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 3dlh_1_A DATA FIRST_RESID 3 DATA SEQUENCE HLGKTEVFLN RFALRPLNPE ELRPWRLEVV LDPPPGREEV YPLLAQVARR DATA SEQUENCE AGGVTVRMGD GLASWSPPEV LVLEGTLARM GQTYAYRLYP KGRRPLDPKD DATA SEQUENCE PGERSVLSAL ARRLLQERLR RLEGVWVEGL AVYRREHARG PGWRVLGGAV DATA SEQUENCE LDLWVSDSGA FLLEVDPAYR ILCEMSLEAW LAQGHPLPKR VRNAYDRRTW DATA SEQUENCE ELLRLGEEDP KELPLPGGLS LLDYHASKGR LQGREGGRVA WVADPKDPRK DATA SEQUENCE PIPHLTGLLV PVLTLEDLHE XXXSLALSLP WEERRRRTRE IASWIGRRLG DATA SEQUENCE LGTPEAVRAQ AYRLSIPKLM GRRAVSKPAD ALRVGFYRAQ ETALALLRLD DATA SEQUENCE GAQGWPEFLR RALLRAFGAS GASLRLHTLH AHPSQGLAFR EALRKAKEEG DATA SEQUENCE VQAVLVLTPP MAWEDRNRLK ALLLREGLPS QILNVPLREE ERHRWENALL DATA SEQUENCE GLLAKAGLQV VALSGAYPAE LAVGFDAGGR ESFRFGGAAC AVGXXGGHLL DATA SEQUENCE WTLPEXXXXX RIPQEVVWDL LEETLWAFRR KAGRLPSRVL LLRDGRVPQD DATA SEQUENCE EFALALEALA REGIAYDLVS VRKSGGGRVY PVQGRLADGL YVPLEDKTFL DATA SEQUENCE LLTVHRDFRG TPRPLKLVHE AGDTPLEALA HQIFHLTRLY PASGFAFPRL DATA SEQUENCE PAPLHLADRL VKEVGRLGIR HLKEVDREKL FFV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.372 175.328 0.073 0.000 0.993 3 H CA 0.000 56.073 56.048 0.041 0.000 1.023 3 H CB 0.000 29.805 29.762 0.071 0.000 1.292 4 L N 2.212 123.449 121.223 0.024 0.000 2.462 4 L HA 0.432 4.779 4.340 0.011 0.000 0.272 4 L C 1.527 178.499 176.870 0.169 0.000 1.166 4 L CA 1.132 56.010 54.840 0.062 0.000 0.880 4 L CB 0.985 43.039 42.059 -0.008 0.000 1.142 4 L HN 1.612 nan 8.230 nan 0.000 0.473 5 G N 3.114 112.120 108.800 0.344 0.000 2.351 5 G HA2 -0.239 3.727 3.960 0.011 0.000 0.297 5 G HA3 -0.239 3.727 3.960 0.011 0.000 0.297 5 G C 0.754 175.702 174.900 0.080 0.000 1.054 5 G CA 0.151 45.365 45.100 0.191 0.000 1.123 5 G HN 0.771 nan 8.290 nan 0.000 0.512 6 K N -0.911 119.528 120.400 0.065 0.000 2.161 6 K HA 0.202 4.529 4.320 0.011 0.000 0.205 6 K C 1.281 177.847 176.600 -0.057 0.000 1.035 6 K CA 1.176 57.470 56.287 0.012 0.000 0.970 6 K CB 0.176 32.702 32.500 0.043 0.000 0.866 6 K HN 0.538 nan 8.250 nan 0.000 0.461 7 T N -0.087 114.395 114.554 -0.121 0.000 2.804 7 T HA 0.354 4.710 4.350 0.011 0.000 0.290 7 T C -1.784 172.785 174.700 -0.219 0.000 1.099 7 T CA -0.683 61.328 62.100 -0.147 0.000 1.011 7 T CB 2.387 71.183 68.868 -0.119 0.000 1.291 7 T HN 0.125 nan 8.240 nan 0.000 0.523 8 E N 0.374 120.449 120.200 -0.209 0.000 2.293 8 E HA 0.660 5.017 4.350 0.011 0.000 0.270 8 E C -1.278 175.155 176.600 -0.279 0.000 0.879 8 E CA -0.892 55.359 56.400 -0.249 0.000 0.756 8 E CB 2.027 31.586 29.700 -0.236 0.000 1.208 8 E HN 0.652 nan 8.360 nan 0.000 0.428 9 V N -0.545 119.193 119.914 -0.293 0.000 3.159 9 V HA 0.621 4.748 4.120 0.011 0.000 0.308 9 V C -1.036 174.892 176.094 -0.276 0.000 1.190 9 V CA -1.030 61.101 62.300 -0.283 0.000 1.037 9 V CB 1.281 33.003 31.823 -0.169 0.000 1.060 9 V HN 0.511 nan 8.190 nan 0.000 0.437 10 F N 1.605 121.559 119.950 0.006 0.000 2.394 10 F HA 0.718 5.252 4.527 0.011 0.000 0.340 10 F C 0.384 176.186 175.800 0.003 0.000 1.105 10 F CA -0.739 57.275 58.000 0.023 0.000 1.124 10 F CB 1.170 40.239 39.000 0.115 0.000 1.145 10 F HN 0.393 nan 8.300 nan 0.000 0.505 11 L N 1.878 123.207 121.223 0.177 0.000 2.416 11 L HA 0.311 4.658 4.340 0.011 0.000 0.263 11 L C 1.069 177.952 176.870 0.023 0.000 1.065 11 L CA -0.698 54.173 54.840 0.052 0.000 0.798 11 L CB 0.646 42.716 42.059 0.019 0.000 1.267 11 L HN 0.486 nan 8.230 nan 0.000 0.467 12 N N -0.274 118.447 118.700 0.035 0.000 2.501 12 N HA 0.016 4.763 4.740 0.011 0.000 0.195 12 N C -0.306 175.222 175.510 0.030 0.000 1.213 12 N CA 0.210 53.322 53.050 0.103 0.000 0.864 12 N CB 0.152 38.714 38.487 0.126 0.000 0.999 12 N HN 0.357 nan 8.380 nan 0.000 0.454 13 R N -0.610 119.803 120.500 -0.145 0.000 2.720 13 R HA 0.457 4.804 4.340 0.011 0.000 0.272 13 R C -1.095 174.925 176.300 -0.466 0.000 0.991 13 R CA -0.553 55.476 56.100 -0.118 0.000 1.010 13 R CB 1.148 31.454 30.300 0.010 0.000 1.141 13 R HN -0.037 nan 8.270 nan 0.000 0.494 14 F N 0.090 120.019 119.950 -0.036 0.000 2.573 14 F HA 0.417 4.951 4.527 0.011 0.000 0.316 14 F C -0.086 175.665 175.800 -0.081 0.000 1.148 14 F CA -0.957 57.017 58.000 -0.044 0.000 0.940 14 F CB 1.891 40.862 39.000 -0.047 0.000 1.214 14 F HN 0.570 nan 8.300 nan 0.000 0.448 15 A N 4.450 127.329 122.820 0.100 0.000 2.401 15 A HA 0.799 5.126 4.320 0.011 0.000 0.259 15 A C -0.617 176.999 177.584 0.053 0.000 1.103 15 A CA -0.124 51.933 52.037 0.033 0.000 0.789 15 A CB 0.398 19.409 19.000 0.019 0.000 1.035 15 A HN 0.816 nan 8.150 nan 0.000 0.491 16 L N 0.927 122.174 121.223 0.040 0.000 2.230 16 L HA 0.582 4.928 4.340 0.011 0.000 0.255 16 L C 0.822 177.732 176.870 0.067 0.000 1.039 16 L CA -1.371 53.497 54.840 0.048 0.000 0.846 16 L CB 1.266 43.346 42.059 0.036 0.000 1.419 16 L HN 1.014 nan 8.230 nan 0.000 0.435 17 R N 0.255 120.794 120.500 0.064 0.000 2.767 17 R HA 0.073 4.419 4.340 0.011 0.000 0.264 17 R C -2.617 173.736 176.300 0.088 0.000 0.987 17 R CA -0.538 55.599 56.100 0.062 0.000 1.114 17 R CB -0.663 29.665 30.300 0.047 0.000 0.976 17 R HN 0.158 nan 8.270 nan 0.000 0.437 18 P HA 0.144 nan 4.420 nan 0.000 0.278 18 P C -1.012 176.248 177.300 -0.067 0.000 1.266 18 P CA -0.670 62.401 63.100 -0.047 0.000 0.807 18 P CB 0.526 32.195 31.700 -0.051 0.000 1.094 19 L N 1.751 122.848 121.223 -0.211 0.000 2.367 19 L HA 0.230 4.576 4.340 0.011 0.000 0.275 19 L C 0.953 177.743 176.870 -0.133 0.000 1.129 19 L CA 0.139 54.842 54.840 -0.228 0.000 0.839 19 L CB -0.824 41.017 42.059 -0.364 0.000 1.133 19 L HN 0.400 nan 8.230 nan 0.000 0.453 20 N N 4.712 123.339 118.700 -0.121 0.000 2.399 20 N HA 0.217 4.964 4.740 0.011 0.000 0.250 20 N C -1.913 173.530 175.510 -0.112 0.000 1.272 20 N CA -1.225 51.763 53.050 -0.104 0.000 0.928 20 N CB -0.191 38.236 38.487 -0.100 0.000 1.158 20 N HN 0.362 nan 8.380 nan 0.000 0.463 21 P HA -0.225 nan 4.420 nan 0.000 0.216 21 P C 0.402 177.652 177.300 -0.084 0.000 1.154 21 P CA 1.653 64.710 63.100 -0.073 0.000 0.865 21 P CB 0.184 31.848 31.700 -0.061 0.000 0.789 22 E N 0.272 120.408 120.200 -0.106 0.000 2.153 22 E HA -0.160 4.197 4.350 0.011 0.000 0.194 22 E C 2.073 178.593 176.600 -0.133 0.000 0.988 22 E CA 1.125 57.456 56.400 -0.114 0.000 0.811 22 E CB -0.685 28.954 29.700 -0.102 0.000 0.746 22 E HN 0.510 nan 8.360 nan 0.000 0.466 23 E N 0.113 120.162 120.200 -0.251 0.000 2.152 23 E HA -0.064 4.293 4.350 0.011 0.000 0.192 23 E C 1.752 178.453 176.600 0.168 0.000 0.983 23 E CA 0.482 56.639 56.400 -0.404 0.000 0.818 23 E CB -0.067 29.188 29.700 -0.742 0.000 0.758 23 E HN 0.249 nan 8.360 nan 0.000 0.467 24 L N 0.568 121.819 121.223 0.048 0.000 2.551 24 L HA -0.045 4.302 4.340 0.011 0.000 0.228 24 L C 0.689 177.612 176.870 0.088 0.000 1.153 24 L CA 0.689 55.577 54.840 0.081 0.000 0.851 24 L CB -0.004 42.058 42.059 0.004 0.000 0.959 24 L HN -0.045 nan 8.230 nan 0.000 0.451 25 R N 0.258 120.806 120.500 0.081 0.000 2.644 25 R HA 0.268 4.614 4.340 0.011 0.000 0.271 25 R C -2.537 173.791 176.300 0.046 0.000 1.687 25 R CA -1.496 54.620 56.100 0.026 0.000 1.655 25 R CB 0.540 30.802 30.300 -0.063 0.000 1.285 25 R HN -0.077 nan 8.270 nan 0.000 0.643 26 P HA -0.032 nan 4.420 nan 0.000 0.271 26 P C -0.562 176.838 177.300 0.166 0.000 1.233 26 P CA -0.176 63.110 63.100 0.309 0.000 0.789 26 P CB 0.701 32.546 31.700 0.242 0.000 0.951 27 W N 1.237 122.615 121.300 0.130 0.000 2.218 27 W HA 0.344 5.010 4.660 0.011 0.000 0.326 27 W C 1.340 177.893 176.519 0.056 0.000 1.276 27 W CA -0.009 57.385 57.345 0.083 0.000 1.210 27 W CB 0.123 29.630 29.460 0.078 0.000 1.143 27 W HN 0.332 nan 8.180 nan 0.000 0.563 28 R N 2.924 123.584 120.500 0.267 0.000 2.294 28 R HA 0.643 4.990 4.340 0.011 0.000 0.319 28 R C -1.583 174.822 176.300 0.175 0.000 0.984 28 R CA -0.572 55.628 56.100 0.168 0.000 0.861 28 R CB 0.438 30.803 30.300 0.109 0.000 1.104 28 R HN 0.523 nan 8.270 nan 0.000 0.451 29 L N 3.012 124.315 121.223 0.133 0.000 2.322 29 L HA 0.426 4.772 4.340 0.011 0.000 0.281 29 L C -0.220 176.720 176.870 0.117 0.000 1.014 29 L CA -0.671 54.244 54.840 0.125 0.000 0.815 29 L CB 1.837 43.947 42.059 0.087 0.000 1.247 29 L HN 0.677 nan 8.230 nan 0.000 0.421 30 E N 1.205 121.499 120.200 0.156 0.000 2.301 30 E HA 0.572 4.929 4.350 0.011 0.000 0.275 30 E C -1.247 175.471 176.600 0.197 0.000 1.030 30 E CA -0.263 56.230 56.400 0.156 0.000 0.852 30 E CB 1.319 31.115 29.700 0.161 0.000 1.060 30 E HN 0.295 nan 8.360 nan 0.000 0.401 31 V N 3.967 123.971 119.914 0.150 0.000 2.628 31 V HA 0.469 4.595 4.120 0.011 0.000 0.306 31 V C -0.725 175.469 176.094 0.167 0.000 1.045 31 V CA -0.896 61.501 62.300 0.161 0.000 0.905 31 V CB 1.963 33.835 31.823 0.081 0.000 0.997 31 V HN 0.465 nan 8.190 nan 0.000 0.436 32 V N 5.875 125.924 119.914 0.225 0.000 2.444 32 V HA 0.506 4.633 4.120 0.011 0.000 0.294 32 V C -0.448 175.752 176.094 0.177 0.000 1.022 32 V CA -0.371 62.043 62.300 0.189 0.000 0.850 32 V CB 1.649 33.626 31.823 0.258 0.000 0.992 32 V HN 0.640 nan 8.190 nan 0.000 0.426 33 L N 4.415 125.717 121.223 0.133 0.000 2.329 33 L HA 0.700 5.047 4.340 0.011 0.000 0.279 33 L C -0.615 176.357 176.870 0.170 0.000 1.014 33 L CA -0.252 54.679 54.840 0.152 0.000 0.814 33 L CB 1.922 44.032 42.059 0.086 0.000 1.257 33 L HN 0.591 nan 8.230 nan 0.000 0.424 34 D N 4.540 125.067 120.400 0.211 0.000 2.736 34 D HA 0.301 4.948 4.640 0.011 0.000 0.243 34 D C -2.752 173.640 176.300 0.154 0.000 1.304 34 D CA -1.355 52.741 54.000 0.159 0.000 0.934 34 D CB 2.885 43.747 40.800 0.103 0.000 1.382 34 D HN 0.123 nan 8.370 nan 0.000 0.571 35 P HA 0.286 nan 4.420 nan 0.000 0.274 35 P C -2.659 174.753 177.300 0.186 0.000 1.231 35 P CA -1.304 61.850 63.100 0.091 0.000 0.790 35 P CB -0.142 31.559 31.700 0.001 0.000 0.951 36 P HA 0.138 nan 4.420 nan 0.000 0.260 36 P C -2.060 175.324 177.300 0.140 0.000 1.185 36 P CA -0.197 62.970 63.100 0.111 0.000 0.763 36 P CB -0.960 30.777 31.700 0.062 0.000 0.776 37 P HA 0.269 nan 4.420 nan 0.000 0.275 37 P C 0.037 177.373 177.300 0.060 0.000 1.270 37 P CA -0.255 62.923 63.100 0.130 0.000 0.791 37 P CB 0.604 32.309 31.700 0.009 0.000 1.089 38 G N -0.700 108.126 108.800 0.045 0.000 2.416 38 G HA2 0.293 4.260 3.960 0.011 0.000 0.324 38 G HA3 0.293 4.260 3.960 0.011 0.000 0.324 38 G C 0.616 175.500 174.900 -0.027 0.000 1.194 38 G CA -0.426 44.682 45.100 0.014 0.000 0.922 38 G HN 0.518 nan 8.290 nan 0.000 0.467 39 R N 1.379 121.849 120.500 -0.051 0.000 2.335 39 R HA -0.316 4.030 4.340 0.011 0.000 0.224 39 R C 1.545 177.767 176.300 -0.130 0.000 1.071 39 R CA 2.779 58.820 56.100 -0.099 0.000 0.786 39 R CB -0.329 29.926 30.300 -0.075 0.000 0.969 39 R HN 0.558 nan 8.270 nan 0.000 0.375 40 E N -0.319 119.839 120.200 -0.069 0.000 2.526 40 E HA -0.065 4.292 4.350 0.011 0.000 0.198 40 E C 0.584 177.173 176.600 -0.019 0.000 1.091 40 E CA 0.784 57.159 56.400 -0.042 0.000 0.880 40 E CB 0.304 30.004 29.700 0.000 0.000 0.873 40 E HN 0.532 nan 8.360 nan 0.000 0.527 41 E N -1.160 119.018 120.200 -0.038 0.000 2.562 41 E HA 0.040 4.397 4.350 0.011 0.000 0.214 41 E C 1.227 177.786 176.600 -0.068 0.000 0.979 41 E CA -0.001 56.386 56.400 -0.023 0.000 1.002 41 E CB 0.833 30.541 29.700 0.013 0.000 1.048 41 E HN 0.067 nan 8.360 nan 0.000 0.488 42 V N 0.668 120.518 119.914 -0.106 0.000 2.283 42 V HA -0.240 3.887 4.120 0.011 0.000 0.243 42 V C 1.836 177.915 176.094 -0.025 0.000 1.039 42 V CA 1.492 63.720 62.300 -0.120 0.000 1.016 42 V CB -0.588 31.117 31.823 -0.196 0.000 0.650 42 V HN 0.233 nan 8.190 nan 0.000 0.449 43 Y N 0.548 120.817 120.300 -0.051 0.000 2.102 43 Y HA -0.149 4.407 4.550 0.011 0.000 0.280 43 Y C 0.327 176.189 175.900 -0.063 0.000 1.178 43 Y CA 1.413 59.482 58.100 -0.051 0.000 1.146 43 Y CB -2.413 36.023 38.460 -0.039 0.000 0.968 43 Y HN 0.361 nan 8.280 nan 0.000 0.504 44 P HA -0.143 nan 4.420 nan 0.000 0.213 44 P C 1.969 179.251 177.300 -0.031 0.000 1.170 44 P CA 1.465 64.579 63.100 0.023 0.000 0.893 44 P CB -0.134 31.574 31.700 0.014 0.000 0.784 45 L N -1.323 119.853 121.223 -0.078 0.000 2.021 45 L HA -0.242 4.104 4.340 0.011 0.000 0.215 45 L C 2.545 179.341 176.870 -0.122 0.000 1.074 45 L CA 1.582 56.330 54.840 -0.153 0.000 0.760 45 L CB -1.157 40.735 42.059 -0.278 0.000 0.889 45 L HN -0.038 nan 8.230 nan 0.000 0.433 46 L N -0.711 120.468 121.223 -0.074 0.000 1.971 46 L HA -0.285 4.062 4.340 0.011 0.000 0.215 46 L C 2.914 179.736 176.870 -0.080 0.000 1.072 46 L CA 1.456 56.259 54.840 -0.061 0.000 0.758 46 L CB -0.875 41.190 42.059 0.010 0.000 0.889 46 L HN 0.303 nan 8.230 nan 0.000 0.433 47 A N -0.336 122.453 122.820 -0.053 0.000 1.869 47 A HA -0.384 3.943 4.320 0.011 0.000 0.218 47 A C 2.241 179.772 177.584 -0.088 0.000 1.203 47 A CA 2.465 54.462 52.037 -0.066 0.000 0.638 47 A CB -0.974 17.994 19.000 -0.053 0.000 0.831 47 A HN 0.551 nan 8.150 nan 0.000 0.450 48 Q N -0.621 119.127 119.800 -0.087 0.000 2.133 48 Q HA -0.179 4.168 4.340 0.011 0.000 0.208 48 Q C 1.942 177.851 176.000 -0.153 0.000 0.991 48 Q CA 2.349 58.096 55.803 -0.094 0.000 0.867 48 Q CB -0.310 28.382 28.738 -0.076 0.000 0.911 48 Q HN 0.431 nan 8.270 nan 0.000 0.417 49 V N 0.688 120.469 119.914 -0.222 0.000 2.358 49 V HA -0.248 3.879 4.120 0.011 0.000 0.246 49 V C 2.315 178.217 176.094 -0.320 0.000 1.047 49 V CA 1.674 63.728 62.300 -0.410 0.000 1.035 49 V CB -1.034 30.495 31.823 -0.490 0.000 0.658 49 V HN 0.549 nan 8.190 nan 0.000 0.452 50 A N -0.653 122.048 122.820 -0.198 0.000 2.076 50 A HA -0.236 4.091 4.320 0.011 0.000 0.220 50 A C 2.396 179.910 177.584 -0.116 0.000 1.160 50 A CA 1.825 53.778 52.037 -0.139 0.000 0.653 50 A CB -0.503 18.435 19.000 -0.103 0.000 0.801 50 A HN 0.485 nan 8.150 nan 0.000 0.455 51 R N -1.311 119.119 120.500 -0.116 0.000 2.080 51 R HA 0.020 4.367 4.340 0.011 0.000 0.222 51 R C 2.222 178.479 176.300 -0.072 0.000 1.107 51 R CA 0.434 56.486 56.100 -0.079 0.000 0.980 51 R CB -0.095 30.166 30.300 -0.064 0.000 0.879 51 R HN 0.287 nan 8.270 nan 0.000 0.439 52 R N 0.247 120.682 120.500 -0.109 0.000 2.092 52 R HA 0.007 4.354 4.340 0.011 0.000 0.231 52 R C 2.024 178.307 176.300 -0.028 0.000 1.119 52 R CA 1.294 57.358 56.100 -0.060 0.000 0.970 52 R CB -0.716 29.541 30.300 -0.073 0.000 0.864 52 R HN 0.203 nan 8.270 nan 0.000 0.440 53 A N 0.466 123.228 122.820 -0.098 0.000 2.019 53 A HA 0.090 4.417 4.320 0.011 0.000 0.219 53 A C 1.235 178.810 177.584 -0.016 0.000 1.164 53 A CA 1.601 53.619 52.037 -0.031 0.000 0.644 53 A CB -0.540 18.414 19.000 -0.078 0.000 0.805 53 A HN 0.504 nan 8.150 nan 0.000 0.449 54 G N -2.525 106.258 108.800 -0.029 0.000 2.584 54 G HA2 0.329 4.296 3.960 0.011 0.000 0.229 54 G HA3 0.329 4.296 3.960 0.011 0.000 0.229 54 G C 1.159 176.049 174.900 -0.018 0.000 1.320 54 G CA 0.329 45.419 45.100 -0.017 0.000 0.891 54 G HN 2.387 nan 8.290 nan 0.000 0.573 55 G N -2.329 106.466 108.800 -0.007 0.000 2.649 55 G HA2 0.133 4.100 3.960 0.011 0.000 0.281 55 G HA3 0.133 4.100 3.960 0.011 0.000 0.281 55 G C 0.343 175.253 174.900 0.017 0.000 1.325 55 G CA 0.736 45.841 45.100 0.007 0.000 0.916 55 G HN 2.006 nan 8.290 nan 0.000 0.562 56 V N 1.629 121.577 119.914 0.057 0.000 2.267 56 V HA 0.556 4.683 4.120 0.011 0.000 0.254 56 V C 0.823 176.919 176.094 0.003 0.000 1.144 56 V CA 0.900 63.236 62.300 0.060 0.000 0.992 56 V CB 0.218 32.157 31.823 0.195 0.000 1.199 56 V HN 1.089 nan 8.190 nan 0.000 0.493 57 T N 3.955 118.483 114.554 -0.043 0.000 2.912 57 T HA 0.788 5.145 4.350 0.011 0.000 0.299 57 T C -0.868 173.776 174.700 -0.093 0.000 1.052 57 T CA -0.279 61.780 62.100 -0.068 0.000 0.996 57 T CB 1.798 70.639 68.868 -0.044 0.000 1.070 57 T HN 0.200 nan 8.240 nan 0.000 0.465 58 V N 3.005 122.855 119.914 -0.107 0.000 3.167 58 V HA 0.652 4.779 4.120 0.011 0.000 0.310 58 V C -0.090 175.955 176.094 -0.080 0.000 1.207 58 V CA -1.399 60.839 62.300 -0.104 0.000 1.059 58 V CB 2.104 33.846 31.823 -0.135 0.000 1.079 58 V HN 0.913 nan 8.190 nan 0.000 0.446 59 R N 1.651 122.106 120.500 -0.075 0.000 2.390 59 R HA 0.598 4.945 4.340 0.011 0.000 0.291 59 R C -0.777 175.496 176.300 -0.045 0.000 1.070 59 R CA -0.289 55.782 56.100 -0.049 0.000 1.014 59 R CB 0.640 30.913 30.300 -0.045 0.000 1.007 59 R HN 0.792 nan 8.270 nan 0.000 0.466 60 M N 5.769 125.360 119.600 -0.015 0.000 2.031 60 M HA 0.243 4.730 4.480 0.011 0.000 0.273 60 M C -0.114 176.201 176.300 0.026 0.000 0.904 60 M CA 0.312 55.607 55.300 -0.007 0.000 0.963 60 M CB 1.170 33.765 32.600 -0.009 0.000 1.707 60 M HN 0.958 nan 8.290 nan 0.000 0.427 61 G N 3.884 112.710 108.800 0.044 0.000 2.514 61 G HA2 -0.327 3.640 3.960 0.011 0.000 0.265 61 G HA3 -0.327 3.640 3.960 0.011 0.000 0.265 61 G C -0.126 174.852 174.900 0.130 0.000 1.150 61 G CA 0.480 45.633 45.100 0.087 0.000 0.959 61 G HN 0.867 nan 8.290 nan 0.000 0.556 62 D N 1.541 121.993 120.400 0.086 0.000 2.340 62 D HA 0.411 5.058 4.640 0.011 0.000 0.220 62 D C 1.243 177.572 176.300 0.050 0.000 1.039 62 D CA 1.534 55.571 54.000 0.062 0.000 0.866 62 D CB -0.141 40.670 40.800 0.018 0.000 0.913 62 D HN 0.955 nan 8.370 nan 0.000 0.523 63 G N -0.449 108.381 108.800 0.050 0.000 3.212 63 G HA2 0.687 4.654 3.960 0.011 0.000 0.188 63 G HA3 0.687 4.654 3.960 0.011 0.000 0.188 63 G C -0.905 174.013 174.900 0.030 0.000 1.254 63 G CA -0.781 44.346 45.100 0.044 0.000 0.957 63 G HN 0.106 nan 8.290 nan 0.000 0.596 64 L N -0.770 120.473 121.223 0.033 0.000 2.279 64 L HA 0.817 5.164 4.340 0.011 0.000 0.262 64 L C -0.300 176.589 176.870 0.031 0.000 1.019 64 L CA -1.164 53.684 54.840 0.014 0.000 0.823 64 L CB 2.331 44.391 42.059 0.002 0.000 1.358 64 L HN 0.693 nan 8.230 nan 0.000 0.432 65 A N 0.741 123.566 122.820 0.009 0.000 2.488 65 A HA 0.701 5.028 4.320 0.011 0.000 0.295 65 A C -1.073 176.510 177.584 -0.002 0.000 1.045 65 A CA -0.335 51.718 52.037 0.027 0.000 0.703 65 A CB 2.019 21.009 19.000 -0.017 0.000 1.271 65 A HN 0.526 nan 8.150 nan 0.000 0.400 66 S N 0.687 116.446 115.700 0.099 0.000 2.667 66 S HA 0.739 5.215 4.470 0.011 0.000 0.292 66 S C -0.669 174.120 174.600 0.315 0.000 1.126 66 S CA -0.316 57.944 58.200 0.099 0.000 0.881 66 S CB 0.899 64.150 63.200 0.085 0.000 1.132 66 S HN 0.749 nan 8.310 nan 0.000 0.492 67 W N 1.598 122.996 121.300 0.162 0.000 2.842 67 W HA 0.317 4.984 4.660 0.012 0.000 0.267 67 W C 0.805 177.441 176.519 0.196 0.000 1.219 67 W CA 0.119 57.586 57.345 0.203 0.000 1.458 67 W CB -0.900 28.642 29.460 0.137 0.000 1.006 67 W HN 0.732 nan 8.180 nan 0.000 0.603 68 S N 2.911 118.788 115.700 0.296 0.000 2.565 68 S HA 0.355 4.832 4.470 0.011 0.000 0.274 68 S C -2.163 172.373 174.600 -0.107 0.000 1.309 68 S CA -1.417 56.850 58.200 0.111 0.000 1.043 68 S CB 1.156 64.390 63.200 0.056 0.000 0.939 68 S HN -0.125 nan 8.310 nan 0.000 0.504 69 P HA 0.108 nan 4.420 nan 0.000 0.265 69 P C -2.076 174.880 177.300 -0.573 0.000 1.187 69 P CA -0.899 61.867 63.100 -0.557 0.000 0.766 69 P CB -0.320 31.235 31.700 -0.242 0.000 0.820 70 P HA -0.192 nan 4.420 nan 0.000 0.219 70 P C 0.543 177.682 177.300 -0.268 0.000 1.153 70 P CA 1.772 64.580 63.100 -0.486 0.000 0.865 70 P CB -0.023 31.381 31.700 -0.494 0.000 0.788 71 E N -1.106 118.952 120.200 -0.237 0.000 2.462 71 E HA 0.170 4.527 4.350 0.011 0.000 0.255 71 E C 0.554 177.090 176.600 -0.106 0.000 1.311 71 E CA -0.127 56.190 56.400 -0.139 0.000 1.629 71 E CB 0.212 29.848 29.700 -0.107 0.000 1.510 71 E HN 0.126 nan 8.360 nan 0.000 0.438 72 V N -0.435 119.415 119.914 -0.107 0.000 3.368 72 V HA 0.125 4.251 4.120 0.011 0.000 0.255 72 V C 0.703 176.764 176.094 -0.056 0.000 1.466 72 V CA 0.138 62.396 62.300 -0.070 0.000 1.095 72 V CB 0.573 32.355 31.823 -0.068 0.000 0.899 72 V HN 0.270 nan 8.190 nan 0.000 0.440 73 L N 0.561 121.739 121.223 -0.075 0.000 2.418 73 L HA 0.363 4.710 4.340 0.011 0.000 0.265 73 L C 0.041 176.897 176.870 -0.023 0.000 1.143 73 L CA -0.397 54.414 54.840 -0.049 0.000 0.809 73 L CB 1.113 43.130 42.059 -0.069 0.000 1.124 73 L HN -0.084 nan 8.230 nan 0.000 0.456 74 V N 3.835 123.764 119.914 0.024 0.000 2.153 74 V HA 0.042 4.169 4.120 0.011 0.000 0.250 74 V C 1.368 177.530 176.094 0.114 0.000 1.334 74 V CA -0.146 62.192 62.300 0.062 0.000 1.249 74 V CB -0.189 31.705 31.823 0.118 0.000 1.371 74 V HN 0.658 nan 8.190 nan 0.000 0.498 75 L N 2.097 123.330 121.223 0.017 0.000 2.357 75 L HA -0.131 4.216 4.340 0.011 0.000 0.220 75 L C 0.921 177.749 176.870 -0.070 0.000 1.123 75 L CA 1.265 56.092 54.840 -0.021 0.000 0.782 75 L CB -0.415 41.576 42.059 -0.113 0.000 0.910 75 L HN 0.851 nan 8.230 nan 0.000 0.442 76 E N -1.319 118.783 120.200 -0.164 0.000 2.321 76 E HA 0.710 5.066 4.350 0.011 0.000 0.278 76 E C -0.451 175.771 176.600 -0.631 0.000 0.902 76 E CA -0.394 55.743 56.400 -0.438 0.000 0.758 76 E CB 1.818 31.356 29.700 -0.269 0.000 1.213 76 E HN -0.027 nan 8.360 nan 0.000 0.426 77 G N 0.606 108.719 108.800 -1.144 0.000 2.427 77 G HA2 0.640 4.607 3.960 0.011 0.000 0.306 77 G HA3 0.640 4.607 3.960 0.011 0.000 0.306 77 G C -1.184 173.416 174.900 -0.499 0.000 1.280 77 G CA -0.218 44.464 45.100 -0.696 0.000 0.837 77 G HN 1.182 nan 8.290 nan 0.000 0.482 78 T N -1.550 112.971 114.554 -0.056 0.000 2.923 78 T HA 0.731 5.088 4.350 0.011 0.000 0.311 78 T C -0.932 173.886 174.700 0.196 0.000 1.183 78 T CA -0.801 61.362 62.100 0.104 0.000 1.020 78 T CB 1.832 70.726 68.868 0.044 0.000 1.165 78 T HN 1.776 nan 8.240 nan 0.000 0.482 79 L N -0.566 120.793 121.223 0.227 0.000 2.445 79 L HA 0.964 5.311 4.340 0.011 0.000 0.262 79 L C -0.889 176.101 176.870 0.200 0.000 0.974 79 L CA -1.435 53.514 54.840 0.182 0.000 0.822 79 L CB 1.056 43.207 42.059 0.152 0.000 1.339 79 L HN 1.075 nan 8.230 nan 0.000 0.409 80 A N 3.343 126.255 122.820 0.153 0.000 2.412 80 A HA 0.631 4.958 4.320 0.011 0.000 0.334 80 A C 0.258 177.939 177.584 0.161 0.000 1.419 80 A CA -0.623 51.510 52.037 0.160 0.000 0.930 80 A CB 0.134 19.193 19.000 0.098 0.000 1.149 80 A HN 0.845 nan 8.150 nan 0.000 0.515 81 R N 2.378 123.021 120.500 0.239 0.000 2.297 81 R HA 0.607 4.953 4.340 0.011 0.000 0.308 81 R C 0.286 176.692 176.300 0.177 0.000 1.029 81 R CA -0.490 55.718 56.100 0.180 0.000 0.929 81 R CB 0.350 30.739 30.300 0.147 0.000 1.046 81 R HN 0.737 nan 8.270 nan 0.000 0.461 82 M N 3.276 122.946 119.600 0.117 0.000 2.302 82 M HA -0.278 4.208 4.480 0.011 0.000 0.200 82 M C 0.566 176.917 176.300 0.085 0.000 0.366 82 M CA 1.596 56.955 55.300 0.098 0.000 0.440 82 M CB -1.266 31.394 32.600 0.100 0.000 1.475 82 M HN 1.291 nan 8.290 nan 0.000 0.905 83 G N -0.430 108.415 108.800 0.076 0.000 2.284 83 G HA2 -0.294 3.673 3.960 0.011 0.000 0.247 83 G HA3 -0.294 3.673 3.960 0.011 0.000 0.247 83 G C -0.160 174.753 174.900 0.022 0.000 1.012 83 G CA 0.559 45.689 45.100 0.050 0.000 0.618 83 G HN 0.614 nan 8.290 nan 0.000 0.521 84 Q N 1.544 121.358 119.800 0.022 0.000 2.271 84 Q HA 0.536 4.882 4.340 0.011 0.000 0.258 84 Q C 0.089 176.034 176.000 -0.091 0.000 0.936 84 Q CA 0.152 55.898 55.803 -0.095 0.000 0.909 84 Q CB 1.462 30.086 28.738 -0.190 0.000 1.253 84 Q HN 0.456 nan 8.270 nan 0.000 0.440 85 T N -0.309 114.159 114.554 -0.145 0.000 2.837 85 T HA 0.556 4.913 4.350 0.011 0.000 0.285 85 T C -0.687 173.931 174.700 -0.136 0.000 0.984 85 T CA -0.423 61.657 62.100 -0.033 0.000 1.049 85 T CB 0.548 69.411 68.868 -0.008 0.000 0.947 85 T HN 0.322 nan 8.240 nan 0.000 0.472 86 Y N 0.289 120.621 120.300 0.053 0.000 2.598 86 Y HA 0.660 5.216 4.550 0.011 0.000 0.340 86 Y C 0.140 176.081 175.900 0.068 0.000 1.038 86 Y CA -1.492 56.646 58.100 0.062 0.000 1.100 86 Y CB 2.016 40.522 38.460 0.078 0.000 1.281 86 Y HN 0.977 nan 8.280 nan 0.000 0.488 87 A N 1.725 124.691 122.820 0.243 0.000 2.310 87 A HA 0.576 4.903 4.320 0.011 0.000 0.304 87 A C -1.410 176.267 177.584 0.155 0.000 1.231 87 A CA -0.638 51.471 52.037 0.120 0.000 0.799 87 A CB -0.461 18.572 19.000 0.055 0.000 1.162 87 A HN 0.696 nan 8.150 nan 0.000 0.486 88 Y N 0.788 121.133 120.300 0.075 0.000 2.374 88 Y HA 0.849 5.406 4.550 0.012 0.000 0.322 88 Y C 0.040 175.962 175.900 0.038 0.000 1.275 88 Y CA -1.162 56.970 58.100 0.053 0.000 1.307 88 Y CB 0.966 39.439 38.460 0.023 0.000 1.282 88 Y HN 0.621 nan 8.280 nan 0.000 0.509 89 R N 2.879 123.544 120.500 0.274 0.000 2.523 89 R HA 0.468 4.815 4.340 0.011 0.000 0.278 89 R C -2.201 174.174 176.300 0.124 0.000 1.150 89 R CA -0.395 55.758 56.100 0.089 0.000 0.987 89 R CB 1.107 31.479 30.300 0.120 0.000 1.232 89 R HN 0.914 nan 8.270 nan 0.000 0.424 90 L N 4.121 125.319 121.223 -0.041 0.000 2.322 90 L HA 0.558 4.905 4.340 0.011 0.000 0.279 90 L C -0.943 175.698 176.870 -0.382 0.000 1.036 90 L CA -0.865 53.950 54.840 -0.041 0.000 0.807 90 L CB 1.235 43.318 42.059 0.039 0.000 1.226 90 L HN 0.597 nan 8.230 nan 0.000 0.433 91 Y N 1.828 122.167 120.300 0.064 0.000 2.349 91 Y HA 0.319 4.876 4.550 0.011 0.000 0.324 91 Y C -2.258 173.681 175.900 0.066 0.000 1.005 91 Y CA -2.493 55.640 58.100 0.055 0.000 1.240 91 Y CB 1.386 39.877 38.460 0.050 0.000 1.117 91 Y HN 0.376 nan 8.280 nan 0.000 0.463 92 P HA 0.027 nan 4.420 nan 0.000 0.260 92 P C -0.055 177.366 177.300 0.202 0.000 1.207 92 P CA 0.064 63.261 63.100 0.161 0.000 0.780 92 P CB 0.471 32.237 31.700 0.109 0.000 0.789 93 K N 3.559 124.079 120.400 0.200 0.000 3.147 93 K HA 0.384 4.711 4.320 0.011 0.000 0.214 93 K C 0.671 177.360 176.600 0.149 0.000 1.221 93 K CA -0.164 56.219 56.287 0.160 0.000 1.117 93 K CB -0.370 32.205 32.500 0.125 0.000 1.278 93 K HN 0.723 nan 8.250 nan 0.000 0.479 94 G N 1.450 110.369 108.800 0.198 0.000 2.642 94 G HA2 -0.289 3.678 3.960 0.011 0.000 0.231 94 G HA3 -0.289 3.678 3.960 0.011 0.000 0.231 94 G C -0.814 174.123 174.900 0.063 0.000 1.338 94 G CA -0.645 44.531 45.100 0.127 0.000 0.883 94 G HN 0.458 nan 8.290 nan 0.000 0.570 95 R N -0.538 119.911 120.500 -0.084 0.000 2.787 95 R HA 0.807 5.154 4.340 0.011 0.000 0.271 95 R C 0.086 176.349 176.300 -0.061 0.000 0.993 95 R CA -0.805 55.207 56.100 -0.147 0.000 0.993 95 R CB 1.736 31.836 30.300 -0.334 0.000 1.155 95 R HN 0.620 nan 8.270 nan 0.000 0.486 96 R N 1.525 122.002 120.500 -0.039 0.000 2.508 96 R HA 0.287 4.633 4.340 0.011 0.000 0.283 96 R C -2.672 173.626 176.300 -0.003 0.000 1.120 96 R CA -1.603 54.490 56.100 -0.011 0.000 0.958 96 R CB 2.117 32.426 30.300 0.014 0.000 1.215 96 R HN 0.404 nan 8.270 nan 0.000 0.427 97 P HA 0.201 nan 4.420 nan 0.000 0.274 97 P C -1.134 176.175 177.300 0.014 0.000 1.237 97 P CA -0.360 62.741 63.100 0.002 0.000 0.793 97 P CB 1.155 32.849 31.700 -0.011 0.000 0.977 98 L N 1.487 122.724 121.223 0.023 0.000 2.409 98 L HA 0.460 4.807 4.340 0.011 0.000 0.262 98 L C -0.190 176.689 176.870 0.016 0.000 0.992 98 L CA -0.222 54.631 54.840 0.021 0.000 0.817 98 L CB 1.673 43.751 42.059 0.031 0.000 1.350 98 L HN 0.287 nan 8.230 nan 0.000 0.411 99 D N 3.149 123.555 120.400 0.010 0.000 2.414 99 D HA 0.365 5.012 4.640 0.011 0.000 0.232 99 D C -1.854 174.450 176.300 0.007 0.000 1.070 99 D CA -1.900 52.103 54.000 0.005 0.000 0.839 99 D CB 2.319 43.120 40.800 0.002 0.000 1.079 99 D HN 0.226 nan 8.370 nan 0.000 0.521 100 P HA -0.121 nan 4.420 nan 0.000 0.229 100 P C 0.454 177.762 177.300 0.013 0.000 1.150 100 P CA 0.645 63.751 63.100 0.010 0.000 0.765 100 P CB 0.341 32.040 31.700 -0.000 0.000 0.783 101 K N -0.164 120.241 120.400 0.008 0.000 2.437 101 K HA 0.076 4.403 4.320 0.011 0.000 0.198 101 K C 0.090 176.695 176.600 0.008 0.000 1.024 101 K CA 0.029 56.321 56.287 0.009 0.000 1.148 101 K CB 0.123 32.626 32.500 0.005 0.000 0.860 101 K HN 0.139 nan 8.250 nan 0.000 0.515 102 D N 0.273 120.678 120.400 0.008 0.000 2.391 102 D HA 0.179 4.826 4.640 0.011 0.000 0.245 102 D C -2.116 174.187 176.300 0.006 0.000 1.069 102 D CA -2.469 51.534 54.000 0.006 0.000 0.831 102 D CB 2.142 42.944 40.800 0.004 0.000 1.204 102 D HN -0.291 nan 8.370 nan 0.000 0.503 103 P HA -0.035 nan 4.420 nan 0.000 0.215 103 P C 1.247 178.544 177.300 -0.005 0.000 1.153 103 P CA 1.343 64.443 63.100 0.000 0.000 0.853 103 P CB 0.193 31.891 31.700 -0.004 0.000 0.788 104 G N 0.323 109.120 108.800 -0.006 0.000 2.639 104 G HA2 -0.283 3.684 3.960 0.011 0.000 0.216 104 G HA3 -0.283 3.684 3.960 0.011 0.000 0.216 104 G C 1.431 176.325 174.900 -0.010 0.000 1.267 104 G CA 0.889 45.983 45.100 -0.010 0.000 0.801 104 G HN 0.265 nan 8.290 nan 0.000 0.592 105 E N -0.125 120.073 120.200 -0.004 0.000 2.118 105 E HA -0.144 4.213 4.350 0.011 0.000 0.195 105 E C 2.518 179.117 176.600 -0.000 0.000 0.992 105 E CA 0.544 56.943 56.400 -0.002 0.000 0.804 105 E CB -0.140 29.563 29.700 0.005 0.000 0.741 105 E HN 0.355 nan 8.360 nan 0.000 0.458 106 R N 0.770 121.273 120.500 0.006 0.000 2.103 106 R HA -0.164 4.182 4.340 0.011 0.000 0.242 106 R C 2.310 178.619 176.300 0.016 0.000 1.142 106 R CA 1.704 57.815 56.100 0.018 0.000 0.960 106 R CB -0.080 30.236 30.300 0.026 0.000 0.858 106 R HN 0.038 nan 8.270 nan 0.000 0.439 107 S N -0.036 115.661 115.700 -0.004 0.000 2.370 107 S HA -0.119 4.358 4.470 0.011 0.000 0.226 107 S C 1.944 176.522 174.600 -0.036 0.000 1.033 107 S CA 1.436 59.623 58.200 -0.020 0.000 1.011 107 S CB -0.173 63.003 63.200 -0.040 0.000 0.852 107 S HN 0.174 nan 8.310 nan 0.000 0.457 108 V N 2.057 121.944 119.914 -0.045 0.000 2.407 108 V HA -0.150 3.977 4.120 0.011 0.000 0.248 108 V C 2.144 178.172 176.094 -0.109 0.000 1.055 108 V CA 1.424 63.678 62.300 -0.077 0.000 1.049 108 V CB -0.737 31.047 31.823 -0.065 0.000 0.662 108 V HN 0.415 nan 8.190 nan 0.000 0.455 109 L N -0.300 120.890 121.223 -0.056 0.000 2.056 109 L HA -0.127 4.220 4.340 0.011 0.000 0.207 109 L C 2.557 179.422 176.870 -0.008 0.000 1.078 109 L CA 1.587 56.404 54.840 -0.039 0.000 0.749 109 L CB -0.471 41.612 42.059 0.041 0.000 0.901 109 L HN 0.311 nan 8.230 nan 0.000 0.433 110 S N -0.295 115.433 115.700 0.047 0.000 2.428 110 S HA -0.040 4.437 4.470 0.011 0.000 0.230 110 S C 2.130 176.767 174.600 0.063 0.000 1.014 110 S CA 0.888 59.169 58.200 0.134 0.000 0.957 110 S CB -0.073 63.235 63.200 0.180 0.000 0.784 110 S HN 0.468 nan 8.310 nan 0.000 0.499 111 A N 1.627 124.429 122.820 -0.030 0.000 1.898 111 A HA 0.069 4.396 4.320 0.011 0.000 0.216 111 A C 2.076 179.586 177.584 -0.123 0.000 1.181 111 A CA 0.924 52.921 52.037 -0.067 0.000 0.620 111 A CB -0.693 18.249 19.000 -0.096 0.000 0.819 111 A HN 0.424 nan 8.150 nan 0.000 0.442 112 L N -0.687 120.383 121.223 -0.256 0.000 2.042 112 L HA -0.245 4.102 4.340 0.011 0.000 0.210 112 L C 3.138 179.821 176.870 -0.312 0.000 1.076 112 L CA 1.159 55.688 54.840 -0.518 0.000 0.749 112 L CB -0.511 40.858 42.059 -1.150 0.000 0.893 112 L HN 0.468 nan 8.230 nan 0.000 0.432 113 A N -0.157 122.645 122.820 -0.030 0.000 1.883 113 A HA -0.274 4.053 4.320 0.011 0.000 0.217 113 A C 2.358 180.043 177.584 0.167 0.000 1.186 113 A CA 1.909 54.145 52.037 0.331 0.000 0.624 113 A CB -0.580 18.733 19.000 0.521 0.000 0.822 113 A HN 0.310 nan 8.150 nan 0.000 0.444 114 R N -1.372 119.192 120.500 0.107 0.000 2.081 114 R HA -0.138 4.209 4.340 0.011 0.000 0.235 114 R C 2.460 178.772 176.300 0.020 0.000 1.131 114 R CA 1.713 57.853 56.100 0.067 0.000 0.960 114 R CB -0.183 30.151 30.300 0.055 0.000 0.856 114 R HN 0.438 nan 8.270 nan 0.000 0.436 115 R N 0.673 121.169 120.500 -0.007 0.000 2.092 115 R HA -0.080 4.266 4.340 0.011 0.000 0.231 115 R C 2.089 178.396 176.300 0.011 0.000 1.119 115 R CA 1.115 57.204 56.100 -0.019 0.000 0.970 115 R CB -0.452 29.817 30.300 -0.053 0.000 0.864 115 R HN 0.284 nan 8.270 nan 0.000 0.440 116 L N -0.239 121.020 121.223 0.060 0.000 2.056 116 L HA -0.071 4.276 4.340 0.011 0.000 0.207 116 L C 1.911 178.782 176.870 0.001 0.000 1.078 116 L CA 1.291 56.189 54.840 0.096 0.000 0.749 116 L CB -0.418 41.794 42.059 0.255 0.000 0.901 116 L HN 0.299 nan 8.230 nan 0.000 0.433 117 L N 0.391 121.601 121.223 -0.022 0.000 2.127 117 L HA -0.255 4.092 4.340 0.011 0.000 0.211 117 L C 2.467 179.293 176.870 -0.075 0.000 1.089 117 L CA 2.345 57.140 54.840 -0.075 0.000 0.757 117 L CB -0.654 41.374 42.059 -0.051 0.000 0.899 117 L HN 0.692 nan 8.230 nan 0.000 0.434 118 Q N -2.848 116.924 119.800 -0.047 0.000 2.352 118 Q HA 0.025 4.372 4.340 0.011 0.000 0.212 118 Q C 1.507 177.481 176.000 -0.044 0.000 0.888 118 Q CA 0.181 55.953 55.803 -0.052 0.000 0.934 118 Q CB -0.130 28.581 28.738 -0.045 0.000 1.093 118 Q HN 0.493 nan 8.270 nan 0.000 0.523 119 E N 1.059 121.241 120.200 -0.030 0.000 2.102 119 E HA 0.015 4.371 4.350 0.011 0.000 0.190 119 E C 2.010 178.591 176.600 -0.032 0.000 0.971 119 E CA 0.319 56.707 56.400 -0.020 0.000 0.821 119 E CB 0.307 30.008 29.700 0.002 0.000 0.777 119 E HN 0.295 nan 8.360 nan 0.000 0.460 120 R N 0.800 121.269 120.500 -0.051 0.000 2.075 120 R HA -0.023 4.324 4.340 0.011 0.000 0.232 120 R C 2.529 178.771 176.300 -0.097 0.000 1.126 120 R CA 0.436 56.489 56.100 -0.078 0.000 0.963 120 R CB -1.000 29.232 30.300 -0.113 0.000 0.858 120 R HN 0.210 nan 8.270 nan 0.000 0.435 121 L N 0.720 121.877 121.223 -0.111 0.000 2.012 121 L HA -0.169 4.178 4.340 0.011 0.000 0.210 121 L C 2.811 179.643 176.870 -0.063 0.000 1.073 121 L CA 1.399 56.167 54.840 -0.120 0.000 0.748 121 L CB -0.226 41.761 42.059 -0.119 0.000 0.891 121 L HN 0.124 nan 8.230 nan 0.000 0.431 122 R N 0.347 120.821 120.500 -0.043 0.000 2.200 122 R HA -0.139 4.208 4.340 0.011 0.000 0.234 122 R C 1.296 177.597 176.300 0.001 0.000 1.127 122 R CA 1.187 57.278 56.100 -0.014 0.000 0.989 122 R CB -0.112 30.180 30.300 -0.012 0.000 0.869 122 R HN 0.253 nan 8.270 nan 0.000 0.459 123 R N 1.214 121.706 120.500 -0.014 0.000 4.231 123 R HA 0.341 4.688 4.340 0.011 0.000 0.250 123 R C -0.781 175.516 176.300 -0.005 0.000 1.600 123 R CA 0.074 56.172 56.100 -0.005 0.000 1.523 123 R CB -0.593 29.699 30.300 -0.013 0.000 1.422 123 R HN 0.098 nan 8.270 nan 0.000 0.759 124 L N 1.024 122.258 121.223 0.018 0.000 2.470 124 L HA 0.378 4.725 4.340 0.011 0.000 0.268 124 L C -0.450 176.466 176.870 0.076 0.000 0.964 124 L CA -0.975 53.889 54.840 0.040 0.000 0.839 124 L CB 2.783 44.867 42.059 0.040 0.000 1.276 124 L HN 0.538 nan 8.230 nan 0.000 0.403 125 E N 1.590 121.836 120.200 0.077 0.000 2.343 125 E HA 0.388 4.745 4.350 0.011 0.000 0.269 125 E C 0.594 177.256 176.600 0.103 0.000 1.047 125 E CA 0.097 56.545 56.400 0.081 0.000 0.874 125 E CB 1.066 30.802 29.700 0.061 0.000 1.033 125 E HN 0.832 nan 8.360 nan 0.000 0.409 126 G N 0.832 109.692 108.800 0.100 0.000 2.289 126 G HA2 -0.160 3.807 3.960 0.011 0.000 0.280 126 G HA3 -0.160 3.807 3.960 0.011 0.000 0.280 126 G C -0.430 174.554 174.900 0.139 0.000 1.089 126 G CA 0.288 45.450 45.100 0.103 0.000 0.939 126 G HN 0.545 nan 8.290 nan 0.000 0.499 127 V N -1.034 118.984 119.914 0.174 0.000 2.971 127 V HA 0.675 4.802 4.120 0.011 0.000 0.281 127 V C -1.439 174.833 176.094 0.296 0.000 1.470 127 V CA -0.926 61.511 62.300 0.229 0.000 0.966 127 V CB 1.353 33.316 31.823 0.232 0.000 1.156 127 V HN 1.156 nan 8.190 nan 0.000 0.441 128 W N 7.531 128.921 121.300 0.151 0.000 2.335 128 W HA 0.709 5.375 4.660 0.010 0.000 0.307 128 W C -0.424 176.217 176.519 0.203 0.000 1.117 128 W CA -0.622 56.813 57.345 0.150 0.000 1.228 128 W CB 1.674 31.216 29.460 0.137 0.000 1.240 128 W HN 0.757 nan 8.180 nan 0.000 0.468 129 V N 4.208 123.962 119.914 -0.266 0.000 2.293 129 V HA 0.362 4.489 4.120 0.011 0.000 0.275 129 V C -0.379 175.345 176.094 -0.617 0.000 1.021 129 V CA -0.966 61.128 62.300 -0.343 0.000 0.815 129 V CB 1.058 32.800 31.823 -0.135 0.000 1.025 129 V HN 0.643 nan 8.190 nan 0.000 0.448 130 E N 4.488 124.218 120.200 -0.783 0.000 2.035 130 E HA 0.559 4.916 4.350 0.011 0.000 0.271 130 E C 0.946 177.385 176.600 -0.268 0.000 0.953 130 E CA 0.548 56.555 56.400 -0.655 0.000 0.777 130 E CB 0.668 29.793 29.700 -0.958 0.000 1.104 130 E HN 1.283 nan 8.360 nan 0.000 0.408 131 G N 3.932 112.625 108.800 -0.178 0.000 2.531 131 G HA2 -0.322 3.645 3.960 0.011 0.000 0.274 131 G HA3 -0.322 3.645 3.960 0.011 0.000 0.274 131 G C 0.222 175.069 174.900 -0.088 0.000 1.159 131 G CA 0.094 45.134 45.100 -0.100 0.000 0.969 131 G HN 0.562 nan 8.290 nan 0.000 0.554 132 L N 1.882 123.070 121.223 -0.059 0.000 3.001 132 L HA 0.629 4.976 4.340 0.011 0.000 0.234 132 L C 0.931 177.765 176.870 -0.059 0.000 1.321 132 L CA 0.424 55.237 54.840 -0.046 0.000 1.138 132 L CB -0.420 41.631 42.059 -0.012 0.000 1.503 132 L HN 0.917 nan 8.230 nan 0.000 0.487 133 A N -0.096 122.667 122.820 -0.094 0.000 2.498 133 A HA 0.794 5.120 4.320 0.011 0.000 0.298 133 A C -1.323 176.133 177.584 -0.214 0.000 1.075 133 A CA -0.486 51.462 52.037 -0.148 0.000 0.714 133 A CB 2.510 21.474 19.000 -0.060 0.000 1.299 133 A HN -0.082 nan 8.150 nan 0.000 0.407 134 V N 1.378 121.079 119.914 -0.355 0.000 2.735 134 V HA 0.775 4.902 4.120 0.011 0.000 0.310 134 V C -2.012 173.772 176.094 -0.517 0.000 1.061 134 V CA -0.521 61.644 62.300 -0.226 0.000 0.913 134 V CB 1.758 33.590 31.823 0.015 0.000 1.005 134 V HN 0.803 nan 8.190 nan 0.000 0.428 135 Y N 5.519 125.890 120.300 0.117 0.000 2.373 135 Y HA 0.610 5.167 4.550 0.011 0.000 0.336 135 Y C 0.735 176.744 175.900 0.181 0.000 0.979 135 Y CA -0.664 57.546 58.100 0.183 0.000 1.080 135 Y CB 2.381 41.045 38.460 0.339 0.000 1.190 135 Y HN 0.560 nan 8.280 nan 0.000 0.446 136 R N 1.241 121.864 120.500 0.205 0.000 2.487 136 R HA 0.275 4.622 4.340 0.011 0.000 0.272 136 R C -0.223 176.143 176.300 0.111 0.000 0.928 136 R CA -0.213 55.960 56.100 0.122 0.000 1.077 136 R CB 1.004 31.285 30.300 -0.031 0.000 1.265 136 R HN 0.589 nan 8.270 nan 0.000 0.537 137 R N 0.121 120.716 120.500 0.159 0.000 2.739 137 R HA 0.354 4.701 4.340 0.011 0.000 0.271 137 R C -1.338 175.074 176.300 0.187 0.000 1.010 137 R CA -0.844 55.338 56.100 0.137 0.000 0.897 137 R CB 1.331 31.695 30.300 0.105 0.000 1.236 137 R HN -0.128 nan 8.270 nan 0.000 0.466 138 E N 1.093 121.374 120.200 0.134 0.000 2.194 138 E HA 0.032 4.389 4.350 0.011 0.000 0.284 138 E C -0.315 176.380 176.600 0.158 0.000 1.035 138 E CA -0.236 56.237 56.400 0.123 0.000 0.836 138 E CB 0.712 30.437 29.700 0.042 0.000 1.070 138 E HN 0.724 nan 8.360 nan 0.000 0.401 139 H N 3.855 122.986 119.070 0.103 0.000 2.451 139 H HA 0.378 4.941 4.556 0.011 0.000 0.294 139 H C -0.629 174.712 175.328 0.020 0.000 1.028 139 H CA 1.138 57.227 56.048 0.070 0.000 1.349 139 H CB 0.641 30.427 29.762 0.040 0.000 1.444 139 H HN 0.430 nan 8.280 nan 0.000 0.538 140 A N -0.095 122.676 122.820 -0.082 0.000 2.612 140 A HA 0.738 5.065 4.320 0.011 0.000 0.293 140 A C -1.326 176.247 177.584 -0.019 0.000 1.075 140 A CA -0.610 51.375 52.037 -0.087 0.000 0.680 140 A CB 1.585 20.584 19.000 -0.002 0.000 1.279 140 A HN 0.461 nan 8.150 nan 0.000 0.411 141 R N 0.013 120.370 120.500 -0.238 0.000 2.594 141 R HA 0.767 5.114 4.340 0.011 0.000 0.265 141 R C -0.269 175.364 176.300 -1.112 0.000 1.070 141 R CA 0.222 55.954 56.100 -0.613 0.000 0.909 141 R CB 0.814 30.911 30.300 -0.339 0.000 1.243 141 R HN 1.816 nan 8.270 nan 0.000 0.455 142 G N 0.808 108.409 108.800 -1.999 0.000 2.949 142 G HA2 0.654 4.621 3.960 0.011 0.000 0.285 142 G HA3 0.654 4.621 3.960 0.011 0.000 0.285 142 G C -2.790 171.525 174.900 -0.975 0.000 1.395 142 G CA -2.201 41.961 45.100 -1.564 0.000 0.901 142 G HN 0.454 nan 8.290 nan 0.000 0.519 143 P HA 0.258 nan 4.420 nan 0.000 0.264 143 P C 0.850 178.175 177.300 0.042 0.000 1.236 143 P CA 1.621 64.645 63.100 -0.127 0.000 0.811 143 P CB 0.664 32.366 31.700 0.004 0.000 0.840 144 G N 1.927 110.743 108.800 0.027 0.000 2.195 144 G HA2 -0.155 3.812 3.960 0.011 0.000 0.246 144 G HA3 -0.155 3.812 3.960 0.011 0.000 0.246 144 G C -0.295 174.771 174.900 0.277 0.000 0.984 144 G CA -0.144 45.099 45.100 0.240 0.000 0.633 144 G HN 0.586 nan 8.290 nan 0.000 0.525 145 W N -0.197 121.160 121.300 0.095 0.000 3.062 145 W HA 0.825 5.494 4.660 0.015 0.000 0.336 145 W C -0.378 176.135 176.519 -0.010 0.000 1.224 145 W CA -0.910 56.441 57.345 0.011 0.000 1.159 145 W CB 0.685 30.169 29.460 0.040 0.000 1.454 145 W HN 0.537 nan 8.180 nan 0.000 0.569 146 R N 0.712 121.389 120.500 0.295 0.000 2.561 146 R HA 0.570 4.917 4.340 0.011 0.000 0.266 146 R C -2.068 174.384 176.300 0.253 0.000 1.091 146 R CA -0.953 55.254 56.100 0.178 0.000 0.927 146 R CB 1.961 32.239 30.300 -0.037 0.000 1.240 146 R HN 0.245 nan 8.270 nan 0.000 0.449 147 V N 4.449 124.540 119.914 0.294 0.000 2.364 147 V HA 0.320 4.447 4.120 0.011 0.000 0.272 147 V C 0.319 176.558 176.094 0.242 0.000 1.036 147 V CA -0.583 61.861 62.300 0.239 0.000 0.880 147 V CB 1.163 33.123 31.823 0.229 0.000 0.991 147 V HN 0.528 nan 8.190 nan 0.000 0.460 148 L N 4.085 125.449 121.223 0.235 0.000 2.379 148 L HA 0.749 5.095 4.340 0.011 0.000 0.269 148 L C 0.804 178.023 176.870 0.582 0.000 1.084 148 L CA -0.292 54.740 54.840 0.319 0.000 0.802 148 L CB 1.318 43.491 42.059 0.190 0.000 1.175 148 L HN 0.711 nan 8.230 nan 0.000 0.448 149 G N 0.047 109.185 108.800 0.565 0.000 2.416 149 G HA2 0.657 4.624 3.960 0.011 0.000 0.324 149 G HA3 0.657 4.624 3.960 0.011 0.000 0.324 149 G C -0.345 174.710 174.900 0.259 0.000 1.194 149 G CA 0.070 45.450 45.100 0.468 0.000 0.922 149 G HN 0.845 nan 8.290 nan 0.000 0.467 150 G N -0.125 108.667 108.800 -0.013 0.000 2.795 150 G HA2 0.825 4.791 3.960 0.011 0.000 0.127 150 G HA3 0.825 4.791 3.960 0.011 0.000 0.127 150 G C -1.158 173.548 174.900 -0.324 0.000 1.203 150 G CA 0.424 45.357 45.100 -0.278 0.000 1.145 150 G HN 1.795 nan 8.290 nan 0.000 0.580 151 A N -1.247 121.326 122.820 -0.411 0.000 2.589 151 A HA 0.685 5.012 4.320 0.011 0.000 0.296 151 A C -1.448 175.993 177.584 -0.238 0.000 1.062 151 A CA -0.350 51.546 52.037 -0.235 0.000 0.686 151 A CB 1.569 20.503 19.000 -0.110 0.000 1.282 151 A HN 1.397 nan 8.150 nan 0.000 0.404 152 V N 2.611 122.455 119.914 -0.117 0.000 2.439 152 V HA 0.561 4.688 4.120 0.011 0.000 0.282 152 V C -0.050 176.036 176.094 -0.013 0.000 1.039 152 V CA -0.154 62.107 62.300 -0.065 0.000 0.913 152 V CB 0.906 32.724 31.823 -0.007 0.000 0.983 152 V HN 0.726 nan 8.190 nan 0.000 0.460 153 L N 3.407 124.626 121.223 -0.007 0.000 2.279 153 L HA 0.826 5.173 4.340 0.011 0.000 0.262 153 L C -0.959 175.955 176.870 0.074 0.000 1.019 153 L CA -0.700 54.160 54.840 0.035 0.000 0.823 153 L CB 2.166 44.225 42.059 -0.001 0.000 1.358 153 L HN 0.524 nan 8.230 nan 0.000 0.432 154 D N 0.922 121.405 120.400 0.139 0.000 2.837 154 D HA 0.592 5.238 4.640 0.011 0.000 0.220 154 D C -2.013 174.445 176.300 0.263 0.000 1.236 154 D CA -0.321 53.815 54.000 0.226 0.000 0.838 154 D CB 2.644 43.637 40.800 0.321 0.000 1.647 154 D HN 0.281 nan 8.370 nan 0.000 0.486 155 L N 4.742 126.133 121.223 0.280 0.000 2.476 155 L HA 0.803 5.149 4.340 0.011 0.000 0.269 155 L C -1.835 175.256 176.870 0.368 0.000 0.965 155 L CA -0.314 54.642 54.840 0.193 0.000 0.845 155 L CB 1.039 43.134 42.059 0.060 0.000 1.259 155 L HN 0.577 nan 8.230 nan 0.000 0.403 156 W N 4.092 125.491 121.300 0.164 0.000 3.060 156 W HA 0.834 5.502 4.660 0.012 0.000 0.346 156 W C -1.850 174.773 176.519 0.173 0.000 1.194 156 W CA -1.416 56.018 57.345 0.149 0.000 1.105 156 W CB 0.820 30.324 29.460 0.073 0.000 1.487 156 W HN 0.410 nan 8.180 nan 0.000 0.592 157 V N 2.207 122.294 119.914 0.287 0.000 2.532 157 V HA 0.558 4.685 4.120 0.011 0.000 0.295 157 V C -0.199 175.981 176.094 0.142 0.000 1.041 157 V CA -0.462 61.875 62.300 0.061 0.000 0.926 157 V CB 1.431 33.259 31.823 0.008 0.000 0.992 157 V HN 0.682 nan 8.190 nan 0.000 0.457 158 S N 3.429 119.132 115.700 0.006 0.000 2.616 158 S HA 0.191 4.668 4.470 0.011 0.000 0.277 158 S C 1.046 175.671 174.600 0.042 0.000 1.234 158 S CA -0.099 58.140 58.200 0.065 0.000 1.028 158 S CB 1.283 64.483 63.200 0.001 0.000 0.988 158 S HN 0.974 nan 8.310 nan 0.000 0.522 159 D N 2.119 122.557 120.400 0.063 0.000 2.221 159 D HA -0.144 4.503 4.640 0.011 0.000 0.204 159 D C 1.792 178.099 176.300 0.011 0.000 0.982 159 D CA 1.743 55.765 54.000 0.036 0.000 0.857 159 D CB -0.156 40.668 40.800 0.041 0.000 0.934 159 D HN 0.635 nan 8.370 nan 0.000 0.475 160 S N -0.811 114.893 115.700 0.005 0.000 2.419 160 S HA 0.029 4.506 4.470 0.011 0.000 0.233 160 S C 1.836 176.417 174.600 -0.030 0.000 1.016 160 S CA 1.450 59.644 58.200 -0.010 0.000 0.974 160 S CB -0.110 63.084 63.200 -0.009 0.000 0.786 160 S HN 0.462 nan 8.310 nan 0.000 0.492 161 G N 0.089 108.860 108.800 -0.049 0.000 2.168 161 G HA2 0.151 4.118 3.960 0.011 0.000 0.197 161 G HA3 0.151 4.118 3.960 0.011 0.000 0.197 161 G C 0.028 174.835 174.900 -0.156 0.000 0.997 161 G CA -0.125 44.923 45.100 -0.086 0.000 0.658 161 G HN 1.217 nan 8.290 nan 0.000 0.513 162 A N -0.488 122.245 122.820 -0.145 0.000 2.322 162 A HA 0.904 5.231 4.320 0.011 0.000 0.327 162 A C -0.158 177.297 177.584 -0.215 0.000 1.134 162 A CA -0.817 51.114 52.037 -0.177 0.000 0.831 162 A CB 0.948 19.908 19.000 -0.068 0.000 1.288 162 A HN 0.548 nan 8.150 nan 0.000 0.472 163 F N -0.467 119.441 119.950 -0.070 0.000 2.450 163 F HA 0.459 4.993 4.527 0.011 0.000 0.339 163 F C 0.191 175.853 175.800 -0.229 0.000 1.146 163 F CA 0.231 58.161 58.000 -0.117 0.000 1.267 163 F CB 0.882 39.836 39.000 -0.077 0.000 1.178 163 F HN 0.317 nan 8.300 nan 0.000 0.585 164 L N 3.726 124.822 121.223 -0.213 0.000 2.441 164 L HA 0.479 4.826 4.340 0.011 0.000 0.270 164 L C -1.536 174.977 176.870 -0.594 0.000 0.973 164 L CA -0.564 53.965 54.840 -0.518 0.000 0.842 164 L CB 1.492 42.956 42.059 -0.992 0.000 1.239 164 L HN 0.491 nan 8.230 nan 0.000 0.406 165 L N 4.018 125.090 121.223 -0.252 0.000 2.295 165 L HA 0.591 4.938 4.340 0.011 0.000 0.285 165 L C -0.399 176.504 176.870 0.055 0.000 1.035 165 L CA 0.162 54.945 54.840 -0.095 0.000 0.806 165 L CB 1.532 43.573 42.059 -0.030 0.000 1.214 165 L HN 0.742 nan 8.230 nan 0.000 0.426 166 E N 3.645 123.936 120.200 0.151 0.000 2.158 166 E HA 0.636 4.993 4.350 0.011 0.000 0.271 166 E C -1.853 174.884 176.600 0.229 0.000 0.911 166 E CA -0.687 55.875 56.400 0.270 0.000 0.767 166 E CB 1.605 31.554 29.700 0.415 0.000 1.120 166 E HN 0.511 nan 8.360 nan 0.000 0.405 167 V N 4.295 124.369 119.914 0.268 0.000 2.524 167 V HA 0.277 4.404 4.120 0.011 0.000 0.297 167 V C -1.244 174.960 176.094 0.184 0.000 1.035 167 V CA -0.799 61.616 62.300 0.192 0.000 0.867 167 V CB 1.899 33.817 31.823 0.157 0.000 1.004 167 V HN 0.721 nan 8.190 nan 0.000 0.426 168 D N 6.674 127.139 120.400 0.108 0.000 2.473 168 D HA 0.445 5.092 4.640 0.011 0.000 0.253 168 D C -2.540 173.768 176.300 0.013 0.000 1.233 168 D CA -1.577 52.477 54.000 0.090 0.000 0.908 168 D CB 2.867 43.719 40.800 0.087 0.000 1.170 168 D HN 0.277 nan 8.370 nan 0.000 0.558 169 P HA 0.328 nan 4.420 nan 0.000 0.266 169 P C -1.018 176.182 177.300 -0.166 0.000 1.195 169 P CA -0.206 62.825 63.100 -0.115 0.000 0.768 169 P CB 1.279 32.907 31.700 -0.119 0.000 0.838 170 A N 2.618 125.286 122.820 -0.255 0.000 2.564 170 A HA 0.686 5.013 4.320 0.011 0.000 0.291 170 A C -1.612 175.806 177.584 -0.278 0.000 1.102 170 A CA -0.685 51.199 52.037 -0.255 0.000 0.660 170 A CB 0.706 19.681 19.000 -0.041 0.000 1.283 170 A HN 0.452 nan 8.150 nan 0.000 0.430 171 Y N -0.265 120.140 120.300 0.175 0.000 2.654 171 Y HA 0.861 5.418 4.550 0.011 0.000 0.328 171 Y C 0.673 176.732 175.900 0.265 0.000 1.174 171 Y CA -0.857 57.385 58.100 0.237 0.000 1.293 171 Y CB 1.106 39.629 38.460 0.106 0.000 1.464 171 Y HN 0.543 nan 8.280 nan 0.000 0.559 172 R N 1.574 122.282 120.500 0.347 0.000 2.508 172 R HA 0.323 4.670 4.340 0.011 0.000 0.283 172 R C -1.982 174.368 176.300 0.084 0.000 1.120 172 R CA -0.579 55.579 56.100 0.097 0.000 0.958 172 R CB 1.159 31.291 30.300 -0.280 0.000 1.215 172 R HN 0.566 nan 8.270 nan 0.000 0.427 173 I N 5.302 125.907 120.570 0.058 0.000 2.337 173 I HA 0.262 4.439 4.170 0.011 0.000 0.291 173 I C 0.259 176.373 176.117 -0.005 0.000 1.046 173 I CA -0.532 60.785 61.300 0.028 0.000 1.324 173 I CB 0.723 38.704 38.000 -0.031 0.000 1.409 173 I HN 0.231 nan 8.210 nan 0.000 0.494 174 L N 6.228 127.459 121.223 0.014 0.000 2.334 174 L HA 0.370 4.717 4.340 0.011 0.000 0.276 174 L C -0.471 176.378 176.870 -0.034 0.000 1.014 174 L CA -0.334 54.478 54.840 -0.048 0.000 0.815 174 L CB 2.066 44.060 42.059 -0.109 0.000 1.268 174 L HN 0.652 nan 8.230 nan 0.000 0.428 175 C N 4.005 123.232 119.300 -0.121 0.000 2.255 175 C HA 0.353 4.820 4.460 0.011 0.000 0.326 175 C C 1.148 176.069 174.990 -0.116 0.000 1.258 175 C CA -0.541 58.375 59.018 -0.171 0.000 1.676 175 C CB -0.087 27.446 27.740 -0.345 0.000 2.314 175 C HN 0.770 nan 8.230 nan 0.000 0.509 176 E N 4.840 125.009 120.200 -0.051 0.000 2.419 176 E HA 0.124 4.481 4.350 0.011 0.000 0.190 176 E C 0.057 176.641 176.600 -0.027 0.000 1.040 176 E CA 0.265 56.631 56.400 -0.056 0.000 0.900 176 E CB 0.054 29.719 29.700 -0.058 0.000 1.054 176 E HN 0.897 nan 8.360 nan 0.000 0.462 177 M N -2.035 117.555 119.600 -0.017 0.000 2.622 177 M HA 0.445 4.932 4.480 0.011 0.000 0.276 177 M C -0.129 176.172 176.300 0.003 0.000 1.265 177 M CA -0.995 54.319 55.300 0.023 0.000 0.850 177 M CB 1.902 34.566 32.600 0.108 0.000 1.720 177 M HN -0.165 nan 8.290 nan 0.000 0.465 178 S N 1.004 116.720 115.700 0.026 0.000 2.589 178 S HA 0.203 4.680 4.470 0.011 0.000 0.265 178 S C 0.848 175.478 174.600 0.050 0.000 1.342 178 S CA -0.747 57.463 58.200 0.016 0.000 1.005 178 S CB 0.842 64.059 63.200 0.028 0.000 0.909 178 S HN 0.921 nan 8.310 nan 0.000 0.555 179 L N 0.115 121.349 121.223 0.018 0.000 2.083 179 L HA -0.113 4.233 4.340 0.011 0.000 0.209 179 L C 2.722 179.670 176.870 0.129 0.000 1.083 179 L CA 2.358 57.231 54.840 0.055 0.000 0.752 179 L CB -0.631 41.427 42.059 -0.002 0.000 0.899 179 L HN 0.999 nan 8.230 nan 0.000 0.433 180 E N 0.260 120.513 120.200 0.088 0.000 2.031 180 E HA -0.217 4.140 4.350 0.011 0.000 0.193 180 E C 2.034 178.701 176.600 0.112 0.000 0.994 180 E CA 1.756 58.208 56.400 0.087 0.000 0.800 180 E CB -0.214 29.521 29.700 0.058 0.000 0.752 180 E HN 0.499 nan 8.360 nan 0.000 0.447 181 A N 1.124 124.016 122.820 0.119 0.000 1.883 181 A HA -0.199 4.128 4.320 0.011 0.000 0.217 181 A C 2.273 179.972 177.584 0.191 0.000 1.186 181 A CA 1.542 53.656 52.037 0.128 0.000 0.624 181 A CB -1.447 17.623 19.000 0.117 0.000 0.822 181 A HN 0.716 nan 8.150 nan 0.000 0.444 182 W N 0.542 121.855 121.300 0.021 0.000 2.358 182 W HA -0.152 4.513 4.660 0.008 0.000 0.303 182 W C 1.654 178.236 176.519 0.105 0.000 1.208 182 W CA 1.673 59.033 57.345 0.025 0.000 1.274 182 W CB -0.254 29.180 29.460 -0.044 0.000 1.138 182 W HN 0.318 nan 8.180 nan 0.000 0.515 183 L N 0.955 122.323 121.223 0.241 0.000 2.056 183 L HA -0.140 4.207 4.340 0.011 0.000 0.207 183 L C 2.756 179.655 176.870 0.048 0.000 1.078 183 L CA 1.237 56.153 54.840 0.127 0.000 0.749 183 L CB -1.283 40.855 42.059 0.132 0.000 0.901 183 L HN -0.109 nan 8.230 nan 0.000 0.433 184 A N -0.923 121.933 122.820 0.061 0.000 2.234 184 A HA -0.179 4.148 4.320 0.011 0.000 0.216 184 A C 2.030 179.612 177.584 -0.003 0.000 1.167 184 A CA 1.196 53.250 52.037 0.028 0.000 0.698 184 A CB -0.242 18.782 19.000 0.041 0.000 0.779 184 A HN 0.447 nan 8.150 nan 0.000 0.475 185 Q N -2.090 117.699 119.800 -0.018 0.000 2.319 185 Q HA 0.203 4.550 4.340 0.011 0.000 0.209 185 Q C 1.195 177.078 176.000 -0.194 0.000 0.884 185 Q CA 0.753 56.515 55.803 -0.068 0.000 0.938 185 Q CB 0.659 29.388 28.738 -0.016 0.000 1.098 185 Q HN 0.957 nan 8.270 nan 0.000 0.517 186 G N 1.046 109.749 108.800 -0.163 0.000 2.176 186 G HA2 -0.220 3.747 3.960 0.011 0.000 0.232 186 G HA3 -0.220 3.747 3.960 0.011 0.000 0.232 186 G C -0.171 174.553 174.900 -0.293 0.000 0.986 186 G CA 0.008 44.978 45.100 -0.216 0.000 0.643 186 G HN 0.429 nan 8.290 nan 0.000 0.522 187 H N 2.037 120.902 119.070 -0.342 0.000 2.615 187 H HA 0.466 5.028 4.556 0.010 0.000 0.363 187 H C -1.489 173.785 175.328 -0.089 0.000 1.148 187 H CA -0.326 55.539 56.048 -0.305 0.000 1.401 187 H CB 0.522 29.884 29.762 -0.667 0.000 1.461 187 H HN 0.238 nan 8.280 nan 0.000 0.588 188 P HA 0.013 nan 4.420 nan 0.000 0.272 188 P C -0.650 176.751 177.300 0.169 0.000 1.240 188 P CA -0.533 62.622 63.100 0.092 0.000 0.791 188 P CB 0.829 32.557 31.700 0.046 0.000 0.978 189 L N 2.747 124.041 121.223 0.118 0.000 2.499 189 L HA 0.148 4.495 4.340 0.011 0.000 0.273 189 L C -1.785 175.152 176.870 0.111 0.000 1.195 189 L CA -0.565 54.350 54.840 0.125 0.000 0.882 189 L CB -1.341 40.767 42.059 0.083 0.000 1.133 189 L HN 0.312 nan 8.230 nan 0.000 0.483 190 P HA 0.146 nan 4.420 nan 0.000 0.271 190 P C 0.165 177.473 177.300 0.014 0.000 1.218 190 P CA -0.384 62.738 63.100 0.037 0.000 0.780 190 P CB 0.722 32.395 31.700 -0.045 0.000 0.901 191 K N 1.262 121.660 120.400 -0.002 0.000 2.116 191 K HA 0.032 4.359 4.320 0.011 0.000 0.203 191 K C 0.661 177.252 176.600 -0.016 0.000 1.052 191 K CA 1.006 57.289 56.287 -0.008 0.000 0.952 191 K CB 0.167 32.658 32.500 -0.015 0.000 0.729 191 K HN 0.415 nan 8.250 nan 0.000 0.446 192 R N 0.540 121.022 120.500 -0.029 0.000 2.778 192 R HA 0.493 4.840 4.340 0.011 0.000 0.277 192 R C -1.076 175.202 176.300 -0.037 0.000 0.977 192 R CA -0.589 55.496 56.100 -0.025 0.000 0.950 192 R CB 2.328 32.602 30.300 -0.042 0.000 1.165 192 R HN -0.147 nan 8.270 nan 0.000 0.474 193 V N 2.355 122.268 119.914 -0.002 0.000 2.969 193 V HA 0.520 4.647 4.120 0.011 0.000 0.304 193 V C -1.558 174.558 176.094 0.037 0.000 1.192 193 V CA -0.802 61.484 62.300 -0.022 0.000 0.962 193 V CB 2.594 34.394 31.823 -0.038 0.000 1.045 193 V HN 0.892 nan 8.190 nan 0.000 0.428 194 R N 3.171 123.653 120.500 -0.031 0.000 2.854 194 R HA 0.636 4.983 4.340 0.011 0.000 0.271 194 R C -0.602 175.644 176.300 -0.090 0.000 0.996 194 R CA -0.768 55.307 56.100 -0.042 0.000 0.961 194 R CB 0.656 30.899 30.300 -0.096 0.000 1.182 194 R HN 0.497 nan 8.270 nan 0.000 0.479 195 N N 0.999 119.616 118.700 -0.138 0.000 2.434 195 N HA 0.046 4.793 4.740 0.011 0.000 0.268 195 N C 0.650 175.926 175.510 -0.389 0.000 1.256 195 N CA 0.639 53.453 53.050 -0.392 0.000 0.914 195 N CB 1.399 39.487 38.487 -0.666 0.000 1.088 195 N HN 0.810 nan 8.380 nan 0.000 0.478 196 A N 3.575 126.222 122.820 -0.289 0.000 1.948 196 A HA -0.231 4.096 4.320 0.011 0.000 0.220 196 A C 1.344 178.910 177.584 -0.030 0.000 1.177 196 A CA 1.474 53.456 52.037 -0.092 0.000 0.636 196 A CB -0.804 18.215 19.000 0.032 0.000 0.815 196 A HN 0.820 nan 8.150 nan 0.000 0.449 197 Y N -0.385 119.939 120.300 0.040 0.000 2.490 197 Y HA 0.410 4.968 4.550 0.012 0.000 0.281 197 Y C 0.372 176.299 175.900 0.046 0.000 1.174 197 Y CA -0.539 57.583 58.100 0.037 0.000 1.295 197 Y CB -0.465 38.017 38.460 0.036 0.000 1.062 197 Y HN 0.521 nan 8.280 nan 0.000 0.522 198 D N -2.261 118.091 120.400 -0.080 0.000 2.992 198 D HA 0.221 4.868 4.640 0.011 0.000 0.349 198 D C 0.581 176.832 176.300 -0.082 0.000 1.393 198 D CA -0.922 53.068 54.000 -0.016 0.000 0.887 198 D CB 0.397 41.241 40.800 0.073 0.000 1.447 198 D HN -0.210 nan 8.370 nan 0.000 0.524 199 R N -0.670 119.796 120.500 -0.056 0.000 2.200 199 R HA 0.159 4.506 4.340 0.011 0.000 0.208 199 R C 0.671 176.891 176.300 -0.134 0.000 1.033 199 R CA -0.077 55.979 56.100 -0.073 0.000 1.000 199 R CB -0.390 29.884 30.300 -0.043 0.000 0.906 199 R HN 0.385 nan 8.270 nan 0.000 0.462 200 R N 2.338 122.728 120.500 -0.182 0.000 2.523 200 R HA -0.066 4.281 4.340 0.011 0.000 0.281 200 R C -0.157 175.889 176.300 -0.424 0.000 0.969 200 R CA 0.811 56.713 56.100 -0.331 0.000 1.093 200 R CB 0.357 30.420 30.300 -0.395 0.000 0.917 200 R HN 0.049 nan 8.270 nan 0.000 0.408 201 T N 1.648 115.925 114.554 -0.462 0.000 2.885 201 T HA 0.620 4.977 4.350 0.011 0.000 0.285 201 T C -0.839 173.616 174.700 -0.409 0.000 1.019 201 T CA -0.800 61.098 62.100 -0.336 0.000 1.010 201 T CB 1.013 69.785 68.868 -0.160 0.000 1.022 201 T HN 0.607 nan 8.240 nan 0.000 0.466 202 W N -0.089 121.169 121.300 -0.071 0.000 3.205 202 W HA 0.624 5.288 4.660 0.006 0.000 0.336 202 W C -0.390 176.092 176.519 -0.062 0.000 1.171 202 W CA -1.021 56.295 57.345 -0.048 0.000 1.035 202 W CB 0.812 30.256 29.460 -0.026 0.000 1.500 202 W HN 0.490 nan 8.180 nan 0.000 0.602 203 E N 1.842 122.188 120.200 0.243 0.000 2.134 203 E HA 0.264 4.621 4.350 0.011 0.000 0.278 203 E C -0.842 175.807 176.600 0.080 0.000 0.959 203 E CA -0.772 55.680 56.400 0.086 0.000 0.783 203 E CB 1.790 31.498 29.700 0.013 0.000 1.095 203 E HN 0.356 nan 8.360 nan 0.000 0.399 204 L N 5.128 126.377 121.223 0.043 0.000 2.325 204 L HA 0.128 4.474 4.340 0.011 0.000 0.284 204 L C 0.816 177.715 176.870 0.050 0.000 1.089 204 L CA 0.050 54.911 54.840 0.035 0.000 0.836 204 L CB 0.349 42.420 42.059 0.020 0.000 1.184 204 L HN 0.557 nan 8.230 nan 0.000 0.444 205 L N 4.634 125.905 121.223 0.079 0.000 2.115 205 L HA 0.151 4.497 4.340 0.011 0.000 0.200 205 L C 0.739 177.669 176.870 0.099 0.000 1.094 205 L CA 0.525 55.420 54.840 0.091 0.000 0.769 205 L CB -0.075 42.055 42.059 0.118 0.000 0.931 205 L HN 0.611 nan 8.230 nan 0.000 0.455 206 R N -1.710 118.880 120.500 0.150 0.000 2.906 206 R HA 0.640 4.987 4.340 0.011 0.000 0.258 206 R C -1.564 174.847 176.300 0.184 0.000 1.156 206 R CA -0.840 55.349 56.100 0.148 0.000 0.996 206 R CB 0.968 31.352 30.300 0.140 0.000 1.259 206 R HN -0.202 nan 8.270 nan 0.000 0.462 207 L N -0.783 120.539 121.223 0.164 0.000 2.298 207 L HA 0.845 5.192 4.340 0.011 0.000 0.268 207 L C -0.124 176.880 176.870 0.223 0.000 1.010 207 L CA -0.135 54.796 54.840 0.152 0.000 0.812 207 L CB 2.145 44.263 42.059 0.099 0.000 1.331 207 L HN 0.815 nan 8.230 nan 0.000 0.450 208 G N -0.558 108.359 108.800 0.196 0.000 2.719 208 G HA2 0.457 4.423 3.960 0.011 0.000 0.298 208 G HA3 0.457 4.423 3.960 0.011 0.000 0.298 208 G C -0.434 174.550 174.900 0.139 0.000 1.411 208 G CA -0.205 45.036 45.100 0.235 0.000 0.991 208 G HN 0.507 nan 8.290 nan 0.000 0.509 209 E N 0.216 120.487 120.200 0.120 0.000 2.478 209 E HA 0.076 4.433 4.350 0.011 0.000 0.194 209 E C 0.689 177.338 176.600 0.083 0.000 1.045 209 E CA 0.095 56.544 56.400 0.082 0.000 0.868 209 E CB 0.179 29.917 29.700 0.064 0.000 0.885 209 E HN 0.680 nan 8.360 nan 0.000 0.505 210 E N 1.268 121.539 120.200 0.118 0.000 2.481 210 E HA -0.053 4.304 4.350 0.011 0.000 0.263 210 E C -0.343 176.297 176.600 0.067 0.000 0.992 210 E CA 0.128 56.594 56.400 0.111 0.000 0.938 210 E CB 0.368 30.179 29.700 0.185 0.000 0.933 210 E HN 0.049 nan 8.360 nan 0.000 0.453 211 D N 3.581 124.012 120.400 0.051 0.000 2.343 211 D HA 0.062 4.709 4.640 0.011 0.000 0.255 211 D C -1.892 174.420 176.300 0.019 0.000 1.187 211 D CA -1.968 52.051 54.000 0.032 0.000 0.875 211 D CB 1.121 41.938 40.800 0.029 0.000 1.136 211 D HN 0.061 nan 8.370 nan 0.000 0.469 212 P HA -0.141 nan 4.420 nan 0.000 0.218 212 P C 0.649 177.946 177.300 -0.004 0.000 1.146 212 P CA 1.133 64.230 63.100 -0.006 0.000 0.813 212 P CB 0.247 31.951 31.700 0.006 0.000 0.778 213 K N -1.143 119.260 120.400 0.006 0.000 2.459 213 K HA 0.025 4.352 4.320 0.011 0.000 0.193 213 K C 2.088 178.691 176.600 0.005 0.000 1.030 213 K CA 1.100 57.390 56.287 0.005 0.000 1.026 213 K CB -0.198 32.308 32.500 0.009 0.000 0.809 213 K HN 0.116 nan 8.250 nan 0.000 0.504 214 E N 0.019 120.225 120.200 0.010 0.000 2.290 214 E HA 0.087 4.444 4.350 0.011 0.000 0.197 214 E C 0.366 176.975 176.600 0.014 0.000 0.948 214 E CA -0.009 56.400 56.400 0.015 0.000 0.895 214 E CB -0.124 29.591 29.700 0.026 0.000 0.865 214 E HN -0.017 nan 8.360 nan 0.000 0.486 215 L N 2.537 123.765 121.223 0.008 0.000 2.700 215 L HA 0.136 4.482 4.340 0.011 0.000 0.272 215 L C -2.308 174.549 176.870 -0.022 0.000 1.176 215 L CA -0.703 54.137 54.840 -0.001 0.000 0.961 215 L CB 0.378 42.406 42.059 -0.051 0.000 1.249 215 L HN 0.210 nan 8.230 nan 0.000 0.487 216 P HA 0.401 nan 4.420 nan 0.000 0.301 216 P C -0.768 176.507 177.300 -0.042 0.000 1.337 216 P CA -0.712 62.375 63.100 -0.021 0.000 0.889 216 P CB 1.849 33.548 31.700 -0.002 0.000 1.050 217 L N 4.796 125.974 121.223 -0.075 0.000 2.352 217 L HA 0.371 4.718 4.340 0.011 0.000 0.269 217 L C -1.174 175.653 176.870 -0.072 0.000 1.034 217 L CA -2.415 52.357 54.840 -0.113 0.000 0.806 217 L CB 1.137 43.062 42.059 -0.222 0.000 1.244 217 L HN 0.159 nan 8.230 nan 0.000 0.447 218 P HA -0.182 nan 4.420 nan 0.000 0.222 218 P C 1.069 178.351 177.300 -0.030 0.000 1.139 218 P CA 1.138 64.215 63.100 -0.038 0.000 0.790 218 P CB 0.210 31.887 31.700 -0.039 0.000 0.757 219 G N -2.489 106.288 108.800 -0.040 0.000 2.719 219 G HA2 0.299 4.266 3.960 0.011 0.000 0.211 219 G HA3 0.299 4.266 3.960 0.011 0.000 0.211 219 G C 1.104 175.998 174.900 -0.011 0.000 1.140 219 G CA 0.530 45.619 45.100 -0.018 0.000 0.790 219 G HN 0.384 nan 8.290 nan 0.000 0.529 220 G N -1.108 107.682 108.800 -0.017 0.000 2.179 220 G HA2 -0.162 3.804 3.960 0.011 0.000 0.220 220 G HA3 -0.162 3.804 3.960 0.011 0.000 0.220 220 G C 0.153 175.048 174.900 -0.008 0.000 0.990 220 G CA 0.180 45.275 45.100 -0.010 0.000 0.646 220 G HN 0.568 nan 8.290 nan 0.000 0.517 221 L N 1.372 122.588 121.223 -0.012 0.000 2.454 221 L HA 0.866 5.213 4.340 0.011 0.000 0.256 221 L C 0.758 177.619 176.870 -0.015 0.000 1.136 221 L CA -0.019 54.821 54.840 -0.000 0.000 0.804 221 L CB 1.604 43.681 42.059 0.029 0.000 1.181 221 L HN 0.275 nan 8.230 nan 0.000 0.469 222 S N 1.268 116.965 115.700 -0.005 0.000 2.565 222 S HA 0.305 4.782 4.470 0.011 0.000 0.290 222 S C 1.118 175.701 174.600 -0.028 0.000 1.150 222 S CA -0.649 57.539 58.200 -0.019 0.000 1.058 222 S CB 0.538 63.734 63.200 -0.008 0.000 1.032 222 S HN 0.766 nan 8.310 nan 0.000 0.510 223 L N 3.603 124.786 121.223 -0.068 0.000 1.976 223 L HA -0.169 4.178 4.340 0.011 0.000 0.223 223 L C 2.236 179.078 176.870 -0.048 0.000 1.081 223 L CA 2.013 56.787 54.840 -0.110 0.000 0.784 223 L CB -0.484 41.505 42.059 -0.118 0.000 0.896 223 L HN 0.832 nan 8.230 nan 0.000 0.438 224 L N 0.248 121.469 121.223 -0.002 0.000 2.012 224 L HA -0.292 4.055 4.340 0.011 0.000 0.210 224 L C 1.968 178.852 176.870 0.023 0.000 1.073 224 L CA 2.341 57.202 54.840 0.035 0.000 0.748 224 L CB -0.639 41.433 42.059 0.023 0.000 0.891 224 L HN 0.316 nan 8.230 nan 0.000 0.431 225 D N -1.921 118.483 120.400 0.007 0.000 2.123 225 D HA -0.270 4.377 4.640 0.011 0.000 0.196 225 D C 1.902 178.190 176.300 -0.020 0.000 0.992 225 D CA 1.676 55.674 54.000 -0.003 0.000 0.833 225 D CB -0.394 40.408 40.800 0.003 0.000 0.954 225 D HN 0.488 nan 8.370 nan 0.000 0.455 226 Y N 1.078 121.287 120.300 -0.153 0.000 2.114 226 Y HA -0.300 4.257 4.550 0.012 0.000 0.282 226 Y C 2.206 177.980 175.900 -0.210 0.000 1.165 226 Y CA 1.796 59.765 58.100 -0.219 0.000 1.148 226 Y CB -0.331 37.918 38.460 -0.352 0.000 0.972 226 Y HN 0.152 nan 8.280 nan 0.000 0.504 227 H N -0.592 118.337 119.070 -0.234 0.000 2.428 227 H HA 0.074 4.636 4.556 0.011 0.000 0.296 227 H C 2.322 177.491 175.328 -0.265 0.000 1.062 227 H CA 1.008 56.853 56.048 -0.337 0.000 1.350 227 H CB -0.681 28.978 29.762 -0.172 0.000 1.403 227 H HN 0.508 nan 8.280 nan 0.000 0.533 228 A N 0.854 123.643 122.820 -0.052 0.000 1.930 228 A HA -0.140 4.187 4.320 0.011 0.000 0.217 228 A C 2.564 180.090 177.584 -0.097 0.000 1.175 228 A CA 1.649 53.653 52.037 -0.056 0.000 0.627 228 A CB -0.486 18.497 19.000 -0.028 0.000 0.815 228 A HN 0.488 nan 8.150 nan 0.000 0.443 229 S N -0.972 114.644 115.700 -0.140 0.000 2.515 229 S HA 0.032 4.509 4.470 0.011 0.000 0.231 229 S C 1.329 175.821 174.600 -0.180 0.000 0.987 229 S CA 0.849 58.964 58.200 -0.141 0.000 0.936 229 S CB -0.033 63.085 63.200 -0.137 0.000 0.766 229 S HN 0.458 nan 8.310 nan 0.000 0.528 230 K N 0.608 120.863 120.400 -0.242 0.000 2.358 230 K HA 0.264 4.591 4.320 0.011 0.000 0.200 230 K C 1.087 177.587 176.600 -0.167 0.000 1.030 230 K CA 0.483 56.629 56.287 -0.235 0.000 1.097 230 K CB 0.331 32.618 32.500 -0.356 0.000 0.862 230 K HN 0.517 nan 8.250 nan 0.000 0.534 231 G N 2.368 111.090 108.800 -0.131 0.000 2.198 231 G HA2 -0.328 3.638 3.960 0.011 0.000 0.260 231 G HA3 -0.328 3.638 3.960 0.011 0.000 0.260 231 G C 0.741 175.582 174.900 -0.099 0.000 1.025 231 G CA 0.482 45.528 45.100 -0.091 0.000 0.769 231 G HN 0.344 nan 8.290 nan 0.000 0.507 232 R N -0.931 119.484 120.500 -0.143 0.000 2.276 232 R HA 0.360 4.707 4.340 0.011 0.000 0.196 232 R C 2.167 178.417 176.300 -0.083 0.000 0.961 232 R CA 0.380 56.383 56.100 -0.162 0.000 1.024 232 R CB 0.024 30.107 30.300 -0.361 0.000 0.940 232 R HN 0.490 nan 8.270 nan 0.000 0.480 233 L N 0.354 121.543 121.223 -0.057 0.000 2.592 233 L HA 0.104 4.450 4.340 0.011 0.000 0.227 233 L C -0.096 176.763 176.870 -0.018 0.000 1.127 233 L CA 0.175 55.000 54.840 -0.026 0.000 0.884 233 L CB 0.353 42.404 42.059 -0.013 0.000 1.065 233 L HN 0.005 nan 8.230 nan 0.000 0.457 234 Q N 0.304 120.090 119.800 -0.024 0.000 2.503 234 Q HA 0.439 4.786 4.340 0.011 0.000 0.227 234 Q C 0.740 176.735 176.000 -0.008 0.000 1.109 234 Q CA 0.436 56.230 55.803 -0.015 0.000 0.922 234 Q CB 0.902 29.629 28.738 -0.019 0.000 1.249 234 Q HN 0.295 nan 8.270 nan 0.000 0.530 235 G N 2.026 110.824 108.800 -0.002 0.000 2.296 235 G HA2 -0.158 3.808 3.960 0.011 0.000 0.188 235 G HA3 -0.158 3.808 3.960 0.011 0.000 0.188 235 G C 0.031 174.936 174.900 0.008 0.000 1.000 235 G CA -0.682 44.420 45.100 0.004 0.000 0.672 235 G HN 0.392 nan 8.290 nan 0.000 0.483 236 R N -0.228 120.276 120.500 0.008 0.000 2.771 236 R HA 0.599 4.946 4.340 0.011 0.000 0.274 236 R C -1.642 174.664 176.300 0.011 0.000 0.987 236 R CA -0.936 55.172 56.100 0.014 0.000 0.908 236 R CB 1.933 32.247 30.300 0.024 0.000 1.213 236 R HN 0.071 nan 8.270 nan 0.000 0.468 237 E N 0.563 120.772 120.200 0.015 0.000 2.092 237 E HA 0.269 4.626 4.350 0.011 0.000 0.271 237 E C -0.373 176.240 176.600 0.021 0.000 0.919 237 E CA -0.153 56.257 56.400 0.016 0.000 0.760 237 E CB 1.420 31.130 29.700 0.016 0.000 1.106 237 E HN 0.737 nan 8.360 nan 0.000 0.408 238 G N 2.506 111.319 108.800 0.022 0.000 2.432 238 G HA2 0.357 4.324 3.960 0.011 0.000 0.239 238 G HA3 0.357 4.324 3.960 0.011 0.000 0.239 238 G C 0.572 175.489 174.900 0.030 0.000 1.291 238 G CA 0.025 45.143 45.100 0.030 0.000 0.863 238 G HN 0.596 nan 8.290 nan 0.000 0.560 239 G N 1.662 110.481 108.800 0.032 0.000 2.992 239 G HA2 0.382 4.349 3.960 0.011 0.000 0.195 239 G HA3 0.382 4.349 3.960 0.011 0.000 0.195 239 G C 0.683 175.599 174.900 0.026 0.000 2.032 239 G CA -0.483 44.635 45.100 0.029 0.000 0.831 239 G HN 0.646 nan 8.290 nan 0.000 0.647 240 R N -1.517 118.998 120.500 0.025 0.000 2.603 240 R HA 0.590 4.937 4.340 0.011 0.000 0.225 240 R C -0.781 175.518 176.300 -0.001 0.000 1.300 240 R CA -0.595 55.517 56.100 0.020 0.000 1.075 240 R CB 0.543 30.861 30.300 0.031 0.000 1.663 240 R HN 0.146 nan 8.270 nan 0.000 0.546 241 V N 1.299 121.203 119.914 -0.017 0.000 2.333 241 V HA 0.482 4.609 4.120 0.011 0.000 0.274 241 V C -0.406 175.613 176.094 -0.126 0.000 1.028 241 V CA -0.743 61.492 62.300 -0.108 0.000 0.851 241 V CB 0.925 32.662 31.823 -0.143 0.000 1.000 241 V HN 0.764 nan 8.190 nan 0.000 0.456 242 A N 5.102 127.827 122.820 -0.157 0.000 2.290 242 A HA 0.684 5.011 4.320 0.011 0.000 0.310 242 A C -1.055 176.394 177.584 -0.224 0.000 1.202 242 A CA -0.473 51.503 52.037 -0.101 0.000 0.837 242 A CB 0.413 19.368 19.000 -0.074 0.000 1.139 242 A HN 0.834 nan 8.150 nan 0.000 0.509 243 W N 2.464 123.751 121.300 -0.022 0.000 2.335 243 W HA 0.518 5.185 4.660 0.012 0.000 0.307 243 W C 0.093 176.572 176.519 -0.066 0.000 1.117 243 W CA -0.003 57.318 57.345 -0.039 0.000 1.228 243 W CB 1.610 31.060 29.460 -0.017 0.000 1.240 243 W HN 0.538 nan 8.180 nan 0.000 0.468 244 V N 2.915 122.866 119.914 0.062 0.000 3.166 244 V HA 0.928 5.055 4.120 0.011 0.000 0.317 244 V C -0.732 175.402 176.094 0.067 0.000 1.136 244 V CA -1.119 61.161 62.300 -0.033 0.000 1.035 244 V CB 2.024 33.621 31.823 -0.377 0.000 1.110 244 V HN 0.492 nan 8.190 nan 0.000 0.450 245 A N 1.509 124.424 122.820 0.158 0.000 2.486 245 A HA 0.627 4.954 4.320 0.011 0.000 0.300 245 A C -1.425 176.395 177.584 0.393 0.000 1.048 245 A CA -0.540 51.636 52.037 0.232 0.000 0.696 245 A CB 1.553 20.641 19.000 0.146 0.000 1.278 245 A HN 0.791 nan 8.150 nan 0.000 0.405 246 D N 2.592 123.237 120.400 0.409 0.000 2.339 246 D HA 0.375 5.021 4.640 0.011 0.000 0.256 246 D C -1.621 174.766 176.300 0.144 0.000 1.214 246 D CA -1.595 52.607 54.000 0.337 0.000 0.877 246 D CB 1.201 42.178 40.800 0.294 0.000 1.111 246 D HN 0.120 nan 8.370 nan 0.000 0.478 247 P HA -0.216 nan 4.420 nan 0.000 0.218 247 P C 0.935 178.244 177.300 0.016 0.000 1.147 247 P CA 2.127 65.230 63.100 0.004 0.000 0.827 247 P CB 0.114 31.792 31.700 -0.036 0.000 0.778 248 K N -0.914 119.506 120.400 0.033 0.000 2.432 248 K HA -0.036 4.290 4.320 0.011 0.000 0.196 248 K C 0.904 177.547 176.600 0.072 0.000 1.038 248 K CA 1.261 57.575 56.287 0.044 0.000 0.986 248 K CB -0.412 32.109 32.500 0.035 0.000 0.782 248 K HN 0.127 nan 8.250 nan 0.000 0.485 249 D N -0.812 119.642 120.400 0.090 0.000 2.752 249 D HA 0.111 4.758 4.640 0.011 0.000 0.242 249 D C -2.569 173.803 176.300 0.121 0.000 1.295 249 D CA -1.314 52.752 54.000 0.110 0.000 0.846 249 D CB 1.666 42.530 40.800 0.108 0.000 1.454 249 D HN 0.017 nan 8.370 nan 0.000 0.535 250 P HA 0.002 nan 4.420 nan 0.000 0.239 250 P C 0.525 177.913 177.300 0.146 0.000 1.184 250 P CA 0.138 63.282 63.100 0.074 0.000 0.760 250 P CB 0.250 31.891 31.700 -0.099 0.000 0.884 251 R N 0.184 120.789 120.500 0.174 0.000 2.694 251 R HA 0.254 4.601 4.340 0.011 0.000 0.334 251 R C 0.529 176.895 176.300 0.111 0.000 1.143 251 R CA -0.134 56.062 56.100 0.160 0.000 1.073 251 R CB 0.351 30.749 30.300 0.164 0.000 1.366 251 R HN 0.053 nan 8.270 nan 0.000 0.577 252 K N 1.684 122.153 120.400 0.115 0.000 2.664 252 K HA 0.306 4.633 4.320 0.011 0.000 0.234 252 K C -2.815 173.864 176.600 0.133 0.000 0.980 252 K CA -1.916 54.434 56.287 0.105 0.000 0.996 252 K CB 1.666 34.231 32.500 0.108 0.000 1.190 252 K HN -0.173 nan 8.250 nan 0.000 0.479 253 P HA 0.038 nan 4.420 nan 0.000 0.266 253 P C -0.821 176.698 177.300 0.365 0.000 1.195 253 P CA -0.133 63.097 63.100 0.216 0.000 0.768 253 P CB 0.463 32.167 31.700 0.007 0.000 0.838 254 I N 3.688 124.499 120.570 0.402 0.000 2.534 254 I HA 0.308 4.485 4.170 0.011 0.000 0.288 254 I C -2.414 173.602 176.117 -0.168 0.000 1.077 254 I CA -3.129 58.254 61.300 0.138 0.000 1.051 254 I CB 1.857 39.812 38.000 -0.075 0.000 1.234 254 I HN 0.166 nan 8.210 nan 0.000 0.425 255 P HA 0.320 nan 4.420 nan 0.000 0.274 255 P C -0.944 176.033 177.300 -0.538 0.000 1.237 255 P CA 0.340 62.747 63.100 -1.155 0.000 0.793 255 P CB 1.646 32.667 31.700 -1.132 0.000 0.977 256 H N -0.883 117.871 119.070 -0.526 0.000 2.917 256 H HA 0.522 5.085 4.556 0.012 0.000 0.299 256 H C -1.242 173.983 175.328 -0.171 0.000 1.418 256 H CA -0.749 55.151 56.048 -0.246 0.000 1.138 256 H CB 0.946 30.501 29.762 -0.345 0.000 1.830 256 H HN 0.173 nan 8.280 nan 0.000 0.514 257 L N 1.713 123.122 121.223 0.309 0.000 2.322 257 L HA 0.260 4.606 4.340 0.011 0.000 0.281 257 L C 1.351 178.270 176.870 0.082 0.000 1.014 257 L CA -0.282 54.636 54.840 0.131 0.000 0.815 257 L CB 1.996 44.121 42.059 0.110 0.000 1.247 257 L HN 0.917 nan 8.230 nan 0.000 0.421 258 T N -1.805 112.763 114.554 0.023 0.000 2.849 258 T HA -0.132 4.225 4.350 0.011 0.000 0.270 258 T C 1.652 176.362 174.700 0.017 0.000 1.066 258 T CA 1.175 63.278 62.100 0.006 0.000 1.130 258 T CB -0.246 68.636 68.868 0.023 0.000 0.864 258 T HN 0.796 nan 8.240 nan 0.000 0.481 259 G N 1.235 110.055 108.800 0.032 0.000 2.511 259 G HA2 0.160 4.127 3.960 0.011 0.000 0.217 259 G HA3 0.160 4.127 3.960 0.011 0.000 0.217 259 G C 1.160 176.083 174.900 0.037 0.000 1.133 259 G CA 0.102 45.221 45.100 0.033 0.000 0.792 259 G HN 0.578 nan 8.290 nan 0.000 0.539 260 L N 0.345 121.602 121.223 0.056 0.000 2.848 260 L HA 0.495 4.842 4.340 0.011 0.000 0.240 260 L C -0.362 176.534 176.870 0.044 0.000 1.232 260 L CA -0.064 54.844 54.840 0.113 0.000 1.031 260 L CB 0.069 42.234 42.059 0.177 0.000 1.338 260 L HN 0.025 nan 8.230 nan 0.000 0.509 261 L N -0.088 121.105 121.223 -0.049 0.000 2.431 261 L HA 0.589 4.936 4.340 0.011 0.000 0.266 261 L C -0.843 175.967 176.870 -0.100 0.000 0.978 261 L CA -0.713 54.044 54.840 -0.139 0.000 0.822 261 L CB 3.090 45.011 42.059 -0.230 0.000 1.310 261 L HN -0.280 nan 8.230 nan 0.000 0.409 262 V N 2.811 122.655 119.914 -0.117 0.000 2.495 262 V HA 0.407 4.534 4.120 0.011 0.000 0.298 262 V C -2.295 173.694 176.094 -0.175 0.000 1.031 262 V CA -2.004 60.217 62.300 -0.132 0.000 0.871 262 V CB 1.900 33.650 31.823 -0.123 0.000 0.988 262 V HN 0.555 nan 8.190 nan 0.000 0.432 263 P HA 0.094 nan 4.420 nan 0.000 0.268 263 P C -0.550 176.562 177.300 -0.313 0.000 1.204 263 P CA 0.030 62.923 63.100 -0.346 0.000 0.768 263 P CB 0.504 31.787 31.700 -0.695 0.000 0.842 264 V N 5.682 125.462 119.914 -0.223 0.000 2.304 264 V HA 0.137 4.264 4.120 0.011 0.000 0.262 264 V C 0.458 176.436 176.094 -0.194 0.000 1.061 264 V CA -0.270 61.926 62.300 -0.173 0.000 0.872 264 V CB -0.211 31.547 31.823 -0.109 0.000 1.077 264 V HN 0.390 nan 8.190 nan 0.000 0.480 265 L N 4.895 125.973 121.223 -0.241 0.000 2.360 265 L HA 0.367 4.714 4.340 0.011 0.000 0.276 265 L C 0.709 177.497 176.870 -0.137 0.000 1.121 265 L CA 0.316 55.016 54.840 -0.233 0.000 0.845 265 L CB 0.747 42.615 42.059 -0.317 0.000 1.143 265 L HN 0.533 nan 8.230 nan 0.000 0.452 266 T N 2.520 117.013 114.554 -0.103 0.000 2.948 266 T HA 0.230 4.586 4.350 0.011 0.000 0.285 266 T C 1.139 175.798 174.700 -0.069 0.000 1.019 266 T CA -0.697 61.364 62.100 -0.064 0.000 1.013 266 T CB 1.881 70.724 68.868 -0.041 0.000 1.117 266 T HN 0.516 nan 8.240 nan 0.000 0.533 267 L N 0.862 122.058 121.223 -0.045 0.000 2.261 267 L HA -0.177 4.170 4.340 0.011 0.000 0.216 267 L C 2.325 179.164 176.870 -0.052 0.000 1.114 267 L CA 1.581 56.391 54.840 -0.050 0.000 0.777 267 L CB -0.271 41.780 42.059 -0.013 0.000 0.910 267 L HN 0.760 nan 8.230 nan 0.000 0.440 268 E N -1.488 118.692 120.200 -0.033 0.000 2.112 268 E HA -0.189 4.168 4.350 0.011 0.000 0.190 268 E C 1.484 178.072 176.600 -0.019 0.000 0.979 268 E CA 1.041 57.428 56.400 -0.022 0.000 0.814 268 E CB -0.375 29.319 29.700 -0.010 0.000 0.762 268 E HN 0.373 nan 8.360 nan 0.000 0.460 269 D N 0.781 121.173 120.400 -0.013 0.000 2.351 269 D HA -0.077 4.570 4.640 0.011 0.000 0.216 269 D C 0.411 176.740 176.300 0.049 0.000 0.968 269 D CA 0.800 54.833 54.000 0.054 0.000 0.899 269 D CB 0.163 40.998 40.800 0.059 0.000 0.907 269 D HN 0.259 nan 8.370 nan 0.000 0.514 270 L N 1.244 122.416 121.223 -0.085 0.000 2.828 270 L HA 0.172 4.518 4.340 0.011 0.000 0.233 270 L C 0.707 177.514 176.870 -0.106 0.000 1.250 270 L CA -0.565 54.160 54.840 -0.191 0.000 1.125 270 L CB -0.385 41.398 42.059 -0.459 0.000 1.432 270 L HN 0.075 nan 8.230 nan 0.000 0.444 271 H N 0.673 119.723 119.070 -0.034 0.000 3.004 271 H HA 0.522 5.085 4.556 0.011 0.000 0.316 271 H C 0.914 176.233 175.328 -0.016 0.000 1.014 271 H CA 0.407 56.441 56.048 -0.023 0.000 1.454 271 H CB -0.006 29.745 29.762 -0.018 0.000 1.472 271 H HN 0.705 nan 8.280 nan 0.000 0.571 277 L N 1.101 122.350 121.223 0.043 0.000 2.334 277 L HA 1.000 5.347 4.340 0.011 0.000 0.277 277 L C 0.579 177.484 176.870 0.058 0.000 1.075 277 L CA -0.448 54.421 54.840 0.048 0.000 0.804 277 L CB 0.401 42.490 42.059 0.050 0.000 1.174 277 L HN 1.993 nan 8.230 nan 0.000 0.438 278 A N 2.698 125.577 122.820 0.098 0.000 2.277 278 A HA 0.665 4.992 4.320 0.011 0.000 0.318 278 A C 0.553 178.205 177.584 0.113 0.000 1.339 278 A CA -0.307 51.790 52.037 0.100 0.000 0.875 278 A CB 0.361 19.422 19.000 0.101 0.000 1.158 278 A HN 1.015 nan 8.150 nan 0.000 0.514 279 L N 2.237 123.510 121.223 0.083 0.000 2.592 279 L HA 0.074 4.421 4.340 0.011 0.000 0.227 279 L C 1.327 178.358 176.870 0.269 0.000 1.127 279 L CA 0.238 55.155 54.840 0.130 0.000 0.884 279 L CB -0.350 41.789 42.059 0.134 0.000 1.065 279 L HN 0.745 nan 8.230 nan 0.000 0.457 280 S N 0.240 116.047 115.700 0.177 0.000 2.655 280 S HA 0.690 5.167 4.470 0.011 0.000 0.265 280 S C -0.375 174.315 174.600 0.151 0.000 1.240 280 S CA -0.513 57.781 58.200 0.156 0.000 0.986 280 S CB 1.574 64.848 63.200 0.125 0.000 0.985 280 S HN 0.122 nan 8.310 nan 0.000 0.562 281 L N 0.415 121.715 121.223 0.129 0.000 2.565 281 L HA 0.426 4.773 4.340 0.011 0.000 0.261 281 L C -2.939 174.002 176.870 0.119 0.000 0.932 281 L CA -2.109 52.795 54.840 0.107 0.000 0.878 281 L CB 2.724 44.831 42.059 0.080 0.000 1.333 281 L HN 0.461 nan 8.230 nan 0.000 0.409 282 P HA -0.079 nan 4.420 nan 0.000 0.265 282 P C 0.609 177.980 177.300 0.118 0.000 1.193 282 P CA -0.097 63.065 63.100 0.103 0.000 0.765 282 P CB 0.336 32.045 31.700 0.014 0.000 0.823 283 W N 4.826 126.195 121.300 0.116 0.000 2.313 283 W HA -0.194 4.472 4.660 0.011 0.000 0.293 283 W C 0.548 177.138 176.519 0.118 0.000 1.216 283 W CA 1.477 58.934 57.345 0.186 0.000 1.223 283 W CB -1.085 28.504 29.460 0.214 0.000 1.138 283 W HN 0.425 nan 8.180 nan 0.000 0.535 284 E N 0.388 120.042 120.200 -0.909 0.000 2.371 284 E HA -0.128 4.229 4.350 0.011 0.000 0.194 284 E C 2.116 178.447 176.600 -0.449 0.000 1.012 284 E CA 0.650 56.461 56.400 -0.982 0.000 0.860 284 E CB -0.032 28.966 29.700 -1.170 0.000 0.811 284 E HN 0.419 nan 8.360 nan 0.000 0.502 285 E N 1.070 121.112 120.200 -0.263 0.000 2.042 285 E HA -0.128 4.229 4.350 0.011 0.000 0.189 285 E C 2.182 178.714 176.600 -0.114 0.000 0.974 285 E CA 0.247 56.554 56.400 -0.154 0.000 0.806 285 E CB 0.144 29.796 29.700 -0.081 0.000 0.769 285 E HN 0.011 nan 8.360 nan 0.000 0.451 286 R N 1.084 121.555 120.500 -0.049 0.000 2.096 286 R HA -0.190 4.157 4.340 0.011 0.000 0.240 286 R C 2.513 178.772 176.300 -0.068 0.000 1.139 286 R CA 1.927 58.030 56.100 0.004 0.000 0.952 286 R CB -0.337 30.044 30.300 0.135 0.000 0.854 286 R HN 0.011 nan 8.270 nan 0.000 0.436 287 R N 0.235 120.598 120.500 -0.229 0.000 2.139 287 R HA -0.166 4.181 4.340 0.011 0.000 0.243 287 R C 2.413 178.542 176.300 -0.285 0.000 1.145 287 R CA 1.746 57.519 56.100 -0.545 0.000 0.976 287 R CB -0.204 29.571 30.300 -0.875 0.000 0.866 287 R HN 0.258 nan 8.270 nan 0.000 0.449 288 R N 0.162 120.533 120.500 -0.216 0.000 2.062 288 R HA -0.025 4.322 4.340 0.011 0.000 0.226 288 R C 2.205 178.440 176.300 -0.108 0.000 1.125 288 R CA 1.002 57.009 56.100 -0.155 0.000 0.966 288 R CB -0.047 30.162 30.300 -0.153 0.000 0.861 288 R HN 0.200 nan 8.270 nan 0.000 0.433 289 R N -0.410 120.032 120.500 -0.096 0.000 2.105 289 R HA -0.083 4.264 4.340 0.011 0.000 0.239 289 R C 2.181 178.443 176.300 -0.063 0.000 1.135 289 R CA 1.960 58.011 56.100 -0.082 0.000 0.967 289 R CB -0.332 29.922 30.300 -0.078 0.000 0.861 289 R HN 0.275 nan 8.270 nan 0.000 0.442 290 T N 0.489 115.027 114.554 -0.026 0.000 2.652 290 T HA -0.147 4.210 4.350 0.011 0.000 0.267 290 T C 1.790 176.487 174.700 -0.006 0.000 1.039 290 T CA 1.202 63.330 62.100 0.046 0.000 1.153 290 T CB -0.154 68.814 68.868 0.166 0.000 0.863 290 T HN 0.282 nan 8.240 nan 0.000 0.428 291 R N 0.824 121.326 120.500 0.003 0.000 2.120 291 R HA -0.046 4.301 4.340 0.011 0.000 0.234 291 R C 2.340 178.549 176.300 -0.152 0.000 1.123 291 R CA 1.138 57.190 56.100 -0.079 0.000 0.975 291 R CB -0.132 30.159 30.300 -0.016 0.000 0.866 291 R HN 0.555 nan 8.270 nan 0.000 0.446 292 E N -0.094 120.044 120.200 -0.103 0.000 2.427 292 E HA -0.059 4.298 4.350 0.011 0.000 0.196 292 E C 1.630 178.198 176.600 -0.052 0.000 1.028 292 E CA 0.550 56.899 56.400 -0.086 0.000 0.864 292 E CB 0.228 29.873 29.700 -0.093 0.000 0.813 292 E HN 0.397 nan 8.360 nan 0.000 0.514 293 I N 0.345 120.880 120.570 -0.059 0.000 2.810 293 I HA -0.032 4.145 4.170 0.011 0.000 0.262 293 I C 2.442 178.563 176.117 0.007 0.000 1.131 293 I CA 0.350 61.686 61.300 0.061 0.000 1.453 293 I CB -0.045 37.973 38.000 0.030 0.000 1.161 293 I HN -0.011 nan 8.210 nan 0.000 0.444 294 A N 0.425 123.083 122.820 -0.269 0.000 1.933 294 A HA -0.170 4.156 4.320 0.011 0.000 0.218 294 A C 2.438 179.813 177.584 -0.348 0.000 1.175 294 A CA 2.163 53.886 52.037 -0.523 0.000 0.628 294 A CB -0.612 17.484 19.000 -1.507 0.000 0.814 294 A HN 0.360 nan 8.150 nan 0.000 0.444 295 S N -1.890 113.665 115.700 -0.242 0.000 2.406 295 S HA -0.131 4.345 4.470 0.011 0.000 0.228 295 S C 1.462 176.045 174.600 -0.028 0.000 1.020 295 S CA 1.029 59.150 58.200 -0.133 0.000 0.965 295 S CB -0.427 62.719 63.200 -0.091 0.000 0.798 295 S HN 0.836 nan 8.310 nan 0.000 0.488 296 W N 2.651 123.849 121.300 -0.170 0.000 2.338 296 W HA -0.065 4.602 4.660 0.011 0.000 0.304 296 W C 1.538 177.981 176.519 -0.127 0.000 1.212 296 W CA 0.893 58.161 57.345 -0.129 0.000 1.264 296 W CB -0.613 28.776 29.460 -0.118 0.000 1.142 296 W HN 0.200 nan 8.180 nan 0.000 0.512 297 I N 0.498 120.885 120.570 -0.305 0.000 2.163 297 I HA -0.181 3.996 4.170 0.011 0.000 0.240 297 I C 2.678 178.585 176.117 -0.350 0.000 1.081 297 I CA 1.676 62.685 61.300 -0.485 0.000 1.353 297 I CB -1.399 36.391 38.000 -0.350 0.000 1.054 297 I HN 0.141 nan 8.210 nan 0.000 0.407 298 G N 0.554 109.206 108.800 -0.247 0.000 2.475 298 G HA2 -0.267 3.700 3.960 0.011 0.000 0.220 298 G HA3 -0.267 3.700 3.960 0.011 0.000 0.220 298 G C 1.826 176.620 174.900 -0.177 0.000 1.125 298 G CA 0.522 45.504 45.100 -0.197 0.000 0.755 298 G HN 0.237 nan 8.290 nan 0.000 0.565 299 R N 0.174 120.572 120.500 -0.170 0.000 2.070 299 R HA 0.017 4.364 4.340 0.011 0.000 0.227 299 R C 2.865 179.068 176.300 -0.162 0.000 1.147 299 R CA 1.052 57.075 56.100 -0.129 0.000 0.924 299 R CB -0.298 29.959 30.300 -0.073 0.000 0.827 299 R HN 0.259 nan 8.270 nan 0.000 0.431 300 R N 0.375 120.729 120.500 -0.244 0.000 2.120 300 R HA -0.063 4.284 4.340 0.011 0.000 0.234 300 R C 2.218 178.371 176.300 -0.244 0.000 1.123 300 R CA 0.843 56.791 56.100 -0.253 0.000 0.975 300 R CB -0.169 29.895 30.300 -0.392 0.000 0.866 300 R HN 0.277 nan 8.270 nan 0.000 0.446 301 L N -0.407 120.644 121.223 -0.286 0.000 2.209 301 L HA 0.082 4.429 4.340 0.011 0.000 0.207 301 L C 0.932 177.678 176.870 -0.206 0.000 1.094 301 L CA 1.312 55.999 54.840 -0.254 0.000 0.790 301 L CB -0.904 40.976 42.059 -0.299 0.000 0.932 301 L HN 0.490 nan 8.230 nan 0.000 0.447 302 G N 0.602 109.291 108.800 -0.186 0.000 2.452 302 G HA2 -0.234 3.733 3.960 0.011 0.000 0.275 302 G HA3 -0.234 3.733 3.960 0.011 0.000 0.275 302 G C 0.432 175.240 174.900 -0.153 0.000 1.131 302 G CA 0.146 45.160 45.100 -0.144 0.000 1.031 302 G HN 0.339 nan 8.290 nan 0.000 0.511 303 L N -0.152 120.974 121.223 -0.161 0.000 2.858 303 L HA 0.546 4.893 4.340 0.011 0.000 0.251 303 L C 1.476 178.306 176.870 -0.067 0.000 1.149 303 L CA 0.330 55.082 54.840 -0.146 0.000 0.955 303 L CB 0.252 42.173 42.059 -0.229 0.000 1.289 303 L HN 1.418 nan 8.230 nan 0.000 0.542 304 G N 0.108 108.865 108.800 -0.070 0.000 2.661 304 G HA2 -0.181 3.786 3.960 0.011 0.000 0.685 304 G HA3 -0.181 3.786 3.960 0.011 0.000 0.685 304 G C -0.380 174.490 174.900 -0.051 0.000 1.298 304 G CA -0.757 44.317 45.100 -0.044 0.000 0.855 304 G HN -0.093 nan 8.290 nan 0.000 0.560 305 T N 3.671 118.205 114.554 -0.034 0.000 2.919 305 T HA 0.560 4.917 4.350 0.011 0.000 0.302 305 T C -1.533 173.156 174.700 -0.018 0.000 1.031 305 T CA 0.136 62.215 62.100 -0.034 0.000 1.127 305 T CB 1.438 70.294 68.868 -0.020 0.000 0.952 305 T HN 0.662 nan 8.240 nan 0.000 0.540 306 P HA 0.553 nan 4.420 nan 0.000 0.282 306 P C -1.011 176.361 177.300 0.121 0.000 1.259 306 P CA -0.426 62.694 63.100 0.034 0.000 0.826 306 P CB 0.723 32.361 31.700 -0.103 0.000 1.064 307 E N 0.165 120.486 120.200 0.202 0.000 2.283 307 E HA 0.558 4.915 4.350 0.011 0.000 0.258 307 E C -0.255 176.424 176.600 0.131 0.000 0.893 307 E CA -0.982 55.507 56.400 0.148 0.000 0.798 307 E CB 1.111 30.859 29.700 0.080 0.000 1.242 307 E HN 0.689 nan 8.360 nan 0.000 0.414 308 A N 1.786 124.629 122.820 0.038 0.000 2.580 308 A HA 0.416 4.743 4.320 0.011 0.000 0.244 308 A C 0.678 178.213 177.584 -0.082 0.000 1.045 308 A CA 0.084 51.932 52.037 -0.315 0.000 0.761 308 A CB -0.226 18.445 19.000 -0.548 0.000 0.962 308 A HN 1.070 nan 8.150 nan 0.000 0.512 309 V N 4.431 124.269 119.914 -0.127 0.000 2.572 309 V HA 0.200 4.327 4.120 0.011 0.000 0.291 309 V C 0.940 177.128 176.094 0.157 0.000 1.039 309 V CA 0.136 62.449 62.300 0.021 0.000 1.055 309 V CB 0.747 32.556 31.823 -0.023 0.000 0.969 309 V HN 0.910 nan 8.190 nan 0.000 0.482 310 R N 3.187 123.754 120.500 0.112 0.000 2.445 310 R HA 0.730 5.077 4.340 0.011 0.000 0.308 310 R C -0.571 175.695 176.300 -0.056 0.000 0.961 310 R CA -0.298 55.803 56.100 0.002 0.000 0.862 310 R CB 1.506 31.775 30.300 -0.051 0.000 1.144 310 R HN 0.850 nan 8.270 nan 0.000 0.447 311 A N 3.382 126.137 122.820 -0.107 0.000 2.423 311 A HA 0.419 4.746 4.320 0.011 0.000 0.304 311 A C -1.227 176.242 177.584 -0.192 0.000 1.104 311 A CA -0.896 51.071 52.037 -0.117 0.000 0.757 311 A CB 1.634 20.579 19.000 -0.092 0.000 1.313 311 A HN 0.727 nan 8.150 nan 0.000 0.423 312 Q N 0.203 119.872 119.800 -0.219 0.000 2.327 312 Q HA 0.599 4.946 4.340 0.011 0.000 0.254 312 Q C -0.168 175.536 176.000 -0.493 0.000 0.952 312 Q CA 0.370 55.963 55.803 -0.350 0.000 0.884 312 Q CB 1.135 29.663 28.738 -0.350 0.000 1.224 312 Q HN 0.971 nan 8.270 nan 0.000 0.422 313 A N 2.056 124.523 122.820 -0.587 0.000 2.435 313 A HA 0.752 5.079 4.320 0.011 0.000 0.304 313 A C -1.708 175.500 177.584 -0.626 0.000 1.064 313 A CA -0.702 51.015 52.037 -0.533 0.000 0.727 313 A CB 1.027 19.852 19.000 -0.291 0.000 1.284 313 A HN 0.625 nan 8.150 nan 0.000 0.415 314 Y N 0.285 120.551 120.300 -0.057 0.000 2.361 314 Y HA 0.599 5.155 4.550 0.011 0.000 0.337 314 Y C 0.371 176.311 175.900 0.067 0.000 0.965 314 Y CA -0.693 57.434 58.100 0.045 0.000 1.091 314 Y CB 1.740 40.304 38.460 0.173 0.000 1.182 314 Y HN 0.828 nan 8.280 nan 0.000 0.450 315 R N 3.503 124.107 120.500 0.173 0.000 2.267 315 R HA 0.500 4.846 4.340 0.011 0.000 0.319 315 R C -1.459 174.919 176.300 0.130 0.000 1.067 315 R CA -0.112 56.045 56.100 0.096 0.000 0.936 315 R CB 0.135 30.471 30.300 0.059 0.000 1.006 315 R HN 0.771 nan 8.270 nan 0.000 0.452 316 L N 3.116 124.394 121.223 0.092 0.000 2.456 316 L HA 0.307 4.653 4.340 0.011 0.000 0.257 316 L C 0.440 177.483 176.870 0.289 0.000 1.162 316 L CA -0.821 54.133 54.840 0.190 0.000 0.808 316 L CB 1.286 43.455 42.059 0.183 0.000 1.136 316 L HN 0.865 nan 8.230 nan 0.000 0.466 317 S N 1.594 117.523 115.700 0.382 0.000 2.549 317 S HA 0.208 4.685 4.470 0.011 0.000 0.279 317 S C 0.061 174.873 174.600 0.353 0.000 1.321 317 S CA -0.804 57.592 58.200 0.327 0.000 1.054 317 S CB 0.847 64.231 63.200 0.308 0.000 0.899 317 S HN 0.488 nan 8.310 nan 0.000 0.497 318 I N 3.156 123.845 120.570 0.199 0.000 2.741 318 I HA 0.175 4.352 4.170 0.011 0.000 0.288 318 I C -2.206 173.816 176.117 -0.159 0.000 1.192 318 I CA -1.826 59.523 61.300 0.080 0.000 1.426 318 I CB 0.115 38.156 38.000 0.068 0.000 1.367 318 I HN 0.516 nan 8.210 nan 0.000 0.563 319 P HA 0.071 nan 4.420 nan 0.000 0.264 319 P C -0.685 176.402 177.300 -0.355 0.000 1.193 319 P CA 0.207 62.840 63.100 -0.778 0.000 0.763 319 P CB 0.098 31.214 31.700 -0.973 0.000 0.810 320 K N 4.004 124.260 120.400 -0.239 0.000 2.231 320 K HA 0.386 4.713 4.320 0.011 0.000 0.255 320 K C -0.141 176.396 176.600 -0.104 0.000 1.108 320 K CA -0.590 55.630 56.287 -0.111 0.000 0.997 320 K CB -0.833 31.640 32.500 -0.045 0.000 1.549 320 K HN 0.581 nan 8.250 nan 0.000 0.419 321 L N -0.381 120.772 121.223 -0.117 0.000 2.309 321 L HA 0.864 5.210 4.340 0.011 0.000 0.282 321 L C -0.138 176.700 176.870 -0.053 0.000 1.036 321 L CA -0.904 53.872 54.840 -0.106 0.000 0.806 321 L CB 1.381 43.358 42.059 -0.135 0.000 1.220 321 L HN 0.696 nan 8.230 nan 0.000 0.429 322 M N 1.192 120.760 119.600 -0.054 0.000 2.550 322 M HA 0.916 5.403 4.480 0.011 0.000 0.292 322 M C -0.195 176.138 176.300 0.054 0.000 1.221 322 M CA -0.426 54.879 55.300 0.008 0.000 0.873 322 M CB 1.861 34.488 32.600 0.044 0.000 1.727 322 M HN 0.683 nan 8.290 nan 0.000 0.459 323 G N 1.008 109.868 108.800 0.099 0.000 3.329 323 G HA2 0.356 4.323 3.960 0.011 0.000 0.180 323 G HA3 0.356 4.323 3.960 0.011 0.000 0.180 323 G C 0.524 175.542 174.900 0.197 0.000 1.640 323 G CA -0.490 44.712 45.100 0.171 0.000 1.018 323 G HN 0.786 nan 8.290 nan 0.000 0.581 324 R N 0.070 120.624 120.500 0.089 0.000 2.115 324 R HA 0.108 4.455 4.340 0.011 0.000 0.230 324 R C 1.583 177.904 176.300 0.035 0.000 1.111 324 R CA 1.329 57.447 56.100 0.031 0.000 0.976 324 R CB -0.158 30.114 30.300 -0.046 0.000 0.870 324 R HN 0.466 nan 8.270 nan 0.000 0.445 325 R N -0.107 120.409 120.500 0.027 0.000 2.960 325 R HA 0.671 5.018 4.340 0.011 0.000 0.249 325 R C -0.995 175.322 176.300 0.029 0.000 1.192 325 R CA -0.034 56.078 56.100 0.021 0.000 1.035 325 R CB 0.156 30.454 30.300 -0.002 0.000 1.234 325 R HN 0.209 nan 8.270 nan 0.000 0.493 326 A N 0.716 123.548 122.820 0.020 0.000 2.484 326 A HA 0.484 4.811 4.320 0.011 0.000 0.268 326 A C 0.324 177.915 177.584 0.012 0.000 1.114 326 A CA 0.232 52.279 52.037 0.016 0.000 0.780 326 A CB -0.432 18.576 19.000 0.013 0.000 1.061 326 A HN 1.529 nan 8.150 nan 0.000 0.505 327 V N 2.766 122.688 119.914 0.012 0.000 2.994 327 V HA 0.648 4.774 4.120 0.011 0.000 0.318 327 V C 1.018 177.124 176.094 0.020 0.000 1.085 327 V CA 0.378 62.685 62.300 0.012 0.000 0.998 327 V CB 2.117 33.946 31.823 0.009 0.000 1.063 327 V HN 1.061 nan 8.190 nan 0.000 0.447 328 S N 2.731 118.446 115.700 0.026 0.000 2.502 328 S HA 0.315 4.792 4.470 0.011 0.000 0.228 328 S C 0.413 175.058 174.600 0.074 0.000 1.061 328 S CA 0.570 58.800 58.200 0.049 0.000 0.935 328 S CB -0.052 63.173 63.200 0.041 0.000 0.809 328 S HN 0.852 nan 8.310 nan 0.000 0.510 329 K N -0.122 120.281 120.400 0.004 0.000 2.498 329 K HA 0.520 4.847 4.320 0.011 0.000 0.254 329 K C -2.854 173.666 176.600 -0.133 0.000 0.933 329 K CA -1.922 54.308 56.287 -0.095 0.000 0.806 329 K CB 1.576 33.953 32.500 -0.206 0.000 1.301 329 K HN -0.270 nan 8.250 nan 0.000 0.432 330 P HA -0.344 nan 4.420 nan 0.000 0.219 330 P C 1.106 178.276 177.300 -0.218 0.000 1.153 330 P CA 2.560 65.569 63.100 -0.152 0.000 0.865 330 P CB 0.065 31.656 31.700 -0.180 0.000 0.788 331 A N -0.522 122.051 122.820 -0.411 0.000 2.070 331 A HA -0.203 4.124 4.320 0.011 0.000 0.220 331 A C 1.757 179.252 177.584 -0.148 0.000 1.159 331 A CA 1.755 53.553 52.037 -0.399 0.000 0.656 331 A CB -1.176 17.339 19.000 -0.807 0.000 0.800 331 A HN 0.151 nan 8.150 nan 0.000 0.453 332 D N 0.140 120.480 120.400 -0.099 0.000 2.378 332 D HA 0.055 4.702 4.640 0.011 0.000 0.222 332 D C 1.673 177.957 176.300 -0.027 0.000 0.980 332 D CA 0.997 54.977 54.000 -0.033 0.000 0.907 332 D CB -0.102 40.688 40.800 -0.016 0.000 0.899 332 D HN 0.500 nan 8.370 nan 0.000 0.527 333 A N 0.034 122.841 122.820 -0.021 0.000 2.208 333 A HA 0.086 4.413 4.320 0.011 0.000 0.209 333 A C 2.105 179.666 177.584 -0.039 0.000 1.161 333 A CA 0.066 52.106 52.037 0.004 0.000 0.782 333 A CB -0.230 18.840 19.000 0.117 0.000 0.816 333 A HN 0.172 nan 8.150 nan 0.000 0.477 334 L N -1.444 119.778 121.223 -0.002 0.000 2.270 334 L HA -0.038 4.309 4.340 0.011 0.000 0.210 334 L C 3.169 180.025 176.870 -0.023 0.000 1.104 334 L CA 0.989 55.844 54.840 0.024 0.000 0.804 334 L CB -0.303 41.814 42.059 0.097 0.000 0.937 334 L HN 0.485 nan 8.230 nan 0.000 0.450 335 R N -0.385 120.103 120.500 -0.021 0.000 2.105 335 R HA 0.080 4.427 4.340 0.011 0.000 0.214 335 R C 1.866 178.129 176.300 -0.061 0.000 1.091 335 R CA 1.269 57.361 56.100 -0.014 0.000 1.007 335 R CB -1.181 29.130 30.300 0.019 0.000 0.912 335 R HN 0.151 nan 8.270 nan 0.000 0.450 336 V N -0.346 119.521 119.914 -0.079 0.000 3.052 336 V HA 0.381 4.508 4.120 0.011 0.000 0.254 336 V C 1.307 177.298 176.094 -0.172 0.000 1.100 336 V CA 0.887 63.131 62.300 -0.092 0.000 1.112 336 V CB -0.529 31.262 31.823 -0.054 0.000 0.738 336 V HN 1.140 nan 8.190 nan 0.000 0.469 337 G N 0.499 109.114 108.800 -0.308 0.000 2.555 337 G HA2 -0.027 3.940 3.960 0.011 0.000 0.686 337 G HA3 -0.027 3.940 3.960 0.011 0.000 0.686 337 G C -0.810 173.800 174.900 -0.484 0.000 1.275 337 G CA -0.490 44.262 45.100 -0.580 0.000 0.871 337 G HN 0.294 nan 8.290 nan 0.000 0.603 338 F N -1.463 118.433 119.950 -0.089 0.000 2.572 338 F HA 0.784 5.319 4.527 0.014 0.000 0.342 338 F C 1.265 177.058 175.800 -0.011 0.000 1.064 338 F CA -1.272 56.698 58.000 -0.050 0.000 1.008 338 F CB 0.121 39.070 39.000 -0.084 0.000 1.303 338 F HN 0.526 nan 8.300 nan 0.000 0.492 339 Y N 0.728 121.125 120.300 0.161 0.000 2.049 339 Y HA -0.018 4.539 4.550 0.011 0.000 0.277 339 Y C 1.181 177.103 175.900 0.037 0.000 1.143 339 Y CA 1.745 59.877 58.100 0.054 0.000 1.115 339 Y CB 0.113 38.579 38.460 0.010 0.000 0.975 339 Y HN 0.501 nan 8.280 nan 0.000 0.487 340 R N 1.041 121.589 120.500 0.080 0.000 2.371 340 R HA 0.580 4.927 4.340 0.011 0.000 0.312 340 R C -1.318 174.963 176.300 -0.032 0.000 0.980 340 R CA -0.256 55.818 56.100 -0.044 0.000 0.867 340 R CB 0.670 30.966 30.300 -0.006 0.000 1.163 340 R HN 0.268 nan 8.270 nan 0.000 0.492 341 A N 3.680 126.498 122.820 -0.004 0.000 2.282 341 A HA 0.550 4.877 4.320 0.011 0.000 0.319 341 A C -0.719 176.869 177.584 0.007 0.000 1.121 341 A CA -0.434 51.600 52.037 -0.005 0.000 0.836 341 A CB 1.233 20.275 19.000 0.069 0.000 1.146 341 A HN 0.798 nan 8.150 nan 0.000 0.494 342 Q N -0.435 119.392 119.800 0.045 0.000 2.590 342 Q HA 0.284 4.631 4.340 0.011 0.000 0.295 342 Q C -1.276 174.823 176.000 0.165 0.000 0.973 342 Q CA -0.940 54.911 55.803 0.080 0.000 0.768 342 Q CB 1.666 30.434 28.738 0.050 0.000 1.479 342 Q HN 0.763 nan 8.270 nan 0.000 0.419 343 E N 1.565 121.838 120.200 0.121 0.000 2.217 343 E HA 0.172 4.529 4.350 0.011 0.000 0.279 343 E C -1.329 175.340 176.600 0.115 0.000 1.068 343 E CA 0.511 56.982 56.400 0.119 0.000 0.882 343 E CB 0.558 30.298 29.700 0.066 0.000 1.039 343 E HN 0.546 nan 8.360 nan 0.000 0.418 344 T N 2.624 117.258 114.554 0.133 0.000 2.916 344 T HA 0.618 4.974 4.350 0.011 0.000 0.298 344 T C -0.974 173.738 174.700 0.021 0.000 1.031 344 T CA -0.639 61.521 62.100 0.100 0.000 0.993 344 T CB 1.636 70.607 68.868 0.172 0.000 1.045 344 T HN 0.470 nan 8.240 nan 0.000 0.454 345 A N 3.083 125.929 122.820 0.042 0.000 2.271 345 A HA 0.759 5.086 4.320 0.011 0.000 0.317 345 A C -0.974 176.659 177.584 0.082 0.000 1.245 345 A CA -0.529 51.543 52.037 0.058 0.000 0.857 345 A CB 0.087 19.171 19.000 0.139 0.000 1.175 345 A HN 0.576 nan 8.150 nan 0.000 0.512 346 L N 1.613 122.878 121.223 0.070 0.000 2.334 346 L HA 0.808 5.155 4.340 0.011 0.000 0.272 346 L C 0.603 177.604 176.870 0.218 0.000 1.020 346 L CA -0.069 54.851 54.840 0.132 0.000 0.812 346 L CB 1.562 43.705 42.059 0.141 0.000 1.264 346 L HN 0.796 nan 8.230 nan 0.000 0.439 347 A N 1.969 124.911 122.820 0.204 0.000 2.356 347 A HA 0.835 5.162 4.320 0.011 0.000 0.323 347 A C -1.320 176.340 177.584 0.126 0.000 1.119 347 A CA -0.499 51.651 52.037 0.189 0.000 0.790 347 A CB 1.404 20.446 19.000 0.070 0.000 1.273 347 A HN 0.573 nan 8.150 nan 0.000 0.452 348 L N 1.069 122.290 121.223 -0.004 0.000 2.325 348 L HA 0.721 5.068 4.340 0.011 0.000 0.278 348 L C -0.921 175.803 176.870 -0.244 0.000 1.023 348 L CA -0.461 54.172 54.840 -0.345 0.000 0.811 348 L CB 1.488 43.016 42.059 -0.885 0.000 1.249 348 L HN 0.639 nan 8.230 nan 0.000 0.431 349 L N 4.764 125.848 121.223 -0.232 0.000 2.481 349 L HA 0.482 4.829 4.340 0.011 0.000 0.255 349 L C -0.696 176.087 176.870 -0.145 0.000 1.192 349 L CA -0.696 54.066 54.840 -0.130 0.000 0.924 349 L CB 0.624 42.657 42.059 -0.042 0.000 1.179 349 L HN 0.692 nan 8.230 nan 0.000 0.491 350 R N 3.057 123.461 120.500 -0.159 0.000 2.441 350 R HA 0.160 4.507 4.340 0.011 0.000 0.300 350 R C 0.395 176.644 176.300 -0.085 0.000 1.284 350 R CA -0.328 55.694 56.100 -0.131 0.000 1.069 350 R CB 0.095 30.322 30.300 -0.123 0.000 1.087 350 R HN 0.593 nan 8.270 nan 0.000 0.519 351 L N -0.108 121.053 121.223 -0.103 0.000 2.851 351 L HA 0.565 4.912 4.340 0.011 0.000 0.237 351 L C -0.906 175.896 176.870 -0.113 0.000 1.257 351 L CA -0.242 54.509 54.840 -0.150 0.000 1.061 351 L CB -0.055 41.861 42.059 -0.238 0.000 1.372 351 L HN 0.362 nan 8.230 nan 0.000 0.493 352 D N -0.961 119.410 120.400 -0.048 0.000 2.198 352 D HA 0.514 5.161 4.640 0.011 0.000 0.147 352 D C -0.080 176.217 176.300 -0.007 0.000 1.149 352 D CA 0.753 54.747 54.000 -0.011 0.000 1.107 352 D CB 0.443 41.234 40.800 -0.016 0.000 2.198 352 D HN 0.489 nan 8.370 nan 0.000 0.584 353 G N 1.025 109.830 108.800 0.008 0.000 2.439 353 G HA2 0.496 4.463 3.960 0.011 0.000 0.186 353 G HA3 0.496 4.463 3.960 0.011 0.000 0.186 353 G C 0.143 175.051 174.900 0.014 0.000 1.260 353 G CA 0.173 45.277 45.100 0.006 0.000 1.020 353 G HN 0.724 nan 8.290 nan 0.000 0.470 354 A N -2.236 120.590 122.820 0.010 0.000 1.941 354 A HA 0.861 5.187 4.320 0.011 0.000 0.214 354 A C 1.231 178.829 177.584 0.023 0.000 1.368 354 A CA 3.088 55.135 52.037 0.018 0.000 0.651 354 A CB -0.662 18.349 19.000 0.018 0.000 1.064 354 A HN 2.848 nan 8.150 nan 0.000 0.492 355 Q N -2.692 117.116 119.800 0.013 0.000 3.168 355 Q HA 0.531 4.878 4.340 0.011 0.000 0.172 355 Q C 0.554 176.565 176.000 0.018 0.000 0.994 355 Q CA 0.087 55.902 55.803 0.019 0.000 1.054 355 Q CB -1.773 27.007 28.738 0.070 0.000 2.158 355 Q HN 2.670 nan 8.270 nan 0.000 0.603 356 G N -0.796 108.005 108.800 0.003 0.000 2.742 356 G HA2 0.335 4.302 3.960 0.011 0.000 0.686 356 G HA3 0.335 4.302 3.960 0.011 0.000 0.686 356 G C -0.610 174.296 174.900 0.009 0.000 1.220 356 G CA -0.076 45.053 45.100 0.048 0.000 0.783 356 G HN 1.807 nan 8.290 nan 0.000 0.646 357 W N 2.061 123.333 121.300 -0.047 0.000 2.303 357 W HA 0.488 5.155 4.660 0.011 0.000 0.318 357 W C -1.554 174.894 176.519 -0.119 0.000 1.362 357 W CA -1.055 56.233 57.345 -0.095 0.000 1.234 357 W CB 0.788 30.183 29.460 -0.108 0.000 1.248 357 W HN 0.438 nan 8.180 nan 0.000 0.546 358 P HA -0.078 nan 4.420 nan 0.000 0.262 358 P C 0.352 177.605 177.300 -0.078 0.000 1.199 358 P CA 0.408 63.480 63.100 -0.046 0.000 0.763 358 P CB 0.754 32.278 31.700 -0.293 0.000 0.790 359 E N 2.990 123.245 120.200 0.092 0.000 2.181 359 E HA -0.321 4.035 4.350 0.011 0.000 0.225 359 E C 1.408 178.040 176.600 0.054 0.000 1.073 359 E CA 2.241 58.701 56.400 0.100 0.000 0.916 359 E CB -1.163 28.628 29.700 0.151 0.000 0.793 359 E HN 0.656 nan 8.360 nan 0.000 0.472 360 F N 0.337 120.201 119.950 -0.144 0.000 2.186 360 F HA 0.027 4.561 4.527 0.011 0.000 0.299 360 F C 1.964 177.591 175.800 -0.289 0.000 1.090 360 F CA 0.805 58.658 58.000 -0.245 0.000 1.307 360 F CB -0.954 37.799 39.000 -0.411 0.000 1.019 360 F HN -0.076 nan 8.300 nan 0.000 0.489 361 L N 0.312 120.932 121.223 -1.005 0.000 1.976 361 L HA -0.147 4.200 4.340 0.011 0.000 0.209 361 L C 2.917 179.635 176.870 -0.253 0.000 1.071 361 L CA 1.838 56.339 54.840 -0.566 0.000 0.746 361 L CB -0.731 41.090 42.059 -0.398 0.000 0.890 361 L HN 0.118 nan 8.230 nan 0.000 0.432 362 R N 0.088 120.447 120.500 -0.235 0.000 2.139 362 R HA -0.232 4.115 4.340 0.011 0.000 0.243 362 R C 2.428 178.595 176.300 -0.222 0.000 1.145 362 R CA 1.648 57.542 56.100 -0.343 0.000 0.976 362 R CB -0.139 30.015 30.300 -0.244 0.000 0.866 362 R HN 0.218 nan 8.270 nan 0.000 0.449 363 R N -0.471 119.953 120.500 -0.127 0.000 2.055 363 R HA -0.024 4.323 4.340 0.011 0.000 0.226 363 R C 2.165 178.463 176.300 -0.003 0.000 1.135 363 R CA 1.305 57.376 56.100 -0.048 0.000 0.959 363 R CB -0.300 30.006 30.300 0.009 0.000 0.854 363 R HN 0.282 nan 8.270 nan 0.000 0.431 364 A N 1.546 124.384 122.820 0.031 0.000 1.908 364 A HA -0.160 4.166 4.320 0.011 0.000 0.218 364 A C 2.063 179.730 177.584 0.138 0.000 1.181 364 A CA 1.087 53.217 52.037 0.155 0.000 0.627 364 A CB -0.590 18.602 19.000 0.320 0.000 0.818 364 A HN 0.264 nan 8.150 nan 0.000 0.445 365 L N -0.498 120.758 121.223 0.055 0.000 1.956 365 L HA -0.183 4.164 4.340 0.011 0.000 0.216 365 L C 2.629 179.567 176.870 0.113 0.000 1.073 365 L CA 1.604 56.487 54.840 0.071 0.000 0.762 365 L CB -1.463 40.486 42.059 -0.184 0.000 0.889 365 L HN 0.297 nan 8.230 nan 0.000 0.433 366 L N -0.413 120.789 121.223 -0.036 0.000 2.043 366 L HA -0.247 4.100 4.340 0.011 0.000 0.212 366 L C 2.736 179.648 176.870 0.070 0.000 1.075 366 L CA 1.583 56.414 54.840 -0.014 0.000 0.752 366 L CB -1.137 40.877 42.059 -0.075 0.000 0.891 366 L HN 0.407 nan 8.230 nan 0.000 0.432 367 R N -0.374 120.160 120.500 0.057 0.000 2.119 367 R HA -0.225 4.122 4.340 0.011 0.000 0.246 367 R C 2.196 178.514 176.300 0.029 0.000 1.146 367 R CA 1.940 58.071 56.100 0.051 0.000 0.962 367 R CB -0.070 30.276 30.300 0.076 0.000 0.863 367 R HN 0.389 nan 8.270 nan 0.000 0.442 368 A N -0.439 122.423 122.820 0.070 0.000 1.874 368 A HA -0.040 4.287 4.320 0.011 0.000 0.214 368 A C 1.861 179.311 177.584 -0.224 0.000 1.189 368 A CA 0.809 52.780 52.037 -0.110 0.000 0.615 368 A CB -0.502 18.504 19.000 0.010 0.000 0.830 368 A HN 0.347 nan 8.150 nan 0.000 0.443 369 F N 0.730 120.636 119.950 -0.073 0.000 2.365 369 F HA 0.032 4.565 4.527 0.010 0.000 0.300 369 F C 2.484 178.244 175.800 -0.067 0.000 1.090 369 F CA 0.703 58.694 58.000 -0.015 0.000 1.408 369 F CB -0.641 38.390 39.000 0.052 0.000 1.060 369 F HN 0.277 nan 8.300 nan 0.000 0.534 370 G N -0.431 108.425 108.800 0.092 0.000 2.404 370 G HA2 -0.147 3.820 3.960 0.011 0.000 0.214 370 G HA3 -0.147 3.820 3.960 0.011 0.000 0.214 370 G C 1.891 176.765 174.900 -0.043 0.000 1.189 370 G CA 0.632 45.746 45.100 0.025 0.000 0.789 370 G HN 0.386 nan 8.290 nan 0.000 0.533 371 A N 0.099 122.857 122.820 -0.103 0.000 2.178 371 A HA 0.109 4.436 4.320 0.011 0.000 0.218 371 A C 2.432 179.894 177.584 -0.204 0.000 1.157 371 A CA 2.199 54.146 52.037 -0.150 0.000 0.689 371 A CB -0.322 18.565 19.000 -0.187 0.000 0.787 371 A HN 0.413 nan 8.150 nan 0.000 0.465 372 S N -1.903 113.653 115.700 -0.240 0.000 2.502 372 S HA 0.372 4.849 4.470 0.011 0.000 0.228 372 S C 1.184 175.742 174.600 -0.070 0.000 1.061 372 S CA 1.290 59.359 58.200 -0.219 0.000 0.935 372 S CB -0.091 62.908 63.200 -0.335 0.000 0.809 372 S HN 1.828 nan 8.310 nan 0.000 0.510 373 G N 1.041 109.831 108.800 -0.017 0.000 2.325 373 G HA2 0.128 4.095 3.960 0.011 0.000 0.248 373 G HA3 0.128 4.095 3.960 0.011 0.000 0.248 373 G C -0.129 174.811 174.900 0.068 0.000 1.108 373 G CA 0.143 45.256 45.100 0.021 0.000 0.881 373 G HN 1.018 nan 8.290 nan 0.000 0.494 374 A N -0.576 122.337 122.820 0.154 0.000 2.479 374 A HA 0.938 5.264 4.320 0.011 0.000 0.296 374 A C 0.338 178.060 177.584 0.231 0.000 1.121 374 A CA 0.147 52.313 52.037 0.214 0.000 0.743 374 A CB 1.299 20.479 19.000 0.301 0.000 1.323 374 A HN 1.241 nan 8.150 nan 0.000 0.415 375 S N 0.307 116.099 115.700 0.152 0.000 2.474 375 S HA 0.465 4.942 4.470 0.011 0.000 0.276 375 S C -0.550 174.032 174.600 -0.031 0.000 1.227 375 S CA -0.158 58.072 58.200 0.050 0.000 1.050 375 S CB 0.398 63.612 63.200 0.025 0.000 0.939 375 S HN 0.714 nan 8.310 nan 0.000 0.490 376 L N 4.430 125.533 121.223 -0.200 0.000 2.341 376 L HA 0.596 4.943 4.340 0.011 0.000 0.278 376 L C -0.682 175.992 176.870 -0.326 0.000 1.005 376 L CA -0.365 54.199 54.840 -0.461 0.000 0.818 376 L CB 1.213 42.739 42.059 -0.888 0.000 1.259 376 L HN 0.581 nan 8.230 nan 0.000 0.418 377 R N 6.045 126.372 120.500 -0.288 0.000 2.435 377 R HA 0.541 4.888 4.340 0.011 0.000 0.308 377 R C -1.436 174.684 176.300 -0.299 0.000 0.975 377 R CA -0.626 55.310 56.100 -0.272 0.000 0.867 377 R CB 1.387 31.583 30.300 -0.173 0.000 1.171 377 R HN 0.588 nan 8.270 nan 0.000 0.470 378 L N 4.590 125.586 121.223 -0.378 0.000 2.255 378 L HA 0.385 4.732 4.340 0.011 0.000 0.289 378 L C 0.511 177.251 176.870 -0.216 0.000 1.046 378 L CA -0.537 54.114 54.840 -0.316 0.000 0.816 378 L CB 0.367 42.042 42.059 -0.640 0.000 1.197 378 L HN 0.495 nan 8.230 nan 0.000 0.427 379 H N 1.618 120.734 119.070 0.076 0.000 2.645 379 H HA 0.562 5.125 4.556 0.011 0.000 0.308 379 H C -0.516 174.906 175.328 0.156 0.000 1.495 379 H CA -0.426 55.673 56.048 0.085 0.000 1.518 379 H CB 1.992 31.771 29.762 0.029 0.000 1.752 379 H HN 0.380 nan 8.280 nan 0.000 0.797 380 T N 1.288 115.939 114.554 0.162 0.000 2.952 380 T HA 0.293 4.650 4.350 0.011 0.000 0.305 380 T C -0.480 174.037 174.700 -0.305 0.000 1.064 380 T CA -0.678 61.365 62.100 -0.096 0.000 1.008 380 T CB 1.665 70.416 68.868 -0.194 0.000 1.078 380 T HN 0.237 nan 8.240 nan 0.000 0.459 381 L N 3.468 124.519 121.223 -0.287 0.000 2.277 381 L HA 0.438 4.784 4.340 0.011 0.000 0.284 381 L C -0.697 176.064 176.870 -0.181 0.000 1.028 381 L CA -0.592 54.127 54.840 -0.201 0.000 0.835 381 L CB 0.158 42.168 42.059 -0.082 0.000 1.215 381 L HN 0.780 nan 8.230 nan 0.000 0.425 382 H N 4.671 123.782 119.070 0.067 0.000 2.741 382 H HA 0.683 5.246 4.556 0.012 0.000 0.261 382 H C 0.053 175.456 175.328 0.126 0.000 1.365 382 H CA 0.023 56.119 56.048 0.081 0.000 1.266 382 H CB 0.669 30.467 29.762 0.061 0.000 1.485 382 H HN 0.742 nan 8.280 nan 0.000 0.529 383 A N 1.646 124.638 122.820 0.285 0.000 3.201 383 A HA 0.633 4.960 4.320 0.011 0.000 0.303 383 A C -1.385 176.395 177.584 0.328 0.000 1.173 383 A CA -0.515 51.745 52.037 0.373 0.000 0.621 383 A CB 1.806 21.165 19.000 0.597 0.000 1.468 383 A HN 0.572 nan 8.150 nan 0.000 0.632 384 H N -2.881 116.208 119.070 0.031 0.000 2.938 384 H HA 0.407 4.970 4.556 0.012 0.000 0.273 384 H C -2.531 172.355 175.328 -0.737 0.000 1.380 384 H CA 0.443 56.267 56.048 -0.373 0.000 1.314 384 H CB 1.208 30.886 29.762 -0.140 0.000 1.880 384 H HN 0.539 nan 8.280 nan 0.000 0.489 385 P HA -0.070 nan 4.420 nan 0.000 0.218 385 P C 1.309 178.585 177.300 -0.040 0.000 1.149 385 P CA 3.173 66.056 63.100 -0.362 0.000 0.817 385 P CB -0.108 31.446 31.700 -0.243 0.000 0.785 386 S N 0.394 116.202 115.700 0.180 0.000 2.404 386 S HA -0.239 4.238 4.470 0.011 0.000 0.216 386 S C 1.585 176.182 174.600 -0.006 0.000 1.039 386 S CA 1.680 59.875 58.200 -0.008 0.000 1.062 386 S CB -1.365 61.691 63.200 -0.241 0.000 1.046 386 S HN 0.510 nan 8.310 nan 0.000 0.415 387 Q N 1.987 121.789 119.800 0.003 0.000 2.871 387 Q HA 0.264 4.611 4.340 0.011 0.000 0.218 387 Q C 1.493 177.568 176.000 0.124 0.000 1.204 387 Q CA -0.079 55.756 55.803 0.053 0.000 0.922 387 Q CB -0.848 27.931 28.738 0.069 0.000 1.751 387 Q HN 0.663 nan 8.270 nan 0.000 0.476 388 G N 1.325 110.185 108.800 0.099 0.000 2.586 388 G HA2 -0.304 3.663 3.960 0.011 0.000 0.218 388 G HA3 -0.304 3.663 3.960 0.011 0.000 0.218 388 G C 1.198 176.204 174.900 0.177 0.000 1.216 388 G CA 0.608 45.803 45.100 0.158 0.000 0.786 388 G HN 0.497 nan 8.290 nan 0.000 0.583 389 L N 0.671 121.957 121.223 0.104 0.000 2.089 389 L HA -0.195 4.151 4.340 0.011 0.000 0.213 389 L C 3.339 180.257 176.870 0.081 0.000 1.079 389 L CA 1.372 56.257 54.840 0.076 0.000 0.758 389 L CB -0.324 41.764 42.059 0.048 0.000 0.891 389 L HN 0.368 nan 8.230 nan 0.000 0.433 390 A N -1.288 121.595 122.820 0.105 0.000 2.021 390 A HA -0.147 4.180 4.320 0.011 0.000 0.216 390 A C 2.047 179.720 177.584 0.147 0.000 1.163 390 A CA 0.469 52.567 52.037 0.101 0.000 0.676 390 A CB -0.515 18.544 19.000 0.097 0.000 0.818 390 A HN 0.352 nan 8.150 nan 0.000 0.453 391 F N 1.060 121.027 119.950 0.028 0.000 2.102 391 F HA -0.122 4.410 4.527 0.009 0.000 0.298 391 F C 2.223 178.029 175.800 0.009 0.000 1.105 391 F CA 1.748 59.764 58.000 0.027 0.000 1.239 391 F CB -0.312 38.707 39.000 0.032 0.000 0.991 391 F HN 0.120 nan 8.300 nan 0.000 0.474 392 R N 0.068 120.556 120.500 -0.020 0.000 2.115 392 R HA -0.130 4.217 4.340 0.011 0.000 0.230 392 R C 2.287 178.522 176.300 -0.107 0.000 1.111 392 R CA 1.339 57.365 56.100 -0.123 0.000 0.976 392 R CB -0.485 29.803 30.300 -0.020 0.000 0.870 392 R HN 0.418 nan 8.270 nan 0.000 0.445 393 E N 0.264 120.440 120.200 -0.041 0.000 2.110 393 E HA -0.184 4.172 4.350 0.011 0.000 0.193 393 E C 1.750 178.314 176.600 -0.059 0.000 0.988 393 E CA 1.161 57.541 56.400 -0.033 0.000 0.804 393 E CB 0.019 29.721 29.700 0.003 0.000 0.745 393 E HN 0.395 nan 8.360 nan 0.000 0.458 394 A N 0.823 123.597 122.820 -0.075 0.000 1.897 394 A HA -0.090 4.237 4.320 0.011 0.000 0.215 394 A C 2.157 179.642 177.584 -0.164 0.000 1.181 394 A CA 0.836 52.820 52.037 -0.089 0.000 0.620 394 A CB -0.518 18.453 19.000 -0.049 0.000 0.821 394 A HN 0.259 nan 8.150 nan 0.000 0.443 395 L N -0.254 120.803 121.223 -0.275 0.000 2.017 395 L HA -0.221 4.126 4.340 0.011 0.000 0.208 395 L C 2.815 179.581 176.870 -0.173 0.000 1.073 395 L CA 1.920 56.592 54.840 -0.279 0.000 0.745 395 L CB -0.611 41.216 42.059 -0.386 0.000 0.894 395 L HN 0.593 nan 8.230 nan 0.000 0.432 396 R N 0.766 121.180 120.500 -0.142 0.000 2.120 396 R HA -0.206 4.141 4.340 0.011 0.000 0.234 396 R C 2.171 178.420 176.300 -0.086 0.000 1.123 396 R CA 1.671 57.712 56.100 -0.098 0.000 0.975 396 R CB -0.349 29.906 30.300 -0.074 0.000 0.866 396 R HN 0.278 nan 8.270 nan 0.000 0.446 397 K N 0.588 120.936 120.400 -0.087 0.000 2.005 397 K HA -0.004 4.323 4.320 0.011 0.000 0.206 397 K C 2.221 178.758 176.600 -0.106 0.000 1.044 397 K CA 1.111 57.351 56.287 -0.078 0.000 0.942 397 K CB -0.293 32.171 32.500 -0.061 0.000 0.727 397 K HN 0.230 nan 8.250 nan 0.000 0.439 398 A N 2.611 125.355 122.820 -0.128 0.000 1.892 398 A HA -0.278 4.049 4.320 0.011 0.000 0.218 398 A C 2.031 179.521 177.584 -0.156 0.000 1.188 398 A CA 2.499 54.434 52.037 -0.170 0.000 0.631 398 A CB -0.753 18.154 19.000 -0.155 0.000 0.822 398 A HN 0.612 nan 8.150 nan 0.000 0.447 399 K N -0.162 120.167 120.400 -0.118 0.000 2.097 399 K HA -0.159 4.168 4.320 0.011 0.000 0.206 399 K C 1.814 178.367 176.600 -0.078 0.000 1.049 399 K CA 1.699 57.933 56.287 -0.088 0.000 0.933 399 K CB -0.351 32.104 32.500 -0.076 0.000 0.717 399 K HN 0.546 nan 8.250 nan 0.000 0.442 400 E N 1.192 121.344 120.200 -0.080 0.000 2.333 400 E HA -0.172 4.184 4.350 0.011 0.000 0.198 400 E C 0.839 177.398 176.600 -0.068 0.000 1.007 400 E CA 0.928 57.290 56.400 -0.064 0.000 0.845 400 E CB 0.124 29.789 29.700 -0.058 0.000 0.766 400 E HN 0.531 nan 8.360 nan 0.000 0.507 401 E N -1.135 119.001 120.200 -0.106 0.000 2.476 401 E HA 0.073 4.430 4.350 0.011 0.000 0.191 401 E C 0.915 177.469 176.600 -0.076 0.000 1.064 401 E CA 0.317 56.645 56.400 -0.120 0.000 0.866 401 E CB 0.579 30.124 29.700 -0.258 0.000 0.952 401 E HN 0.435 nan 8.360 nan 0.000 0.492 402 G N 0.934 109.702 108.800 -0.053 0.000 2.179 402 G HA2 -0.263 3.704 3.960 0.011 0.000 0.220 402 G HA3 -0.263 3.704 3.960 0.011 0.000 0.220 402 G C 0.455 175.357 174.900 0.002 0.000 0.990 402 G CA -0.054 45.039 45.100 -0.012 0.000 0.646 402 G HN 0.165 nan 8.290 nan 0.000 0.517 403 V N 1.185 121.084 119.914 -0.025 0.000 2.617 403 V HA 0.171 4.297 4.120 0.011 0.000 0.304 403 V C 1.333 177.435 176.094 0.012 0.000 1.040 403 V CA 1.641 63.946 62.300 0.008 0.000 1.149 403 V CB 1.331 33.135 31.823 -0.030 0.000 0.914 403 V HN 0.572 nan 8.190 nan 0.000 0.487 404 Q N 3.032 122.854 119.800 0.038 0.000 2.214 404 Q HA 0.554 4.901 4.340 0.011 0.000 0.229 404 Q C 0.197 176.224 176.000 0.046 0.000 0.835 404 Q CA 0.380 56.207 55.803 0.039 0.000 0.953 404 Q CB 1.418 30.186 28.738 0.051 0.000 1.131 404 Q HN 0.862 nan 8.270 nan 0.000 0.501 405 A N 0.346 123.198 122.820 0.052 0.000 2.594 405 A HA 0.606 4.933 4.320 0.011 0.000 0.296 405 A C -1.474 176.146 177.584 0.059 0.000 1.061 405 A CA -0.478 51.593 52.037 0.055 0.000 0.689 405 A CB 1.679 20.720 19.000 0.068 0.000 1.280 405 A HN -0.022 nan 8.150 nan 0.000 0.406 406 V N 2.149 122.088 119.914 0.042 0.000 2.444 406 V HA 0.450 4.577 4.120 0.011 0.000 0.294 406 V C -0.708 175.401 176.094 0.024 0.000 1.022 406 V CA -0.399 61.919 62.300 0.030 0.000 0.850 406 V CB 1.404 33.228 31.823 0.001 0.000 0.992 406 V HN 0.842 nan 8.190 nan 0.000 0.426 407 L N 7.681 128.913 121.223 0.015 0.000 2.282 407 L HA 0.470 4.817 4.340 0.011 0.000 0.287 407 L C -0.155 176.663 176.870 -0.088 0.000 1.075 407 L CA 0.285 55.115 54.840 -0.015 0.000 0.839 407 L CB 1.015 43.075 42.059 0.000 0.000 1.219 407 L HN 0.469 nan 8.230 nan 0.000 0.434 408 V N 6.671 126.554 119.914 -0.052 0.000 2.405 408 V HA 0.158 4.284 4.120 0.011 0.000 0.264 408 V C 0.482 176.532 176.094 -0.073 0.000 1.048 408 V CA -0.295 61.966 62.300 -0.065 0.000 0.966 408 V CB 0.767 32.570 31.823 -0.033 0.000 1.015 408 V HN 0.584 nan 8.190 nan 0.000 0.477 409 L N 6.241 127.396 121.223 -0.112 0.000 2.315 409 L HA 0.474 4.821 4.340 0.011 0.000 0.278 409 L C 0.479 177.307 176.870 -0.069 0.000 1.088 409 L CA 0.301 55.084 54.840 -0.095 0.000 0.899 409 L CB 0.796 42.763 42.059 -0.154 0.000 1.277 409 L HN 0.919 nan 8.230 nan 0.000 0.431 410 T N 1.413 115.942 114.554 -0.042 0.000 2.906 410 T HA 0.636 4.993 4.350 0.011 0.000 0.295 410 T C -2.813 171.880 174.700 -0.011 0.000 1.061 410 T CA -2.226 59.851 62.100 -0.037 0.000 1.000 410 T CB 2.374 71.212 68.868 -0.050 0.000 1.103 410 T HN 0.002 nan 8.240 nan 0.000 0.486 411 P HA 0.289 nan 4.420 nan 0.000 0.271 411 P C -2.578 174.730 177.300 0.014 0.000 1.233 411 P CA -1.197 61.908 63.100 0.010 0.000 0.789 411 P CB -0.574 31.132 31.700 0.009 0.000 0.951 412 P HA -0.043 nan 4.420 nan 0.000 0.242 412 P C -0.053 177.266 177.300 0.031 0.000 1.116 412 P CA 1.173 64.293 63.100 0.034 0.000 0.954 412 P CB -0.436 31.289 31.700 0.041 0.000 0.908 413 M N 2.238 121.852 119.600 0.024 0.000 2.207 413 M HA 0.270 4.757 4.480 0.011 0.000 0.311 413 M C 0.819 177.150 176.300 0.052 0.000 1.127 413 M CA -0.060 55.252 55.300 0.021 0.000 1.181 413 M CB 0.530 33.127 32.600 -0.003 0.000 1.409 413 M HN 0.195 nan 8.290 nan 0.000 0.461 414 A N 1.505 124.361 122.820 0.060 0.000 2.301 414 A HA 0.134 4.461 4.320 0.011 0.000 0.298 414 A C 0.604 178.283 177.584 0.158 0.000 1.185 414 A CA -0.690 51.413 52.037 0.110 0.000 0.830 414 A CB 0.118 19.173 19.000 0.092 0.000 1.112 414 A HN 1.098 nan 8.150 nan 0.000 0.508 415 W N 2.444 123.753 121.300 0.015 0.000 2.287 415 W HA -0.331 4.324 4.660 -0.009 0.000 0.341 415 W C 1.316 177.846 176.519 0.018 0.000 1.361 415 W CA 2.762 60.118 57.345 0.019 0.000 1.241 415 W CB -0.804 28.668 29.460 0.020 0.000 1.120 415 W HN 0.982 nan 8.180 nan 0.000 0.468 416 E N -0.397 120.098 120.200 0.492 0.000 2.164 416 E HA -0.286 4.071 4.350 0.011 0.000 0.206 416 E C 1.705 178.359 176.600 0.090 0.000 1.032 416 E CA 2.170 58.752 56.400 0.303 0.000 0.832 416 E CB -0.467 29.371 29.700 0.230 0.000 0.742 416 E HN 0.319 nan 8.360 nan 0.000 0.460 417 D N -0.941 119.492 120.400 0.056 0.000 2.355 417 D HA -0.053 4.594 4.640 0.011 0.000 0.218 417 D C 1.772 178.047 176.300 -0.040 0.000 1.004 417 D CA 0.161 54.164 54.000 0.005 0.000 0.880 417 D CB 0.102 40.906 40.800 0.007 0.000 0.911 417 D HN 0.105 nan 8.370 nan 0.000 0.528 418 R N 1.016 121.466 120.500 -0.084 0.000 2.075 418 R HA -0.069 4.278 4.340 0.011 0.000 0.226 418 R C 1.415 177.621 176.300 -0.157 0.000 1.114 418 R CA 0.905 56.925 56.100 -0.133 0.000 0.972 418 R CB 0.128 30.306 30.300 -0.203 0.000 0.869 418 R HN 0.061 nan 8.270 nan 0.000 0.437 419 N N 0.575 119.144 118.700 -0.218 0.000 2.106 419 N HA -0.177 4.570 4.740 0.011 0.000 0.188 419 N C 1.822 177.289 175.510 -0.070 0.000 1.029 419 N CA 1.251 54.199 53.050 -0.170 0.000 0.848 419 N CB -0.365 38.012 38.487 -0.183 0.000 1.007 419 N HN 0.195 nan 8.380 nan 0.000 0.423 420 R N 0.922 121.397 120.500 -0.041 0.000 2.094 420 R HA -0.170 4.177 4.340 0.011 0.000 0.239 420 R C 1.933 178.233 176.300 -0.000 0.000 1.137 420 R CA 1.403 57.499 56.100 -0.007 0.000 0.943 420 R CB -0.716 29.586 30.300 0.004 0.000 0.850 420 R HN 0.256 nan 8.270 nan 0.000 0.433 421 L N 1.533 122.748 121.223 -0.012 0.000 1.994 421 L HA -0.146 4.201 4.340 0.011 0.000 0.208 421 L C 2.199 179.084 176.870 0.025 0.000 1.071 421 L CA 1.972 56.819 54.840 0.012 0.000 0.745 421 L CB -0.466 41.583 42.059 -0.018 0.000 0.892 421 L HN 0.152 nan 8.230 nan 0.000 0.431 422 K N -0.600 119.793 120.400 -0.010 0.000 2.032 422 K HA -0.154 4.173 4.320 0.011 0.000 0.209 422 K C 2.090 178.682 176.600 -0.014 0.000 1.048 422 K CA 1.427 57.707 56.287 -0.010 0.000 0.927 422 K CB -0.476 32.008 32.500 -0.026 0.000 0.712 422 K HN 0.501 nan 8.250 nan 0.000 0.441 423 A N 1.616 124.425 122.820 -0.019 0.000 1.892 423 A HA -0.202 4.125 4.320 0.011 0.000 0.218 423 A C 2.118 179.694 177.584 -0.014 0.000 1.188 423 A CA 1.494 53.517 52.037 -0.023 0.000 0.631 423 A CB -0.655 18.337 19.000 -0.013 0.000 0.822 423 A HN 0.273 nan 8.150 nan 0.000 0.447 424 L N -0.363 120.871 121.223 0.019 0.000 2.046 424 L HA -0.095 4.252 4.340 0.011 0.000 0.208 424 L C 2.260 179.135 176.870 0.007 0.000 1.077 424 L CA 1.650 56.514 54.840 0.040 0.000 0.747 424 L CB -0.566 41.566 42.059 0.121 0.000 0.896 424 L HN 0.410 nan 8.230 nan 0.000 0.432 425 L N -1.618 119.611 121.223 0.010 0.000 2.056 425 L HA -0.199 4.148 4.340 0.011 0.000 0.207 425 L C 2.436 179.273 176.870 -0.056 0.000 1.078 425 L CA 0.583 55.405 54.840 -0.030 0.000 0.749 425 L CB -0.640 41.417 42.059 -0.004 0.000 0.901 425 L HN 0.310 nan 8.230 nan 0.000 0.433 426 L N 0.248 121.433 121.223 -0.063 0.000 1.970 426 L HA -0.217 4.130 4.340 0.011 0.000 0.212 426 L C 2.749 179.558 176.870 -0.101 0.000 1.071 426 L CA 1.804 56.578 54.840 -0.110 0.000 0.751 426 L CB -0.963 40.997 42.059 -0.164 0.000 0.889 426 L HN 0.177 nan 8.230 nan 0.000 0.432 427 R N -0.261 120.192 120.500 -0.079 0.000 2.134 427 R HA -0.186 4.161 4.340 0.011 0.000 0.248 427 R C 1.109 177.373 176.300 -0.060 0.000 1.143 427 R CA 1.586 57.648 56.100 -0.063 0.000 0.957 427 R CB -0.320 29.955 30.300 -0.042 0.000 0.867 427 R HN 0.421 nan 8.270 nan 0.000 0.441 428 E N -0.355 119.806 120.200 -0.064 0.000 2.311 428 E HA 0.107 4.463 4.350 0.011 0.000 0.198 428 E C 0.620 177.179 176.600 -0.068 0.000 1.115 428 E CA 0.455 56.815 56.400 -0.068 0.000 1.140 428 E CB 0.781 30.432 29.700 -0.082 0.000 1.204 428 E HN 0.582 nan 8.360 nan 0.000 0.446 429 G N 0.944 109.707 108.800 -0.062 0.000 2.143 429 G HA2 -0.279 3.688 3.960 0.011 0.000 0.249 429 G HA3 -0.279 3.688 3.960 0.011 0.000 0.249 429 G C -0.025 174.852 174.900 -0.039 0.000 0.981 429 G CA 0.030 45.101 45.100 -0.047 0.000 0.665 429 G HN 0.218 nan 8.290 nan 0.000 0.528 430 L N 0.783 121.977 121.223 -0.049 0.000 2.345 430 L HA 0.519 4.866 4.340 0.011 0.000 0.274 430 L C -2.120 174.741 176.870 -0.014 0.000 0.999 430 L CA -2.040 52.782 54.840 -0.029 0.000 0.849 430 L CB 2.010 44.042 42.059 -0.045 0.000 1.220 430 L HN -0.184 nan 8.230 nan 0.000 0.422 431 P HA 0.226 nan 4.420 nan 0.000 0.269 431 P C -0.769 176.552 177.300 0.036 0.000 1.217 431 P CA -0.279 62.850 63.100 0.048 0.000 0.783 431 P CB 0.831 32.587 31.700 0.094 0.000 0.898 432 S N 0.012 115.737 115.700 0.041 0.000 2.575 432 S HA 0.548 5.025 4.470 0.011 0.000 0.278 432 S C -1.145 173.468 174.600 0.023 0.000 1.139 432 S CA -0.806 57.409 58.200 0.026 0.000 0.954 432 S CB 1.611 64.820 63.200 0.015 0.000 1.054 432 S HN 0.284 nan 8.310 nan 0.000 0.483 433 Q N 2.294 122.108 119.800 0.022 0.000 2.256 433 Q HA 0.617 4.964 4.340 0.011 0.000 0.257 433 Q C -1.254 174.757 176.000 0.017 0.000 0.936 433 Q CA -0.666 55.151 55.803 0.023 0.000 0.903 433 Q CB 0.872 29.634 28.738 0.039 0.000 1.263 433 Q HN 0.786 nan 8.270 nan 0.000 0.440 434 I N 5.528 126.109 120.570 0.018 0.000 2.404 434 I HA 0.357 4.534 4.170 0.011 0.000 0.293 434 I C -1.008 175.132 176.117 0.038 0.000 0.992 434 I CA -0.999 60.309 61.300 0.014 0.000 1.149 434 I CB 1.125 39.126 38.000 0.002 0.000 1.315 434 I HN 0.667 nan 8.210 nan 0.000 0.446 435 L N 4.789 126.036 121.223 0.040 0.000 2.404 435 L HA 0.598 4.945 4.340 0.011 0.000 0.272 435 L C -0.340 176.566 176.870 0.060 0.000 0.980 435 L CA -0.698 54.187 54.840 0.074 0.000 0.836 435 L CB 0.966 43.095 42.059 0.116 0.000 1.238 435 L HN 0.265 nan 8.230 nan 0.000 0.408 436 N N 1.819 120.558 118.700 0.066 0.000 2.345 436 N HA 0.040 4.787 4.740 0.011 0.000 0.243 436 N C 0.938 176.485 175.510 0.061 0.000 1.246 436 N CA 0.087 53.170 53.050 0.055 0.000 0.863 436 N CB 1.576 40.100 38.487 0.062 0.000 1.096 436 N HN 0.664 nan 8.380 nan 0.000 0.446 437 V N 1.456 121.395 119.914 0.043 0.000 3.649 437 V HA 0.069 4.196 4.120 0.011 0.000 0.275 437 V C -1.740 174.385 176.094 0.053 0.000 1.281 437 V CA 0.212 62.538 62.300 0.042 0.000 1.143 437 V CB -0.510 31.322 31.823 0.015 0.000 0.892 437 V HN 0.561 nan 8.190 nan 0.000 0.441 438 P HA 0.257 nan 4.420 nan 0.000 0.219 438 P C -0.342 177.004 177.300 0.077 0.000 1.847 438 P CA 0.136 63.269 63.100 0.055 0.000 1.059 438 P CB 0.219 31.946 31.700 0.045 0.000 1.900 439 L N 2.348 123.630 121.223 0.098 0.000 2.331 439 L HA 0.350 4.697 4.340 0.011 0.000 0.278 439 L C 0.469 177.402 176.870 0.105 0.000 1.106 439 L CA -0.280 54.649 54.840 0.148 0.000 0.824 439 L CB 0.792 42.979 42.059 0.214 0.000 1.142 439 L HN 0.166 nan 8.230 nan 0.000 0.443 440 R N 3.085 123.641 120.500 0.092 0.000 2.437 440 R HA 0.110 4.457 4.340 0.011 0.000 0.310 440 R C 0.723 176.963 176.300 -0.100 0.000 0.955 440 R CA -0.367 55.727 56.100 -0.010 0.000 0.851 440 R CB 1.598 31.910 30.300 0.020 0.000 1.161 440 R HN 0.742 nan 8.270 nan 0.000 0.446 441 E N 2.894 122.818 120.200 -0.461 0.000 2.160 441 E HA -0.225 4.132 4.350 0.011 0.000 0.195 441 E C 0.349 176.899 176.600 -0.084 0.000 0.991 441 E CA 1.529 57.422 56.400 -0.846 0.000 0.810 441 E CB 0.276 29.282 29.700 -1.158 0.000 0.742 441 E HN 0.657 nan 8.360 nan 0.000 0.466 442 E N 0.653 120.820 120.200 -0.054 0.000 2.333 442 E HA -0.179 4.178 4.350 0.011 0.000 0.200 442 E C 0.103 176.760 176.600 0.095 0.000 1.010 442 E CA 0.928 57.347 56.400 0.032 0.000 0.841 442 E CB -0.112 29.584 29.700 -0.006 0.000 0.757 442 E HN 0.464 nan 8.360 nan 0.000 0.508 443 E N -0.413 119.895 120.200 0.179 0.000 2.373 443 E HA 0.325 4.682 4.350 0.011 0.000 0.233 443 E C 0.550 177.228 176.600 0.129 0.000 1.035 443 E CA -0.272 56.208 56.400 0.133 0.000 0.930 443 E CB 0.603 30.374 29.700 0.119 0.000 1.278 443 E HN 0.020 nan 8.360 nan 0.000 0.452 444 R N 1.355 121.834 120.500 -0.035 0.000 2.328 444 R HA -0.005 4.342 4.340 0.011 0.000 0.200 444 R C 0.798 176.766 176.300 -0.553 0.000 0.983 444 R CA 0.690 56.407 56.100 -0.638 0.000 1.062 444 R CB -1.138 28.980 30.300 -0.303 0.000 0.956 444 R HN 0.429 nan 8.270 nan 0.000 0.479 445 H N -0.555 118.240 119.070 -0.458 0.000 2.486 445 H HA 0.263 4.826 4.556 0.012 0.000 0.287 445 H C 2.043 177.284 175.328 -0.145 0.000 1.010 445 H CA 0.905 56.681 56.048 -0.455 0.000 1.324 445 H CB 0.482 29.915 29.762 -0.548 0.000 1.446 445 H HN 0.349 nan 8.280 nan 0.000 0.537 446 R N 0.090 120.582 120.500 -0.013 0.000 2.051 446 R HA -0.074 4.273 4.340 0.011 0.000 0.225 446 R C 2.088 178.467 176.300 0.132 0.000 1.155 446 R CA 1.438 57.594 56.100 0.093 0.000 0.945 446 R CB -0.424 29.977 30.300 0.168 0.000 0.840 446 R HN 0.496 nan 8.270 nan 0.000 0.432 447 W N 1.172 122.593 121.300 0.202 0.000 2.465 447 W HA -0.017 4.650 4.660 0.010 0.000 0.268 447 W C 0.872 177.502 176.519 0.186 0.000 1.242 447 W CA 0.376 57.838 57.345 0.196 0.000 1.248 447 W CB -0.520 29.096 29.460 0.260 0.000 1.118 447 W HN 0.164 nan 8.180 nan 0.000 0.587 448 E N 0.905 120.954 120.200 -0.252 0.000 2.107 448 E HA -0.169 4.188 4.350 0.011 0.000 0.191 448 E C 1.997 178.597 176.600 0.001 0.000 0.982 448 E CA 0.947 57.255 56.400 -0.153 0.000 0.809 448 E CB -0.131 29.413 29.700 -0.259 0.000 0.756 448 E HN 0.099 nan 8.360 nan 0.000 0.459 449 N N 0.710 119.436 118.700 0.044 0.000 2.142 449 N HA -0.114 4.633 4.740 0.011 0.000 0.186 449 N C 1.648 177.184 175.510 0.044 0.000 1.023 449 N CA 1.236 54.301 53.050 0.025 0.000 0.852 449 N CB -0.309 38.232 38.487 0.090 0.000 0.998 449 N HN 0.116 nan 8.380 nan 0.000 0.424 450 A N 1.424 124.310 122.820 0.110 0.000 1.865 450 A HA -0.105 4.222 4.320 0.011 0.000 0.217 450 A C 2.344 180.002 177.584 0.123 0.000 1.191 450 A CA 1.096 53.207 52.037 0.123 0.000 0.623 450 A CB -0.934 18.175 19.000 0.181 0.000 0.826 450 A HN 0.272 nan 8.150 nan 0.000 0.444 451 L N -1.205 120.128 121.223 0.184 0.000 2.127 451 L HA -0.197 4.149 4.340 0.011 0.000 0.211 451 L C 2.519 179.448 176.870 0.099 0.000 1.089 451 L CA 0.763 55.715 54.840 0.187 0.000 0.757 451 L CB -0.598 41.627 42.059 0.276 0.000 0.899 451 L HN 0.319 nan 8.230 nan 0.000 0.434 452 L N 0.019 121.263 121.223 0.035 0.000 2.056 452 L HA -0.076 4.271 4.340 0.011 0.000 0.207 452 L C 2.526 179.346 176.870 -0.084 0.000 1.078 452 L CA 2.036 56.846 54.840 -0.050 0.000 0.749 452 L CB -1.282 40.703 42.059 -0.123 0.000 0.901 452 L HN 0.147 nan 8.230 nan 0.000 0.433 453 G N -1.073 107.688 108.800 -0.065 0.000 2.394 453 G HA2 -0.191 3.776 3.960 0.011 0.000 0.214 453 G HA3 -0.191 3.776 3.960 0.011 0.000 0.214 453 G C 1.564 176.432 174.900 -0.054 0.000 1.176 453 G CA 0.513 45.561 45.100 -0.087 0.000 0.786 453 G HN 0.285 nan 8.290 nan 0.000 0.533 454 L N 0.593 121.819 121.223 0.005 0.000 2.021 454 L HA -0.064 4.283 4.340 0.011 0.000 0.215 454 L C 2.771 179.656 176.870 0.025 0.000 1.074 454 L CA 1.745 56.608 54.840 0.039 0.000 0.760 454 L CB -0.868 41.250 42.059 0.098 0.000 0.889 454 L HN 0.241 nan 8.230 nan 0.000 0.433 455 L N -0.546 120.682 121.223 0.008 0.000 2.141 455 L HA -0.159 4.188 4.340 0.011 0.000 0.209 455 L C 2.769 179.582 176.870 -0.096 0.000 1.094 455 L CA 1.015 55.831 54.840 -0.041 0.000 0.763 455 L CB -0.624 41.364 42.059 -0.119 0.000 0.908 455 L HN 0.333 nan 8.230 nan 0.000 0.437 456 A N 0.202 122.954 122.820 -0.113 0.000 1.873 456 A HA -0.207 4.120 4.320 0.011 0.000 0.215 456 A C 2.293 179.824 177.584 -0.089 0.000 1.186 456 A CA 1.528 53.486 52.037 -0.132 0.000 0.616 456 A CB -0.316 18.574 19.000 -0.184 0.000 0.823 456 A HN 0.292 nan 8.150 nan 0.000 0.442 457 K N -0.250 120.107 120.400 -0.071 0.000 2.152 457 K HA -0.067 4.260 4.320 0.011 0.000 0.206 457 K C 1.970 178.589 176.600 0.031 0.000 1.048 457 K CA 1.088 57.362 56.287 -0.021 0.000 0.933 457 K CB -0.278 32.220 32.500 -0.003 0.000 0.721 457 K HN 0.446 nan 8.250 nan 0.000 0.447 458 A N 0.414 123.247 122.820 0.022 0.000 2.206 458 A HA 0.137 4.464 4.320 0.011 0.000 0.211 458 A C 1.310 178.915 177.584 0.035 0.000 1.158 458 A CA 0.917 52.980 52.037 0.043 0.000 0.761 458 A CB -0.246 18.789 19.000 0.057 0.000 0.801 458 A HN 0.415 nan 8.150 nan 0.000 0.473 459 G N -1.752 107.056 108.800 0.013 0.000 2.140 459 G HA2 -0.120 3.847 3.960 0.011 0.000 0.211 459 G HA3 -0.120 3.847 3.960 0.011 0.000 0.211 459 G C -0.368 174.517 174.900 -0.026 0.000 1.013 459 G CA 0.078 45.188 45.100 0.017 0.000 0.705 459 G HN 0.341 nan 8.290 nan 0.000 0.508 460 L N 1.107 122.272 121.223 -0.097 0.000 2.296 460 L HA 0.472 4.819 4.340 0.011 0.000 0.286 460 L C 0.615 177.357 176.870 -0.212 0.000 1.023 460 L CA -0.636 54.090 54.840 -0.191 0.000 0.812 460 L CB 1.634 43.475 42.059 -0.364 0.000 1.223 460 L HN 0.228 nan 8.230 nan 0.000 0.421 461 Q N 3.034 122.747 119.800 -0.144 0.000 2.296 461 Q HA 0.148 4.495 4.340 0.011 0.000 0.263 461 Q C 0.679 176.601 176.000 -0.129 0.000 1.026 461 Q CA -0.148 55.605 55.803 -0.084 0.000 0.912 461 Q CB 1.744 30.497 28.738 0.024 0.000 1.198 461 Q HN 0.515 nan 8.270 nan 0.000 0.407 462 V N 2.462 122.293 119.914 -0.138 0.000 2.500 462 V HA 0.011 4.138 4.120 0.011 0.000 0.243 462 V C 0.736 176.872 176.094 0.070 0.000 1.039 462 V CA 0.837 63.094 62.300 -0.072 0.000 1.053 462 V CB 0.629 32.394 31.823 -0.096 0.000 0.695 462 V HN 0.470 nan 8.190 nan 0.000 0.463 463 V N -1.412 118.496 119.914 -0.010 0.000 3.078 463 V HA 0.921 5.048 4.120 0.011 0.000 0.311 463 V C -0.491 175.489 176.094 -0.189 0.000 1.138 463 V CA -0.109 62.162 62.300 -0.048 0.000 1.007 463 V CB 1.856 33.651 31.823 -0.046 0.000 1.045 463 V HN 0.310 nan 8.190 nan 0.000 0.432 464 A N 1.940 124.554 122.820 -0.342 0.000 2.583 464 A HA 0.962 5.289 4.320 0.011 0.000 0.289 464 A C -1.695 175.690 177.584 -0.332 0.000 1.151 464 A CA -0.587 51.160 52.037 -0.483 0.000 0.695 464 A CB 1.511 19.845 19.000 -1.110 0.000 1.290 464 A HN 0.684 nan 8.150 nan 0.000 0.419 465 L N 0.380 121.457 121.223 -0.242 0.000 2.304 465 L HA 0.742 5.089 4.340 0.011 0.000 0.268 465 L C 0.027 176.900 176.870 0.004 0.000 1.010 465 L CA -0.619 54.170 54.840 -0.085 0.000 0.813 465 L CB 2.291 44.339 42.059 -0.019 0.000 1.315 465 L HN 0.850 nan 8.230 nan 0.000 0.445 466 S N -0.140 115.620 115.700 0.100 0.000 2.776 466 S HA 0.871 5.348 4.470 0.011 0.000 0.284 466 S C -0.602 174.035 174.600 0.060 0.000 1.160 466 S CA -0.531 57.721 58.200 0.087 0.000 1.051 466 S CB 1.525 64.749 63.200 0.040 0.000 1.037 466 S HN 0.985 nan 8.310 nan 0.000 0.485 467 G N 0.673 109.461 108.800 -0.020 0.000 2.495 467 G HA2 0.659 4.626 3.960 0.011 0.000 0.294 467 G HA3 0.659 4.626 3.960 0.011 0.000 0.294 467 G C -1.151 173.487 174.900 -0.437 0.000 1.397 467 G CA -0.301 44.566 45.100 -0.388 0.000 0.790 467 G HN 1.282 nan 8.290 nan 0.000 0.486 468 A N 0.229 122.757 122.820 -0.488 0.000 3.175 468 A HA 0.659 4.986 4.320 0.011 0.000 0.289 468 A C -0.624 176.792 177.584 -0.281 0.000 1.429 468 A CA -0.492 51.378 52.037 -0.279 0.000 1.155 468 A CB -0.882 18.002 19.000 -0.194 0.000 1.169 468 A HN 0.482 nan 8.150 nan 0.000 0.574 469 Y N 1.112 121.424 120.300 0.019 0.000 2.319 469 Y HA 0.255 4.813 4.550 0.013 0.000 0.328 469 Y C -0.612 175.282 175.900 -0.011 0.000 1.133 469 Y CA -1.709 56.398 58.100 0.011 0.000 1.265 469 Y CB 0.579 39.050 38.460 0.017 0.000 1.218 469 Y HN 0.452 nan 8.280 nan 0.000 0.508 470 P HA -0.137 nan 4.420 nan 0.000 0.219 470 P C -0.048 177.286 177.300 0.056 0.000 1.146 470 P CA 1.046 64.174 63.100 0.046 0.000 0.808 470 P CB 0.281 31.984 31.700 0.005 0.000 0.779 471 A N 0.073 122.942 122.820 0.081 0.000 2.317 471 A HA 0.328 4.655 4.320 0.011 0.000 0.327 471 A C 0.948 178.566 177.584 0.056 0.000 1.178 471 A CA -0.574 51.492 52.037 0.049 0.000 0.817 471 A CB 1.030 20.045 19.000 0.025 0.000 1.189 471 A HN -0.080 nan 8.150 nan 0.000 0.489 472 E N 0.418 120.638 120.200 0.034 0.000 2.318 472 E HA 0.077 4.434 4.350 0.011 0.000 0.193 472 E C -0.556 176.030 176.600 -0.023 0.000 0.998 472 E CA 0.426 56.862 56.400 0.059 0.000 0.859 472 E CB 0.299 30.058 29.700 0.098 0.000 0.812 472 E HN 0.473 nan 8.360 nan 0.000 0.492 473 L N -0.083 121.060 121.223 -0.133 0.000 2.464 473 L HA 0.537 4.883 4.340 0.011 0.000 0.266 473 L C -1.845 174.949 176.870 -0.126 0.000 0.965 473 L CA -0.716 53.979 54.840 -0.243 0.000 0.833 473 L CB 1.964 43.651 42.059 -0.619 0.000 1.296 473 L HN -0.175 nan 8.230 nan 0.000 0.405 474 A N 4.573 127.340 122.820 -0.088 0.000 2.311 474 A HA 0.737 5.064 4.320 0.011 0.000 0.306 474 A C -1.482 176.080 177.584 -0.037 0.000 1.189 474 A CA -0.517 51.497 52.037 -0.038 0.000 0.791 474 A CB 1.482 20.459 19.000 -0.037 0.000 1.172 474 A HN 0.895 nan 8.150 nan 0.000 0.481 475 V N 3.059 122.961 119.914 -0.021 0.000 2.448 475 V HA 0.836 4.963 4.120 0.011 0.000 0.295 475 V C 0.361 176.423 176.094 -0.054 0.000 1.025 475 V CA 0.314 62.557 62.300 -0.095 0.000 0.859 475 V CB 1.526 33.233 31.823 -0.194 0.000 0.988 475 V HN 1.210 nan 8.190 nan 0.000 0.431 476 G N 5.257 114.006 108.800 -0.085 0.000 2.400 476 G HA2 0.698 4.665 3.960 0.011 0.000 0.333 476 G HA3 0.698 4.665 3.960 0.011 0.000 0.333 476 G C -1.459 173.417 174.900 -0.041 0.000 1.143 476 G CA -0.515 44.628 45.100 0.072 0.000 0.914 476 G HN 0.550 nan 8.290 nan 0.000 0.480 477 F N 0.196 120.266 119.950 0.200 0.000 2.522 477 F HA 0.500 5.030 4.527 0.005 0.000 0.324 477 F C -0.018 175.995 175.800 0.355 0.000 1.077 477 F CA -1.090 57.091 58.000 0.302 0.000 0.944 477 F CB 2.703 41.916 39.000 0.355 0.000 1.175 477 F HN 0.224 nan 8.300 nan 0.000 0.468 478 D N 1.344 122.036 120.400 0.486 0.000 2.788 478 D HA 0.456 5.102 4.640 0.011 0.000 0.247 478 D C -0.847 175.431 176.300 -0.037 0.000 1.236 478 D CA -0.281 53.844 54.000 0.209 0.000 0.898 478 D CB 2.149 42.992 40.800 0.071 0.000 1.401 478 D HN 0.659 nan 8.370 nan 0.000 0.549 479 A N 2.800 125.395 122.820 -0.376 0.000 2.833 479 A HA 0.607 4.934 4.320 0.011 0.000 0.293 479 A C 1.104 178.530 177.584 -0.263 0.000 1.338 479 A CA 0.588 52.203 52.037 -0.703 0.000 0.959 479 A CB -0.480 17.734 19.000 -1.310 0.000 1.094 479 A HN 0.874 nan 8.150 nan 0.000 0.569 480 G N 0.044 108.769 108.800 -0.125 0.000 2.527 480 G HA2 -0.011 3.956 3.960 0.011 0.000 0.268 480 G HA3 -0.011 3.956 3.960 0.011 0.000 0.268 480 G C 0.849 175.720 174.900 -0.049 0.000 1.175 480 G CA -0.009 45.062 45.100 -0.048 0.000 0.962 480 G HN 1.502 nan 8.290 nan 0.000 0.560 481 G N -0.025 108.753 108.800 -0.037 0.000 3.936 481 G HA2 0.526 4.493 3.960 0.011 0.000 0.296 481 G HA3 0.526 4.493 3.960 0.011 0.000 0.296 481 G C 0.508 175.378 174.900 -0.049 0.000 1.121 481 G CA 0.908 45.987 45.100 -0.035 0.000 0.899 481 G HN 0.595 nan 8.290 nan 0.000 0.542 482 R N -0.881 119.577 120.500 -0.069 0.000 2.705 482 R HA 0.599 4.946 4.340 0.011 0.000 0.246 482 R C 0.627 176.895 176.300 -0.053 0.000 1.142 482 R CA 0.209 56.267 56.100 -0.070 0.000 1.114 482 R CB 0.850 31.103 30.300 -0.078 0.000 1.256 482 R HN 0.071 nan 8.270 nan 0.000 0.536 483 E N 0.001 120.186 120.200 -0.026 0.000 2.569 483 E HA 0.170 4.526 4.350 0.011 0.000 0.205 483 E C -0.481 176.150 176.600 0.052 0.000 1.006 483 E CA -0.040 56.368 56.400 0.013 0.000 0.985 483 E CB 1.050 30.755 29.700 0.009 0.000 1.060 483 E HN 0.422 nan 8.360 nan 0.000 0.460 484 S N -1.501 114.219 115.700 0.033 0.000 2.535 484 S HA 0.538 5.014 4.470 0.011 0.000 0.272 484 S C -1.173 173.470 174.600 0.071 0.000 1.149 484 S CA -0.474 57.792 58.200 0.110 0.000 0.888 484 S CB 0.549 63.805 63.200 0.095 0.000 1.110 484 S HN 0.236 nan 8.310 nan 0.000 0.463 485 F N 3.182 123.168 119.950 0.059 0.000 2.696 485 F HA 0.264 4.805 4.527 0.023 0.000 0.296 485 F C 1.961 177.797 175.800 0.061 0.000 1.181 485 F CA -0.127 57.907 58.000 0.056 0.000 1.411 485 F CB 0.059 39.056 39.000 -0.004 0.000 1.014 485 F HN 0.617 nan 8.300 nan 0.000 0.512 486 R N -2.296 118.319 120.500 0.191 0.000 2.317 486 R HA 0.066 4.413 4.340 0.011 0.000 0.208 486 R C 1.392 177.804 176.300 0.186 0.000 0.914 486 R CA 0.515 56.713 56.100 0.162 0.000 1.060 486 R CB -0.399 29.984 30.300 0.138 0.000 1.015 486 R HN 0.220 nan 8.270 nan 0.000 0.498 487 F N 0.722 120.679 119.950 0.011 0.000 2.213 487 F HA 0.441 4.971 4.527 0.005 0.000 0.272 487 F C 1.725 177.523 175.800 -0.004 0.000 1.095 487 F CA 1.300 59.299 58.000 -0.002 0.000 1.128 487 F CB -0.343 38.641 39.000 -0.026 0.000 1.091 487 F HN -0.004 nan 8.300 nan 0.000 0.530 488 G N -1.499 107.274 108.800 -0.046 0.000 2.487 488 G HA2 0.424 4.391 3.960 0.011 0.000 0.212 488 G HA3 0.424 4.391 3.960 0.011 0.000 0.212 488 G C 0.085 174.971 174.900 -0.024 0.000 1.988 488 G CA 0.271 45.289 45.100 -0.136 0.000 0.724 488 G HN 1.049 nan 8.290 nan 0.000 0.755 489 G N -1.117 107.644 108.800 -0.064 0.000 2.879 489 G HA2 0.483 4.450 3.960 0.011 0.000 0.686 489 G HA3 0.483 4.450 3.960 0.011 0.000 0.686 489 G C -0.415 174.569 174.900 0.140 0.000 1.115 489 G CA 0.031 45.156 45.100 0.042 0.000 0.770 489 G HN 1.920 nan 8.290 nan 0.000 0.601 490 A N 0.657 123.584 122.820 0.177 0.000 2.606 490 A HA 1.218 5.545 4.320 0.011 0.000 0.293 490 A C 0.039 177.672 177.584 0.081 0.000 1.082 490 A CA 0.185 52.270 52.037 0.080 0.000 0.685 490 A CB 1.400 20.373 19.000 -0.044 0.000 1.284 490 A HN 2.796 nan 8.150 nan 0.000 0.408 491 A N -0.489 122.327 122.820 -0.006 0.000 2.556 491 A HA 0.762 5.089 4.320 0.011 0.000 0.294 491 A C -1.009 176.532 177.584 -0.071 0.000 1.091 491 A CA -0.453 51.507 52.037 -0.128 0.000 0.704 491 A CB 1.198 19.982 19.000 -0.360 0.000 1.300 491 A HN 1.581 nan 8.150 nan 0.000 0.406 492 C N 0.837 120.078 119.300 -0.099 0.000 2.608 492 C HA 0.849 5.316 4.460 0.011 0.000 0.325 492 C C 0.497 175.474 174.990 -0.022 0.000 1.147 492 C CA -0.153 58.879 59.018 0.023 0.000 1.359 492 C CB 0.765 28.565 27.740 0.100 0.000 1.912 492 C HN 1.261 nan 8.230 nan 0.000 0.466 493 A N 2.575 125.405 122.820 0.017 0.000 2.350 493 A HA 0.986 5.313 4.320 0.011 0.000 0.318 493 A C -1.129 176.490 177.584 0.058 0.000 1.132 493 A CA -0.427 51.607 52.037 -0.006 0.000 0.811 493 A CB 1.109 20.085 19.000 -0.040 0.000 1.313 493 A HN 0.757 nan 8.150 nan 0.000 0.454 494 V N 0.335 120.269 119.914 0.033 0.000 2.686 494 V HA 0.739 4.866 4.120 0.011 0.000 0.306 494 V C 0.539 176.673 176.094 0.066 0.000 1.065 494 V CA 0.112 62.448 62.300 0.061 0.000 0.894 494 V CB 1.766 33.598 31.823 0.016 0.000 1.004 494 V HN 1.374 nan 8.190 nan 0.000 0.424 499 G N 0.749 109.475 108.800 -0.123 0.000 2.348 499 G HA2 0.667 4.634 3.960 0.011 0.000 0.312 499 G HA3 0.667 4.634 3.960 0.011 0.000 0.312 499 G C -0.843 173.930 174.900 -0.211 0.000 1.126 499 G CA -0.464 44.564 45.100 -0.120 0.000 0.865 499 G HN 0.699 nan 8.290 nan 0.000 0.474 500 H N 0.017 119.148 119.070 0.103 0.000 2.895 500 H HA 0.541 5.104 4.556 0.011 0.000 0.373 500 H C -0.663 174.724 175.328 0.099 0.000 1.174 500 H CA -0.752 55.354 56.048 0.097 0.000 1.144 500 H CB 2.617 32.447 29.762 0.113 0.000 1.793 500 H HN 0.275 nan 8.280 nan 0.000 0.551 501 L N 4.092 125.449 121.223 0.224 0.000 2.427 501 L HA 0.385 4.732 4.340 0.011 0.000 0.264 501 L C -1.189 175.782 176.870 0.168 0.000 0.989 501 L CA -0.536 54.405 54.840 0.168 0.000 0.865 501 L CB 0.864 42.995 42.059 0.121 0.000 1.209 501 L HN 0.325 nan 8.230 nan 0.000 0.430 502 L N 0.177 121.492 121.223 0.152 0.000 2.319 502 L HA 0.783 5.130 4.340 0.011 0.000 0.267 502 L C -0.781 176.192 176.870 0.171 0.000 1.011 502 L CA -0.688 54.198 54.840 0.077 0.000 0.818 502 L CB 2.034 44.077 42.059 -0.027 0.000 1.316 502 L HN 0.509 nan 8.230 nan 0.000 0.432 503 W N 0.110 121.514 121.300 0.172 0.000 2.706 503 W HA 0.744 5.421 4.660 0.029 0.000 0.346 503 W C -1.312 175.259 176.519 0.086 0.000 1.071 503 W CA -0.892 56.541 57.345 0.147 0.000 1.206 503 W CB 1.463 31.111 29.460 0.313 0.000 1.413 503 W HN 0.648 nan 8.180 nan 0.000 0.542 504 T N 2.801 117.575 114.554 0.366 0.000 2.991 504 T HA 0.550 4.907 4.350 0.011 0.000 0.303 504 T C -1.320 173.543 174.700 0.273 0.000 1.015 504 T CA -0.453 61.774 62.100 0.211 0.000 1.007 504 T CB 0.901 69.767 68.868 -0.003 0.000 1.034 504 T HN 0.470 nan 8.240 nan 0.000 0.446 505 L N 5.133 126.536 121.223 0.300 0.000 2.330 505 L HA 0.577 4.924 4.340 0.011 0.000 0.271 505 L C -2.042 174.788 176.870 -0.067 0.000 1.013 505 L CA -2.681 52.200 54.840 0.070 0.000 0.816 505 L CB 2.006 44.042 42.059 -0.038 0.000 1.287 505 L HN 0.506 nan 8.230 nan 0.000 0.435 506 P HA -0.050 nan 4.420 nan 0.000 0.260 506 P C -0.423 176.849 177.300 -0.048 0.000 1.172 506 P CA -0.009 63.067 63.100 -0.039 0.000 0.760 506 P CB 0.245 31.924 31.700 -0.034 0.000 0.773 514 I N 6.967 127.568 120.570 0.051 0.000 2.618 514 I HA 0.093 4.270 4.170 0.011 0.000 0.284 514 I C -1.071 175.079 176.117 0.054 0.000 1.146 514 I CA -2.074 59.256 61.300 0.050 0.000 1.425 514 I CB 0.941 38.964 38.000 0.038 0.000 1.383 514 I HN 0.636 nan 8.210 nan 0.000 0.562 515 P HA -0.169 nan 4.420 nan 0.000 0.217 515 P C 1.087 178.380 177.300 -0.013 0.000 1.150 515 P CA 1.334 64.480 63.100 0.077 0.000 0.832 515 P CB 0.322 32.091 31.700 0.113 0.000 0.787 516 Q N -0.533 119.249 119.800 -0.029 0.000 2.226 516 Q HA -0.138 4.209 4.340 0.011 0.000 0.204 516 Q C 2.155 178.135 176.000 -0.033 0.000 0.975 516 Q CA 0.920 56.675 55.803 -0.080 0.000 0.866 516 Q CB -0.169 28.537 28.738 -0.053 0.000 0.915 516 Q HN 0.356 nan 8.270 nan 0.000 0.440 517 E N 0.181 120.391 120.200 0.016 0.000 2.028 517 E HA -0.115 4.242 4.350 0.011 0.000 0.190 517 E C 2.289 178.906 176.600 0.029 0.000 0.984 517 E CA 0.821 57.258 56.400 0.062 0.000 0.800 517 E CB -0.273 29.462 29.700 0.058 0.000 0.758 517 E HN 0.142 nan 8.360 nan 0.000 0.448 518 V N 1.572 121.495 119.914 0.015 0.000 2.278 518 V HA -0.281 3.846 4.120 0.011 0.000 0.251 518 V C 2.642 178.704 176.094 -0.054 0.000 1.062 518 V CA 1.836 64.149 62.300 0.023 0.000 1.038 518 V CB -0.833 31.059 31.823 0.116 0.000 0.646 518 V HN 0.052 nan 8.190 nan 0.000 0.447 519 V N -0.897 118.888 119.914 -0.216 0.000 2.295 519 V HA -0.286 3.840 4.120 0.011 0.000 0.246 519 V C 2.078 178.087 176.094 -0.142 0.000 1.049 519 V CA 2.392 64.434 62.300 -0.431 0.000 1.024 519 V CB -0.771 30.456 31.823 -0.992 0.000 0.648 519 V HN 0.832 nan 8.190 nan 0.000 0.447 520 W N 0.808 121.962 121.300 -0.243 0.000 2.465 520 W HA -0.144 4.525 4.660 0.015 0.000 0.268 520 W C 1.655 178.132 176.519 -0.069 0.000 1.242 520 W CA 1.073 58.328 57.345 -0.150 0.000 1.248 520 W CB 0.074 29.455 29.460 -0.133 0.000 1.118 520 W HN 0.333 nan 8.180 nan 0.000 0.587 521 D N 0.801 121.046 120.400 -0.258 0.000 2.249 521 D HA -0.051 4.596 4.640 0.011 0.000 0.205 521 D C 2.308 178.474 176.300 -0.224 0.000 0.962 521 D CA 0.926 54.728 54.000 -0.330 0.000 0.860 521 D CB -0.308 40.406 40.800 -0.144 0.000 0.955 521 D HN 0.275 nan 8.370 nan 0.000 0.505 522 L N 0.135 121.301 121.223 -0.096 0.000 2.179 522 L HA -0.074 4.272 4.340 0.011 0.000 0.208 522 L C 2.214 179.031 176.870 -0.089 0.000 1.096 522 L CA 0.292 55.112 54.840 -0.033 0.000 0.779 522 L CB -0.105 42.013 42.059 0.098 0.000 0.922 522 L HN 0.066 nan 8.230 nan 0.000 0.443 523 L N 0.225 121.418 121.223 -0.049 0.000 2.044 523 L HA -0.177 4.170 4.340 0.011 0.000 0.205 523 L C 2.395 179.082 176.870 -0.305 0.000 1.075 523 L CA 1.780 56.592 54.840 -0.047 0.000 0.747 523 L CB -0.570 41.610 42.059 0.203 0.000 0.903 523 L HN 0.238 nan 8.230 nan 0.000 0.435 524 E N -0.681 119.065 120.200 -0.758 0.000 2.012 524 E HA -0.266 4.091 4.350 0.011 0.000 0.197 524 E C 2.016 178.351 176.600 -0.441 0.000 1.007 524 E CA 1.529 57.385 56.400 -0.908 0.000 0.816 524 E CB -0.101 28.829 29.700 -1.284 0.000 0.762 524 E HN 0.428 nan 8.360 nan 0.000 0.451 525 E N -0.087 119.971 120.200 -0.236 0.000 2.114 525 E HA -0.204 4.153 4.350 0.011 0.000 0.199 525 E C 2.200 178.791 176.600 -0.016 0.000 1.008 525 E CA 1.736 58.129 56.400 -0.011 0.000 0.810 525 E CB -0.600 29.090 29.700 -0.018 0.000 0.739 525 E HN 0.337 nan 8.360 nan 0.000 0.456 526 T N 1.495 115.995 114.554 -0.091 0.000 2.788 526 T HA -0.103 4.254 4.350 0.011 0.000 0.268 526 T C 2.097 176.790 174.700 -0.011 0.000 1.044 526 T CA 0.826 62.889 62.100 -0.062 0.000 1.139 526 T CB -0.168 68.632 68.868 -0.113 0.000 0.867 526 T HN 0.102 nan 8.240 nan 0.000 0.454 527 L N -1.131 120.039 121.223 -0.088 0.000 2.093 527 L HA -0.032 4.314 4.340 0.011 0.000 0.208 527 L C 2.430 179.340 176.870 0.066 0.000 1.085 527 L CA 1.307 56.105 54.840 -0.069 0.000 0.755 527 L CB -0.431 41.490 42.059 -0.229 0.000 0.904 527 L HN 0.400 nan 8.230 nan 0.000 0.435 528 W N -0.331 120.967 121.300 -0.003 0.000 2.355 528 W HA -0.219 4.446 4.660 0.008 0.000 0.309 528 W C 2.703 179.210 176.519 -0.020 0.000 1.206 528 W CA 0.498 57.834 57.345 -0.013 0.000 1.284 528 W CB -0.163 29.264 29.460 -0.055 0.000 1.145 528 W HN 0.112 nan 8.180 nan 0.000 0.502 529 A N -0.275 122.677 122.820 0.220 0.000 1.902 529 A HA -0.256 4.071 4.320 0.011 0.000 0.217 529 A C 1.683 179.298 177.584 0.053 0.000 1.181 529 A CA 1.552 53.627 52.037 0.063 0.000 0.623 529 A CB -1.253 17.733 19.000 -0.023 0.000 0.818 529 A HN 0.381 nan 8.150 nan 0.000 0.443 530 F N 0.305 120.236 119.950 -0.032 0.000 2.134 530 F HA -0.121 4.412 4.527 0.010 0.000 0.299 530 F C 2.335 178.121 175.800 -0.024 0.000 1.097 530 F CA 1.896 59.859 58.000 -0.061 0.000 1.264 530 F CB -0.183 38.802 39.000 -0.025 0.000 1.001 530 F HN 0.175 nan 8.300 nan 0.000 0.479 531 R N 0.083 120.687 120.500 0.174 0.000 2.148 531 R HA -0.098 4.249 4.340 0.011 0.000 0.227 531 R C 2.335 178.637 176.300 0.004 0.000 1.103 531 R CA 1.140 57.314 56.100 0.123 0.000 0.983 531 R CB -0.045 30.445 30.300 0.317 0.000 0.874 531 R HN 0.285 nan 8.270 nan 0.000 0.451 532 R N -0.293 120.196 120.500 -0.018 0.000 2.062 532 R HA -0.042 4.305 4.340 0.011 0.000 0.226 532 R C 2.550 178.758 176.300 -0.155 0.000 1.125 532 R CA 1.627 57.684 56.100 -0.072 0.000 0.966 532 R CB -0.292 29.967 30.300 -0.068 0.000 0.861 532 R HN 0.128 nan 8.270 nan 0.000 0.433 533 K N 0.843 121.076 120.400 -0.279 0.000 2.228 533 K HA 0.158 4.484 4.320 0.011 0.000 0.202 533 K C 1.703 178.060 176.600 -0.405 0.000 1.051 533 K CA 1.357 57.397 56.287 -0.411 0.000 0.960 533 K CB -0.154 31.897 32.500 -0.748 0.000 0.743 533 K HN 0.327 nan 8.250 nan 0.000 0.458 534 A N -1.373 121.162 122.820 -0.475 0.000 2.431 534 A HA 0.505 4.832 4.320 0.011 0.000 0.239 534 A C 2.033 179.516 177.584 -0.168 0.000 1.230 534 A CA 1.040 52.874 52.037 -0.338 0.000 0.928 534 A CB -0.202 18.367 19.000 -0.717 0.000 1.006 534 A HN 1.387 nan 8.150 nan 0.000 0.520 535 G N -0.754 107.969 108.800 -0.128 0.000 2.196 535 G HA2 -0.312 3.655 3.960 0.011 0.000 0.268 535 G HA3 -0.312 3.655 3.960 0.011 0.000 0.268 535 G C 0.429 175.329 174.900 0.001 0.000 0.975 535 G CA 1.129 46.204 45.100 -0.041 0.000 0.648 535 G HN 0.729 nan 8.290 nan 0.000 0.538 536 R N -1.573 118.921 120.500 -0.010 0.000 2.799 536 R HA 0.740 5.087 4.340 0.011 0.000 0.270 536 R C -0.936 175.471 176.300 0.179 0.000 1.010 536 R CA -0.955 55.192 56.100 0.078 0.000 0.916 536 R CB 1.069 31.422 30.300 0.088 0.000 1.228 536 R HN 0.097 nan 8.270 nan 0.000 0.469 537 L N 2.724 124.069 121.223 0.203 0.000 2.399 537 L HA 0.577 4.924 4.340 0.011 0.000 0.265 537 L C -2.103 174.925 176.870 0.265 0.000 1.089 537 L CA -1.926 53.060 54.840 0.245 0.000 0.802 537 L CB 0.966 43.100 42.059 0.125 0.000 1.180 537 L HN 0.556 nan 8.230 nan 0.000 0.454 538 P HA 0.195 nan 4.420 nan 0.000 0.276 538 P C -0.138 177.206 177.300 0.075 0.000 1.244 538 P CA -0.343 62.830 63.100 0.121 0.000 0.801 538 P CB 0.963 32.581 31.700 -0.137 0.000 1.006 539 S N 1.787 117.530 115.700 0.071 0.000 2.377 539 S HA -0.004 4.472 4.470 0.011 0.000 0.223 539 S C 0.908 175.527 174.600 0.031 0.000 1.030 539 S CA 0.401 58.631 58.200 0.050 0.000 0.970 539 S CB -0.101 63.127 63.200 0.048 0.000 0.830 539 S HN 0.532 nan 8.310 nan 0.000 0.473 540 R N 0.588 121.103 120.500 0.025 0.000 2.604 540 R HA 0.564 4.911 4.340 0.011 0.000 0.281 540 R C -1.719 174.592 176.300 0.018 0.000 1.020 540 R CA -0.629 55.485 56.100 0.024 0.000 0.899 540 R CB 2.267 32.576 30.300 0.015 0.000 1.205 540 R HN 0.268 nan 8.270 nan 0.000 0.450 541 V N 1.978 121.926 119.914 0.057 0.000 2.581 541 V HA 0.627 4.754 4.120 0.011 0.000 0.303 541 V C -0.923 175.231 176.094 0.101 0.000 1.041 541 V CA -1.074 61.251 62.300 0.042 0.000 0.907 541 V CB 1.594 33.449 31.823 0.053 0.000 0.994 541 V HN 0.622 nan 8.190 nan 0.000 0.442 542 L N 5.527 126.792 121.223 0.069 0.000 2.265 542 L HA 0.589 4.935 4.340 0.011 0.000 0.289 542 L C -0.557 176.392 176.870 0.133 0.000 1.033 542 L CA -0.239 54.661 54.840 0.099 0.000 0.814 542 L CB 0.786 42.878 42.059 0.055 0.000 1.203 542 L HN 0.723 nan 8.230 nan 0.000 0.423 543 L N 6.703 128.034 121.223 0.179 0.000 2.264 543 L HA 0.438 4.785 4.340 0.011 0.000 0.289 543 L C -0.681 176.296 176.870 0.178 0.000 1.044 543 L CA -0.333 54.657 54.840 0.252 0.000 0.807 543 L CB 0.905 43.101 42.059 0.229 0.000 1.192 543 L HN 0.530 nan 8.230 nan 0.000 0.425 544 L N 5.667 127.043 121.223 0.254 0.000 2.325 544 L HA 0.633 4.980 4.340 0.011 0.000 0.281 544 L C -0.093 176.937 176.870 0.266 0.000 1.004 544 L CA -0.536 54.410 54.840 0.178 0.000 0.823 544 L CB 1.536 43.678 42.059 0.140 0.000 1.236 544 L HN 0.698 nan 8.230 nan 0.000 0.415 545 R N 0.280 120.848 120.500 0.114 0.000 2.855 545 R HA 0.512 4.859 4.340 0.011 0.000 0.266 545 R C -1.436 174.923 176.300 0.099 0.000 1.034 545 R CA -0.959 55.241 56.100 0.166 0.000 0.944 545 R CB 1.799 32.089 30.300 -0.018 0.000 1.219 545 R HN 0.309 nan 8.270 nan 0.000 0.474 546 D N 0.354 120.846 120.400 0.153 0.000 2.317 546 D HA 0.173 4.820 4.640 0.011 0.000 0.252 546 D C 1.266 177.596 176.300 0.051 0.000 1.174 546 D CA 0.370 54.424 54.000 0.090 0.000 0.866 546 D CB 1.545 42.406 40.800 0.100 0.000 1.127 546 D HN 0.672 nan 8.370 nan 0.000 0.467 547 G N 4.570 113.373 108.800 0.005 0.000 2.545 547 G HA2 -0.314 3.653 3.960 0.011 0.000 0.222 547 G HA3 -0.314 3.653 3.960 0.011 0.000 0.222 547 G C 0.920 175.818 174.900 -0.003 0.000 1.126 547 G CA 0.696 45.784 45.100 -0.020 0.000 0.754 547 G HN 0.689 nan 8.290 nan 0.000 0.583 548 R N -0.152 120.356 120.500 0.014 0.000 4.902 548 R HA 0.397 4.744 4.340 0.011 0.000 0.201 548 R C -1.190 175.138 176.300 0.045 0.000 2.020 548 R CA -0.187 55.923 56.100 0.016 0.000 1.674 548 R CB -0.107 30.197 30.300 0.008 0.000 1.349 548 R HN 0.083 nan 8.270 nan 0.000 0.813 549 V N 1.637 121.589 119.914 0.065 0.000 2.567 549 V HA 0.256 4.383 4.120 0.011 0.000 0.298 549 V C -2.279 173.876 176.094 0.101 0.000 1.047 549 V CA -2.400 59.977 62.300 0.127 0.000 0.880 549 V CB 2.346 34.321 31.823 0.254 0.000 1.009 549 V HN 0.319 nan 8.190 nan 0.000 0.429 550 P HA -0.061 nan 4.420 nan 0.000 0.263 550 P C 0.499 177.850 177.300 0.085 0.000 1.168 550 P CA 0.497 63.636 63.100 0.064 0.000 0.759 550 P CB 0.531 32.269 31.700 0.065 0.000 0.782 551 Q N 2.069 121.886 119.800 0.027 0.000 2.435 551 Q HA -0.131 4.216 4.340 0.011 0.000 0.207 551 Q C 0.451 176.491 176.000 0.065 0.000 0.956 551 Q CA 0.898 56.699 55.803 -0.003 0.000 0.917 551 Q CB 0.044 28.740 28.738 -0.071 0.000 0.997 551 Q HN 0.427 nan 8.270 nan 0.000 0.497 552 D N 0.842 121.277 120.400 0.058 0.000 2.269 552 D HA -0.138 4.508 4.640 0.011 0.000 0.208 552 D C 0.945 177.271 176.300 0.043 0.000 0.963 552 D CA 0.610 54.632 54.000 0.038 0.000 0.864 552 D CB -0.032 40.780 40.800 0.020 0.000 0.936 552 D HN 0.429 nan 8.370 nan 0.000 0.505 553 E N -0.191 120.062 120.200 0.089 0.000 2.515 553 E HA -0.087 4.270 4.350 0.011 0.000 0.201 553 E C 0.612 177.063 176.600 -0.249 0.000 1.071 553 E CA 0.438 56.819 56.400 -0.032 0.000 0.880 553 E CB -0.099 29.609 29.700 0.012 0.000 0.828 553 E HN 0.374 nan 8.360 nan 0.000 0.540 554 F N -0.371 119.453 119.950 -0.210 0.000 2.706 554 F HA 0.325 4.859 4.527 0.011 0.000 0.313 554 F C 2.003 177.667 175.800 -0.226 0.000 1.096 554 F CA -0.176 57.665 58.000 -0.265 0.000 1.219 554 F CB 0.064 38.880 39.000 -0.307 0.000 1.051 554 F HN -0.070 nan 8.300 nan 0.000 0.568 555 A N 0.582 123.383 122.820 -0.033 0.000 1.859 555 A HA -0.229 4.098 4.320 0.011 0.000 0.217 555 A C 2.164 179.660 177.584 -0.147 0.000 1.198 555 A CA 2.068 54.056 52.037 -0.081 0.000 0.629 555 A CB -1.039 17.925 19.000 -0.060 0.000 0.830 555 A HN 0.326 nan 8.150 nan 0.000 0.446 556 L N -0.250 120.878 121.223 -0.157 0.000 2.079 556 L HA -0.096 4.251 4.340 0.011 0.000 0.210 556 L C 2.585 179.237 176.870 -0.363 0.000 1.081 556 L CA 2.383 57.087 54.840 -0.227 0.000 0.752 556 L CB -0.833 41.129 42.059 -0.163 0.000 0.896 556 L HN 0.362 nan 8.230 nan 0.000 0.433 557 A N -0.564 122.101 122.820 -0.258 0.000 1.933 557 A HA -0.126 4.201 4.320 0.011 0.000 0.218 557 A C 2.240 179.618 177.584 -0.343 0.000 1.175 557 A CA 1.860 53.764 52.037 -0.221 0.000 0.628 557 A CB -0.802 18.165 19.000 -0.056 0.000 0.814 557 A HN 0.532 nan 8.150 nan 0.000 0.444 558 L N -0.607 120.412 121.223 -0.340 0.000 2.093 558 L HA -0.152 4.195 4.340 0.011 0.000 0.208 558 L C 2.551 179.228 176.870 -0.322 0.000 1.085 558 L CA 1.268 55.823 54.840 -0.475 0.000 0.755 558 L CB -0.657 41.117 42.059 -0.474 0.000 0.904 558 L HN 0.450 nan 8.230 nan 0.000 0.435 559 E N 0.572 120.599 120.200 -0.288 0.000 2.106 559 E HA -0.191 4.166 4.350 0.011 0.000 0.192 559 E C 2.314 178.729 176.600 -0.308 0.000 0.984 559 E CA 1.235 57.494 56.400 -0.234 0.000 0.806 559 E CB -0.101 29.465 29.700 -0.223 0.000 0.750 559 E HN 0.496 nan 8.360 nan 0.000 0.458 560 A N 1.803 124.293 122.820 -0.549 0.000 1.877 560 A HA -0.144 4.183 4.320 0.011 0.000 0.216 560 A C 2.319 179.664 177.584 -0.399 0.000 1.186 560 A CA 1.000 52.598 52.037 -0.732 0.000 0.620 560 A CB -0.763 17.115 19.000 -1.869 0.000 0.822 560 A HN 0.114 nan 8.150 nan 0.000 0.443 561 L N -0.760 120.285 121.223 -0.297 0.000 2.042 561 L HA -0.247 4.100 4.340 0.011 0.000 0.210 561 L C 3.100 179.990 176.870 0.033 0.000 1.076 561 L CA 1.261 56.073 54.840 -0.047 0.000 0.749 561 L CB -0.559 41.518 42.059 0.030 0.000 0.893 561 L HN 0.465 nan 8.230 nan 0.000 0.432 562 A N -0.219 122.625 122.820 0.040 0.000 1.898 562 A HA -0.218 4.109 4.320 0.011 0.000 0.216 562 A C 2.394 179.976 177.584 -0.004 0.000 1.181 562 A CA 1.386 53.464 52.037 0.068 0.000 0.620 562 A CB -0.555 18.497 19.000 0.086 0.000 0.819 562 A HN 0.322 nan 8.150 nan 0.000 0.442 563 R N -0.787 119.676 120.500 -0.062 0.000 2.249 563 R HA -0.124 4.223 4.340 0.011 0.000 0.230 563 R C 0.570 176.848 176.300 -0.036 0.000 1.121 563 R CA 1.521 57.582 56.100 -0.064 0.000 0.997 563 R CB 0.010 30.240 30.300 -0.116 0.000 0.867 563 R HN 0.400 nan 8.270 nan 0.000 0.465 564 E N -1.370 118.815 120.200 -0.025 0.000 2.734 564 E HA 0.187 4.544 4.350 0.011 0.000 0.211 564 E C -0.253 176.356 176.600 0.014 0.000 0.991 564 E CA 0.416 56.815 56.400 -0.001 0.000 1.065 564 E CB 1.130 30.831 29.700 0.001 0.000 1.047 564 E HN 0.377 nan 8.360 nan 0.000 0.470 565 G N 1.376 110.185 108.800 0.015 0.000 2.323 565 G HA2 -0.291 3.676 3.960 0.011 0.000 0.292 565 G HA3 -0.291 3.676 3.960 0.011 0.000 0.292 565 G C 0.070 174.989 174.900 0.032 0.000 1.040 565 G CA 0.550 45.662 45.100 0.020 0.000 0.942 565 G HN 0.328 nan 8.290 nan 0.000 0.506 566 I N 0.971 121.573 120.570 0.054 0.000 2.330 566 I HA 0.536 4.713 4.170 0.011 0.000 0.289 566 I C 0.967 177.148 176.117 0.107 0.000 1.001 566 I CA -0.614 60.729 61.300 0.072 0.000 1.193 566 I CB 1.479 39.527 38.000 0.079 0.000 1.345 566 I HN 0.330 nan 8.210 nan 0.000 0.461 567 A N 7.162 130.006 122.820 0.040 0.000 2.466 567 A HA 0.449 4.776 4.320 0.011 0.000 0.238 567 A C -0.701 176.912 177.584 0.049 0.000 1.074 567 A CA 0.416 52.428 52.037 -0.041 0.000 0.774 567 A CB 0.134 19.098 19.000 -0.059 0.000 1.015 567 A HN 0.761 nan 8.150 nan 0.000 0.498 568 Y N -1.633 118.680 120.300 0.021 0.000 2.705 568 Y HA 0.775 5.332 4.550 0.013 0.000 0.332 568 Y C -1.331 174.603 175.900 0.057 0.000 1.221 568 Y CA -1.464 56.658 58.100 0.036 0.000 1.059 568 Y CB 1.452 39.935 38.460 0.037 0.000 1.298 568 Y HN 0.448 nan 8.280 nan 0.000 0.459 569 D N 1.893 122.531 120.400 0.398 0.000 2.591 569 D HA 0.212 4.859 4.640 0.011 0.000 0.222 569 D C -1.970 174.499 176.300 0.282 0.000 1.360 569 D CA -0.270 53.933 54.000 0.339 0.000 0.967 569 D CB 2.767 43.717 40.800 0.251 0.000 1.456 569 D HN 0.631 nan 8.370 nan 0.000 0.588 570 L N 2.757 124.111 121.223 0.217 0.000 2.265 570 L HA 0.482 4.829 4.340 0.011 0.000 0.288 570 L C -1.199 175.705 176.870 0.057 0.000 1.058 570 L CA -0.268 54.592 54.840 0.033 0.000 0.809 570 L CB 1.324 43.307 42.059 -0.125 0.000 1.179 570 L HN 0.133 nan 8.230 nan 0.000 0.429 571 V N 4.265 124.198 119.914 0.032 0.000 2.482 571 V HA 0.459 4.586 4.120 0.011 0.000 0.295 571 V C -0.128 175.947 176.094 -0.031 0.000 1.026 571 V CA -0.524 61.813 62.300 0.062 0.000 0.856 571 V CB 1.641 33.545 31.823 0.135 0.000 1.001 571 V HN 0.872 nan 8.190 nan 0.000 0.424 572 S N 4.644 120.304 115.700 -0.067 0.000 2.537 572 S HA 0.730 5.207 4.470 0.011 0.000 0.275 572 S C -0.486 174.072 174.600 -0.069 0.000 1.272 572 S CA -0.557 57.590 58.200 -0.087 0.000 1.050 572 S CB 1.612 64.749 63.200 -0.104 0.000 0.961 572 S HN 0.457 nan 8.310 nan 0.000 0.496 573 V N 3.589 123.478 119.914 -0.042 0.000 2.547 573 V HA 0.561 4.688 4.120 0.011 0.000 0.299 573 V C 0.341 176.412 176.094 -0.038 0.000 1.040 573 V CA -0.859 61.415 62.300 -0.044 0.000 0.913 573 V CB 1.581 33.402 31.823 -0.004 0.000 0.992 573 V HN 0.902 nan 8.190 nan 0.000 0.449 574 R N 2.735 123.201 120.500 -0.056 0.000 2.335 574 R HA 0.344 4.691 4.340 0.011 0.000 0.302 574 R C 0.755 177.041 176.300 -0.024 0.000 1.147 574 R CA -0.373 55.703 56.100 -0.041 0.000 1.111 574 R CB 1.113 31.378 30.300 -0.060 0.000 1.122 574 R HN 0.753 nan 8.270 nan 0.000 0.557 575 K N 0.222 120.620 120.400 -0.003 0.000 2.032 575 K HA -0.105 4.222 4.320 0.011 0.000 0.209 575 K C 0.923 177.530 176.600 0.011 0.000 1.048 575 K CA 1.528 57.821 56.287 0.010 0.000 0.927 575 K CB -0.001 32.513 32.500 0.023 0.000 0.712 575 K HN 0.435 nan 8.250 nan 0.000 0.441 576 S N -1.353 114.353 115.700 0.010 0.000 2.536 576 S HA 0.568 5.044 4.470 0.011 0.000 0.298 576 S C 0.545 175.150 174.600 0.009 0.000 1.083 576 S CA -0.378 57.831 58.200 0.016 0.000 0.995 576 S CB 1.839 65.055 63.200 0.026 0.000 1.058 576 S HN 0.476 nan 8.310 nan 0.000 0.488 577 G N 0.984 109.793 108.800 0.014 0.000 2.176 577 G HA2 -0.145 3.822 3.960 0.011 0.000 0.252 577 G HA3 -0.145 3.822 3.960 0.011 0.000 0.252 577 G C 0.724 175.623 174.900 -0.001 0.000 1.024 577 G CA 0.070 45.178 45.100 0.013 0.000 0.755 577 G HN 1.575 nan 8.290 nan 0.000 0.507 578 G N -0.669 108.124 108.800 -0.012 0.000 3.042 578 G HA2 0.609 4.576 3.960 0.011 0.000 0.212 578 G HA3 0.609 4.576 3.960 0.011 0.000 0.212 578 G C 1.153 176.041 174.900 -0.020 0.000 1.166 578 G CA 1.374 46.456 45.100 -0.030 0.000 0.767 578 G HN 2.067 nan 8.290 nan 0.000 0.546 579 G N -0.471 108.327 108.800 -0.002 0.000 2.541 579 G HA2 0.032 3.999 3.960 0.011 0.000 0.686 579 G HA3 0.032 3.999 3.960 0.011 0.000 0.686 579 G C -0.785 174.094 174.900 -0.036 0.000 1.286 579 G CA -0.989 44.114 45.100 0.005 0.000 0.894 579 G HN 0.527 nan 8.290 nan 0.000 0.575 580 R N -1.439 119.015 120.500 -0.076 0.000 2.888 580 R HA 0.792 5.139 4.340 0.011 0.000 0.266 580 R C -1.143 174.913 176.300 -0.406 0.000 1.020 580 R CA -0.981 54.985 56.100 -0.223 0.000 0.963 580 R CB 2.470 32.641 30.300 -0.215 0.000 1.197 580 R HN 0.527 nan 8.270 nan 0.000 0.481 581 V N 2.124 121.712 119.914 -0.544 0.000 2.531 581 V HA 0.427 4.554 4.120 0.011 0.000 0.301 581 V C -1.515 174.230 176.094 -0.581 0.000 1.034 581 V CA -0.746 61.272 62.300 -0.470 0.000 0.865 581 V CB 1.439 33.119 31.823 -0.238 0.000 0.995 581 V HN 0.557 nan 8.190 nan 0.000 0.424 582 Y N 5.665 126.023 120.300 0.096 0.000 2.376 582 Y HA 0.559 5.116 4.550 0.012 0.000 0.340 582 Y C -2.258 173.702 175.900 0.100 0.000 0.965 582 Y CA -3.199 54.996 58.100 0.157 0.000 1.078 582 Y CB 1.984 40.660 38.460 0.360 0.000 1.193 582 Y HN 0.407 nan 8.280 nan 0.000 0.452 583 P HA 0.024 nan 4.420 nan 0.000 0.275 583 P C 0.794 178.164 177.300 0.117 0.000 1.227 583 P CA -0.083 63.023 63.100 0.011 0.000 0.781 583 P CB 2.074 33.712 31.700 -0.103 0.000 0.906 584 V N -0.001 119.856 119.914 -0.094 0.000 2.307 584 V HA 0.011 4.138 4.120 0.011 0.000 0.245 584 V C 1.002 177.140 176.094 0.074 0.000 1.045 584 V CA 2.138 64.355 62.300 -0.138 0.000 1.024 584 V CB -2.079 29.517 31.823 -0.378 0.000 0.651 584 V HN 0.692 nan 8.190 nan 0.000 0.449 585 Q N -0.922 118.893 119.800 0.025 0.000 2.444 585 Q HA 0.625 4.971 4.340 0.011 0.000 0.239 585 Q C -0.146 175.871 176.000 0.029 0.000 0.853 585 Q CA 0.610 56.448 55.803 0.057 0.000 0.856 585 Q CB 0.790 29.552 28.738 0.040 0.000 1.413 585 Q HN 2.081 nan 8.270 nan 0.000 0.437 586 G N 0.777 109.607 108.800 0.051 0.000 2.225 586 G HA2 0.191 4.158 3.960 0.011 0.000 0.203 586 G HA3 0.191 4.158 3.960 0.011 0.000 0.203 586 G C -0.710 174.187 174.900 -0.005 0.000 1.335 586 G CA -0.134 44.980 45.100 0.023 0.000 1.183 586 G HN 0.781 nan 8.290 nan 0.000 0.488 587 R N -0.942 119.531 120.500 -0.044 0.000 2.902 587 R HA 0.782 5.129 4.340 0.011 0.000 0.258 587 R C -0.519 175.700 176.300 -0.135 0.000 1.071 587 R CA -0.856 55.185 56.100 -0.099 0.000 1.024 587 R CB 1.347 31.615 30.300 -0.054 0.000 1.184 587 R HN 0.439 nan 8.270 nan 0.000 0.492 588 L N 1.096 122.208 121.223 -0.184 0.000 2.325 588 L HA 0.589 4.936 4.340 0.011 0.000 0.279 588 L C -0.186 176.623 176.870 -0.101 0.000 1.054 588 L CA -0.547 54.194 54.840 -0.166 0.000 0.804 588 L CB 1.797 43.719 42.059 -0.229 0.000 1.200 588 L HN 0.664 nan 8.230 nan 0.000 0.436 589 A N 1.780 124.553 122.820 -0.078 0.000 2.354 589 A HA 0.491 4.818 4.320 0.011 0.000 0.321 589 A C -0.864 176.693 177.584 -0.045 0.000 1.125 589 A CA -0.738 51.276 52.037 -0.039 0.000 0.799 589 A CB 0.951 19.938 19.000 -0.022 0.000 1.293 589 A HN 0.647 nan 8.150 nan 0.000 0.452 590 D N 0.133 120.537 120.400 0.005 0.000 2.382 590 D HA 0.376 5.023 4.640 0.011 0.000 0.240 590 D C 1.219 177.383 176.300 -0.228 0.000 1.146 590 D CA 1.882 55.888 54.000 0.010 0.000 0.897 590 D CB 0.779 41.703 40.800 0.205 0.000 1.197 590 D HN 1.237 nan 8.370 nan 0.000 0.432 591 G N 1.698 110.093 108.800 -0.675 0.000 2.273 591 G HA2 -0.282 3.685 3.960 0.011 0.000 0.280 591 G HA3 -0.282 3.685 3.960 0.011 0.000 0.280 591 G C 0.202 174.732 174.900 -0.616 0.000 1.047 591 G CA 0.070 44.180 45.100 -1.649 0.000 0.869 591 G HN 0.457 nan 8.290 nan 0.000 0.502 592 L N 0.669 121.712 121.223 -0.299 0.000 2.315 592 L HA 0.618 4.965 4.340 0.011 0.000 0.283 592 L C 0.297 177.160 176.870 -0.012 0.000 1.089 592 L CA -1.349 53.421 54.840 -0.116 0.000 0.833 592 L CB 0.403 42.397 42.059 -0.108 0.000 1.170 592 L HN 0.284 nan 8.230 nan 0.000 0.442 593 Y N 5.545 125.809 120.300 -0.059 0.000 2.353 593 Y HA 0.504 5.060 4.550 0.011 0.000 0.340 593 Y C -1.045 174.908 175.900 0.088 0.000 0.972 593 Y CA -0.920 57.203 58.100 0.039 0.000 1.157 593 Y CB 1.209 39.690 38.460 0.035 0.000 1.157 593 Y HN 0.239 nan 8.280 nan 0.000 0.495 594 V N 10.013 129.786 119.914 -0.235 0.000 2.275 594 V HA 0.332 4.459 4.120 0.011 0.000 0.272 594 V C -2.200 173.704 176.094 -0.316 0.000 1.028 594 V CA -2.081 60.031 62.300 -0.313 0.000 0.810 594 V CB 0.686 32.419 31.823 -0.149 0.000 1.043 594 V HN 0.743 nan 8.190 nan 0.000 0.453 595 P HA 0.129 nan 4.420 nan 0.000 0.268 595 P C 0.347 177.620 177.300 -0.046 0.000 1.208 595 P CA 0.271 63.248 63.100 -0.204 0.000 0.777 595 P CB 0.999 32.633 31.700 -0.109 0.000 0.875 596 L N 0.291 121.547 121.223 0.054 0.000 3.316 596 L HA 0.419 4.766 4.340 0.011 0.000 0.300 596 L C 0.308 177.209 176.870 0.052 0.000 1.128 596 L CA 0.469 55.333 54.840 0.040 0.000 1.111 596 L CB 0.535 42.616 42.059 0.037 0.000 1.687 596 L HN 0.365 nan 8.230 nan 0.000 0.594 597 E N -1.633 118.608 120.200 0.068 0.000 2.388 597 E HA 0.199 4.555 4.350 0.011 0.000 0.269 597 E C 0.336 176.974 176.600 0.063 0.000 1.172 597 E CA 0.530 56.961 56.400 0.052 0.000 0.887 597 E CB 0.293 30.004 29.700 0.017 0.000 1.544 597 E HN -0.037 nan 8.360 nan 0.000 0.451 598 D N 1.017 121.443 120.400 0.042 0.000 2.797 598 D HA -0.301 4.346 4.640 0.011 0.000 0.222 598 D C 1.177 177.524 176.300 0.077 0.000 1.070 598 D CA 2.609 56.636 54.000 0.045 0.000 0.926 598 D CB -0.513 40.299 40.800 0.020 0.000 1.136 598 D HN 0.265 nan 8.370 nan 0.000 0.487 599 K N -0.104 120.348 120.400 0.088 0.000 2.402 599 K HA 0.159 4.486 4.320 0.011 0.000 0.203 599 K C 1.039 177.769 176.600 0.218 0.000 1.077 599 K CA 0.735 57.113 56.287 0.152 0.000 1.051 599 K CB 1.037 33.611 32.500 0.123 0.000 0.907 599 K HN 0.765 nan 8.250 nan 0.000 0.554 600 T N -0.413 114.231 114.554 0.149 0.000 2.847 600 T HA 0.601 4.958 4.350 0.011 0.000 0.279 600 T C 0.068 174.929 174.700 0.268 0.000 0.984 600 T CA -0.612 61.564 62.100 0.127 0.000 0.988 600 T CB 0.613 69.478 68.868 -0.004 0.000 1.040 600 T HN 0.097 nan 8.240 nan 0.000 0.528 601 F N -1.361 118.615 119.950 0.044 0.000 2.744 601 F HA 0.663 5.197 4.527 0.012 0.000 0.311 601 F C -2.238 173.583 175.800 0.036 0.000 1.144 601 F CA -1.678 56.347 58.000 0.041 0.000 0.938 601 F CB 0.798 39.887 39.000 0.149 0.000 1.292 601 F HN 0.607 nan 8.300 nan 0.000 0.444 602 L N 2.688 123.982 121.223 0.120 0.000 2.344 602 L HA 0.765 5.112 4.340 0.011 0.000 0.272 602 L C -1.259 175.727 176.870 0.194 0.000 1.035 602 L CA -1.275 53.577 54.840 0.021 0.000 0.807 602 L CB 1.878 43.928 42.059 -0.016 0.000 1.237 602 L HN 0.749 nan 8.230 nan 0.000 0.442 603 L N 3.323 124.611 121.223 0.109 0.000 2.482 603 L HA 0.464 4.811 4.340 0.011 0.000 0.269 603 L C -1.330 175.563 176.870 0.039 0.000 0.967 603 L CA -0.114 54.822 54.840 0.160 0.000 0.851 603 L CB 1.703 43.920 42.059 0.262 0.000 1.242 603 L HN 0.478 nan 8.230 nan 0.000 0.404 604 L N 4.774 125.986 121.223 -0.018 0.000 2.281 604 L HA 0.414 4.761 4.340 0.011 0.000 0.285 604 L C 0.393 177.236 176.870 -0.046 0.000 1.074 604 L CA 0.155 54.969 54.840 -0.043 0.000 0.817 604 L CB 1.251 43.264 42.059 -0.077 0.000 1.168 604 L HN 0.893 nan 8.230 nan 0.000 0.434 605 T N 2.906 117.481 114.554 0.035 0.000 3.034 605 T HA 0.173 4.530 4.350 0.011 0.000 0.248 605 T C 0.141 174.943 174.700 0.170 0.000 1.040 605 T CA 0.152 62.334 62.100 0.137 0.000 1.107 605 T CB 0.419 69.379 68.868 0.154 0.000 0.932 605 T HN 0.303 nan 8.240 nan 0.000 0.474 606 V N 0.854 120.832 119.914 0.106 0.000 2.531 606 V HA 0.566 4.693 4.120 0.011 0.000 0.301 606 V C 1.038 177.171 176.094 0.064 0.000 1.034 606 V CA -0.695 61.675 62.300 0.115 0.000 0.865 606 V CB 1.042 32.931 31.823 0.109 0.000 0.995 606 V HN 0.567 nan 8.190 nan 0.000 0.424 607 H N 3.357 122.465 119.070 0.063 0.000 2.329 607 H HA 0.257 4.820 4.556 0.011 0.000 0.306 607 H C 1.731 177.069 175.328 0.016 0.000 1.062 607 H CA 1.340 57.397 56.048 0.016 0.000 1.364 607 H CB 0.034 29.805 29.762 0.014 0.000 1.409 607 H HN 0.781 nan 8.280 nan 0.000 0.519 608 R N 1.811 122.337 120.500 0.045 0.000 4.792 608 R HA 0.418 4.765 4.340 0.011 0.000 0.205 608 R C 0.789 177.127 176.300 0.063 0.000 1.875 608 R CA 0.707 56.838 56.100 0.052 0.000 1.588 608 R CB -2.082 28.254 30.300 0.059 0.000 1.401 608 R HN 0.930 nan 8.270 nan 0.000 0.834 609 D N -0.446 119.987 120.400 0.056 0.000 2.652 609 D HA 0.504 5.151 4.640 0.011 0.000 0.247 609 D C 0.627 176.978 176.300 0.084 0.000 1.232 609 D CA 0.619 54.659 54.000 0.067 0.000 0.863 609 D CB -1.696 39.138 40.800 0.056 0.000 1.023 609 D HN 1.909 nan 8.370 nan 0.000 0.474 610 F N -2.455 117.548 119.950 0.089 0.000 2.183 610 F HA 0.237 4.771 4.527 0.011 0.000 0.318 610 F C 1.930 177.803 175.800 0.122 0.000 0.769 610 F CA 0.590 58.650 58.000 0.100 0.000 0.912 610 F CB -1.415 37.638 39.000 0.089 0.000 4.135 610 F HN 0.999 nan 8.300 nan 0.000 0.137 611 R N 0.130 120.695 120.500 0.109 0.000 2.316 611 R HA 0.378 4.725 4.340 0.011 0.000 0.232 611 R C 2.458 178.835 176.300 0.128 0.000 1.137 611 R CA 3.060 59.227 56.100 0.111 0.000 1.012 611 R CB -1.251 nan 30.300 nan 0.000 0.859 611 R HN 2.779 nan 8.270 nan 0.000 0.474 612 G N -2.205 106.679 108.800 0.140 0.000 3.247 612 G HA2 0.439 4.406 3.960 0.011 0.000 0.163 612 G HA3 0.439 4.406 3.960 0.011 0.000 0.163 612 G C -0.372 174.649 174.900 0.202 0.000 1.206 612 G CA 0.556 45.748 45.100 0.154 0.000 0.918 612 G HN 0.424 nan 8.290 nan 0.000 0.625 613 T N 1.803 116.476 114.554 0.199 0.000 2.824 613 T HA 0.607 4.964 4.350 0.011 0.000 0.282 613 T C -2.619 172.162 174.700 0.136 0.000 0.993 613 T CA -1.523 60.718 62.100 0.235 0.000 0.967 613 T CB 1.555 70.618 68.868 0.325 0.000 0.960 613 T HN 0.311 nan 8.240 nan 0.000 0.441 614 P HA 0.053 nan 4.420 nan 0.000 0.264 614 P C -0.872 176.438 177.300 0.015 0.000 1.173 614 P CA 0.102 63.222 63.100 0.034 0.000 0.761 614 P CB 0.406 32.098 31.700 -0.014 0.000 0.794 615 R N 3.621 124.132 120.500 0.018 0.000 2.312 615 R HA 0.337 4.684 4.340 0.011 0.000 0.310 615 R C -1.894 174.404 176.300 -0.004 0.000 1.064 615 R CA -1.793 54.312 56.100 0.009 0.000 0.983 615 R CB 1.034 31.351 30.300 0.028 0.000 1.139 615 R HN 0.456 nan 8.270 nan 0.000 0.536 616 P HA 0.014 nan 4.420 nan 0.000 0.272 616 P C -0.333 176.952 177.300 -0.026 0.000 1.223 616 P CA -0.116 62.967 63.100 -0.029 0.000 0.784 616 P CB 1.043 32.711 31.700 -0.052 0.000 0.923 617 L N 1.519 122.729 121.223 -0.022 0.000 2.395 617 L HA 0.322 4.669 4.340 0.011 0.000 0.269 617 L C 1.068 177.874 176.870 -0.106 0.000 1.133 617 L CA -0.295 54.518 54.840 -0.044 0.000 0.812 617 L CB 0.278 42.323 42.059 -0.023 0.000 1.125 617 L HN 0.396 nan 8.230 nan 0.000 0.452 618 K N 3.279 123.597 120.400 -0.136 0.000 2.389 618 K HA 0.540 4.867 4.320 0.011 0.000 0.261 618 K C -1.441 174.983 176.600 -0.293 0.000 1.014 618 K CA -0.566 55.599 56.287 -0.203 0.000 0.920 618 K CB 0.773 33.194 32.500 -0.132 0.000 1.149 618 K HN 0.330 nan 8.250 nan 0.000 0.444 619 L N 3.547 124.425 121.223 -0.576 0.000 2.331 619 L HA 0.548 4.894 4.340 0.011 0.000 0.275 619 L C -0.772 175.832 176.870 -0.444 0.000 1.022 619 L CA -0.925 53.547 54.840 -0.613 0.000 0.812 619 L CB 1.950 43.426 42.059 -0.972 0.000 1.257 619 L HN 0.247 nan 8.230 nan 0.000 0.435 620 V N 0.664 120.480 119.914 -0.163 0.000 2.525 620 V HA 0.243 4.370 4.120 0.011 0.000 0.299 620 V C -0.915 175.248 176.094 0.116 0.000 1.034 620 V CA -0.680 61.614 62.300 -0.009 0.000 0.863 620 V CB 1.431 33.226 31.823 -0.045 0.000 0.999 620 V HN 0.681 nan 8.190 nan 0.000 0.423 621 H N 3.349 122.478 119.070 0.098 0.000 3.004 621 H HA 0.298 4.860 4.556 0.011 0.000 0.267 621 H C 0.850 176.202 175.328 0.040 0.000 1.165 621 H CA 0.142 56.249 56.048 0.097 0.000 1.450 621 H CB 0.696 30.540 29.762 0.137 0.000 1.488 621 H HN 0.724 nan 8.280 nan 0.000 0.478 622 E N 2.974 123.119 120.200 -0.092 0.000 2.415 622 E HA 0.299 4.656 4.350 0.011 0.000 0.197 622 E C -0.192 176.285 176.600 -0.205 0.000 1.007 622 E CA 0.381 56.695 56.400 -0.143 0.000 0.890 622 E CB 0.674 30.305 29.700 -0.114 0.000 0.891 622 E HN 0.579 nan 8.360 nan 0.000 0.496 623 A N 0.475 123.124 122.820 -0.285 0.000 2.574 623 A HA 0.688 5.015 4.320 0.011 0.000 0.297 623 A C -0.232 177.229 177.584 -0.206 0.000 1.062 623 A CA -0.139 51.806 52.037 -0.152 0.000 0.686 623 A CB 1.482 20.532 19.000 0.083 0.000 1.285 623 A HN 0.142 nan 8.150 nan 0.000 0.403 624 G N 0.855 109.570 108.800 -0.141 0.000 2.612 624 G HA2 0.408 4.375 3.960 0.011 0.000 0.686 624 G HA3 0.408 4.375 3.960 0.011 0.000 0.686 624 G C -1.022 173.898 174.900 0.034 0.000 1.274 624 G CA 0.006 45.046 45.100 -0.099 0.000 0.849 624 G HN 1.940 nan 8.290 nan 0.000 0.595 625 D N -0.783 119.657 120.400 0.066 0.000 2.434 625 D HA 0.556 5.202 4.640 0.011 0.000 0.275 625 D C -0.078 176.260 176.300 0.063 0.000 1.172 625 D CA -0.435 53.623 54.000 0.097 0.000 0.916 625 D CB 1.332 42.129 40.800 -0.004 0.000 1.041 625 D HN 0.444 nan 8.370 nan 0.000 0.501 626 T N 1.022 115.621 114.554 0.076 0.000 2.912 626 T HA 0.473 4.830 4.350 0.011 0.000 0.299 626 T C -2.666 171.929 174.700 -0.174 0.000 1.052 626 T CA -1.539 60.512 62.100 -0.082 0.000 0.996 626 T CB 1.821 70.621 68.868 -0.114 0.000 1.070 626 T HN 0.017 nan 8.240 nan 0.000 0.465 627 P HA 0.155 nan 4.420 nan 0.000 0.265 627 P C 0.920 178.047 177.300 -0.288 0.000 1.187 627 P CA -0.110 62.880 63.100 -0.184 0.000 0.766 627 P CB 0.513 32.107 31.700 -0.177 0.000 0.820 628 L N 2.084 123.142 121.223 -0.276 0.000 2.127 628 L HA -0.242 4.104 4.340 0.011 0.000 0.211 628 L C 1.838 178.322 176.870 -0.643 0.000 1.089 628 L CA 1.765 56.360 54.840 -0.408 0.000 0.757 628 L CB -0.515 41.414 42.059 -0.217 0.000 0.899 628 L HN 0.444 nan 8.230 nan 0.000 0.434 629 E N 0.209 120.092 120.200 -0.529 0.000 2.072 629 E HA -0.153 4.204 4.350 0.011 0.000 0.191 629 E C 2.247 178.526 176.600 -0.534 0.000 0.985 629 E CA 1.144 57.098 56.400 -0.744 0.000 0.801 629 E CB -0.365 29.043 29.700 -0.486 0.000 0.750 629 E HN 0.440 nan 8.360 nan 0.000 0.452 630 A N 1.069 123.670 122.820 -0.365 0.000 1.865 630 A HA -0.175 4.152 4.320 0.011 0.000 0.217 630 A C 2.058 179.530 177.584 -0.187 0.000 1.191 630 A CA 1.227 53.117 52.037 -0.245 0.000 0.623 630 A CB -0.638 18.244 19.000 -0.196 0.000 0.826 630 A HN 0.146 nan 8.150 nan 0.000 0.444 631 L N -0.356 120.715 121.223 -0.253 0.000 1.976 631 L HA -0.137 4.210 4.340 0.011 0.000 0.209 631 L C 3.077 179.858 176.870 -0.149 0.000 1.071 631 L CA 2.031 56.767 54.840 -0.172 0.000 0.746 631 L CB -1.493 40.447 42.059 -0.198 0.000 0.890 631 L HN 0.425 nan 8.230 nan 0.000 0.432 632 A N -1.250 121.345 122.820 -0.376 0.000 1.896 632 A HA -0.362 3.965 4.320 0.011 0.000 0.220 632 A C 2.382 179.900 177.584 -0.111 0.000 1.206 632 A CA 2.305 54.164 52.037 -0.296 0.000 0.647 632 A CB -1.244 17.219 19.000 -0.894 0.000 0.828 632 A HN 0.657 nan 8.150 nan 0.000 0.455 633 H N -0.465 118.429 119.070 -0.293 0.000 2.265 633 H HA -0.252 4.312 4.556 0.012 0.000 0.293 633 H C 2.314 177.478 175.328 -0.273 0.000 1.089 633 H CA 2.571 58.473 56.048 -0.245 0.000 1.244 633 H CB -0.237 29.353 29.762 -0.286 0.000 1.355 633 H HN 0.727 nan 8.280 nan 0.000 0.485 634 Q N 0.323 120.067 119.800 -0.094 0.000 2.050 634 Q HA -0.098 4.249 4.340 0.011 0.000 0.202 634 Q C 2.680 178.581 176.000 -0.165 0.000 0.980 634 Q CA 1.789 57.510 55.803 -0.137 0.000 0.840 634 Q CB -0.084 28.650 28.738 -0.007 0.000 0.898 634 Q HN 0.547 nan 8.270 nan 0.000 0.424 635 I N 0.435 120.983 120.570 -0.038 0.000 2.208 635 I HA -0.243 3.934 4.170 0.011 0.000 0.245 635 I C 2.224 178.391 176.117 0.083 0.000 1.097 635 I CA 1.103 62.423 61.300 0.034 0.000 1.363 635 I CB -0.448 37.625 38.000 0.122 0.000 1.051 635 I HN 0.346 nan 8.210 nan 0.000 0.413 636 F N 1.585 121.503 119.950 -0.053 0.000 2.186 636 F HA -0.187 4.347 4.527 0.011 0.000 0.299 636 F C 2.466 178.274 175.800 0.013 0.000 1.090 636 F CA 1.628 59.625 58.000 -0.005 0.000 1.307 636 F CB -0.786 38.227 39.000 0.022 0.000 1.019 636 F HN 0.144 nan 8.300 nan 0.000 0.489 637 H N -0.409 118.387 119.070 -0.456 0.000 2.403 637 H HA -0.008 4.555 4.556 0.011 0.000 0.298 637 H C 2.290 177.330 175.328 -0.480 0.000 1.059 637 H CA 1.000 56.678 56.048 -0.616 0.000 1.363 637 H CB -0.085 29.395 29.762 -0.470 0.000 1.410 637 H HN 0.262 nan 8.280 nan 0.000 0.528 638 L N 0.398 121.489 121.223 -0.219 0.000 2.261 638 L HA -0.176 4.171 4.340 0.011 0.000 0.216 638 L C 2.392 179.161 176.870 -0.169 0.000 1.114 638 L CA 0.880 55.606 54.840 -0.191 0.000 0.777 638 L CB -0.389 41.595 42.059 -0.125 0.000 0.910 638 L HN 0.275 nan 8.230 nan 0.000 0.440 639 T N -0.749 113.683 114.554 -0.202 0.000 2.759 639 T HA -0.179 4.178 4.350 0.011 0.000 0.269 639 T C 1.678 176.182 174.700 -0.327 0.000 1.042 639 T CA 1.243 63.222 62.100 -0.202 0.000 1.140 639 T CB -0.107 68.662 68.868 -0.164 0.000 0.864 639 T HN 0.181 nan 8.240 nan 0.000 0.455 640 R N 0.742 120.889 120.500 -0.589 0.000 2.356 640 R HA 0.288 4.635 4.340 0.011 0.000 0.234 640 R C 0.999 177.112 176.300 -0.311 0.000 0.929 640 R CA 0.025 55.583 56.100 -0.905 0.000 1.084 640 R CB -0.182 29.311 30.300 -1.345 0.000 1.105 640 R HN 0.217 nan 8.270 nan 0.000 0.515 641 L N 0.460 121.583 121.223 -0.167 0.000 2.728 641 L HA 0.217 4.563 4.340 0.011 0.000 0.235 641 L C -0.727 176.185 176.870 0.070 0.000 1.197 641 L CA 0.042 54.841 54.840 -0.068 0.000 0.992 641 L CB -0.408 41.588 42.059 -0.104 0.000 1.263 641 L HN 0.177 nan 8.230 nan 0.000 0.484 642 Y N 2.933 123.226 120.300 -0.011 0.000 2.404 642 Y HA 0.309 4.864 4.550 0.008 0.000 0.344 642 Y C -1.240 174.671 175.900 0.018 0.000 0.970 642 Y CA -2.802 55.314 58.100 0.027 0.000 1.180 642 Y CB 0.822 39.299 38.460 0.028 0.000 1.138 642 Y HN 0.042 nan 8.280 nan 0.000 0.510 643 P HA -0.234 nan 4.420 nan 0.000 0.217 643 P C 0.126 177.132 177.300 -0.490 0.000 1.162 643 P CA 1.693 64.552 63.100 -0.402 0.000 0.901 643 P CB 0.058 31.558 31.700 -0.333 0.000 0.793 644 A N -0.783 121.549 122.820 -0.812 0.000 2.272 644 A HA 0.432 4.759 4.320 0.011 0.000 0.275 644 A C 0.586 178.003 177.584 -0.278 0.000 1.096 644 A CA 0.438 52.195 52.037 -0.467 0.000 0.822 644 A CB -0.178 18.622 19.000 -0.333 0.000 1.088 644 A HN 0.222 nan 8.150 nan 0.000 0.495 645 S N -0.764 114.877 115.700 -0.099 0.000 3.681 645 S HA -0.102 4.375 4.470 0.011 0.000 0.473 645 S C 0.740 175.203 174.600 -0.229 0.000 0.830 645 S CA 0.839 59.020 58.200 -0.032 0.000 1.355 645 S CB -1.413 61.886 63.200 0.165 0.000 0.892 645 S HN 2.253 nan 8.310 nan 0.000 0.649 646 G N 1.241 109.726 108.800 -0.524 0.000 3.379 646 G HA2 0.451 4.418 3.960 0.011 0.000 0.253 646 G HA3 0.451 4.418 3.960 0.011 0.000 0.253 646 G C 0.245 174.409 174.900 -1.227 0.000 1.262 646 G CA 0.071 44.679 45.100 -0.821 0.000 0.959 646 G HN 0.639 nan 8.290 nan 0.000 0.524 647 F N -0.637 119.133 119.950 -0.299 0.000 2.974 647 F HA 0.552 5.086 4.527 0.011 0.000 0.357 647 F C 0.640 176.267 175.800 -0.289 0.000 1.114 647 F CA -0.652 57.165 58.000 -0.305 0.000 1.099 647 F CB 0.600 39.410 39.000 -0.317 0.000 1.205 647 F HN 0.192 nan 8.300 nan 0.000 0.535 648 A N 0.200 122.900 122.820 -0.201 0.000 2.517 648 A HA 0.685 5.012 4.320 0.011 0.000 0.297 648 A C -1.416 176.050 177.584 -0.196 0.000 1.050 648 A CA -0.398 51.536 52.037 -0.172 0.000 0.694 648 A CB 0.709 19.715 19.000 0.011 0.000 1.277 648 A HN 0.071 nan 8.150 nan 0.000 0.400 649 F N 1.887 121.849 119.950 0.020 0.000 2.399 649 F HA 0.508 5.041 4.527 0.010 0.000 0.334 649 F C -1.817 173.944 175.800 -0.066 0.000 1.097 649 F CA -1.848 56.140 58.000 -0.019 0.000 1.076 649 F CB 1.513 40.499 39.000 -0.023 0.000 1.162 649 F HN 0.334 nan 8.300 nan 0.000 0.495 650 P HA 0.144 nan 4.420 nan 0.000 0.272 650 P C 0.286 177.552 177.300 -0.058 0.000 1.223 650 P CA -0.323 62.644 63.100 -0.223 0.000 0.784 650 P CB 0.859 32.130 31.700 -0.715 0.000 0.923 651 R N 1.243 121.725 120.500 -0.030 0.000 2.119 651 R HA 0.017 4.364 4.340 0.011 0.000 0.222 651 R C 0.280 176.598 176.300 0.030 0.000 1.088 651 R CA 0.892 57.012 56.100 0.033 0.000 0.984 651 R CB -0.238 30.089 30.300 0.046 0.000 0.884 651 R HN 0.279 nan 8.270 nan 0.000 0.447 652 L N 0.921 122.147 121.223 0.005 0.000 2.416 652 L HA 0.400 4.747 4.340 0.011 0.000 0.262 652 L C -2.161 174.709 176.870 -0.000 0.000 1.093 652 L CA -2.335 52.523 54.840 0.029 0.000 0.801 652 L CB 0.852 42.956 42.059 0.074 0.000 1.191 652 L HN -0.045 nan 8.230 nan 0.000 0.459 653 P HA 0.100 nan 4.420 nan 0.000 0.271 653 P C -0.025 177.293 177.300 0.030 0.000 1.216 653 P CA -0.061 63.045 63.100 0.010 0.000 0.776 653 P CB 0.889 32.605 31.700 0.026 0.000 0.881 654 A N 6.248 129.082 122.820 0.023 0.000 1.909 654 A HA -0.221 4.106 4.320 0.011 0.000 0.221 654 A C -0.472 177.194 177.584 0.136 0.000 1.223 654 A CA 2.325 54.425 52.037 0.106 0.000 0.658 654 A CB -2.614 16.456 19.000 0.117 0.000 0.831 654 A HN 0.505 nan 8.150 nan 0.000 0.462 655 P HA -0.166 nan 4.420 nan 0.000 0.214 655 P C 1.553 178.899 177.300 0.077 0.000 1.163 655 P CA 1.161 64.306 63.100 0.075 0.000 0.889 655 P CB -0.157 31.568 31.700 0.041 0.000 0.790 656 L N -2.501 118.772 121.223 0.084 0.000 2.156 656 L HA -0.175 4.172 4.340 0.011 0.000 0.208 656 L C 2.614 179.525 176.870 0.068 0.000 1.095 656 L CA 1.345 56.236 54.840 0.085 0.000 0.770 656 L CB -0.857 41.257 42.059 0.092 0.000 0.914 656 L HN 0.077 nan 8.230 nan 0.000 0.439 657 H N 0.129 119.178 119.070 -0.035 0.000 2.357 657 H HA -0.109 4.458 4.556 0.019 0.000 0.301 657 H C 2.148 177.443 175.328 -0.055 0.000 1.082 657 H CA 1.536 57.517 56.048 -0.112 0.000 1.342 657 H CB 0.108 29.702 29.762 -0.281 0.000 1.389 657 H HN 0.130 nan 8.280 nan 0.000 0.511 658 L N -0.521 120.757 121.223 0.091 0.000 2.156 658 L HA -0.038 4.309 4.340 0.011 0.000 0.208 658 L C 2.719 179.583 176.870 -0.010 0.000 1.095 658 L CA 0.905 55.872 54.840 0.211 0.000 0.770 658 L CB -0.426 41.864 42.059 0.386 0.000 0.914 658 L HN 0.381 nan 8.230 nan 0.000 0.439 659 A N -0.194 122.593 122.820 -0.054 0.000 1.969 659 A HA -0.263 4.064 4.320 0.011 0.000 0.218 659 A C 1.970 179.456 177.584 -0.163 0.000 1.169 659 A CA 1.913 53.870 52.037 -0.133 0.000 0.635 659 A CB -0.552 18.433 19.000 -0.026 0.000 0.810 659 A HN 0.453 nan 8.150 nan 0.000 0.445 660 D N -0.547 119.776 120.400 -0.128 0.000 2.144 660 D HA -0.158 4.489 4.640 0.011 0.000 0.200 660 D C 2.089 178.294 176.300 -0.158 0.000 0.978 660 D CA 1.204 55.126 54.000 -0.130 0.000 0.833 660 D CB 0.029 40.746 40.800 -0.137 0.000 0.961 660 D HN 0.271 nan 8.370 nan 0.000 0.470 661 R N 0.006 120.397 120.500 -0.181 0.000 2.075 661 R HA 0.016 4.363 4.340 0.011 0.000 0.226 661 R C 2.312 178.473 176.300 -0.233 0.000 1.114 661 R CA 0.364 56.405 56.100 -0.099 0.000 0.972 661 R CB -1.492 28.861 30.300 0.089 0.000 0.869 661 R HN 0.293 nan 8.270 nan 0.000 0.437 662 L N 1.189 122.025 121.223 -0.645 0.000 2.081 662 L HA -0.130 4.216 4.340 0.011 0.000 0.212 662 L C 2.016 178.605 176.870 -0.470 0.000 1.080 662 L CA 1.498 55.670 54.840 -1.112 0.000 0.754 662 L CB -0.330 40.907 42.059 -1.370 0.000 0.893 662 L HN -0.105 nan 8.230 nan 0.000 0.433 663 V N -0.550 119.197 119.914 -0.279 0.000 2.273 663 V HA -0.217 3.910 4.120 0.011 0.000 0.242 663 V C 2.511 178.559 176.094 -0.076 0.000 1.035 663 V CA 1.796 64.012 62.300 -0.139 0.000 1.013 663 V CB -0.559 31.211 31.823 -0.089 0.000 0.652 663 V HN 0.410 nan 8.190 nan 0.000 0.452 664 K N -0.010 120.353 120.400 -0.062 0.000 2.052 664 K HA -0.254 4.073 4.320 0.011 0.000 0.215 664 K C 2.119 178.729 176.600 0.017 0.000 1.053 664 K CA 1.948 58.234 56.287 -0.002 0.000 0.934 664 K CB -0.278 32.224 32.500 0.005 0.000 0.717 664 K HN 0.402 nan 8.250 nan 0.000 0.450 665 E N 0.255 120.452 120.200 -0.006 0.000 2.208 665 E HA -0.120 4.237 4.350 0.011 0.000 0.193 665 E C 2.233 178.868 176.600 0.057 0.000 0.988 665 E CA 1.206 57.625 56.400 0.032 0.000 0.828 665 E CB -0.255 29.484 29.700 0.065 0.000 0.763 665 E HN 0.386 nan 8.360 nan 0.000 0.478 666 V N 0.677 120.604 119.914 0.021 0.000 2.759 666 V HA -0.052 4.075 4.120 0.011 0.000 0.256 666 V C 2.178 178.289 176.094 0.029 0.000 1.080 666 V CA 2.358 64.675 62.300 0.028 0.000 1.101 666 V CB -0.617 31.190 31.823 -0.027 0.000 0.698 666 V HN 0.235 nan 8.190 nan 0.000 0.477 667 G N -1.180 107.645 108.800 0.042 0.000 2.608 667 G HA2 -0.026 3.940 3.960 0.011 0.000 0.210 667 G HA3 -0.026 3.940 3.960 0.011 0.000 0.210 667 G C 1.727 176.686 174.900 0.098 0.000 1.139 667 G CA 0.574 45.716 45.100 0.071 0.000 0.812 667 G HN 0.431 nan 8.290 nan 0.000 0.529 668 R N 0.280 120.836 120.500 0.094 0.000 2.080 668 R HA 0.079 4.426 4.340 0.011 0.000 0.236 668 R C 2.349 178.681 176.300 0.053 0.000 1.137 668 R CA 1.167 57.326 56.100 0.098 0.000 0.943 668 R CB -0.546 29.749 30.300 -0.009 0.000 0.846 668 R HN 0.378 nan 8.270 nan 0.000 0.431 669 L N -1.338 119.902 121.223 0.028 0.000 2.567 669 L HA 0.282 4.629 4.340 0.011 0.000 0.225 669 L C 1.170 178.057 176.870 0.028 0.000 1.119 669 L CA 0.357 55.206 54.840 0.014 0.000 0.871 669 L CB -0.078 41.984 42.059 0.006 0.000 1.036 669 L HN 0.461 nan 8.230 nan 0.000 0.459 670 G N 2.100 110.925 108.800 0.043 0.000 2.233 670 G HA2 -0.314 3.653 3.960 0.011 0.000 0.270 670 G HA3 -0.314 3.653 3.960 0.011 0.000 0.270 670 G C 0.483 175.393 174.900 0.018 0.000 1.011 670 G CA 0.538 45.661 45.100 0.038 0.000 0.762 670 G HN 0.558 nan 8.290 nan 0.000 0.511 671 I N -3.312 117.262 120.570 0.006 0.000 2.668 671 I HA 0.553 4.730 4.170 0.011 0.000 0.285 671 I C 1.418 177.537 176.117 0.004 0.000 1.168 671 I CA 0.132 61.427 61.300 -0.007 0.000 1.424 671 I CB 0.190 38.165 38.000 -0.042 0.000 1.377 671 I HN 0.160 nan 8.210 nan 0.000 0.560 672 R N 4.843 125.355 120.500 0.021 0.000 2.062 672 R HA 0.056 4.402 4.340 0.011 0.000 0.229 672 R C 0.914 177.277 176.300 0.104 0.000 1.128 672 R CA 1.917 58.040 56.100 0.038 0.000 0.960 672 R CB -0.798 29.527 30.300 0.041 0.000 0.855 672 R HN 0.980 nan 8.270 nan 0.000 0.432 673 H N -4.636 114.428 119.070 -0.010 0.000 2.961 673 H HA 0.479 5.049 4.556 0.023 0.000 0.278 673 H C -1.946 173.382 175.328 -0.000 0.000 1.338 673 H CA -0.374 55.684 56.048 0.017 0.000 1.373 673 H CB 1.033 30.824 29.762 0.048 0.000 1.915 673 H HN 0.470 nan 8.280 nan 0.000 0.500 674 L N 2.030 123.504 121.223 0.419 0.000 2.287 674 L HA 0.720 5.066 4.340 0.011 0.000 0.287 674 L C 0.978 177.844 176.870 -0.007 0.000 1.022 674 L CA 0.330 55.239 54.840 0.114 0.000 0.814 674 L CB -0.426 41.666 42.059 0.055 0.000 1.217 674 L HN 1.001 nan 8.230 nan 0.000 0.420 675 K N 2.369 122.722 120.400 -0.078 0.000 1.978 675 K HA 0.474 4.801 4.320 0.011 0.000 0.221 675 K C 0.889 177.471 176.600 -0.030 0.000 1.036 675 K CA 2.064 58.291 56.287 -0.101 0.000 0.996 675 K CB -0.686 31.768 32.500 -0.076 0.000 0.755 675 K HN 2.187 nan 8.250 nan 0.000 0.445 676 E N -0.215 119.980 120.200 -0.008 0.000 2.263 676 E HA 0.547 4.904 4.350 0.011 0.000 0.268 676 E C -0.761 175.879 176.600 0.068 0.000 0.884 676 E CA -0.328 56.096 56.400 0.040 0.000 0.766 676 E CB 1.245 30.957 29.700 0.020 0.000 1.196 676 E HN 1.368 nan 8.360 nan 0.000 0.416 677 V N 0.054 120.072 119.914 0.173 0.000 2.349 677 V HA 0.577 4.704 4.120 0.011 0.000 0.284 677 V C -0.217 176.080 176.094 0.337 0.000 1.014 677 V CA -0.903 61.541 62.300 0.241 0.000 0.826 677 V CB 0.900 32.831 31.823 0.181 0.000 1.009 677 V HN 0.774 nan 8.190 nan 0.000 0.431 678 D N 4.745 125.255 120.400 0.184 0.000 2.586 678 D HA -0.017 4.630 4.640 0.011 0.000 0.234 678 D C 1.363 177.765 176.300 0.171 0.000 1.132 678 D CA 0.485 54.549 54.000 0.106 0.000 0.860 678 D CB 0.932 41.773 40.800 0.068 0.000 1.159 678 D HN 0.633 nan 8.370 nan 0.000 0.490 679 R N 2.935 123.382 120.500 -0.088 0.000 2.249 679 R HA -0.125 4.222 4.340 0.011 0.000 0.230 679 R C 1.068 177.317 176.300 -0.086 0.000 1.121 679 R CA 0.792 56.614 56.100 -0.464 0.000 0.997 679 R CB -0.064 29.715 30.300 -0.869 0.000 0.867 679 R HN 0.632 nan 8.270 nan 0.000 0.465 680 E N 1.043 121.273 120.200 0.050 0.000 2.358 680 E HA -0.043 4.314 4.350 0.011 0.000 0.195 680 E C 0.015 176.717 176.600 0.169 0.000 1.010 680 E CA 0.609 57.070 56.400 0.101 0.000 0.856 680 E CB 0.137 29.879 29.700 0.070 0.000 0.795 680 E HN 0.243 nan 8.360 nan 0.000 0.504 681 K N 1.459 122.016 120.400 0.262 0.000 2.262 681 K HA 0.202 4.529 4.320 0.011 0.000 0.288 681 K C -0.037 176.743 176.600 0.300 0.000 1.090 681 K CA -0.049 56.388 56.287 0.250 0.000 0.918 681 K CB 0.485 33.143 32.500 0.264 0.000 1.139 681 K HN -0.066 nan 8.250 nan 0.000 0.462 682 L N 6.068 127.302 121.223 0.018 0.000 2.384 682 L HA 0.104 4.451 4.340 0.011 0.000 0.258 682 L C 0.930 177.474 176.870 -0.544 0.000 1.266 682 L CA -0.370 54.217 54.840 -0.423 0.000 1.162 682 L CB -0.707 41.045 42.059 -0.512 0.000 1.375 682 L HN 0.710 nan 8.230 nan 0.000 0.420 683 F N 0.501 120.237 119.950 -0.356 0.000 2.365 683 F HA -0.140 4.379 4.527 -0.015 0.000 0.300 683 F C 1.721 177.397 175.800 -0.208 0.000 1.090 683 F CA 0.385 58.254 58.000 -0.217 0.000 1.408 683 F CB -0.712 38.220 39.000 -0.113 0.000 1.060 683 F HN 0.288 nan 8.300 nan 0.000 0.534 684 F N 1.044 120.430 119.950 -0.939 0.000 2.789 684 F HA 0.354 4.898 4.527 0.028 0.000 0.300 684 F C 0.821 176.465 175.800 -0.260 0.000 1.132 684 F CA -1.005 56.614 58.000 -0.634 0.000 1.404 684 F CB -1.680 36.760 39.000 -0.934 0.000 1.114 684 F HN -0.032 nan 8.300 nan 0.000 0.584 685 V N 0.000 119.673 119.914 -0.402 0.000 2.409 685 V HA 0.000 4.127 4.120 0.011 0.000 0.244 685 V CA 0.000 62.231 62.300 -0.116 0.000 1.235 685 V CB 0.000 31.696 31.823 -0.212 0.000 1.184 685 V HN 0.000 nan 8.190 nan 0.000 0.556