 nan 8.290 nan 0.000 0.560 326 L N 0.755 121.975 121.223 -0.005 0.000 2.093 326 L HA 0.104 4.443 4.340 -0.001 0.000 0.208 326 L C 2.971 179.844 176.870 0.005 0.000 1.085 326 L CA 1.943 56.780 54.840 -0.006 0.000 0.755 326 L CB -1.152 40.901 42.059 -0.009 0.000 0.904 326 L HN 0.308 nan 8.230 nan 0.000 0.435 327 A N 0.217 123.043 122.820 0.011 0.000 1.827 327 A HA -0.293 4.027 4.320 -0.001 0.000 0.215 327 A C 2.304 179.904 177.584 0.026 0.000 1.212 327 A CA 3.319 55.366 52.037 0.016 0.000 0.624 327 A CB -1.438 17.573 19.000 0.019 0.000 0.853 327 A HN 0.575 nan 8.150 nan 0.000 0.450 328 T N -1.358 113.225 114.554 0.049 0.000 2.649 328 T HA -0.220 4.130 4.350 -0.001 0.000 0.268 328 T C 1.874 176.600 174.700 0.044 0.000 1.036 328 T CA 2.872 65.027 62.100 0.091 0.000 1.157 328 T CB -0.974 68.001 68.868 0.179 0.000 0.861 328 T HN 0.860 nan 8.240 nan 0.000 0.445 329 A N 0.582 123.419 122.820 0.028 0.000 1.841 329 A HA 0.018 4.337 4.320 -0.001 0.000 0.214 329 A C 2.920 180.508 177.584 0.007 0.000 1.195 329 A CA 1.465 53.508 52.037 0.010 0.000 0.611 329 A CB -1.605 17.396 19.000 0.002 0.000 0.835 329 A HN 0.747 nan 8.150 nan 0.000 0.443 330 C N -0.484 118.821 119.300 0.007 0.000 2.382 330 C HA -0.192 4.267 4.460 -0.001 0.000 0.281 330 C C 2.491 177.482 174.990 0.003 0.000 1.191 330 C CA 1.608 60.630 59.018 0.007 0.000 1.772 330 C CB -1.377 26.366 27.740 0.005 0.000 2.013 330 C HN 0.688 nan 8.230 nan 0.000 0.437 331 I N 1.736 122.306 120.570 0.001 0.000 2.113 331 I HA -0.231 3.938 4.170 -0.001 0.000 0.242 331 I C 2.715 178.811 176.117 -0.034 0.000 1.064 331 I CA 3.373 64.667 61.300 -0.011 0.000 1.320 331 I CB -0.930 37.069 38.000 -0.000 0.000 1.028 331 I HN 0.724 nan 8.210 nan 0.000 0.406 332 T N -0.806 113.719 114.554 -0.049 0.000 2.708 332 T HA -0.067 4.283 4.350 -0.001 0.000 0.266 332 T C 1.984 176.675 174.700 -0.015 0.000 1.037 332 T CA 1.346 63.389 62.100 -0.095 0.000 1.146 332 T CB -1.316 67.433 68.868 -0.198 0.000 0.865 332 T HN 0.476 nan 8.240 nan 0.000 0.435 333 A N 2.184 125.010 122.820 0.011 0.000 1.834 333 A HA 0.086 4.405 4.320 -0.001 0.000 0.216 333 A C 2.170 179.776 177.584 0.037 0.000 1.203 333 A CA 1.586 53.654 52.037 0.052 0.000 0.621 333 A CB -1.249 17.778 19.000 0.045 0.000 0.841 333 A HN 0.438 nan 8.150 nan 0.000 0.446 334 L N -0.215 121.018 121.223 0.016 0.000 2.721 334 L HA -0.089 4.250 4.340 -0.001 0.000 0.241 334 L C 1.739 178.602 176.870 -0.011 0.000 1.168 334 L CA 1.161 56.006 54.840 0.008 0.000 0.866 334 L CB -0.616 41.447 42.059 0.006 0.000 0.996 334 L HN 0.674 nan 8.230 nan 0.000 0.451 335 L N -6.576 114.627 121.223 -0.034 0.000 2.685 335 L HA 0.263 4.603 4.340 -0.001 0.000 0.235 335 L C 1.883 178.687 176.870 -0.109 0.000 1.070 335 L CA 0.663 55.445 54.840 -0.096 0.000 0.888 335 L CB -1.161 40.802 42.059 -0.160 0.000 1.203 335 L HN -0.183 nan 8.230 nan 0.000 0.499 336 T N 0.559 115.096 114.554 -0.028 0.000 2.720 336 T HA -0.220 4.129 4.350 -0.001 0.000 0.268 336 T C 2.031 176.718 174.700 -0.022 0.000 1.037 336 T CA 2.088 64.191 62.100 0.005 0.000 1.144 336 T CB -0.424 68.538 68.868 0.157 0.000 0.864 336 T HN 0.280 nan 8.240 nan 0.000 0.444 337 V N 1.870 121.791 119.914 0.012 0.000 2.313 337 V HA -0.207 3.912 4.120 -0.001 0.000 0.253 337 V C 2.201 178.318 176.094 0.038 0.000 1.070 337 V CA 2.231 64.546 62.300 0.025 0.000 1.057 337 V CB -0.627 31.213 31.823 0.029 0.000 0.653 337 V HN 0.477 nan 8.190 nan 0.000 0.450 338 L N -0.268 120.995 121.223 0.067 0.000 1.973 338 L HA -0.005 4.334 4.340 -0.001 0.000 0.208 338 L C 2.167 179.145 176.870 0.180 0.000 1.073 338 L CA 2.369 57.286 54.840 0.128 0.000 0.746 338 L CB -1.423 40.748 42.059 0.186 0.000 0.891 338 L HN 0.302 nan 8.230 nan 0.000 0.433 339 F N 1.804 121.700 119.950 -0.090 0.000 2.380 339 F HA -0.219 4.307 4.527 -0.001 0.000 0.299 339 F C 2.298 177.991 175.800 -0.179 0.000 1.064 339 F CA 1.152 59.072 58.000 -0.133 0.000 1.432 339 F CB -0.979 37.920 39.000 -0.167 0.000 1.089 339 F HN 0.340 nan 8.300 nan 0.000 0.562 340 R N 1.125 121.608 120.500 -0.027 0.000 2.410 340 R HA -0.320 4.019 4.340 -0.001 0.000 0.207 340 R C 1.844 178.092 176.300 -0.086 0.000 1.020 340 R CA 1.878 57.930 56.100 -0.080 0.000 0.796 340 R CB -1.603 28.674 30.300 -0.039 0.000 0.771 340 R HN 0.246 nan 8.270 nan 0.000 0.435 341 E N 0.742 120.905 120.200 -0.062 0.000 2.330 341 E HA -0.384 3.965 4.350 -0.001 0.000 0.239 341 E C 2.026 178.573 176.600 -0.089 0.000 1.097 341 E CA 2.577 58.939 56.400 -0.064 0.000 1.031 341 E CB -0.928 28.739 29.700 -0.055 0.000 0.885 341 E HN 0.747 nan 8.360 nan 0.000 0.479 342 Q N -0.715 119.001 119.800 -0.140 0.000 2.096 342 Q HA -0.012 4.327 4.340 -0.001 0.000 0.197 342 Q C 2.236 178.145 176.000 -0.152 0.000 0.964 342 Q CA 1.022 56.724 55.803 -0.168 0.000 0.838 342 Q CB 0.040 28.617 28.738 -0.269 0.000 0.906 342 Q HN 0.322 nan 8.270 nan 0.000 0.444 343 I N 1.042 121.507 120.570 -0.175 0.000 2.127 343 I HA -0.307 3.863 4.170 -0.001 0.000 0.241 343 I C 2.420 178.492 176.117 -0.074 0.000 1.075 343 I CA 1.498 62.722 61.300 -0.126 0.000 1.334 343 I CB -1.589 36.279 38.000 -0.221 0.000 1.040 343 I HN 0.290 nan 8.210 nan 0.000 0.405 344 A N 1.323 124.097 122.820 -0.078 0.000 1.893 344 A HA -0.295 4.024 4.320 -0.001 0.000 0.222 344 A C 2.427 180.006 177.584 -0.008 0.000 1.309 344 A CA 2.242 54.258 52.037 -0.035 0.000 0.681 344 A CB -1.310 17.669 19.000 -0.035 0.000 0.842 344 A HN 0.445 nan 8.150 nan 0.000 0.468 345 L N -1.464 119.744 121.223 -0.026 0.000 2.026 345 L HA -0.330 4.009 4.340 -0.001 0.000 0.231 345 L C 2.322 179.204 176.870 0.019 0.000 1.095 345 L CA 2.361 57.192 54.840 -0.014 0.000 0.810 345 L CB -0.634 41.400 42.059 -0.041 0.000 0.909 345 L HN 0.715 nan 8.230 nan 0.000 0.444 346 L N -1.696 119.535 121.223 0.013 0.000 3.729 346 L HA -0.444 3.896 4.340 -0.001 0.000 0.054 346 L C 0.612 177.540 176.870 0.096 0.000 3.978 346 L CA 1.663 56.535 54.840 0.053 0.000 1.121 346 L CB -0.933 41.170 42.059 0.074 0.000 3.269 346 L HN 0.246 nan 8.230 nan 0.000 0.703 347 Y N 2.286 122.568 120.300 -0.030 0.000 2.754 347 Y HA 0.050 4.600 4.550 -0.001 0.000 0.349 347 Y C 0.493 176.379 175.900 -0.023 0.000 1.179 347 Y CA 0.059 58.142 58.100 -0.029 0.000 1.538 347 Y CB -0.130 38.329 38.460 -0.001 0.000 1.200 347 Y HN 0.152 nan 8.280 nan 0.000 0.522 348 T N 6.815 121.275 114.554 -0.158 0.000 2.704 348 T HA 0.037 4.387 4.350 -0.001 0.000 0.271 348 T C 0.160 174.754 174.700 -0.176 0.000 1.000 348 T CA 0.775 62.781 62.100 -0.157 0.000 1.216 348 T CB 0.039 68.803 68.868 -0.174 0.000 0.961 348 T HN 0.781 nan 8.240 nan 0.000 0.515 349 E N 2.302 122.452 120.200 -0.082 0.000 4.110 349 E HA 0.261 4.611 4.350 -0.001 0.000 0.112 349 E C 0.183 176.764 176.600 -0.032 0.000 1.367 349 E CA -0.902 55.465 56.400 -0.055 0.000 0.785 349 E CB 0.525 30.221 29.700 -0.007 0.000 1.953 349 E HN 0.557 nan 8.360 nan 0.000 0.594 350 N N 0.155 118.847 118.700 -0.013 0.000 3.566 350 N HA -0.002 4.738 4.740 -0.001 0.000 0.354 350 N C 0.744 176.250 175.510 -0.007 0.000 1.632 350 N CA -0.351 52.691 53.050 -0.013 0.000 0.690 350 N CB 0.123 38.603 38.487 -0.012 0.000 2.273 350 N HN 0.265 nan 8.380 nan 0.000 0.643 351 Q N 0.815 120.610 119.800 -0.008 0.000 2.181 351 Q HA -0.075 4.264 4.340 -0.001 0.000 0.205 351 Q C 0.313 176.313 176.000 -0.000 0.000 0.980 351 Q CA 0.754 56.553 55.803 -0.007 0.000 0.862 351 Q CB -0.713 28.020 28.738 -0.009 0.000 0.905 351 Q HN 0.452 nan 8.270 nan 0.000 0.429 352 V N 2.582 122.498 119.914 0.005 0.000 3.417 352 V HA -0.283 3.836 4.120 -0.001 0.000 0.269 352 V C 1.023 177.127 176.094 0.017 0.000 1.071 352 V CA 1.179 63.487 62.300 0.014 0.000 1.170 352 V CB -0.968 30.873 31.823 0.030 0.000 0.707 352 V HN 0.464 nan 8.190 nan 0.000 0.388 353 V N 2.591 122.509 119.914 0.006 0.000 0.497 353 V HA -0.381 3.739 4.120 -0.001 0.000 0.072 353 V C 1.757 177.850 176.094 -0.002 0.000 2.746 353 V CA 1.783 64.083 62.300 0.001 0.000 3.772 353 V CB -2.069 29.759 31.823 0.008 0.000 1.136 353 V HN 0.832 nan 8.190 nan 0.000 1.139 354 V N 0.004 119.918 119.914 -0.001 0.000 2.329 354 V HA -0.470 3.649 4.120 -0.001 0.000 0.265 354 V C 2.619 178.708 176.094 -0.008 0.000 1.119 354 V CA 3.793 66.088 62.300 -0.008 0.000 1.110 354 V CB -1.312 30.504 31.823 -0.012 0.000 0.735 354 V HN 1.101 nan 8.190 nan 0.000 0.455 355 A N -0.696 122.119 122.820 -0.007 0.000 1.819 355 A HA -0.108 4.211 4.320 -0.001 0.000 0.215 355 A C 2.009 179.592 177.584 -0.003 0.000 1.226 355 A CA 2.059 54.093 52.037 -0.005 0.000 0.608 355 A CB -0.710 18.287 19.000 -0.005 0.000 0.877 355 A HN 0.400 nan 8.150 nan 0.000 0.452 356 L N -0.133 121.085 121.223 -0.007 0.000 2.083 356 L HA -0.114 4.225 4.340 -0.001 0.000 0.209 356 L C 2.972 179.835 176.870 -0.011 0.000 1.083 356 L CA 1.747 56.581 54.840 -0.011 0.000 0.752 356 L CB -0.923 41.122 42.059 -0.023 0.000 0.899 356 L HN 0.459 nan 8.230 nan 0.000 0.433 357 A N -0.499 122.316 122.820 -0.008 0.000 1.849 357 A HA -0.316 4.004 4.320 -0.001 0.000 0.217 357 A C 2.315 179.899 177.584 0.000 0.000 1.202 357 A CA 2.319 54.354 52.037 -0.002 0.000 0.629 357 A CB -0.842 18.160 19.000 0.002 0.000 0.834 357 A HN 0.422 nan 8.150 nan 0.000 0.447 358 M N -0.293 119.305 119.600 -0.003 0.000 2.146 358 M HA -0.281 4.199 4.480 -0.001 0.000 0.256 358 M C 1.984 178.294 176.300 0.017 0.000 1.075 358 M CA 2.417 57.717 55.300 -0.001 0.000 1.082 358 M CB -1.111 31.488 32.600 -0.002 0.000 1.355 358 M HN 0.607 nan 8.290 nan 0.000 0.402 359 Q N -0.164 119.647 119.800 0.018 0.000 2.049 359 Q HA -0.084 4.256 4.340 -0.001 0.000 0.198 359 Q C 2.279 178.307 176.000 0.047 0.000 0.971 359 Q CA 1.507 57.330 55.803 0.034 0.000 0.833 359 Q CB -0.149 28.603 28.738 0.024 0.000 0.896 359 Q HN 0.588 nan 8.270 nan 0.000 0.434 360 L N 0.630 121.858 121.223 0.007 0.000 2.046 360 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 360 L C 2.495 179.419 176.870 0.090 0.000 1.077 360 L CA 0.913 55.725 54.840 -0.048 0.000 0.747 360 L CB -0.801 41.197 42.059 -0.101 0.000 0.896 360 L HN 0.268 nan 8.230 nan 0.000 0.432 361 L N 0.089 121.359 121.223 0.078 0.000 2.030 361 L HA -0.330 4.010 4.340 -0.001 0.000 0.222 361 L C 2.724 179.698 176.870 0.174 0.000 1.082 361 L CA 1.683 56.580 54.840 0.095 0.000 0.785 361 L CB -0.659 41.400 42.059 0.001 0.000 0.895 361 L HN 0.326 nan 8.230 nan 0.000 0.439 362 L N -0.174 121.139 121.223 0.150 0.000 1.997 362 L HA -0.308 4.031 4.340 -0.001 0.000 0.216 362 L C 2.682 179.704 176.870 0.255 0.000 1.074 362 L CA 2.110 57.049 54.840 0.165 0.000 0.763 362 L CB -0.576 41.558 42.059 0.125 0.000 0.890 362 L HN 0.304 nan 8.230 nan 0.000 0.434 363 F N 1.450 121.441 119.950 0.070 0.000 2.111 363 F HA -0.287 4.240 4.527 -0.001 0.000 0.300 363 F C 2.169 178.021 175.800 0.086 0.000 1.088 363 F CA 1.534 59.582 58.000 0.080 0.000 1.243 363 F CB -1.465 37.585 39.000 0.083 0.000 0.996 363 F HN 0.160 nan 8.300 nan 0.000 0.483 364 A N 1.274 124.229 122.820 0.224 0.000 1.858 364 A HA 0.042 4.361 4.320 -0.001 0.000 0.216 364 A C 2.609 180.243 177.584 0.083 0.000 1.190 364 A CA 2.367 54.377 52.037 -0.046 0.000 0.617 364 A CB -1.698 17.424 19.000 0.204 0.000 0.827 364 A HN 0.729 nan 8.150 nan 0.000 0.443 365 A N 0.182 123.097 122.820 0.160 0.000 1.884 365 A HA -0.222 4.098 4.320 -0.001 0.000 0.219 365 A C 2.120 179.765 177.584 0.101 0.000 1.197 365 A CA 1.950 54.072 52.037 0.142 0.000 0.637 365 A CB -0.791 18.280 19.000 0.117 0.000 0.827 365 A HN 0.551 nan 8.150 nan 0.000 0.450 366 I N -2.287 118.336 120.570 0.089 0.000 2.439 366 I HA -0.197 3.973 4.170 -0.001 0.000 0.251 366 I C 2.474 178.632 176.117 0.068 0.000 1.139 366 I CA 1.563 62.903 61.300 0.067 0.000 1.438 366 I CB -0.540 37.501 38.000 0.068 0.000 1.085 366 I HN 0.568 nan 8.210 nan 0.000 0.427 367 Y N 2.341 122.564 120.300 -0.129 0.000 2.089 367 Y HA -0.313 4.237 4.550 -0.001 0.000 0.282 367 Y C 2.667 178.529 175.900 -0.062 0.000 1.139 367 Y CA 1.685 59.692 58.100 -0.154 0.000 1.123 367 Y CB -0.642 37.604 38.460 -0.358 0.000 0.980 367 Y HN 0.106 nan 8.280 nan 0.000 0.493 368 Q N -0.365 119.628 119.800 0.322 0.000 2.182 368 Q HA -0.358 3.981 4.340 -0.001 0.000 0.213 368 Q C 2.537 178.573 176.000 0.059 0.000 1.000 368 Q CA 2.019 57.941 55.803 0.199 0.000 0.889 368 Q CB -0.908 27.900 28.738 0.116 0.000 0.932 368 Q HN 0.684 nan 8.270 nan 0.000 0.415 369 C N 0.307 119.631 119.300 0.039 0.000 2.994 369 C HA -0.183 4.277 4.460 -0.001 0.000 0.292 369 C C 2.467 177.432 174.990 -0.043 0.000 1.228 369 C CA 1.033 60.051 59.018 -0.000 0.000 1.790 369 C CB -0.762 26.982 27.740 0.007 0.000 2.061 369 C HN 0.534 nan 8.230 nan 0.000 0.440 370 M N 1.214 120.776 119.600 -0.064 0.000 2.267 370 M HA -0.075 4.405 4.480 -0.001 0.000 0.263 370 M C 1.632 177.832 176.300 -0.168 0.000 1.063 370 M CA 2.136 57.373 55.300 -0.105 0.000 1.090 370 M CB -1.945 30.597 32.600 -0.097 0.000 1.392 370 M HN 0.738 nan 8.290 nan 0.000 0.422 371 D N 0.446 120.704 120.400 -0.237 0.000 2.097 371 D HA -0.113 4.527 4.640 -0.001 0.000 0.195 371 D C 1.852 178.053 176.300 -0.164 0.000 0.989 371 D CA 1.925 55.742 54.000 -0.306 0.000 0.827 371 D CB -0.011 40.530 40.800 -0.432 0.000 0.966 371 D HN 0.225 nan 8.370 nan 0.000 0.456 372 A N 0.493 123.247 122.820 -0.111 0.000 1.859 372 A HA -0.218 4.101 4.320 -0.001 0.000 0.218 372 A C 2.651 180.162 177.584 -0.122 0.000 1.209 372 A CA 2.542 54.518 52.037 -0.102 0.000 0.639 372 A CB -1.526 17.439 19.000 -0.059 0.000 0.835 372 A HN 0.294 nan 8.150 nan 0.000 0.450 373 V N 0.208 120.054 119.914 -0.112 0.000 2.317 373 V HA -0.343 3.776 4.120 -0.001 0.000 0.251 373 V C 2.635 178.632 176.094 -0.161 0.000 1.065 373 V CA 3.010 65.238 62.300 -0.119 0.000 1.049 373 V CB -0.612 31.149 31.823 -0.104 0.000 0.651 373 V HN 0.769 nan 8.190 nan 0.000 0.450 374 Q N -0.442 119.243 119.800 -0.191 0.000 2.002 374 Q HA -0.178 4.162 4.340 -0.001 0.000 0.204 374 Q C 2.210 178.044 176.000 -0.276 0.000 0.988 374 Q CA 3.033 58.680 55.803 -0.259 0.000 0.843 374 Q CB -0.460 28.106 28.738 -0.287 0.000 0.908 374 Q HN 0.584 nan 8.270 nan 0.000 0.420 375 V N 1.100 120.880 119.914 -0.224 0.000 2.218 375 V HA -0.321 3.798 4.120 -0.001 0.000 0.251 375 V C 2.515 178.498 176.094 -0.185 0.000 1.057 375 V CA 2.085 64.259 62.300 -0.209 0.000 1.022 375 V CB -1.457 30.235 31.823 -0.218 0.000 0.645 375 V HN 0.398 nan 8.190 nan 0.000 0.451 376 V N 0.156 119.979 119.914 -0.151 0.000 2.254 376 V HA -0.370 3.749 4.120 -0.001 0.000 0.242 376 V C 2.543 178.571 176.094 -0.110 0.000 1.024 376 V CA 3.281 65.517 62.300 -0.107 0.000 1.009 376 V CB -1.281 30.489 31.823 -0.088 0.000 0.653 376 V HN 0.648 nan 8.190 nan 0.000 0.474 377 A N 0.198 122.942 122.820 -0.127 0.000 1.883 377 A HA -0.333 3.986 4.320 -0.001 0.000 0.226 377 A C 2.342 179.827 177.584 -0.164 0.000 1.512 377 A CA 4.362 56.311 52.037 -0.147 0.000 0.738 377 A CB -1.785 17.103 19.000 -0.186 0.000 0.848 377 A HN 1.544 nan 8.150 nan 0.000 0.477 378 A N -1.514 121.177 122.820 -0.215 0.000 2.934 378 A HA 0.060 4.379 4.320 -0.001 0.000 0.186 378 A C 2.627 180.211 177.584 -0.001 0.000 0.968 378 A CA 2.587 54.487 52.037 -0.227 0.000 1.058 378 A CB -1.747 16.929 19.000 -0.540 0.000 0.780 378 A HN 1.616 nan 8.150 nan 0.000 0.567 379 G N -1.707 107.063 108.800 -0.051 0.000 2.657 379 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.224 379 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.224 379 G C 1.698 176.700 174.900 0.170 0.000 1.086 379 G CA 2.179 47.432 45.100 0.255 0.000 0.730 379 G HN 0.805 nan 8.290 nan 0.000 0.602 380 S N -0.693 115.037 115.700 0.049 0.000 2.460 380 S HA 0.166 4.636 4.470 -0.001 0.000 0.185 380 S C 2.338 176.927 174.600 -0.018 0.000 0.908 380 S CA 0.389 58.611 58.200 0.038 0.000 0.894 380 S CB -0.514 62.698 63.200 0.020 0.000 0.855 380 S HN 0.192 nan 8.310 nan 0.000 0.574 381 L N 1.133 122.303 121.223 -0.088 0.000 1.971 381 L HA -0.111 4.229 4.340 -0.001 0.000 0.215 381 L C 2.897 179.316 176.870 -0.752 0.000 1.072 381 L CA 1.545 56.232 54.840 -0.254 0.000 0.758 381 L CB -0.836 41.133 42.059 -0.150 0.000 0.889 381 L HN 0.258 nan 8.230 nan 0.000 0.433 382 R N 0.794 121.013 120.500 -0.468 0.000 2.148 382 R HA -0.036 4.303 4.340 -0.001 0.000 0.227 382 R C 2.253 178.404 176.300 -0.248 0.000 1.103 382 R CA 0.918 56.758 56.100 -0.433 0.000 0.983 382 R CB -1.569 28.623 30.300 -0.181 0.000 0.874 382 R HN 0.427 nan 8.270 nan 0.000 0.451 383 G N 0.621 109.370 108.800 -0.086 0.000 2.564 383 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.217 383 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.217 383 G C 1.024 175.951 174.900 0.045 0.000 1.120 383 G CA 0.958 46.065 45.100 0.012 0.000 0.752 383 G HN 0.497 nan 8.290 nan 0.000 0.558 384 Y N -1.121 119.230 120.300 0.084 0.000 2.274 384 Y HA 0.276 4.825 4.550 -0.001 0.000 0.290 384 Y C 1.742 177.721 175.900 0.132 0.000 1.145 384 Y CA 0.841 59.014 58.100 0.121 0.000 1.203 384 Y CB -0.360 38.195 38.460 0.158 0.000 0.984 384 Y HN 0.064 nan 8.280 nan 0.000 0.533 385 K N -0.198 120.378 120.400 0.294 0.000 1.731 385 K HA 0.058 4.378 4.320 -0.001 0.000 0.306 385 K C 0.990 177.630 176.600 0.067 0.000 0.908 385 K CA 0.627 57.036 56.287 0.204 0.000 0.436 385 K CB -0.727 31.967 32.500 0.325 0.000 3.321 385 K HN 0.175 nan 8.250 nan 0.000 1.185 386 D N 0.876 121.341 120.400 0.107 0.000 2.271 386 D HA -0.182 4.457 4.640 -0.001 0.000 0.207 386 D C 1.497 177.848 176.300 0.084 0.000 0.983 386 D CA 1.875 55.919 54.000 0.075 0.000 0.878 386 D CB -0.189 40.663 40.800 0.087 0.000 0.920 386 D HN 0.260 nan 8.370 nan 0.000 0.479 387 M N 0.727 120.413 119.600 0.143 0.000 2.108 387 M HA -0.114 4.365 4.480 -0.001 0.000 0.261 387 M C 2.362 178.610 176.300 -0.087 0.000 1.066 387 M CA 2.102 57.467 55.300 0.108 0.000 1.107 387 M CB -1.603 30.988 32.600 -0.016 0.000 1.356 387 M HN 0.296 nan 8.290 nan 0.000 0.406 388 T N -1.167 113.169 114.554 -0.364 0.000 2.760 388 T HA -0.187 4.163 4.350 -0.001 0.000 0.269 388 T C 1.948 176.292 174.700 -0.594 0.000 1.047 388 T CA 1.587 63.011 62.100 -1.127 0.000 1.139 388 T CB -0.908 67.464 68.868 -0.827 0.000 0.855 388 T HN 0.415 nan 8.240 nan 0.000 0.471 389 A N 1.909 124.644 122.820 -0.143 0.000 1.835 389 A HA 0.190 4.510 4.320 -0.001 0.000 0.215 389 A C 2.363 180.081 177.584 0.223 0.000 1.199 389 A CA 1.422 53.500 52.037 0.067 0.000 0.615 389 A CB -0.721 18.326 19.000 0.077 0.000 0.838 389 A HN 0.586 nan 8.150 nan 0.000 0.444 390 I N 0.389 121.074 120.570 0.192 0.000 3.564 390 I HA -0.056 4.113 4.170 -0.001 0.000 0.294 390 I C 1.873 178.144 176.117 0.257 0.000 1.289 390 I CA 0.509 61.941 61.300 0.220 0.000 1.325 390 I CB -0.419 37.687 38.000 0.176 0.000 1.039 390 I HN 0.645 nan 8.210 nan 0.000 0.474 391 F N -0.168 119.809 119.950 0.046 0.000 2.569 391 F HA -0.062 4.465 4.527 -0.001 0.000 0.295 391 F C 2.349 178.122 175.800 -0.046 0.000 1.115 391 F CA 0.415 58.361 58.000 -0.090 0.000 1.450 391 F CB -0.319 38.589 39.000 -0.154 0.000 1.107 391 F HN 0.045 nan 8.300 nan 0.000 0.563 392 H N 1.568 121.139 119.070 0.834 0.000 2.333 392 H HA -0.028 4.527 4.556 -0.001 0.000 0.302 392 H C 2.547 178.123 175.328 0.413 0.000 1.075 392 H CA 2.210 58.658 56.048 0.666 0.000 1.348 392 H CB -0.310 29.776 29.762 0.540 0.000 1.393 392 H HN 0.252 nan 8.280 nan 0.000 0.509 393 R N -0.265 120.394 120.500 0.266 0.000 2.080 393 R HA -0.144 4.195 4.340 -0.001 0.000 0.236 393 R C 1.976 178.350 176.300 0.123 0.000 1.137 393 R CA 2.324 58.513 56.100 0.149 0.000 0.943 393 R CB -0.676 29.730 30.300 0.177 0.000 0.846 393 R HN 0.352 nan 8.270 nan 0.000 0.431 394 T N 0.669 115.284 114.554 0.102 0.000 2.721 394 T HA -0.208 4.141 4.350 -0.001 0.000 0.268 394 T C 1.442 176.168 174.700 0.044 0.000 1.038 394 T CA 1.733 63.846 62.100 0.021 0.000 1.145 394 T CB -0.389 68.420 68.868 -0.098 0.000 0.858 394 T HN 0.269 nan 8.240 nan 0.000 0.459 395 F N 0.493 120.383 119.950 -0.099 0.000 2.046 395 F HA -0.084 4.442 4.527 -0.001 0.000 0.297 395 F C 2.197 178.126 175.800 0.214 0.000 1.123 395 F CA 0.933 58.855 58.000 -0.129 0.000 1.199 395 F CB -0.101 38.797 39.000 -0.170 0.000 0.972 395 F HN 0.063 nan 8.300 nan 0.000 0.474 396 I N -0.213 120.573 120.570 0.360 0.000 2.830 396 I HA -0.244 3.926 4.170 -0.001 0.000 0.263 396 I C 2.430 178.805 176.117 0.430 0.000 1.230 396 I CA 0.941 62.486 61.300 0.407 0.000 1.480 396 I CB -0.190 37.941 38.000 0.217 0.000 1.095 396 I HN 0.201 nan 8.210 nan 0.000 0.455 397 S N 1.356 117.248 115.700 0.320 0.000 2.356 397 S HA -0.286 4.184 4.470 -0.001 0.000 0.223 397 S C 2.212 176.951 174.600 0.232 0.000 1.032 397 S CA 1.598 59.929 58.200 0.219 0.000 1.005 397 S CB -0.774 62.512 63.200 0.143 0.000 0.867 397 S HN 0.621 nan 8.310 nan 0.000 0.449 398 Y N 0.156 120.497 120.300 0.068 0.000 2.395 398 Y HA 0.174 4.724 4.550 -0.001 0.000 0.293 398 Y C 1.937 177.839 175.900 0.002 0.000 1.123 398 Y CA -0.426 57.674 58.100 0.001 0.000 1.227 398 Y CB -1.332 37.115 38.460 -0.021 0.000 1.012 398 Y HN 0.404 nan 8.280 nan 0.000 0.552 399 W N 1.455 122.613 121.300 -0.237 0.000 2.151 399 W HA -0.222 4.438 4.660 -0.001 0.000 0.314 399 W C 2.445 178.812 176.519 -0.254 0.000 1.142 399 W CA 3.055 60.126 57.345 -0.458 0.000 1.127 399 W CB -1.051 28.336 29.460 -0.123 0.000 1.180 399 W HN -0.115 nan 8.180 nan 0.000 0.463 400 V N 1.204 120.780 119.914 -0.564 0.000 2.317 400 V HA -0.324 3.796 4.120 -0.001 0.000 0.251 400 V C 2.365 178.170 176.094 -0.482 0.000 1.065 400 V CA 2.372 64.164 62.300 -0.847 0.000 1.049 400 V CB -1.131 30.490 31.823 -0.336 0.000 0.651 400 V HN 0.396 nan 8.190 nan 0.000 0.450 401 L N 0.407 121.471 121.223 -0.265 0.000 1.955 401 L HA 0.039 4.378 4.340 -0.001 0.000 0.213 401 L C 2.264 178.982 176.870 -0.253 0.000 1.072 401 L CA 2.653 57.380 54.840 -0.187 0.000 0.755 401 L CB -1.559 40.443 42.059 -0.095 0.000 0.888 401 L HN 0.329 nan 8.230 nan 0.000 0.432 402 G N -0.286 108.320 108.800 -0.322 0.000 2.957 402 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.207 402 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.207 402 G C 1.513 176.218 174.900 -0.326 0.000 1.389 402 G CA 1.323 46.201 45.100 -0.369 0.000 0.796 402 G HN 0.451 nan 8.290 nan 0.000 0.704 403 L N 1.399 122.374 121.223 -0.413 0.000 2.017 403 L HA -0.203 4.137 4.340 -0.001 0.000 0.234 403 L C 0.568 177.382 176.870 -0.093 0.000 1.097 403 L CA 2.449 57.170 54.840 -0.198 0.000 0.816 403 L CB -1.557 40.364 42.059 -0.231 0.000 0.914 403 L HN 0.239 nan 8.230 nan 0.000 0.444 404 P HA -0.197 nan 4.420 nan 0.000 0.216 404 P C 1.761 179.010 177.300 -0.084 0.000 1.157 404 P CA 1.922 64.947 63.100 -0.125 0.000 0.880 404 P CB -0.077 31.491 31.700 -0.219 0.000 0.791 405 T N -1.596 112.886 114.554 -0.119 0.000 2.684 405 T HA -0.121 4.228 4.350 -0.001 0.000 0.267 405 T C 1.872 176.555 174.700 -0.029 0.000 1.036 405 T CA 1.955 64.006 62.100 -0.083 0.000 1.148 405 T CB -1.136 67.675 68.868 -0.095 0.000 0.863 405 T HN 0.170 nan 8.240 nan 0.000 0.436 406 G N -1.061 107.740 108.800 0.001 0.000 2.394 406 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.215 406 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.215 406 G C 1.380 176.456 174.900 0.292 0.000 1.165 406 G CA 0.589 45.744 45.100 0.091 0.000 0.784 406 G HN 0.646 nan 8.290 nan 0.000 0.535 407 Y N 0.801 121.224 120.300 0.206 0.000 2.163 407 Y HA 0.032 4.581 4.550 -0.001 0.000 0.288 407 Y C 2.375 178.190 175.900 -0.142 0.000 1.136 407 Y CA 0.549 58.804 58.100 0.257 0.000 1.147 407 Y CB 0.011 38.512 38.460 0.068 0.000 0.987 407 Y HN 0.053 nan 8.280 nan 0.000 0.509 408 I N 1.428 121.930 120.570 -0.112 0.000 3.369 408 I HA -0.228 3.941 4.170 -0.001 0.000 0.288 408 I C 1.740 177.745 176.117 -0.187 0.000 1.321 408 I CA 0.282 61.412 61.300 -0.283 0.000 1.358 408 I CB -0.129 37.751 38.000 -0.199 0.000 1.038 408 I HN 0.469 nan 8.210 nan 0.000 0.516 409 L N 0.315 121.487 121.223 -0.086 0.000 2.269 409 L HA 0.186 4.526 4.340 -0.001 0.000 0.200 409 L C 2.306 179.105 176.870 -0.117 0.000 1.069 409 L CA 1.614 56.431 54.840 -0.038 0.000 0.804 409 L CB -1.192 40.899 42.059 0.053 0.000 0.987 409 L HN 0.197 nan 8.230 nan 0.000 0.468 410 G N 0.789 109.524 108.800 -0.108 0.000 2.511 410 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.216 410 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.216 410 G C 1.469 175.691 174.900 -1.131 0.000 1.218 410 G CA 1.141 45.968 45.100 -0.455 0.000 0.788 410 G HN 0.390 nan 8.290 nan 0.000 0.560 411 M N 0.790 119.614 119.600 -1.293 0.000 2.617 411 M HA -0.038 4.441 4.480 -0.001 0.000 0.258 411 M C 2.347 178.462 176.300 -0.309 0.000 1.067 411 M CA 1.040 55.605 55.300 -1.225 0.000 1.057 411 M CB -0.270 31.743 32.600 -0.980 0.000 1.397 411 M HN 0.120 nan 8.290 nan 0.000 0.499 412 T N 0.102 114.533 114.554 -0.205 0.000 2.985 412 T HA -0.051 4.298 4.350 -0.001 0.000 0.266 412 T C 1.706 176.449 174.700 0.072 0.000 1.076 412 T CA 0.889 62.967 62.100 -0.037 0.000 1.135 412 T CB -0.208 68.644 68.868 -0.026 0.000 0.890 412 T HN 0.435 nan 8.240 nan 0.000 0.480 413 N N 0.852 119.625 118.700 0.122 0.000 2.106 413 N HA -0.088 4.651 4.740 -0.001 0.000 0.188 413 N C 1.597 177.387 175.510 0.466 0.000 1.029 413 N CA 1.145 54.378 53.050 0.306 0.000 0.848 413 N CB -0.304 38.465 38.487 0.470 0.000 1.007 413 N HN 0.614 nan 8.380 nan 0.000 0.423 414 W N 0.058 121.338 121.300 -0.034 0.000 2.632 414 W HA -0.091 4.569 4.660 -0.001 0.000 0.248 414 W C 1.368 177.855 176.519 -0.052 0.000 1.259 414 W CA -0.757 56.554 57.345 -0.057 0.000 1.288 414 W CB 0.250 29.649 29.460 -0.102 0.000 1.136 414 W HN 0.154 nan 8.180 nan 0.000 0.640 415 L N -1.011 120.330 121.223 0.197 0.000 2.879 415 L HA 0.163 4.502 4.340 -0.001 0.000 0.209 415 L C 2.107 179.017 176.870 0.066 0.000 1.461 415 L CA 0.936 55.830 54.840 0.090 0.000 2.632 415 L CB -0.835 41.246 42.059 0.036 0.000 2.474 415 L HN -0.318 nan 8.230 nan 0.000 0.919 416 T N 0.295 114.876 114.554 0.044 0.000 2.413 416 T HA -0.125 4.224 4.350 -0.001 0.000 0.244 416 T C -0.029 174.700 174.700 0.048 0.000 1.300 416 T CA 1.562 63.684 62.100 0.036 0.000 1.251 416 T CB -0.090 68.794 68.868 0.027 0.000 0.865 416 T HN 0.414 nan 8.240 nan 0.000 0.395 417 E N 0.111 120.345 120.200 0.057 0.000 2.565 417 E HA 0.247 4.597 4.350 -0.001 0.000 0.289 417 E C -1.892 174.747 176.600 0.065 0.000 1.182 417 E CA -0.517 55.922 56.400 0.066 0.000 0.932 417 E CB 0.283 30.013 29.700 0.049 0.000 1.145 417 E HN 0.649 nan 8.360 nan 0.000 0.440 418 Q N 2.067 121.915 119.800 0.079 0.000 2.633 418 Q HA 0.664 5.004 4.340 -0.001 0.000 0.289 418 Q C -2.370 173.676 176.000 0.077 0.000 0.940 418 Q CA -1.651 54.197 55.803 0.075 0.000 0.785 418 Q CB 1.579 30.368 28.738 0.085 0.000 1.467 418 Q HN 0.202 nan 8.270 nan 0.000 0.401 419 P HA 0.023 nan 4.420 nan 0.000 0.221 419 P C -0.381 176.959 177.300 0.067 0.000 1.150 419 P CA 0.822 63.957 63.100 0.058 0.000 0.800 419 P CB 0.386 32.115 31.700 0.048 0.000 0.787 420 L N -1.181 120.094 121.223 0.085 0.000 2.564 420 L HA 0.329 4.669 4.340 -0.001 0.000 0.259 420 L C 1.025 177.974 176.870 0.132 0.000 1.101 420 L CA -0.112 54.785 54.840 0.095 0.000 0.900 420 L CB 0.175 42.267 42.059 0.056 0.000 1.110 420 L HN 0.046 nan 8.230 nan 0.000 0.468 421 G N 2.358 111.291 108.800 0.222 0.000 2.581 421 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.223 421 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.223 421 G C 1.201 176.195 174.900 0.156 0.000 1.094 421 G CA 1.297 46.535 45.100 0.229 0.000 0.736 421 G HN 0.741 nan 8.290 nan 0.000 0.588 422 A N 1.661 124.569 122.820 0.146 0.000 1.831 422 A HA 0.089 4.409 4.320 -0.001 0.000 0.213 422 A C 2.254 179.843 177.584 0.008 0.000 1.223 422 A CA 2.063 54.124 52.037 0.040 0.000 0.604 422 A CB -0.554 18.403 19.000 -0.073 0.000 0.878 422 A HN 0.482 nan 8.150 nan 0.000 0.450 423 K N -0.564 119.811 120.400 -0.042 0.000 2.001 423 K HA -0.153 4.166 4.320 -0.001 0.000 0.223 423 K C 1.935 178.586 176.600 0.085 0.000 1.055 423 K CA 2.130 58.392 56.287 -0.041 0.000 0.965 423 K CB -1.415 31.082 32.500 -0.005 0.000 0.730 423 K HN 0.303 nan 8.250 nan 0.000 0.449 424 G N 0.875 109.745 108.800 0.117 0.000 2.507 424 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.221 424 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.221 424 G C 1.379 176.395 174.900 0.194 0.000 1.119 424 G CA 1.088 46.278 45.100 0.150 0.000 0.751 424 G HN 0.583 nan 8.290 nan 0.000 0.574 425 F N -1.074 118.911 119.950 0.059 0.000 2.234 425 F HA 0.149 4.676 4.527 -0.001 0.000 0.296 425 F C 2.400 178.388 175.800 0.314 0.000 1.089 425 F CA 0.601 58.653 58.000 0.087 0.000 1.343 425 F CB -0.387 38.587 39.000 -0.044 0.000 1.040 425 F HN 0.186 nan 8.300 nan 0.000 0.498 426 W N 1.367 122.336 121.300 -0.552 0.000 2.318 426 W HA -0.288 4.372 4.660 -0.001 0.000 0.313 426 W C 2.542 179.179 176.519 0.197 0.000 1.221 426 W CA 1.293 58.355 57.345 -0.470 0.000 1.266 426 W CB -0.311 28.769 29.460 -0.633 0.000 1.150 426 W HN 0.273 nan 8.180 nan 0.000 0.496 427 L N 0.580 122.109 121.223 0.510 0.000 2.012 427 L HA -0.102 4.238 4.340 -0.001 0.000 0.210 427 L C 2.375 179.387 176.870 0.236 0.000 1.073 427 L CA 2.384 57.497 54.840 0.455 0.000 0.748 427 L CB -1.375 40.880 42.059 0.328 0.000 0.891 427 L HN -0.011 nan 8.230 nan 0.000 0.431 428 G N -0.523 108.368 108.800 0.151 0.000 2.517 428 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.222 428 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.222 428 G C 1.401 176.324 174.900 0.037 0.000 1.109 428 G CA 1.098 46.243 45.100 0.076 0.000 0.746 428 G HN 0.547 nan 8.290 nan 0.000 0.576 429 F N 0.798 120.717 119.950 -0.052 0.000 2.134 429 F HA 0.034 4.560 4.527 -0.001 0.000 0.299 429 F C 2.367 178.159 175.800 -0.014 0.000 1.097 429 F CA 1.212 59.166 58.000 -0.076 0.000 1.264 429 F CB -0.128 38.799 39.000 -0.122 0.000 1.001 429 F HN 0.134 nan 8.300 nan 0.000 0.479 430 I N -0.125 120.559 120.570 0.191 0.000 2.163 430 I HA -0.351 3.818 4.170 -0.001 0.000 0.243 430 I C 2.194 178.287 176.117 -0.040 0.000 1.085 430 I CA 1.071 62.424 61.300 0.088 0.000 1.347 430 I CB -0.293 37.753 38.000 0.077 0.000 1.044 430 I HN 0.093 nan 8.210 nan 0.000 0.408 431 I N 1.117 121.670 120.570 -0.028 0.000 2.229 431 I HA -0.287 3.882 4.170 -0.001 0.000 0.250 431 I C 2.576 178.640 176.117 -0.089 0.000 1.096 431 I CA 1.853 63.124 61.300 -0.049 0.000 1.358 431 I CB -2.176 35.800 38.000 -0.041 0.000 1.047 431 I HN 0.335 nan 8.210 nan 0.000 0.422 432 G N 0.472 109.154 108.800 -0.196 0.000 2.414 432 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.215 432 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.215 432 G C 1.665 176.651 174.900 0.143 0.000 1.188 432 G CA 0.339 45.289 45.100 -0.250 0.000 0.783 432 G HN 0.301 nan 8.290 nan 0.000 0.537 433 L N 0.929 122.186 121.223 0.056 0.000 2.201 433 L HA 0.049 4.388 4.340 -0.001 0.000 0.212 433 L C 2.961 179.797 176.870 -0.057 0.000 1.105 433 L CA 1.699 56.583 54.840 0.073 0.000 0.775 433 L CB -0.259 41.686 42.059 -0.190 0.000 0.913 433 L HN 0.331 nan 8.230 nan 0.000 0.440 434 S N -1.146 114.518 115.700 -0.062 0.000 2.470 434 S HA 0.044 4.514 4.470 -0.001 0.000 0.225 434 S C 2.075 176.647 174.600 -0.047 0.000 1.006 434 S CA 0.732 58.892 58.200 -0.067 0.000 0.934 434 S CB 0.037 63.205 63.200 -0.054 0.000 0.778 434 S HN 0.374 nan 8.310 nan 0.000 0.517 435 A N 1.585 124.398 122.820 -0.011 0.000 1.843 435 A HA 0.407 4.726 4.320 -0.001 0.000 0.213 435 A C 2.485 180.072 177.584 0.006 0.000 1.202 435 A CA 1.426 53.465 52.037 0.004 0.000 0.607 435 A CB -1.519 17.492 19.000 0.019 0.000 0.847 435 A HN 0.706 nan 8.150 nan 0.000 0.445 436 A N 0.042 122.895 122.820 0.056 0.000 1.877 436 A HA 0.126 4.445 4.320 -0.001 0.000 0.216 436 A C 2.510 179.987 177.584 -0.178 0.000 1.186 436 A CA 2.338 54.325 52.037 -0.084 0.000 0.620 436 A CB -1.252 17.507 19.000 -0.402 0.000 0.822 436 A HN 1.249 nan 8.150 nan 0.000 0.443 437 A N -0.847 121.862 122.820 -0.184 0.000 2.054 437 A HA -0.172 4.147 4.320 -0.001 0.000 0.223 437 A C 2.133 179.627 177.584 -0.151 0.000 1.169 437 A CA 1.993 53.918 52.037 -0.187 0.000 0.655 437 A CB -0.568 18.339 19.000 -0.154 0.000 0.812 437 A HN 0.657 nan 8.150 nan 0.000 0.462 438 L N -1.224 119.932 121.223 -0.112 0.000 2.095 438 L HA -0.069 4.270 4.340 -0.001 0.000 0.204 438 L C 2.427 179.231 176.870 -0.111 0.000 1.080 438 L CA 1.552 56.333 54.840 -0.097 0.000 0.759 438 L CB -0.401 41.619 42.059 -0.066 0.000 0.914 438 L HN 0.297 nan 8.230 nan 0.000 0.439 439 M N -0.736 118.802 119.600 -0.105 0.000 2.108 439 M HA -0.249 4.230 4.480 -0.001 0.000 0.257 439 M C 2.052 178.266 176.300 -0.144 0.000 1.071 439 M CA 1.651 56.889 55.300 -0.104 0.000 1.093 439 M CB -1.347 31.201 32.600 -0.087 0.000 1.345 439 M HN 0.233 nan 8.290 nan 0.000 0.403 440 L N -1.075 120.032 121.223 -0.193 0.000 2.313 440 L HA 0.035 4.374 4.340 -0.001 0.000 0.214 440 L C 2.596 179.320 176.870 -0.244 0.000 1.119 440 L CA 1.319 56.022 54.840 -0.229 0.000 0.809 440 L CB -2.329 39.570 42.059 -0.268 0.000 0.933 440 L HN 0.331 nan 8.230 nan 0.000 0.449 441 G N -0.649 108.025 108.800 -0.209 0.000 2.432 441 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.219 441 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.219 441 G C 1.402 176.169 174.900 -0.221 0.000 1.135 441 G CA 0.085 45.056 45.100 -0.214 0.000 0.767 441 G HN 0.422 nan 8.290 nan 0.000 0.550 442 Q N -0.601 119.094 119.800 -0.176 0.000 2.365 442 Q HA 0.186 4.526 4.340 -0.001 0.000 0.203 442 Q C 1.876 177.774 176.000 -0.169 0.000 0.929 442 Q CA -0.296 55.421 55.803 -0.143 0.000 0.948 442 Q CB 0.272 28.958 28.738 -0.088 0.000 1.043 442 Q HN 0.166 nan 8.270 nan 0.000 0.505 443 R N 1.009 121.355 120.500 -0.257 0.000 2.362 443 R HA 0.082 4.421 4.340 -0.001 0.000 0.227 443 R C 0.423 176.429 176.300 -0.490 0.000 0.905 443 R CA -0.230 55.656 56.100 -0.356 0.000 1.067 443 R CB -0.030 30.042 30.300 -0.379 0.000 1.078 443 R HN 0.280 nan 8.270 nan 0.000 0.516 444 L N 3.186 124.149 121.223 -0.434 0.000 4.455 444 L HA -0.236 4.103 4.340 -0.001 0.000 0.326 444 L C -0.719 175.822 176.870 -0.548 0.000 1.204 444 L CA 1.192 55.659 54.840 -0.622 0.000 1.092 444 L CB -1.081 40.741 42.059 -0.395 0.000 1.655 444 L HN 0.405 nan 8.230 nan 0.000 0.361 445 Y N 3.729 123.835 120.300 -0.324 0.000 3.140 445 Y HA -0.325 4.225 4.550 -0.001 0.000 0.216 445 Y C 1.317 177.256 175.900 0.065 0.000 1.147 445 Y CA 1.129 59.050 58.100 -0.297 0.000 1.214 445 Y CB -2.590 35.908 38.460 0.063 0.000 1.280 445 Y HN 0.681 nan 8.280 nan 0.000 0.588 446 W N -2.857 118.485 121.300 0.070 0.000 2.152 446 W HA -0.381 4.278 4.660 -0.001 0.000 0.285 446 W C 1.397 177.952 176.519 0.060 0.000 1.275 446 W CA 0.809 58.183 57.345 0.048 0.000 1.220 446 W CB -1.858 27.639 29.460 0.063 0.000 0.889 446 W HN 0.185 nan 8.180 nan 0.000 0.529 447 L N 1.556 123.034 121.223 0.426 0.000 2.939 447 L HA 0.407 4.747 4.340 -0.001 0.000 0.239 447 L C 0.911 177.951 176.870 0.283 0.000 1.325 447 L CA 0.501 55.491 54.840 0.251 0.000 1.170 447 L CB -0.644 41.516 42.059 0.168 0.000 1.538 447 L HN 0.417 nan 8.230 nan 0.000 0.452 448 Q N 0.141 120.186 119.800 0.410 0.000 1.555 448 Q HA -0.251 4.088 4.340 -0.001 0.000 0.344 448 Q C -0.140 176.109 176.000 0.415 0.000 0.887 448 Q CA 2.047 58.129 55.803 0.465 0.000 0.829 448 Q CB -0.881 28.040 28.738 0.304 0.000 3.625 448 Q HN 0.723 nan 8.270 nan 0.000 0.622 449 K N 0.489 121.014 120.400 0.208 0.000 2.656 449 K HA 0.310 4.629 4.320 -0.001 0.000 0.253 449 K C -0.591 176.026 176.600 0.030 0.000 1.002 449 K CA -0.577 55.775 56.287 0.107 0.000 0.880 449 K CB 2.084 34.614 32.500 0.050 0.000 1.232 449 K HN 0.396 nan 8.250 nan 0.000 0.456 450 Q N 1.360 121.159 119.800 -0.002 0.000 2.377 450 Q HA 0.091 4.431 4.340 -0.001 0.000 0.193 450 Q C 1.135 177.109 176.000 -0.042 0.000 0.986 450 Q CA 1.663 57.456 55.803 -0.017 0.000 0.851 450 Q CB 0.074 28.801 28.738 -0.018 0.000 0.986 450 Q HN 0.824 nan 8.270 nan 0.000 0.559 451 S N -0.944 114.718 115.700 -0.064 0.000 2.927 451 S HA 0.129 4.599 4.470 -0.001 0.000 0.246 451 S C -0.288 174.247 174.600 -0.109 0.000 0.907 451 S CA -0.326 57.829 58.200 -0.076 0.000 1.326 451 S CB 0.130 63.295 63.200 -0.058 0.000 1.216 451 S HN -0.028 nan 8.310 nan 0.000 0.652 452 D N 3.072 123.389 120.400 -0.137 0.000 2.336 452 D HA 0.058 4.698 4.640 -0.001 0.000 0.229 452 D C 1.456 177.584 176.300 -0.287 0.000 1.061 452 D CA 0.742 54.616 54.000 -0.211 0.000 0.875 452 D CB 0.124 40.777 40.800 -0.245 0.000 0.904 452 D HN 0.750 nan 8.370 nan 0.000 0.525 453 D N -0.075 120.188 120.400 -0.227 0.000 2.120 453 D HA -0.104 4.535 4.640 -0.001 0.000 0.202 453 D C 1.889 178.000 176.300 -0.316 0.000 0.972 453 D CA 0.275 54.105 54.000 -0.282 0.000 0.837 453 D CB -0.536 40.148 40.800 -0.192 0.000 0.989 453 D HN 0.078 nan 8.370 nan 0.000 0.469 454 V N 0.500 120.314 119.914 -0.167 0.000 3.380 454 V HA -0.109 4.010 4.120 -0.001 0.000 0.268 454 V C 2.257 178.296 176.094 -0.091 0.000 1.168 454 V CA 1.050 63.304 62.300 -0.076 0.000 1.156 454 V CB -0.303 31.497 31.823 -0.039 0.000 0.785 454 V HN 0.148 nan 8.190 nan 0.000 0.487 455 Q N -0.218 119.486 119.800 -0.159 0.000 2.187 455 Q HA -0.049 4.290 4.340 -0.001 0.000 0.199 455 Q C 1.966 177.861 176.000 -0.174 0.000 0.957 455 Q CA 1.490 57.202 55.803 -0.152 0.000 0.857 455 Q CB -0.032 28.597 28.738 -0.182 0.000 0.929 455 Q HN 0.670 nan 8.270 nan 0.000 0.453 456 L N -0.652 120.402 121.223 -0.283 0.000 2.313 456 L HA -0.068 4.272 4.340 -0.001 0.000 0.214 456 L C 0.821 177.623 176.870 -0.113 0.000 1.119 456 L CA 0.755 55.425 54.840 -0.283 0.000 0.809 456 L CB -0.145 41.640 42.059 -0.456 0.000 0.933 456 L HN 0.229 nan 8.230 nan 0.000 0.449 457 H N -1.376 117.651 119.070 -0.073 0.000 2.467 457 H HA 0.206 4.762 4.556 -0.001 0.000 0.275 457 H C 0.528 175.819 175.328 -0.062 0.000 1.131 457 H CA -0.361 55.651 56.048 -0.060 0.000 0.989 457 H CB 0.897 30.619 29.762 -0.066 0.000 1.696 457 H HN 0.066 nan 8.280 nan 0.000 0.574 458 L N -0.513 120.728 121.223 0.030 0.000 3.174 458 L HA 0.377 4.717 4.340 -0.001 0.000 0.283 458 L C 1.462 178.321 176.870 -0.019 0.000 1.187 458 L CA 0.445 55.279 54.840 -0.010 0.000 1.018 458 L CB 0.956 42.992 42.059 -0.038 0.000 1.433 458 L HN 0.276 nan 8.230 nan 0.000 0.593 459 A N -1.720 121.095 122.820 -0.008 0.000 2.551 459 A HA 0.772 5.092 4.320 -0.001 0.000 0.252 459 A C 1.448 179.039 177.584 0.012 0.000 1.199 459 A CA 0.706 52.735 52.037 -0.013 0.000 0.972 459 A CB 0.212 19.195 19.000 -0.028 0.000 1.153 459 A HN 0.144 nan 8.150 nan 0.000 0.559 460 A N -0.983 121.864 122.820 0.045 0.000 2.140 460 A HA 0.459 4.779 4.320 -0.001 0.000 0.199 460 A C 1.027 178.613 177.584 0.003 0.000 1.416 460 A CA 0.677 52.748 52.037 0.057 0.000 1.018 460 A CB 0.018 19.128 19.000 0.182 0.000 1.117 460 A HN 0.162 nan 8.150 nan 0.000 0.480 461 K N 0.000 120.407 120.400 0.012 0.000 2.780 461 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 461 K CA 0.000 56.271 56.287 -0.026 0.000 0.838 461 K CB 0.000 32.481 32.500 -0.031 0.000 1.064 461 K HN 0.000 nan 8.250 nan 0.000 0.543