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 2nu9_1_I DATA FIRST_RESID 1 DATA SEQUENCE MNLHEYQAKQ LFARYGLPAP VGYACTTPRE AEEAASKIGA GPWVVKCQVH DATA SEQUENCE AGGRGKAGGV KVVNSKEDIR AFAENWLGKR LVTYQTDANG QPVNQILVEA DATA SEQUENCE ATDIAKELYL GAVVDRSSRR VVFMASTEGG VEIEKVAEET PHLIHKVALD DATA SEQUENCE PLTGPMPYQG RELAFKLGLE GKLVQQFTKI FMGLATIFLE RDLALIEINP DATA SEQUENCE LVITKQGDLI CLDGKLGADG NALFRQPDLR EMRDQSQEDP REAQAAQWEL DATA SEQUENCE NYVALDGNIG CMVNGAGLAM GTMDIVKLHG GEPANFLDVG GGATKERVTE DATA SEQUENCE AFKIILSDDK VKAVLVNIFG GIVRCDLIAD GIIGAVAEVG VNVPVVVRLE DATA SEQUENCE GNNAELGAKK LADSGLNIIA AKGLTDAAQQ VVAAV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.163 176.300 -0.229 0.000 1.140 1 M CA 0.000 55.215 55.300 -0.142 0.000 0.988 1 M CB 0.000 32.535 32.600 -0.109 0.000 1.302 2 N N 0.736 119.227 118.700 -0.349 0.000 2.489 2 N HA 0.852 5.592 4.740 -0.000 0.000 0.284 2 N C -1.433 173.655 175.510 -0.703 0.000 1.158 2 N CA -0.833 51.886 53.050 -0.552 0.000 0.965 2 N CB 1.727 39.778 38.487 -0.727 0.000 1.195 2 N HN 0.456 nan 8.380 nan 0.000 0.506 3 L N 0.603 121.482 121.223 -0.575 0.000 2.319 3 L HA 0.435 4.775 4.340 -0.000 0.000 0.267 3 L C -0.036 176.603 176.870 -0.385 0.000 1.011 3 L CA -1.023 53.562 54.840 -0.426 0.000 0.818 3 L CB 1.341 43.213 42.059 -0.312 0.000 1.316 3 L HN 0.466 nan 8.230 nan 0.000 0.432 4 H N 0.880 119.851 119.070 -0.166 0.000 2.607 4 H HA 0.002 4.558 4.556 -0.000 0.000 0.367 4 H C 0.540 175.730 175.328 -0.229 0.000 1.181 4 H CA 0.138 56.115 56.048 -0.119 0.000 1.402 4 H CB 1.593 31.231 29.762 -0.207 0.000 1.474 4 H HN 0.712 nan 8.280 nan 0.000 0.596 5 E N 2.547 122.785 120.200 0.063 0.000 2.070 5 E HA -0.283 4.067 4.350 -0.000 0.000 0.197 5 E C 1.649 178.236 176.600 -0.023 0.000 1.004 5 E CA 1.774 58.180 56.400 0.009 0.000 0.805 5 E CB -0.308 29.439 29.700 0.079 0.000 0.744 5 E HN 0.746 nan 8.360 nan 0.000 0.451 6 Y N 0.599 120.905 120.300 0.009 0.000 2.256 6 Y HA -0.134 4.416 4.550 -0.000 0.000 0.288 6 Y C 2.032 177.894 175.900 -0.065 0.000 1.155 6 Y CA 1.577 59.659 58.100 -0.030 0.000 1.203 6 Y CB -0.624 37.822 38.460 -0.023 0.000 0.980 6 Y HN 0.054 nan 8.280 nan 0.000 0.530 7 Q N 0.719 120.106 119.800 -0.688 0.000 2.123 7 Q HA -0.033 4.307 4.340 -0.000 0.000 0.199 7 Q C 2.634 178.401 176.000 -0.389 0.000 0.966 7 Q CA 1.118 56.599 55.803 -0.537 0.000 0.845 7 Q CB -0.259 28.136 28.738 -0.572 0.000 0.907 7 Q HN 0.672 nan 8.270 nan 0.000 0.439 8 A N 1.724 124.281 122.820 -0.439 0.000 1.873 8 A HA -0.198 4.122 4.320 -0.000 0.000 0.215 8 A C 1.939 178.921 177.584 -1.003 0.000 1.186 8 A CA 1.392 53.000 52.037 -0.715 0.000 0.616 8 A CB -0.285 18.355 19.000 -0.599 0.000 0.823 8 A HN 0.151 nan 8.150 nan 0.000 0.442 9 K N -0.676 119.412 120.400 -0.519 0.000 2.063 9 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 9 K C 2.371 178.871 176.600 -0.167 0.000 1.048 9 K CA 1.612 57.744 56.287 -0.258 0.000 0.928 9 K CB -0.180 32.304 32.500 -0.027 0.000 0.713 9 K HN 0.687 nan 8.250 nan 0.000 0.442 10 Q N 1.008 120.718 119.800 -0.150 0.000 2.135 10 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 10 Q C 2.052 178.016 176.000 -0.061 0.000 0.981 10 Q CA 1.165 56.928 55.803 -0.068 0.000 0.856 10 Q CB 0.023 28.739 28.738 -0.037 0.000 0.902 10 Q HN 0.325 nan 8.270 nan 0.000 0.425 11 L N -0.399 120.723 121.223 -0.168 0.000 2.072 11 L HA -0.126 4.214 4.340 -0.000 0.000 0.205 11 L C 2.044 179.013 176.870 0.166 0.000 1.079 11 L CA 0.573 55.384 54.840 -0.049 0.000 0.752 11 L CB -0.227 41.717 42.059 -0.192 0.000 0.906 11 L HN 0.261 nan 8.230 nan 0.000 0.436 12 F N -0.011 119.960 119.950 0.035 0.000 2.171 12 F HA -0.180 4.347 4.527 -0.000 0.000 0.300 12 F C 2.599 178.446 175.800 0.078 0.000 1.090 12 F CA 0.747 58.769 58.000 0.037 0.000 1.293 12 F CB -1.526 37.466 39.000 -0.013 0.000 1.013 12 F HN 0.055 nan 8.300 nan 0.000 0.486 13 A N 0.369 123.323 122.820 0.224 0.000 1.877 13 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 13 A C 2.400 180.047 177.584 0.104 0.000 1.186 13 A CA 1.557 53.669 52.037 0.124 0.000 0.620 13 A CB -0.781 18.254 19.000 0.058 0.000 0.822 13 A HN 0.273 nan 8.150 nan 0.000 0.443 14 R N -2.097 118.467 120.500 0.108 0.000 2.170 14 R HA -0.160 4.180 4.340 -0.000 0.000 0.242 14 R C 0.594 176.861 176.300 -0.056 0.000 1.145 14 R CA 1.480 57.594 56.100 0.023 0.000 0.984 14 R CB -0.309 30.005 30.300 0.024 0.000 0.869 14 R HN 0.674 nan 8.270 nan 0.000 0.455 15 Y N -0.299 120.024 120.300 0.037 0.000 2.625 15 Y HA 0.227 4.777 4.550 -0.000 0.000 0.285 15 Y C 1.101 177.005 175.900 0.006 0.000 1.168 15 Y CA 0.076 58.189 58.100 0.022 0.000 1.250 15 Y CB 0.605 39.088 38.460 0.037 0.000 1.130 15 Y HN 0.175 nan 8.280 nan 0.000 0.526 16 G N 1.347 110.205 108.800 0.097 0.000 2.323 16 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.292 16 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.292 16 G C -0.395 174.534 174.900 0.049 0.000 1.040 16 G CA 0.135 45.267 45.100 0.053 0.000 0.942 16 G HN 0.353 nan 8.290 nan 0.000 0.506 17 L N 0.753 122.020 121.223 0.073 0.000 2.325 17 L HA 0.426 4.766 4.340 -0.000 0.000 0.281 17 L C -1.602 175.292 176.870 0.040 0.000 1.004 17 L CA -2.354 52.496 54.840 0.017 0.000 0.823 17 L CB 1.829 43.859 42.059 -0.048 0.000 1.236 17 L HN -0.015 nan 8.230 nan 0.000 0.415 18 P HA 0.058 nan 4.420 nan 0.000 0.261 18 P C -0.779 176.548 177.300 0.044 0.000 1.173 18 P CA 0.252 63.365 63.100 0.022 0.000 0.760 18 P CB 1.129 32.831 31.700 0.003 0.000 0.783 19 A N 4.535 127.388 122.820 0.055 0.000 2.572 19 A HA 0.731 5.051 4.320 -0.000 0.000 0.295 19 A C -2.810 174.799 177.584 0.042 0.000 1.072 19 A CA -1.664 50.414 52.037 0.070 0.000 0.691 19 A CB 0.659 19.722 19.000 0.105 0.000 1.291 19 A HN 0.293 nan 8.150 nan 0.000 0.404 20 P HA 0.283 nan 4.420 nan 0.000 0.270 20 P C -0.515 176.795 177.300 0.017 0.000 1.223 20 P CA -0.267 62.853 63.100 0.033 0.000 0.785 20 P CB 0.444 32.168 31.700 0.041 0.000 0.923 21 V N 1.919 121.846 119.914 0.021 0.000 2.470 21 V HA 0.511 4.631 4.120 -0.000 0.000 0.276 21 V C 0.998 177.087 176.094 -0.009 0.000 1.040 21 V CA 0.877 63.172 62.300 -0.009 0.000 1.008 21 V CB -0.012 31.836 31.823 0.042 0.000 0.990 21 V HN 0.860 nan 8.190 nan 0.000 0.477 22 G N 4.009 112.720 108.800 -0.148 0.000 2.721 22 G HA2 0.726 4.686 3.960 -0.000 0.000 0.296 22 G HA3 0.726 4.686 3.960 -0.000 0.000 0.296 22 G C -2.164 172.500 174.900 -0.393 0.000 1.383 22 G CA -0.536 44.506 45.100 -0.096 0.000 0.788 22 G HN 0.380 nan 8.290 nan 0.000 0.500 23 Y N -0.829 119.461 120.300 -0.016 0.000 2.479 23 Y HA 0.628 5.178 4.550 -0.000 0.000 0.338 23 Y C 0.309 176.140 175.900 -0.115 0.000 1.055 23 Y CA -0.750 57.317 58.100 -0.055 0.000 1.023 23 Y CB 2.393 40.819 38.460 -0.058 0.000 1.287 23 Y HN 0.813 nan 8.280 nan 0.000 0.447 24 A N 1.952 124.728 122.820 -0.073 0.000 2.328 24 A HA 0.691 5.011 4.320 -0.000 0.000 0.284 24 A C -0.822 176.653 177.584 -0.181 0.000 1.160 24 A CA -0.327 51.527 52.037 -0.305 0.000 0.818 24 A CB -0.125 18.390 19.000 -0.808 0.000 1.087 24 A HN 0.805 nan 8.150 nan 0.000 0.504 25 C N 1.539 120.748 119.300 -0.152 0.000 2.455 25 C HA 0.651 5.111 4.460 -0.000 0.000 0.320 25 C C 1.659 176.594 174.990 -0.092 0.000 1.226 25 C CA 0.162 59.125 59.018 -0.092 0.000 1.569 25 C CB 1.249 28.960 27.740 -0.049 0.000 2.200 25 C HN 0.958 nan 8.230 nan 0.000 0.491 26 T N -2.258 112.253 114.554 -0.072 0.000 3.001 26 T HA 0.191 4.541 4.350 -0.000 0.000 0.251 26 T C 0.471 175.150 174.700 -0.034 0.000 1.040 26 T CA 0.451 62.518 62.100 -0.056 0.000 0.985 26 T CB -0.090 68.747 68.868 -0.051 0.000 1.011 26 T HN 0.841 nan 8.240 nan 0.000 0.509 27 T N -1.424 113.110 114.554 -0.032 0.000 2.906 27 T HA 0.565 4.915 4.350 -0.000 0.000 0.295 27 T C -2.654 172.033 174.700 -0.021 0.000 1.061 27 T CA -1.798 60.287 62.100 -0.024 0.000 1.000 27 T CB 2.060 70.910 68.868 -0.029 0.000 1.103 27 T HN -0.336 nan 8.240 nan 0.000 0.486 28 P HA -0.029 nan 4.420 nan 0.000 0.219 28 P C 1.527 178.809 177.300 -0.031 0.000 1.146 28 P CA 0.660 63.755 63.100 -0.008 0.000 0.808 28 P CB 0.148 31.844 31.700 -0.006 0.000 0.779 29 R N 0.453 120.929 120.500 -0.039 0.000 2.075 29 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 29 R C 1.956 178.211 176.300 -0.076 0.000 1.126 29 R CA 1.431 57.498 56.100 -0.055 0.000 0.963 29 R CB -0.311 29.960 30.300 -0.049 0.000 0.858 29 R HN 0.196 nan 8.270 nan 0.000 0.435 30 E N 0.032 120.189 120.200 -0.071 0.000 2.110 30 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 30 E C 1.972 178.504 176.600 -0.114 0.000 0.988 30 E CA 1.046 57.390 56.400 -0.093 0.000 0.804 30 E CB -0.103 29.553 29.700 -0.073 0.000 0.745 30 E HN 0.448 nan 8.360 nan 0.000 0.458 31 A N 2.335 125.107 122.820 -0.080 0.000 1.865 31 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 31 A C 2.108 179.604 177.584 -0.147 0.000 1.191 31 A CA 1.945 53.935 52.037 -0.078 0.000 0.623 31 A CB -0.637 18.357 19.000 -0.011 0.000 0.826 31 A HN 0.405 nan 8.150 nan 0.000 0.444 32 E N -0.326 119.789 120.200 -0.141 0.000 2.208 32 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 32 E C 1.622 178.072 176.600 -0.249 0.000 0.988 32 E CA 1.174 57.453 56.400 -0.200 0.000 0.828 32 E CB -0.362 29.255 29.700 -0.139 0.000 0.763 32 E HN 0.738 nan 8.360 nan 0.000 0.478 33 E N 0.767 120.841 120.200 -0.210 0.000 2.274 33 E HA -0.068 4.282 4.350 -0.000 0.000 0.194 33 E C 2.021 178.434 176.600 -0.311 0.000 0.996 33 E CA 0.669 56.934 56.400 -0.225 0.000 0.840 33 E CB -0.013 29.578 29.700 -0.182 0.000 0.772 33 E HN 0.418 nan 8.360 nan 0.000 0.491 34 A N 1.413 124.023 122.820 -0.351 0.000 1.933 34 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 34 A C 2.367 179.717 177.584 -0.390 0.000 1.175 34 A CA 1.454 53.220 52.037 -0.451 0.000 0.628 34 A CB -0.584 18.243 19.000 -0.288 0.000 0.814 34 A HN 0.309 nan 8.150 nan 0.000 0.444 35 A N -0.175 122.328 122.820 -0.528 0.000 1.869 35 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 35 A C 2.457 179.846 177.584 -0.325 0.000 1.203 35 A CA 2.517 54.025 52.037 -0.882 0.000 0.638 35 A CB -1.193 16.998 19.000 -1.348 0.000 0.831 35 A HN 0.485 nan 8.150 nan 0.000 0.450 36 S N -0.467 115.096 115.700 -0.229 0.000 2.399 36 S HA -0.129 4.341 4.470 -0.000 0.000 0.231 36 S C 1.876 176.466 174.600 -0.018 0.000 1.022 36 S CA 1.565 59.733 58.200 -0.053 0.000 0.983 36 S CB -0.229 62.929 63.200 -0.070 0.000 0.803 36 S HN 0.627 nan 8.310 nan 0.000 0.480 37 K N 0.855 121.193 120.400 -0.105 0.000 2.097 37 K HA 0.053 4.373 4.320 -0.000 0.000 0.205 37 K C 1.901 178.573 176.600 0.119 0.000 1.050 37 K CA 1.029 57.279 56.287 -0.060 0.000 0.938 37 K CB -0.254 32.047 32.500 -0.331 0.000 0.718 37 K HN 0.334 nan 8.250 nan 0.000 0.442 38 I N 0.111 120.783 120.570 0.169 0.000 2.163 38 I HA -0.168 4.002 4.170 -0.000 0.000 0.240 38 I C 1.406 177.681 176.117 0.264 0.000 1.081 38 I CA 1.242 62.721 61.300 0.298 0.000 1.353 38 I CB -0.179 38.054 38.000 0.389 0.000 1.054 38 I HN 0.392 nan 8.210 nan 0.000 0.407 39 G N -0.554 108.434 108.800 0.314 0.000 2.291 39 G HA2 0.278 4.238 3.960 -0.000 0.000 0.249 39 G HA3 0.278 4.238 3.960 -0.000 0.000 0.249 39 G C -1.287 173.813 174.900 0.333 0.000 1.340 39 G CA -0.280 44.965 45.100 0.242 0.000 1.017 39 G HN 0.398 nan 8.290 nan 0.000 0.470 40 A N -0.024 122.880 122.820 0.141 0.000 2.354 40 A HA 0.763 5.083 4.320 -0.000 0.000 0.269 40 A C 1.214 178.569 177.584 -0.382 0.000 1.109 40 A CA 1.102 53.153 52.037 0.024 0.000 0.800 40 A CB 0.307 19.286 19.000 -0.034 0.000 1.045 40 A HN 2.255 nan 8.150 nan 0.000 0.489 41 G N 1.345 109.530 108.800 -1.026 0.000 2.583 41 G HA2 0.452 4.412 3.960 -0.000 0.000 0.275 41 G HA3 0.452 4.412 3.960 -0.000 0.000 0.275 41 G C -1.836 172.557 174.900 -0.844 0.000 1.342 41 G CA -0.635 43.294 45.100 -1.951 0.000 1.030 41 G HN 0.694 nan 8.290 nan 0.000 0.520 42 P HA 0.197 nan 4.420 nan 0.000 0.274 42 P C -0.734 176.124 177.300 -0.737 0.000 1.256 42 P CA -0.109 62.571 63.100 -0.700 0.000 0.795 42 P CB 0.945 32.480 31.700 -0.277 0.000 1.038 43 W N -1.039 120.250 121.300 -0.019 0.000 2.799 43 W HA 0.417 5.077 4.660 -0.000 0.000 0.349 43 W C -1.000 175.486 176.519 -0.055 0.000 1.100 43 W CA -0.653 56.678 57.345 -0.024 0.000 1.174 43 W CB 1.987 31.436 29.460 -0.018 0.000 1.427 43 W HN -0.044 nan 8.180 nan 0.000 0.547 44 V N 2.782 122.793 119.914 0.162 0.000 2.435 44 V HA 0.393 4.513 4.120 -0.000 0.000 0.290 44 V C -0.036 176.041 176.094 -0.027 0.000 1.030 44 V CA -0.884 61.433 62.300 0.027 0.000 0.881 44 V CB 1.241 33.074 31.823 0.017 0.000 0.983 44 V HN 0.314 nan 8.190 nan 0.000 0.445 45 V N 2.500 122.290 119.914 -0.207 0.000 2.495 45 V HA 0.764 4.884 4.120 -0.000 0.000 0.298 45 V C -0.662 175.225 176.094 -0.345 0.000 1.031 45 V CA -0.865 61.236 62.300 -0.333 0.000 0.871 45 V CB 1.485 32.890 31.823 -0.698 0.000 0.988 45 V HN 0.869 nan 8.190 nan 0.000 0.432 46 K N 3.719 124.079 120.400 -0.067 0.000 2.507 46 K HA 0.606 4.926 4.320 -0.000 0.000 0.251 46 K C -1.046 175.616 176.600 0.102 0.000 0.943 46 K CA -0.374 55.928 56.287 0.026 0.000 0.794 46 K CB 2.043 34.550 32.500 0.012 0.000 1.188 46 K HN 0.842 nan 8.250 nan 0.000 0.428 47 C N 2.463 121.801 119.300 0.062 0.000 2.676 47 C HA 0.107 4.567 4.460 -0.000 0.000 0.416 47 C C 0.146 175.119 174.990 -0.029 0.000 1.299 47 C CA -0.514 58.465 59.018 -0.064 0.000 2.048 47 C CB -0.123 27.402 27.740 -0.359 0.000 2.713 47 C HN 0.572 nan 8.230 nan 0.000 0.624 48 Q N 2.229 122.015 119.800 -0.023 0.000 2.394 48 Q HA 0.576 4.916 4.340 -0.000 0.000 0.259 48 Q C -0.447 175.604 176.000 0.085 0.000 1.021 48 Q CA -0.099 55.727 55.803 0.037 0.000 0.805 48 Q CB 1.409 30.127 28.738 -0.034 0.000 1.226 48 Q HN 0.734 nan 8.270 nan 0.000 0.476 49 V N -1.150 118.881 119.914 0.195 0.000 3.078 49 V HA 0.423 4.543 4.120 -0.000 0.000 0.311 49 V C 0.675 176.878 176.094 0.182 0.000 1.138 49 V CA -0.814 61.589 62.300 0.172 0.000 1.007 49 V CB 1.894 33.732 31.823 0.025 0.000 1.045 49 V HN 0.610 nan 8.190 nan 0.000 0.432 50 H N 1.696 120.749 119.070 -0.029 0.000 2.389 50 H HA 0.300 4.856 4.556 -0.000 0.000 0.299 50 H C 1.557 176.827 175.328 -0.097 0.000 1.081 50 H CA 1.533 57.495 56.048 -0.144 0.000 1.345 50 H CB -0.227 29.420 29.762 -0.191 0.000 1.393 50 H HN 1.006 nan 8.280 nan 0.000 0.520 51 A N 0.750 123.593 122.820 0.038 0.000 2.448 51 A HA 0.452 4.772 4.320 -0.000 0.000 0.239 51 A C 1.274 178.805 177.584 -0.088 0.000 1.080 51 A CA 0.384 52.388 52.037 -0.055 0.000 0.779 51 A CB -0.076 18.870 19.000 -0.090 0.000 1.026 51 A HN 0.419 nan 8.150 nan 0.000 0.499 52 G N -1.525 107.175 108.800 -0.167 0.000 2.557 52 G HA2 0.560 4.520 3.960 -0.000 0.000 0.302 52 G HA3 0.560 4.520 3.960 -0.000 0.000 0.302 52 G C 0.939 175.678 174.900 -0.269 0.000 1.311 52 G CA -0.137 44.869 45.100 -0.157 0.000 1.030 52 G HN 2.248 nan 8.290 nan 0.000 0.509 53 G N -1.123 107.607 108.800 -0.117 0.000 2.147 53 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 53 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 53 G C 1.265 176.161 174.900 -0.006 0.000 1.005 53 G CA 0.812 45.907 45.100 -0.009 0.000 0.713 53 G HN 0.712 nan 8.290 nan 0.000 0.515 54 R N -0.037 120.443 120.500 -0.034 0.000 2.105 54 R HA -0.064 4.276 4.340 -0.000 0.000 0.239 54 R C 2.972 179.265 176.300 -0.012 0.000 1.135 54 R CA 1.730 57.801 56.100 -0.048 0.000 0.967 54 R CB -0.470 29.798 30.300 -0.054 0.000 0.861 54 R HN 0.478 nan 8.270 nan 0.000 0.442 55 G N 1.561 110.377 108.800 0.028 0.000 2.480 55 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.216 55 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.216 55 G C 1.131 176.075 174.900 0.073 0.000 1.200 55 G CA 0.778 45.909 45.100 0.050 0.000 0.782 55 G HN 0.263 nan 8.290 nan 0.000 0.554 56 K N 0.764 121.220 120.400 0.094 0.000 2.160 56 K HA -0.027 4.293 4.320 -0.000 0.000 0.206 56 K C 2.596 179.260 176.600 0.108 0.000 1.047 56 K CA 1.073 57.425 56.287 0.108 0.000 0.930 56 K CB -0.207 32.381 32.500 0.147 0.000 0.720 56 K HN 0.295 nan 8.250 nan 0.000 0.450 57 A N 0.434 123.308 122.820 0.090 0.000 2.235 57 A HA 0.180 4.500 4.320 -0.000 0.000 0.208 57 A C 1.372 179.034 177.584 0.130 0.000 1.172 57 A CA 0.763 52.856 52.037 0.094 0.000 0.786 57 A CB -0.386 18.638 19.000 0.041 0.000 0.804 57 A HN 0.426 nan 8.150 nan 0.000 0.479 58 G N -2.151 106.725 108.800 0.128 0.000 2.137 58 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.237 58 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.237 58 G C 0.943 175.962 174.900 0.199 0.000 1.002 58 G CA 0.383 45.613 45.100 0.217 0.000 0.702 58 G HN 1.299 nan 8.290 nan 0.000 0.515 59 G N -1.245 107.527 108.800 -0.046 0.000 3.042 59 G HA2 0.448 4.408 3.960 -0.000 0.000 0.212 59 G HA3 0.448 4.408 3.960 -0.000 0.000 0.212 59 G C 0.294 175.225 174.900 0.052 0.000 1.166 59 G CA 0.799 45.743 45.100 -0.260 0.000 0.767 59 G HN 0.997 nan 8.290 nan 0.000 0.546 60 V N 0.515 120.471 119.914 0.071 0.000 2.483 60 V HA 0.565 4.685 4.120 -0.000 0.000 0.297 60 V C -0.481 175.610 176.094 -0.005 0.000 1.027 60 V CA -0.766 61.538 62.300 0.007 0.000 0.855 60 V CB 1.793 33.619 31.823 0.006 0.000 0.995 60 V HN 0.133 nan 8.190 nan 0.000 0.424 61 K N 2.906 123.218 120.400 -0.148 0.000 2.532 61 K HA 0.712 5.032 4.320 -0.000 0.000 0.265 61 K C -1.761 174.757 176.600 -0.137 0.000 0.948 61 K CA -0.829 55.392 56.287 -0.111 0.000 0.842 61 K CB 3.074 35.526 32.500 -0.079 0.000 1.392 61 K HN 0.341 nan 8.250 nan 0.000 0.436 62 V N 2.831 122.714 119.914 -0.051 0.000 2.347 62 V HA 0.301 4.421 4.120 -0.000 0.000 0.280 62 V C -0.112 175.985 176.094 0.005 0.000 1.021 62 V CA -0.725 61.559 62.300 -0.026 0.000 0.847 62 V CB 1.134 32.947 31.823 -0.017 0.000 0.990 62 V HN 0.566 nan 8.190 nan 0.000 0.444 63 V N 2.326 122.268 119.914 0.047 0.000 2.994 63 V HA 0.657 4.777 4.120 -0.000 0.000 0.318 63 V C 0.412 176.607 176.094 0.168 0.000 1.085 63 V CA -0.651 61.712 62.300 0.105 0.000 0.998 63 V CB 2.215 34.110 31.823 0.120 0.000 1.063 63 V HN 0.614 nan 8.190 nan 0.000 0.447 64 N N 0.559 119.358 118.700 0.165 0.000 2.184 64 N HA 0.214 4.954 4.740 -0.000 0.000 0.206 64 N C 0.043 175.742 175.510 0.316 0.000 1.151 64 N CA 0.724 53.866 53.050 0.154 0.000 0.878 64 N CB 0.810 39.329 38.487 0.053 0.000 1.014 64 N HN 1.011 nan 8.380 nan 0.000 0.512 65 S N -1.465 114.455 115.700 0.366 0.000 2.550 65 S HA 0.408 4.878 4.470 -0.000 0.000 0.270 65 S C 0.629 175.309 174.600 0.135 0.000 1.145 65 S CA -0.744 57.639 58.200 0.305 0.000 0.852 65 S CB 2.347 65.642 63.200 0.158 0.000 1.119 65 S HN -0.123 nan 8.310 nan 0.000 0.465 66 K N 0.694 121.085 120.400 -0.014 0.000 2.103 66 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 66 K C 1.387 177.956 176.600 -0.051 0.000 1.048 66 K CA 1.946 58.142 56.287 -0.152 0.000 0.930 66 K CB -0.267 32.138 32.500 -0.158 0.000 0.716 66 K HN 0.612 nan 8.250 nan 0.000 0.444 67 E N 1.100 121.302 120.200 0.003 0.000 2.085 67 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 67 E C 1.618 178.245 176.600 0.044 0.000 0.994 67 E CA 1.391 57.803 56.400 0.020 0.000 0.801 67 E CB -0.185 29.534 29.700 0.031 0.000 0.743 67 E HN 0.251 nan 8.360 nan 0.000 0.453 68 D N -0.140 120.303 120.400 0.071 0.000 2.149 68 D HA -0.048 4.592 4.640 -0.000 0.000 0.201 68 D C 2.037 178.413 176.300 0.127 0.000 0.972 68 D CA 0.591 54.653 54.000 0.104 0.000 0.835 68 D CB -0.091 40.782 40.800 0.121 0.000 0.966 68 D HN 0.192 nan 8.370 nan 0.000 0.476 69 I N 0.831 121.448 120.570 0.079 0.000 2.163 69 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 69 I C 2.662 178.847 176.117 0.114 0.000 1.085 69 I CA 0.945 62.287 61.300 0.070 0.000 1.347 69 I CB -0.183 37.778 38.000 -0.066 0.000 1.044 69 I HN -0.077 nan 8.210 nan 0.000 0.408 70 R N 1.286 121.816 120.500 0.050 0.000 2.091 70 R HA -0.205 4.135 4.340 -0.000 0.000 0.238 70 R C 2.367 178.710 176.300 0.072 0.000 1.136 70 R CA 1.787 57.913 56.100 0.043 0.000 0.959 70 R CB -0.313 29.990 30.300 0.005 0.000 0.856 70 R HN 0.360 nan 8.270 nan 0.000 0.437 71 A N 0.261 123.132 122.820 0.086 0.000 1.902 71 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 71 A C 2.033 179.681 177.584 0.105 0.000 1.181 71 A CA 1.402 53.483 52.037 0.073 0.000 0.623 71 A CB -0.841 18.205 19.000 0.076 0.000 0.818 71 A HN 0.546 nan 8.150 nan 0.000 0.443 72 F N 0.921 120.908 119.950 0.063 0.000 2.102 72 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 72 F C 2.563 178.470 175.800 0.178 0.000 1.105 72 F CA 1.360 59.449 58.000 0.148 0.000 1.239 72 F CB -0.470 38.637 39.000 0.178 0.000 0.991 72 F HN 0.252 nan 8.300 nan 0.000 0.474 73 A N 0.062 123.033 122.820 0.252 0.000 1.883 73 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 73 A C 2.070 179.662 177.584 0.014 0.000 1.186 73 A CA 1.948 54.067 52.037 0.136 0.000 0.624 73 A CB -0.952 18.123 19.000 0.126 0.000 0.822 73 A HN 0.576 nan 8.150 nan 0.000 0.444 74 E N -0.536 119.657 120.200 -0.013 0.000 2.338 74 E HA -0.131 4.219 4.350 -0.000 0.000 0.197 74 E C 1.762 178.283 176.600 -0.131 0.000 1.007 74 E CA 0.689 57.056 56.400 -0.055 0.000 0.849 74 E CB -0.163 29.511 29.700 -0.044 0.000 0.774 74 E HN 0.723 nan 8.360 nan 0.000 0.506 75 N N -0.624 117.942 118.700 -0.224 0.000 2.368 75 N HA -0.077 4.663 4.740 -0.000 0.000 0.176 75 N C 1.060 176.210 175.510 -0.599 0.000 1.021 75 N CA 0.597 53.379 53.050 -0.447 0.000 0.888 75 N CB 0.178 38.306 38.487 -0.599 0.000 0.995 75 N HN 0.210 nan 8.380 nan 0.000 0.437 76 W N 1.134 122.256 121.300 -0.296 0.000 2.699 76 W HA 0.380 5.040 4.660 -0.000 0.000 0.265 76 W C 0.368 176.795 176.519 -0.153 0.000 1.210 76 W CA -0.586 56.601 57.345 -0.263 0.000 1.414 76 W CB 0.085 29.296 29.460 -0.415 0.000 1.043 76 W HN -0.179 nan 8.180 nan 0.000 0.599 77 L N 1.785 123.062 121.223 0.091 0.000 2.628 77 L HA 0.110 4.450 4.340 -0.000 0.000 0.274 77 L C 1.452 178.336 176.870 0.024 0.000 1.209 77 L CA 1.428 56.297 54.840 0.048 0.000 0.930 77 L CB -0.326 41.745 42.059 0.019 0.000 1.183 77 L HN 0.512 nan 8.230 nan 0.000 0.492 78 G N 2.278 111.097 108.800 0.032 0.000 2.284 78 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.230 78 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.230 78 G C 0.347 175.266 174.900 0.030 0.000 1.021 78 G CA -0.171 44.940 45.100 0.018 0.000 0.619 78 G HN 0.504 nan 8.290 nan 0.000 0.510 79 K N 0.492 120.926 120.400 0.057 0.000 2.127 79 K HA 0.788 5.108 4.320 -0.000 0.000 0.240 79 K C 0.636 177.315 176.600 0.132 0.000 1.024 79 K CA -0.291 56.042 56.287 0.078 0.000 0.918 79 K CB 0.465 32.998 32.500 0.056 0.000 1.108 79 K HN 0.327 nan 8.250 nan 0.000 0.485 80 R N 0.755 121.335 120.500 0.134 0.000 2.387 80 R HA 0.351 4.691 4.340 -0.000 0.000 0.314 80 R C -0.926 175.483 176.300 0.181 0.000 0.958 80 R CA -1.054 55.119 56.100 0.121 0.000 0.846 80 R CB 1.001 31.345 30.300 0.073 0.000 1.147 80 R HN 0.282 nan 8.270 nan 0.000 0.447 81 L N 3.410 124.710 121.223 0.128 0.000 2.349 81 L HA 0.322 4.662 4.340 -0.000 0.000 0.275 81 L C -0.827 176.075 176.870 0.052 0.000 1.115 81 L CA -0.158 54.731 54.840 0.082 0.000 0.820 81 L CB 1.623 43.594 42.059 -0.147 0.000 1.135 81 L HN 0.334 nan 8.230 nan 0.000 0.445 82 V N 4.476 124.435 119.914 0.075 0.000 2.378 82 V HA 0.580 4.700 4.120 -0.000 0.000 0.288 82 V C 0.197 176.312 176.094 0.035 0.000 1.016 82 V CA -0.163 62.168 62.300 0.052 0.000 0.840 82 V CB 1.335 33.203 31.823 0.075 0.000 0.994 82 V HN 0.985 nan 8.190 nan 0.000 0.431 83 T N 1.001 115.550 114.554 -0.008 0.000 2.927 83 T HA 0.448 4.798 4.350 -0.000 0.000 0.286 83 T C 0.724 175.414 174.700 -0.016 0.000 1.040 83 T CA -0.415 61.665 62.100 -0.034 0.000 1.010 83 T CB 1.307 70.082 68.868 -0.155 0.000 1.177 83 T HN 0.631 nan 8.240 nan 0.000 0.546 84 Y N -0.456 119.858 120.300 0.024 0.000 2.680 84 Y HA 0.278 4.828 4.550 -0.000 0.000 0.303 84 Y C 1.566 177.476 175.900 0.017 0.000 1.166 84 Y CA 0.275 58.388 58.100 0.021 0.000 1.344 84 Y CB -0.640 37.832 38.460 0.019 0.000 1.002 84 Y HN 0.614 nan 8.280 nan 0.000 0.537 85 Q N 1.028 120.633 119.800 -0.325 0.000 2.155 85 Q HA 0.198 4.538 4.340 -0.000 0.000 0.220 85 Q C -0.086 175.855 176.000 -0.099 0.000 0.819 85 Q CA 0.220 55.889 55.803 -0.224 0.000 1.032 85 Q CB 0.806 29.310 28.738 -0.391 0.000 1.151 85 Q HN 0.556 nan 8.270 nan 0.000 0.487 86 T N -2.824 111.697 114.554 -0.054 0.000 2.907 86 T HA 0.398 4.748 4.350 -0.000 0.000 0.290 86 T C -0.117 174.588 174.700 0.009 0.000 1.066 86 T CA -0.935 61.153 62.100 -0.020 0.000 1.012 86 T CB 1.775 70.632 68.868 -0.018 0.000 1.184 86 T HN 0.059 nan 8.240 nan 0.000 0.522 87 D N 0.852 121.261 120.400 0.015 0.000 2.289 87 D HA 0.451 5.091 4.640 -0.000 0.000 0.266 87 D C 1.722 178.040 176.300 0.031 0.000 1.243 87 D CA -0.152 53.862 54.000 0.024 0.000 1.019 87 D CB -0.233 40.581 40.800 0.023 0.000 1.126 87 D HN 0.667 nan 8.370 nan 0.000 0.541 88 A N -0.858 121.982 122.820 0.033 0.000 2.014 88 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 88 A C 1.760 179.367 177.584 0.039 0.000 1.163 88 A CA 0.773 52.833 52.037 0.038 0.000 0.652 88 A CB -0.727 18.294 19.000 0.035 0.000 0.808 88 A HN 0.505 nan 8.150 nan 0.000 0.449 89 N N -0.001 118.721 118.700 0.036 0.000 2.409 89 N HA 0.105 4.845 4.740 -0.000 0.000 0.179 89 N C 1.247 176.781 175.510 0.040 0.000 1.032 89 N CA 1.004 54.077 53.050 0.037 0.000 0.898 89 N CB -0.272 38.236 38.487 0.035 0.000 0.971 89 N HN 0.609 nan 8.380 nan 0.000 0.441 90 G N 0.800 109.621 108.800 0.035 0.000 2.697 90 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.240 90 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.240 90 G C -0.783 174.131 174.900 0.024 0.000 1.346 90 G CA -0.372 44.746 45.100 0.030 0.000 0.887 90 G HN 0.332 nan 8.290 nan 0.000 0.569 91 Q N 0.691 120.501 119.800 0.017 0.000 2.377 91 Q HA 0.539 4.879 4.340 -0.000 0.000 0.271 91 Q C -2.381 173.630 176.000 0.019 0.000 1.077 91 Q CA -1.807 54.001 55.803 0.008 0.000 0.820 91 Q CB 2.964 31.694 28.738 -0.013 0.000 1.347 91 Q HN 0.571 nan 8.270 nan 0.000 0.444 92 P HA 0.006 nan 4.420 nan 0.000 0.271 92 P C -0.715 176.595 177.300 0.018 0.000 1.216 92 P CA 0.003 63.118 63.100 0.025 0.000 0.771 92 P CB 0.747 32.458 31.700 0.017 0.000 0.864 93 V N 4.782 124.716 119.914 0.033 0.000 2.294 93 V HA 0.194 4.314 4.120 -0.000 0.000 0.272 93 V C 0.977 177.075 176.094 0.006 0.000 1.027 93 V CA -0.012 62.296 62.300 0.013 0.000 0.823 93 V CB -0.056 31.791 31.823 0.040 0.000 1.030 93 V HN 0.509 nan 8.190 nan 0.000 0.457 94 N N 3.454 122.136 118.700 -0.030 0.000 2.187 94 N HA 0.247 4.987 4.740 -0.000 0.000 0.212 94 N C -0.036 175.432 175.510 -0.069 0.000 1.152 94 N CA -0.142 52.888 53.050 -0.034 0.000 0.872 94 N CB 0.717 39.189 38.487 -0.026 0.000 1.025 94 N HN 0.635 nan 8.380 nan 0.000 0.514 95 Q N 0.732 120.475 119.800 -0.095 0.000 2.295 95 Q HA 0.394 4.734 4.340 -0.000 0.000 0.268 95 Q C -1.804 174.142 176.000 -0.089 0.000 1.010 95 Q CA -0.452 55.266 55.803 -0.142 0.000 0.856 95 Q CB 2.099 30.679 28.738 -0.264 0.000 1.349 95 Q HN 0.028 nan 8.270 nan 0.000 0.412 96 I N 3.442 123.980 120.570 -0.053 0.000 2.378 96 I HA 0.310 4.480 4.170 -0.000 0.000 0.291 96 I C -0.802 175.308 176.117 -0.013 0.000 0.992 96 I CA -0.834 60.490 61.300 0.039 0.000 1.154 96 I CB 1.290 39.377 38.000 0.145 0.000 1.315 96 I HN 0.570 nan 8.210 nan 0.000 0.448 97 L N 8.683 129.911 121.223 0.007 0.000 2.265 97 L HA 0.462 4.802 4.340 -0.000 0.000 0.288 97 L C -0.609 176.279 176.870 0.031 0.000 1.058 97 L CA -0.039 54.801 54.840 0.000 0.000 0.809 97 L CB 1.212 43.294 42.059 0.038 0.000 1.179 97 L HN 0.294 nan 8.230 nan 0.000 0.429 98 V N 6.157 126.101 119.914 0.051 0.000 2.378 98 V HA 0.551 4.671 4.120 -0.000 0.000 0.288 98 V C -0.234 175.939 176.094 0.131 0.000 1.016 98 V CA -0.513 61.829 62.300 0.069 0.000 0.840 98 V CB 1.097 32.940 31.823 0.033 0.000 0.994 98 V HN 0.907 nan 8.190 nan 0.000 0.431 99 E N 3.835 124.117 120.200 0.137 0.000 2.433 99 E HA 0.862 5.212 4.350 -0.000 0.000 0.273 99 E C -0.582 176.142 176.600 0.206 0.000 0.950 99 E CA -1.201 55.294 56.400 0.159 0.000 0.796 99 E CB 2.150 31.904 29.700 0.089 0.000 1.330 99 E HN 0.603 nan 8.360 nan 0.000 0.455 100 A N 0.832 123.760 122.820 0.181 0.000 2.462 100 A HA 0.512 4.832 4.320 -0.000 0.000 0.243 100 A C 0.363 177.978 177.584 0.051 0.000 1.076 100 A CA 0.215 52.332 52.037 0.134 0.000 0.773 100 A CB 0.070 19.131 19.000 0.101 0.000 1.010 100 A HN 0.700 nan 8.150 nan 0.000 0.493 101 A N 2.050 124.859 122.820 -0.018 0.000 2.386 101 A HA 0.569 4.889 4.320 -0.000 0.000 0.248 101 A C 0.534 178.104 177.584 -0.023 0.000 1.082 101 A CA 0.268 52.284 52.037 -0.035 0.000 0.789 101 A CB -0.024 18.921 19.000 -0.092 0.000 1.025 101 A HN 0.897 nan 8.150 nan 0.000 0.490 102 T N 1.516 116.063 114.554 -0.013 0.000 2.841 102 T HA 0.370 4.720 4.350 -0.000 0.000 0.283 102 T C -1.150 173.544 174.700 -0.009 0.000 1.000 102 T CA -0.518 61.578 62.100 -0.006 0.000 0.977 102 T CB 1.190 70.063 68.868 0.008 0.000 0.979 102 T HN 0.569 nan 8.240 nan 0.000 0.446 103 D N 3.140 123.534 120.400 -0.009 0.000 2.402 103 D HA 0.218 4.858 4.640 -0.000 0.000 0.235 103 D C 0.275 176.576 176.300 0.001 0.000 1.226 103 D CA -0.012 53.983 54.000 -0.008 0.000 0.918 103 D CB 0.409 41.202 40.800 -0.011 0.000 1.043 103 D HN 0.457 nan 8.370 nan 0.000 0.506 104 I N 1.598 122.170 120.570 0.004 0.000 2.471 104 I HA 0.075 4.245 4.170 -0.000 0.000 0.286 104 I C 1.342 177.466 176.117 0.011 0.000 1.079 104 I CA -0.161 61.146 61.300 0.010 0.000 1.398 104 I CB 1.415 39.423 38.000 0.014 0.000 1.403 104 I HN 0.303 nan 8.210 nan 0.000 0.530 105 A N 6.391 129.219 122.820 0.014 0.000 1.963 105 A HA 0.220 4.540 4.320 -0.000 0.000 0.207 105 A C 0.790 178.384 177.584 0.018 0.000 1.243 105 A CA 0.589 52.635 52.037 0.014 0.000 0.728 105 A CB 0.419 19.427 19.000 0.013 0.000 0.895 105 A HN 0.703 nan 8.150 nan 0.000 0.467 106 K N 0.105 120.519 120.400 0.023 0.000 2.568 106 K HA 0.384 4.704 4.320 -0.000 0.000 0.273 106 K C -1.904 174.718 176.600 0.037 0.000 0.951 106 K CA -0.435 55.869 56.287 0.029 0.000 0.854 106 K CB 1.552 34.069 32.500 0.028 0.000 1.424 106 K HN 0.272 nan 8.250 nan 0.000 0.427 107 E N 3.864 124.091 120.200 0.044 0.000 2.145 107 E HA 0.351 4.701 4.350 -0.000 0.000 0.270 107 E C -0.646 175.999 176.600 0.076 0.000 0.906 107 E CA -0.596 55.838 56.400 0.056 0.000 0.761 107 E CB 1.551 31.285 29.700 0.056 0.000 1.116 107 E HN 0.325 nan 8.360 nan 0.000 0.408 108 L N 1.997 123.274 121.223 0.090 0.000 2.298 108 L HA 0.579 4.919 4.340 -0.000 0.000 0.268 108 L C -0.880 176.090 176.870 0.167 0.000 1.010 108 L CA -1.314 53.604 54.840 0.129 0.000 0.812 108 L CB 0.920 43.064 42.059 0.141 0.000 1.331 108 L HN 0.518 nan 8.230 nan 0.000 0.450 109 Y N 1.288 121.637 120.300 0.081 0.000 2.373 109 Y HA 0.664 5.214 4.550 -0.000 0.000 0.336 109 Y C -1.593 174.373 175.900 0.109 0.000 0.979 109 Y CA -1.023 57.121 58.100 0.073 0.000 1.080 109 Y CB 1.732 40.219 38.460 0.046 0.000 1.190 109 Y HN 0.349 nan 8.280 nan 0.000 0.446 110 L N 6.156 127.106 121.223 -0.455 0.000 2.439 110 L HA 0.942 5.282 4.340 -0.000 0.000 0.270 110 L C -0.777 175.865 176.870 -0.381 0.000 0.972 110 L CA -0.074 54.672 54.840 -0.156 0.000 0.836 110 L CB 1.710 43.746 42.059 -0.038 0.000 1.255 110 L HN 0.805 nan 8.230 nan 0.000 0.404 111 G N 2.825 111.589 108.800 -0.060 0.000 2.766 111 G HA2 0.955 4.915 3.960 -0.000 0.000 0.288 111 G HA3 0.955 4.915 3.960 -0.000 0.000 0.288 111 G C -1.935 172.865 174.900 -0.166 0.000 1.408 111 G CA -0.278 44.778 45.100 -0.074 0.000 0.852 111 G HN 1.086 nan 8.290 nan 0.000 0.487 112 A N -1.165 121.496 122.820 -0.265 0.000 2.577 112 A HA 0.861 5.181 4.320 -0.000 0.000 0.297 112 A C -0.640 176.841 177.584 -0.171 0.000 1.060 112 A CA 0.067 51.766 52.037 -0.563 0.000 0.697 112 A CB 1.211 19.315 19.000 -1.493 0.000 1.281 112 A HN 2.269 nan 8.150 nan 0.000 0.402 113 V N -1.588 118.214 119.914 -0.187 0.000 3.112 113 V HA 0.869 4.989 4.120 -0.000 0.000 0.310 113 V C -0.919 175.144 176.094 -0.052 0.000 1.364 113 V CA -0.898 61.416 62.300 0.023 0.000 1.058 113 V CB 1.458 33.294 31.823 0.022 0.000 1.079 113 V HN 1.020 nan 8.190 nan 0.000 0.463 114 V N 1.835 121.787 119.914 0.064 0.000 2.304 114 V HA 0.344 4.464 4.120 -0.000 0.000 0.269 114 V C -0.244 175.856 176.094 0.009 0.000 1.036 114 V CA 0.151 62.468 62.300 0.029 0.000 0.840 114 V CB 0.498 32.380 31.823 0.098 0.000 1.036 114 V HN 1.015 nan 8.190 nan 0.000 0.466 115 D N 4.488 124.880 120.400 -0.013 0.000 2.348 115 D HA 0.081 4.721 4.640 -0.000 0.000 0.259 115 D C 1.479 177.781 176.300 0.004 0.000 1.296 115 D CA 0.096 54.093 54.000 -0.004 0.000 0.931 115 D CB 0.587 41.383 40.800 -0.006 0.000 1.067 115 D HN 0.348 nan 8.370 nan 0.000 0.503 116 R N 2.303 122.807 120.500 0.007 0.000 2.159 116 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 116 R C 1.822 178.127 176.300 0.008 0.000 1.131 116 R CA 0.791 56.897 56.100 0.009 0.000 0.982 116 R CB -0.197 30.107 30.300 0.007 0.000 0.868 116 R HN 0.391 nan 8.270 nan 0.000 0.453 117 S N 0.413 116.116 115.700 0.006 0.000 2.371 117 S HA -0.087 4.383 4.470 -0.000 0.000 0.224 117 S C 1.861 176.466 174.600 0.009 0.000 1.029 117 S CA 1.588 59.792 58.200 0.006 0.000 0.978 117 S CB 0.047 63.249 63.200 0.004 0.000 0.833 117 S HN 0.467 nan 8.310 nan 0.000 0.466 118 S N 0.108 115.814 115.700 0.010 0.000 2.556 118 S HA 0.317 4.787 4.470 -0.000 0.000 0.216 118 S C 0.450 175.059 174.600 0.014 0.000 0.970 118 S CA -0.287 57.921 58.200 0.013 0.000 0.912 118 S CB -0.276 62.933 63.200 0.015 0.000 0.790 118 S HN 0.552 nan 8.310 nan 0.000 0.504 119 R N 0.946 121.454 120.500 0.012 0.000 3.336 119 R HA -0.100 4.240 4.340 -0.000 0.000 0.260 119 R C -0.773 175.535 176.300 0.014 0.000 1.032 119 R CA 0.494 56.602 56.100 0.015 0.000 0.693 119 R CB -1.443 28.867 30.300 0.017 0.000 1.134 119 R HN 0.397 nan 8.270 nan 0.000 0.433 120 R N -0.613 119.891 120.500 0.006 0.000 2.799 120 R HA 0.437 4.777 4.340 -0.000 0.000 0.270 120 R C -0.483 175.795 176.300 -0.037 0.000 1.010 120 R CA -1.053 55.046 56.100 -0.002 0.000 0.916 120 R CB 1.564 31.870 30.300 0.010 0.000 1.228 120 R HN -0.042 nan 8.270 nan 0.000 0.469 121 V N 2.067 121.935 119.914 -0.077 0.000 2.461 121 V HA 0.261 4.381 4.120 -0.000 0.000 0.275 121 V C -0.036 175.974 176.094 -0.139 0.000 1.047 121 V CA -0.340 61.824 62.300 -0.227 0.000 0.955 121 V CB 1.420 32.999 31.823 -0.407 0.000 0.988 121 V HN 0.347 nan 8.190 nan 0.000 0.471 122 V N 6.064 125.875 119.914 -0.171 0.000 2.540 122 V HA 0.508 4.628 4.120 -0.000 0.000 0.302 122 V C -0.597 175.451 176.094 -0.076 0.000 1.035 122 V CA -0.645 61.637 62.300 -0.031 0.000 0.873 122 V CB 1.765 33.585 31.823 -0.006 0.000 0.992 122 V HN 0.625 nan 8.190 nan 0.000 0.428 123 F N 4.398 124.354 119.950 0.012 0.000 2.421 123 F HA 0.701 5.228 4.527 -0.000 0.000 0.337 123 F C 0.326 176.187 175.800 0.101 0.000 1.105 123 F CA -0.437 57.610 58.000 0.078 0.000 1.049 123 F CB 1.745 40.864 39.000 0.199 0.000 1.139 123 F HN 0.271 nan 8.300 nan 0.000 0.479 124 M N 3.472 123.237 119.600 0.275 0.000 2.383 124 M HA 0.741 5.221 4.480 -0.000 0.000 0.325 124 M C -0.749 175.761 176.300 0.350 0.000 1.092 124 M CA -0.630 54.821 55.300 0.252 0.000 0.961 124 M CB 2.197 34.912 32.600 0.192 0.000 1.672 124 M HN 0.603 nan 8.290 nan 0.000 0.438 125 A N 1.696 124.697 122.820 0.301 0.000 2.401 125 A HA 0.940 5.260 4.320 -0.000 0.000 0.310 125 A C -0.952 176.779 177.584 0.244 0.000 1.075 125 A CA -0.649 51.592 52.037 0.340 0.000 0.746 125 A CB 2.046 21.241 19.000 0.326 0.000 1.277 125 A HN 0.718 nan 8.150 nan 0.000 0.425 126 S N -0.833 115.015 115.700 0.247 0.000 2.550 126 S HA 0.546 5.016 4.470 -0.000 0.000 0.270 126 S C 0.616 175.291 174.600 0.126 0.000 1.145 126 S CA 0.342 58.612 58.200 0.116 0.000 0.852 126 S CB 1.273 64.475 63.200 0.004 0.000 1.119 126 S HN 1.483 nan 8.310 nan 0.000 0.465 127 T N -0.049 114.545 114.554 0.067 0.000 3.129 127 T HA 0.239 4.589 4.350 -0.000 0.000 0.251 127 T C 0.135 174.863 174.700 0.047 0.000 1.117 127 T CA 0.204 62.340 62.100 0.059 0.000 1.034 127 T CB -0.135 68.757 68.868 0.040 0.000 0.968 127 T HN 0.481 nan 8.240 nan 0.000 0.526 128 E N 2.430 122.648 120.200 0.030 0.000 2.325 128 E HA 0.341 4.691 4.350 -0.000 0.000 0.295 128 E C 0.810 177.449 176.600 0.064 0.000 1.461 128 E CA -0.311 56.099 56.400 0.018 0.000 1.698 128 E CB -0.051 29.625 29.700 -0.039 0.000 1.496 128 E HN 0.613 nan 8.360 nan 0.000 0.474 129 G N -0.633 108.229 108.800 0.104 0.000 2.606 129 G HA2 0.338 4.298 3.960 -0.000 0.000 0.252 129 G HA3 0.338 4.298 3.960 -0.000 0.000 0.252 129 G C 0.957 175.921 174.900 0.107 0.000 1.206 129 G CA 0.053 45.240 45.100 0.146 0.000 0.861 129 G HN 0.391 nan 8.290 nan 0.000 0.561 130 G N -1.877 106.997 108.800 0.124 0.000 2.153 130 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.252 130 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.252 130 G C 0.046 174.994 174.900 0.081 0.000 0.994 130 G CA 0.471 45.627 45.100 0.093 0.000 0.698 130 G HN 1.382 nan 8.290 nan 0.000 0.521 131 V N -0.596 119.369 119.914 0.086 0.000 3.007 131 V HA 0.410 4.530 4.120 -0.000 0.000 0.311 131 V C 0.325 176.444 176.094 0.041 0.000 1.120 131 V CA -1.242 61.086 62.300 0.046 0.000 0.980 131 V CB 2.035 33.864 31.823 0.010 0.000 1.033 131 V HN 0.324 nan 8.190 nan 0.000 0.429 132 E N 1.853 122.067 120.200 0.023 0.000 2.341 132 E HA -0.013 4.337 4.350 -0.000 0.000 0.256 132 E C 0.777 177.341 176.600 -0.059 0.000 1.125 132 E CA -0.083 56.326 56.400 0.015 0.000 0.939 132 E CB 0.564 30.265 29.700 0.003 0.000 0.991 132 E HN 0.541 nan 8.360 nan 0.000 0.458 133 I N 4.225 124.719 120.570 -0.126 0.000 2.236 133 I HA -0.347 3.823 4.170 -0.000 0.000 0.249 133 I C 1.669 177.665 176.117 -0.202 0.000 1.102 133 I CA 1.709 62.823 61.300 -0.310 0.000 1.365 133 I CB -0.094 37.498 38.000 -0.679 0.000 1.051 133 I HN 0.550 nan 8.210 nan 0.000 0.420 134 E N -0.108 120.022 120.200 -0.117 0.000 2.118 134 E HA -0.283 4.067 4.350 -0.000 0.000 0.195 134 E C 2.157 178.710 176.600 -0.079 0.000 0.992 134 E CA 1.490 57.840 56.400 -0.083 0.000 0.804 134 E CB -0.227 29.447 29.700 -0.044 0.000 0.741 134 E HN 0.542 nan 8.360 nan 0.000 0.458 135 K N 0.517 120.872 120.400 -0.075 0.000 2.025 135 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 135 K C 2.263 178.818 176.600 -0.076 0.000 1.049 135 K CA 1.226 57.474 56.287 -0.065 0.000 0.933 135 K CB -0.125 32.341 32.500 -0.057 0.000 0.714 135 K HN -0.021 nan 8.250 nan 0.000 0.438 136 V N 1.756 121.609 119.914 -0.102 0.000 2.324 136 V HA -0.311 3.809 4.120 -0.000 0.000 0.250 136 V C 2.399 178.420 176.094 -0.122 0.000 1.060 136 V CA 2.069 64.297 62.300 -0.120 0.000 1.042 136 V CB -0.957 30.768 31.823 -0.163 0.000 0.650 136 V HN 0.362 nan 8.190 nan 0.000 0.450 137 A N 1.316 124.061 122.820 -0.125 0.000 1.834 137 A HA -0.291 4.029 4.320 -0.000 0.000 0.216 137 A C 2.276 179.821 177.584 -0.065 0.000 1.203 137 A CA 2.138 54.113 52.037 -0.104 0.000 0.621 137 A CB -0.731 18.209 19.000 -0.099 0.000 0.841 137 A HN 0.771 nan 8.150 nan 0.000 0.446 138 E N -0.313 119.855 120.200 -0.053 0.000 2.204 138 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 138 E C 1.627 178.214 176.600 -0.021 0.000 0.990 138 E CA 1.446 57.826 56.400 -0.033 0.000 0.821 138 E CB -0.263 29.418 29.700 -0.031 0.000 0.750 138 E HN 0.794 nan 8.360 nan 0.000 0.477 139 E N 0.606 120.790 120.200 -0.027 0.000 2.065 139 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 139 E C 0.580 177.190 176.600 0.018 0.000 0.960 139 E CA 1.350 57.744 56.400 -0.009 0.000 0.824 139 E CB 0.473 30.162 29.700 -0.018 0.000 0.793 139 E HN 0.300 nan 8.360 nan 0.000 0.459 140 T N -0.336 114.208 114.554 -0.017 0.000 3.427 140 T HA 0.214 4.564 4.350 -0.000 0.000 0.306 140 T C -2.161 172.454 174.700 -0.140 0.000 1.733 140 T CA -1.639 60.450 62.100 -0.019 0.000 1.599 140 T CB 1.022 69.817 68.868 -0.123 0.000 0.964 140 T HN -0.101 nan 8.240 nan 0.000 0.701 141 P HA -0.240 nan 4.420 nan 0.000 0.217 141 P C 1.446 178.688 177.300 -0.098 0.000 1.148 141 P CA 1.452 64.521 63.100 -0.051 0.000 0.828 141 P CB -0.193 31.515 31.700 0.012 0.000 0.783 142 H N -0.730 118.293 119.070 -0.079 0.000 2.567 142 H HA 0.083 4.639 4.556 -0.000 0.000 0.276 142 H C 1.518 176.760 175.328 -0.143 0.000 1.016 142 H CA 0.353 56.356 56.048 -0.075 0.000 1.186 142 H CB -1.072 28.677 29.762 -0.022 0.000 1.351 142 H HN 0.222 nan 8.280 nan 0.000 0.605 143 L N 0.640 121.481 121.223 -0.637 0.000 2.607 143 L HA 0.299 4.639 4.340 -0.000 0.000 0.228 143 L C 0.447 176.980 176.870 -0.562 0.000 1.123 143 L CA 0.032 54.552 54.840 -0.532 0.000 0.890 143 L CB 0.400 42.194 42.059 -0.441 0.000 1.103 143 L HN 0.094 nan 8.230 nan 0.000 0.468 144 I N 0.084 120.324 120.570 -0.550 0.000 2.339 144 I HA 0.252 4.422 4.170 -0.000 0.000 0.290 144 I C -0.411 175.396 176.117 -0.516 0.000 0.994 144 I CA -0.463 60.578 61.300 -0.430 0.000 1.191 144 I CB 1.108 38.964 38.000 -0.239 0.000 1.343 144 I HN 0.037 nan 8.210 nan 0.000 0.458 145 H N 5.984 125.058 119.070 0.006 0.000 2.524 145 H HA 0.587 5.143 4.556 -0.000 0.000 0.353 145 H C -0.838 174.517 175.328 0.044 0.000 1.136 145 H CA -0.824 55.234 56.048 0.016 0.000 1.193 145 H CB 2.052 31.815 29.762 0.001 0.000 1.558 145 H HN 0.451 nan 8.280 nan 0.000 0.515 146 K N 1.133 121.623 120.400 0.151 0.000 2.443 146 K HA 0.625 4.945 4.320 -0.000 0.000 0.251 146 K C -0.884 175.772 176.600 0.093 0.000 0.972 146 K CA -1.070 55.289 56.287 0.120 0.000 0.833 146 K CB 3.216 35.767 32.500 0.084 0.000 1.317 146 K HN 0.389 nan 8.250 nan 0.000 0.441 147 V N -2.368 117.607 119.914 0.102 0.000 2.932 147 V HA 0.872 4.992 4.120 -0.000 0.000 0.307 147 V C -1.324 174.840 176.094 0.116 0.000 1.147 147 V CA -1.011 61.326 62.300 0.063 0.000 0.951 147 V CB 1.633 33.424 31.823 -0.053 0.000 1.031 147 V HN 0.877 nan 8.190 nan 0.000 0.426 148 A N 4.565 127.437 122.820 0.087 0.000 2.318 148 A HA 0.857 5.176 4.320 -0.000 0.000 0.324 148 A C -0.370 177.266 177.584 0.086 0.000 1.170 148 A CA -0.840 51.249 52.037 0.087 0.000 0.810 148 A CB 0.995 20.029 19.000 0.058 0.000 1.198 148 A HN 1.072 nan 8.150 nan 0.000 0.484 149 L N 2.120 123.395 121.223 0.087 0.000 2.410 149 L HA 0.137 4.477 4.340 -0.000 0.000 0.273 149 L C 0.143 177.040 176.870 0.046 0.000 1.152 149 L CA -0.413 54.465 54.840 0.064 0.000 0.855 149 L CB 0.468 42.550 42.059 0.038 0.000 1.129 149 L HN 0.666 nan 8.230 nan 0.000 0.463 150 D N 5.274 125.705 120.400 0.052 0.000 2.325 150 D HA 0.136 4.776 4.640 -0.000 0.000 0.251 150 D C -1.625 174.700 176.300 0.041 0.000 1.196 150 D CA -1.873 52.159 54.000 0.054 0.000 0.866 150 D CB 1.814 42.657 40.800 0.073 0.000 1.101 150 D HN 0.225 nan 8.370 nan 0.000 0.476 151 P HA -0.134 nan 4.420 nan 0.000 0.218 151 P C 1.383 178.703 177.300 0.033 0.000 1.148 151 P CA 0.442 63.562 63.100 0.033 0.000 0.822 151 P CB 0.263 31.982 31.700 0.031 0.000 0.784 152 L N -0.706 120.539 121.223 0.036 0.000 2.240 152 L HA 0.013 4.353 4.340 -0.000 0.000 0.211 152 L C 1.756 178.648 176.870 0.037 0.000 1.106 152 L CA 2.288 57.149 54.840 0.034 0.000 0.793 152 L CB -1.234 40.845 42.059 0.034 0.000 0.927 152 L HN 0.039 nan 8.230 nan 0.000 0.446 153 T N -4.031 110.549 114.554 0.044 0.000 2.975 153 T HA 0.547 4.897 4.350 -0.000 0.000 0.257 153 T C 0.975 175.699 174.700 0.038 0.000 1.003 153 T CA 0.224 62.352 62.100 0.047 0.000 0.932 153 T CB -0.178 68.731 68.868 0.068 0.000 1.087 153 T HN 0.697 nan 8.240 nan 0.000 0.512 154 G N 2.841 111.659 108.800 0.031 0.000 2.829 154 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.628 154 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.628 154 G C -2.822 172.078 174.900 0.001 0.000 1.412 154 G CA -0.614 44.493 45.100 0.011 0.000 0.864 154 G HN 0.484 nan 8.290 nan 0.000 0.544 155 P HA 0.312 nan 4.420 nan 0.000 0.267 155 P C -0.328 176.962 177.300 -0.016 0.000 1.200 155 P CA 0.343 63.399 63.100 -0.072 0.000 0.772 155 P CB 0.575 32.095 31.700 -0.299 0.000 0.855 156 M N 3.366 122.974 119.600 0.014 0.000 2.464 156 M HA 0.292 4.772 4.480 -0.000 0.000 0.308 156 M C -1.822 174.470 176.300 -0.013 0.000 1.127 156 M CA -2.811 52.492 55.300 0.006 0.000 0.913 156 M CB 1.427 34.056 32.600 0.049 0.000 1.689 156 M HN 0.048 nan 8.290 nan 0.000 0.445 157 P HA -0.204 nan 4.420 nan 0.000 0.216 157 P C 1.396 178.692 177.300 -0.006 0.000 1.157 157 P CA 1.819 64.955 63.100 0.059 0.000 0.880 157 P CB -0.369 31.380 31.700 0.082 0.000 0.791 158 Y N 0.043 120.362 120.300 0.032 0.000 2.365 158 Y HA -0.211 4.339 4.550 -0.000 0.000 0.287 158 Y C 1.875 177.744 175.900 -0.051 0.000 1.162 158 Y CA 1.183 59.289 58.100 0.010 0.000 1.260 158 Y CB -1.705 36.766 38.460 0.019 0.000 0.976 158 Y HN 0.080 nan 8.280 nan 0.000 0.548 159 Q N 0.459 119.741 119.800 -0.863 0.000 2.137 159 Q HA 0.021 4.361 4.340 -0.000 0.000 0.198 159 Q C 2.603 178.110 176.000 -0.822 0.000 0.960 159 Q CA 0.969 56.279 55.803 -0.822 0.000 0.847 159 Q CB -0.381 27.871 28.738 -0.809 0.000 0.915 159 Q HN 0.689 nan 8.270 nan 0.000 0.448 160 G N 0.953 109.277 108.800 -0.794 0.000 2.408 160 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 160 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 160 G C 1.428 176.190 174.900 -0.229 0.000 1.150 160 G CA 0.253 44.987 45.100 -0.610 0.000 0.776 160 G HN 0.137 nan 8.290 nan 0.000 0.542 161 R N 0.058 120.445 120.500 -0.189 0.000 2.081 161 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 161 R C 2.456 178.638 176.300 -0.196 0.000 1.131 161 R CA 1.310 57.282 56.100 -0.214 0.000 0.960 161 R CB -0.317 29.983 30.300 -0.001 0.000 0.856 161 R HN 0.518 nan 8.270 nan 0.000 0.436 162 E N 0.915 121.070 120.200 -0.074 0.000 2.070 162 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 162 E C 1.971 178.481 176.600 -0.150 0.000 1.004 162 E CA 1.250 57.642 56.400 -0.014 0.000 0.805 162 E CB -0.032 29.654 29.700 -0.024 0.000 0.744 162 E HN 0.275 nan 8.360 nan 0.000 0.451 163 L N 0.263 121.327 121.223 -0.265 0.000 2.017 163 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 163 L C 2.754 179.267 176.870 -0.595 0.000 1.073 163 L CA 1.012 55.660 54.840 -0.319 0.000 0.745 163 L CB -0.611 41.346 42.059 -0.169 0.000 0.894 163 L HN 0.225 nan 8.230 nan 0.000 0.432 164 A N 0.309 122.618 122.820 -0.851 0.000 1.873 164 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 164 A C 2.029 179.259 177.584 -0.590 0.000 1.193 164 A CA 1.869 53.298 52.037 -1.013 0.000 0.629 164 A CB -0.918 17.571 19.000 -0.852 0.000 0.826 164 A HN 0.295 nan 8.150 nan 0.000 0.447 165 F N 0.153 119.927 119.950 -0.293 0.000 2.171 165 F HA -0.094 4.433 4.527 -0.000 0.000 0.300 165 F C 2.280 177.938 175.800 -0.238 0.000 1.090 165 F CA 1.586 59.459 58.000 -0.211 0.000 1.293 165 F CB -0.378 38.530 39.000 -0.153 0.000 1.013 165 F HN 0.155 nan 8.300 nan 0.000 0.486 166 K N 0.011 120.321 120.400 -0.150 0.000 2.283 166 K HA -0.063 4.257 4.320 -0.000 0.000 0.202 166 K C 1.724 178.165 176.600 -0.266 0.000 1.048 166 K CA 0.795 56.879 56.287 -0.338 0.000 0.948 166 K CB -0.281 31.772 32.500 -0.745 0.000 0.742 166 K HN 0.314 nan 8.250 nan 0.000 0.458 167 L N -0.245 120.844 121.223 -0.223 0.000 2.591 167 L HA 0.081 4.421 4.340 -0.000 0.000 0.228 167 L C 1.045 177.861 176.870 -0.091 0.000 1.133 167 L CA 0.263 55.025 54.840 -0.130 0.000 0.880 167 L CB -0.005 41.926 42.059 -0.213 0.000 1.033 167 L HN 0.386 nan 8.230 nan 0.000 0.450 168 G N 0.519 109.273 108.800 -0.076 0.000 2.148 168 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.254 168 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.254 168 G C 0.346 175.228 174.900 -0.029 0.000 0.981 168 G CA -0.011 45.076 45.100 -0.022 0.000 0.670 168 G HN 0.249 nan 8.290 nan 0.000 0.528 169 L N 0.193 121.355 121.223 -0.100 0.000 2.476 169 L HA 0.606 4.946 4.340 -0.000 0.000 0.264 169 L C 0.880 177.719 176.870 -0.051 0.000 1.224 169 L CA 0.395 55.174 54.840 -0.102 0.000 0.821 169 L CB 0.517 42.458 42.059 -0.197 0.000 1.101 169 L HN 0.636 nan 8.230 nan 0.000 0.488 170 E N -0.168 120.017 120.200 -0.026 0.000 2.401 170 E HA 0.590 4.940 4.350 -0.000 0.000 0.280 170 E C -0.304 176.304 176.600 0.014 0.000 1.039 170 E CA -0.534 55.882 56.400 0.027 0.000 0.814 170 E CB 1.409 31.149 29.700 0.067 0.000 1.275 170 E HN 0.753 nan 8.360 nan 0.000 0.448 171 G N 2.094 110.913 108.800 0.032 0.000 2.553 171 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.242 171 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.242 171 G C 0.580 175.485 174.900 0.007 0.000 1.277 171 G CA 0.384 45.497 45.100 0.022 0.000 0.910 171 G HN 0.911 nan 8.290 nan 0.000 0.576 172 K N 0.282 120.687 120.400 0.008 0.000 2.280 172 K HA 0.116 4.436 4.320 -0.000 0.000 0.202 172 K C 2.438 179.039 176.600 0.002 0.000 1.047 172 K CA 1.793 58.084 56.287 0.006 0.000 0.942 172 K CB -0.171 32.334 32.500 0.009 0.000 0.739 172 K HN 0.452 nan 8.250 nan 0.000 0.457 173 L N 1.295 122.517 121.223 -0.001 0.000 2.191 173 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 173 L C 2.316 179.182 176.870 -0.007 0.000 1.103 173 L CA 0.548 55.392 54.840 0.006 0.000 0.769 173 L CB -0.325 41.734 42.059 0.001 0.000 0.908 173 L HN 0.054 nan 8.230 nan 0.000 0.438 174 V N -0.247 119.624 119.914 -0.070 0.000 2.307 174 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 174 V C 2.568 178.623 176.094 -0.066 0.000 1.045 174 V CA 1.514 63.714 62.300 -0.166 0.000 1.024 174 V CB -0.559 31.081 31.823 -0.304 0.000 0.651 174 V HN 0.540 nan 8.190 nan 0.000 0.449 175 Q N 0.110 119.893 119.800 -0.029 0.000 2.079 175 Q HA -0.235 4.105 4.340 -0.000 0.000 0.200 175 Q C 2.105 178.116 176.000 0.019 0.000 0.974 175 Q CA 1.489 57.291 55.803 -0.001 0.000 0.840 175 Q CB -0.669 28.071 28.738 0.003 0.000 0.898 175 Q HN 0.652 nan 8.270 nan 0.000 0.430 176 Q N -0.126 119.689 119.800 0.024 0.000 2.096 176 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 176 Q C 1.898 177.915 176.000 0.028 0.000 0.982 176 Q CA 1.419 57.235 55.803 0.021 0.000 0.850 176 Q CB -0.215 28.538 28.738 0.025 0.000 0.901 176 Q HN 0.320 nan 8.270 nan 0.000 0.422 177 F N 0.929 120.835 119.950 -0.073 0.000 2.113 177 F HA -0.204 4.323 4.527 -0.000 0.000 0.297 177 F C 2.261 178.033 175.800 -0.047 0.000 1.103 177 F CA 1.737 59.694 58.000 -0.073 0.000 1.248 177 F CB -0.413 38.519 39.000 -0.115 0.000 0.999 177 F HN -0.046 nan 8.300 nan 0.000 0.475 178 T N 0.430 115.090 114.554 0.177 0.000 2.699 178 T HA -0.265 4.085 4.350 -0.000 0.000 0.268 178 T C 2.042 176.762 174.700 0.033 0.000 1.036 178 T CA 1.760 63.933 62.100 0.122 0.000 1.147 178 T CB -0.372 68.537 68.868 0.068 0.000 0.862 178 T HN 0.216 nan 8.240 nan 0.000 0.446 179 K N 0.489 120.879 120.400 -0.017 0.000 2.063 179 K HA -0.039 4.281 4.320 -0.000 0.000 0.208 179 K C 2.266 178.795 176.600 -0.118 0.000 1.048 179 K CA 1.247 57.504 56.287 -0.051 0.000 0.928 179 K CB -0.307 32.170 32.500 -0.038 0.000 0.713 179 K HN 0.340 nan 8.250 nan 0.000 0.442 180 I N 0.347 120.808 120.570 -0.182 0.000 2.286 180 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 180 I C 2.210 178.130 176.117 -0.328 0.000 1.115 180 I CA 0.891 62.027 61.300 -0.273 0.000 1.392 180 I CB -0.276 37.506 38.000 -0.362 0.000 1.065 180 I HN 0.161 nan 8.210 nan 0.000 0.418 181 F N 1.560 121.217 119.950 -0.489 0.000 2.075 181 F HA -0.252 4.275 4.527 -0.000 0.000 0.297 181 F C 2.490 178.036 175.800 -0.424 0.000 1.113 181 F CA 1.703 59.390 58.000 -0.522 0.000 1.218 181 F CB -0.257 38.461 39.000 -0.469 0.000 0.984 181 F HN -0.094 nan 8.300 nan 0.000 0.472 182 M N 0.673 119.960 119.600 -0.522 0.000 2.149 182 M HA -0.097 4.383 4.480 -0.000 0.000 0.261 182 M C 2.527 178.599 176.300 -0.379 0.000 1.064 182 M CA 1.501 56.499 55.300 -0.503 0.000 1.102 182 M CB -2.284 30.205 32.600 -0.185 0.000 1.369 182 M HN 0.367 nan 8.290 nan 0.000 0.408 183 G N 0.225 108.868 108.800 -0.262 0.000 2.414 183 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.215 183 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.215 183 G C 1.676 176.450 174.900 -0.210 0.000 1.188 183 G CA 0.397 45.410 45.100 -0.145 0.000 0.783 183 G HN 0.398 nan 8.290 nan 0.000 0.537 184 L N 0.766 121.831 121.223 -0.264 0.000 2.083 184 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 184 L C 3.408 180.282 176.870 0.006 0.000 1.083 184 L CA 0.974 55.727 54.840 -0.145 0.000 0.752 184 L CB -0.396 41.632 42.059 -0.051 0.000 0.899 184 L HN 0.315 nan 8.230 nan 0.000 0.433 185 A N -0.483 122.197 122.820 -0.234 0.000 1.933 185 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 185 A C 2.365 179.911 177.584 -0.062 0.000 1.175 185 A CA 2.288 54.223 52.037 -0.170 0.000 0.628 185 A CB -0.825 17.701 19.000 -0.790 0.000 0.814 185 A HN 0.375 nan 8.150 nan 0.000 0.444 186 T N 0.319 114.792 114.554 -0.134 0.000 2.777 186 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 186 T C 1.798 176.466 174.700 -0.054 0.000 1.040 186 T CA 1.416 63.488 62.100 -0.047 0.000 1.141 186 T CB -0.383 68.491 68.868 0.010 0.000 0.868 186 T HN 0.434 nan 8.240 nan 0.000 0.444 187 I N 0.256 120.686 120.570 -0.233 0.000 2.142 187 I HA -0.151 4.019 4.170 -0.000 0.000 0.240 187 I C 2.142 178.186 176.117 -0.122 0.000 1.078 187 I CA 1.356 62.412 61.300 -0.408 0.000 1.343 187 I CB -0.470 37.188 38.000 -0.570 0.000 1.046 187 I HN 0.124 nan 8.210 nan 0.000 0.405 188 F N 1.630 121.497 119.950 -0.139 0.000 2.087 188 F HA -0.287 4.240 4.527 -0.000 0.000 0.299 188 F C 2.271 178.031 175.800 -0.067 0.000 1.100 188 F CA 1.865 59.813 58.000 -0.086 0.000 1.226 188 F CB -0.333 38.644 39.000 -0.039 0.000 0.983 188 F HN -0.086 nan 8.300 nan 0.000 0.479 189 L N -0.780 120.594 121.223 0.252 0.000 2.095 189 L HA -0.143 4.197 4.340 -0.000 0.000 0.204 189 L C 2.348 179.252 176.870 0.057 0.000 1.080 189 L CA 1.384 56.319 54.840 0.159 0.000 0.759 189 L CB -0.746 41.378 42.059 0.107 0.000 0.914 189 L HN 0.124 nan 8.230 nan 0.000 0.439 190 E N -0.002 120.219 120.200 0.034 0.000 2.106 190 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 190 E C 1.642 178.231 176.600 -0.019 0.000 0.984 190 E CA 0.663 57.078 56.400 0.025 0.000 0.806 190 E CB 0.204 29.955 29.700 0.084 0.000 0.750 190 E HN 0.285 nan 8.360 nan 0.000 0.458 191 R N 0.895 121.356 120.500 -0.065 0.000 2.359 191 R HA 0.068 4.408 4.340 -0.000 0.000 0.231 191 R C -0.441 175.758 176.300 -0.168 0.000 0.913 191 R CA 0.016 56.050 56.100 -0.111 0.000 1.075 191 R CB -0.287 29.935 30.300 -0.130 0.000 1.087 191 R HN 0.089 nan 8.270 nan 0.000 0.515 192 D N 1.635 121.943 120.400 -0.154 0.000 2.812 192 D HA -0.180 4.460 4.640 -0.000 0.000 0.237 192 D C -0.210 175.905 176.300 -0.307 0.000 1.162 192 D CA 0.742 54.636 54.000 -0.176 0.000 0.740 192 D CB -0.698 40.004 40.800 -0.163 0.000 1.000 192 D HN 0.213 nan 8.370 nan 0.000 0.416 193 L N -0.516 120.368 121.223 -0.565 0.000 2.479 193 L HA 0.491 4.831 4.340 -0.000 0.000 0.249 193 L C 1.666 178.013 176.870 -0.871 0.000 1.178 193 L CA 0.012 54.363 54.840 -0.814 0.000 0.811 193 L CB 0.865 42.248 42.059 -1.127 0.000 1.187 193 L HN 0.211 nan 8.230 nan 0.000 0.480 194 A N 0.579 123.025 122.820 -0.623 0.000 1.977 194 A HA 0.379 4.699 4.320 -0.000 0.000 0.197 194 A C -0.076 177.442 177.584 -0.110 0.000 1.554 194 A CA 0.200 52.084 52.037 -0.256 0.000 1.037 194 A CB 0.636 19.547 19.000 -0.148 0.000 1.083 194 A HN 0.443 nan 8.150 nan 0.000 0.471 195 L N -0.372 120.731 121.223 -0.199 0.000 2.434 195 L HA 0.782 5.122 4.340 -0.000 0.000 0.260 195 L C -1.896 174.935 176.870 -0.064 0.000 0.983 195 L CA -0.437 54.380 54.840 -0.039 0.000 0.820 195 L CB 2.023 44.055 42.059 -0.045 0.000 1.361 195 L HN 0.191 nan 8.230 nan 0.000 0.410 196 I N 3.207 123.787 120.570 0.017 0.000 2.610 196 I HA 0.451 4.621 4.170 -0.000 0.000 0.289 196 I C -1.323 174.775 176.117 -0.031 0.000 1.163 196 I CA -0.381 60.922 61.300 0.006 0.000 1.044 196 I CB 2.221 40.238 38.000 0.029 0.000 1.251 196 I HN 0.679 nan 8.210 nan 0.000 0.424 197 E N 7.089 127.271 120.200 -0.030 0.000 2.343 197 E HA 0.364 4.714 4.350 -0.000 0.000 0.260 197 E C -1.480 175.033 176.600 -0.144 0.000 0.908 197 E CA -0.553 55.777 56.400 -0.116 0.000 0.814 197 E CB 1.394 31.081 29.700 -0.020 0.000 1.302 197 E HN 0.375 nan 8.360 nan 0.000 0.408 198 I N 4.191 124.588 120.570 -0.287 0.000 2.310 198 I HA 0.306 4.476 4.170 -0.000 0.000 0.287 198 I C -0.304 175.638 176.117 -0.293 0.000 1.073 198 I CA -0.522 60.647 61.300 -0.218 0.000 1.216 198 I CB 0.153 38.007 38.000 -0.244 0.000 1.415 198 I HN 0.408 nan 8.210 nan 0.000 0.480 199 N N 9.206 127.821 118.700 -0.142 0.000 2.581 199 N HA 0.451 5.191 4.740 -0.000 0.000 0.279 199 N C -2.971 172.558 175.510 0.031 0.000 1.124 199 N CA -1.175 51.847 53.050 -0.046 0.000 0.833 199 N CB 2.761 41.287 38.487 0.066 0.000 1.338 199 N HN 0.208 nan 8.380 nan 0.000 0.533 200 P HA 0.327 nan 4.420 nan 0.000 0.287 200 P C -1.011 176.290 177.300 0.002 0.000 1.279 200 P CA -0.808 62.311 63.100 0.031 0.000 0.867 200 P CB 1.904 33.637 31.700 0.055 0.000 1.127 201 L N 2.918 124.140 121.223 -0.002 0.000 2.259 201 L HA 0.304 4.644 4.340 -0.000 0.000 0.288 201 L C -0.781 176.108 176.870 0.031 0.000 1.051 201 L CA -0.540 54.295 54.840 -0.007 0.000 0.824 201 L CB 0.297 42.350 42.059 -0.010 0.000 1.206 201 L HN 0.026 nan 8.230 nan 0.000 0.429 202 V N 6.416 126.345 119.914 0.025 0.000 2.567 202 V HA 0.389 4.509 4.120 -0.000 0.000 0.289 202 V C 0.448 176.561 176.094 0.032 0.000 1.049 202 V CA -0.440 61.879 62.300 0.032 0.000 0.969 202 V CB 1.675 33.513 31.823 0.026 0.000 0.995 202 V HN 0.586 nan 8.190 nan 0.000 0.471 203 I N 4.177 124.767 120.570 0.034 0.000 2.321 203 I HA 0.308 4.478 4.170 -0.000 0.000 0.291 203 I C 0.764 176.894 176.117 0.022 0.000 0.998 203 I CA -0.251 61.068 61.300 0.031 0.000 1.227 203 I CB 1.755 39.774 38.000 0.031 0.000 1.368 203 I HN 0.749 nan 8.210 nan 0.000 0.466 204 T N 2.537 117.101 114.554 0.017 0.000 2.849 204 T HA 0.253 4.603 4.350 -0.000 0.000 0.284 204 T C 1.095 175.801 174.700 0.010 0.000 1.004 204 T CA -0.777 61.331 62.100 0.012 0.000 1.021 204 T CB 1.429 70.303 68.868 0.010 0.000 1.013 204 T HN 0.430 nan 8.240 nan 0.000 0.527 205 K N 0.710 121.114 120.400 0.006 0.000 2.209 205 K HA -0.100 4.220 4.320 -0.000 0.000 0.204 205 K C 2.048 178.651 176.600 0.004 0.000 1.048 205 K CA 1.276 57.566 56.287 0.004 0.000 0.940 205 K CB -0.289 32.211 32.500 0.000 0.000 0.729 205 K HN 0.613 nan 8.250 nan 0.000 0.451 206 Q N -0.588 119.215 119.800 0.004 0.000 2.472 206 Q HA 0.087 4.427 4.340 -0.000 0.000 0.208 206 Q C 0.644 176.648 176.000 0.007 0.000 0.958 206 Q CA 0.695 56.501 55.803 0.005 0.000 0.932 206 Q CB 0.254 28.994 28.738 0.004 0.000 1.007 206 Q HN 0.460 nan 8.270 nan 0.000 0.508 207 G N 0.560 109.365 108.800 0.009 0.000 2.248 207 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.252 207 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.252 207 G C -0.913 173.994 174.900 0.013 0.000 1.085 207 G CA 0.022 45.129 45.100 0.011 0.000 0.845 207 G HN 0.230 nan 8.290 nan 0.000 0.494 208 D N -0.756 119.653 120.400 0.014 0.000 2.552 208 D HA 0.569 5.209 4.640 -0.000 0.000 0.239 208 D C 0.297 176.609 176.300 0.019 0.000 1.139 208 D CA -0.603 53.406 54.000 0.015 0.000 0.914 208 D CB 1.678 42.485 40.800 0.011 0.000 1.461 208 D HN 0.151 nan 8.370 nan 0.000 0.462 209 L N 1.177 122.411 121.223 0.019 0.000 2.334 209 L HA 0.613 4.953 4.340 -0.000 0.000 0.277 209 L C -0.049 176.822 176.870 0.002 0.000 1.075 209 L CA -0.570 54.282 54.840 0.019 0.000 0.804 209 L CB 1.356 43.429 42.059 0.024 0.000 1.174 209 L HN 0.240 nan 8.230 nan 0.000 0.438 210 I N 1.179 121.749 120.570 0.001 0.000 2.775 210 I HA 0.257 4.426 4.170 -0.000 0.000 0.295 210 I C -1.084 175.032 176.117 -0.002 0.000 1.287 210 I CA -0.451 60.850 61.300 0.001 0.000 1.029 210 I CB 2.056 40.064 38.000 0.013 0.000 1.282 210 I HN 0.594 nan 8.210 nan 0.000 0.426 211 C N 7.305 126.606 119.300 0.002 0.000 2.252 211 C HA 0.211 4.671 4.460 -0.000 0.000 0.342 211 C C 1.486 176.507 174.990 0.051 0.000 1.110 211 C CA -0.527 58.496 59.018 0.009 0.000 1.581 211 C CB -0.504 27.243 27.740 0.011 0.000 2.087 211 C HN 0.696 nan 8.230 nan 0.000 0.500 212 L N 1.804 123.049 121.223 0.037 0.000 2.201 212 L HA 0.085 4.425 4.340 -0.000 0.000 0.212 212 L C 0.919 177.822 176.870 0.055 0.000 1.105 212 L CA 1.991 56.857 54.840 0.043 0.000 0.775 212 L CB -0.368 41.711 42.059 0.034 0.000 0.913 212 L HN 0.695 nan 8.230 nan 0.000 0.440 213 D N -2.440 117.997 120.400 0.062 0.000 2.596 213 D HA 0.595 5.235 4.640 -0.000 0.000 0.262 213 D C -0.926 175.438 176.300 0.107 0.000 1.210 213 D CA 0.138 54.181 54.000 0.071 0.000 0.873 213 D CB 2.278 43.109 40.800 0.052 0.000 1.408 213 D HN -0.036 nan 8.370 nan 0.000 0.441 214 G N 0.739 109.607 108.800 0.113 0.000 2.755 214 G HA2 0.511 4.471 3.960 -0.000 0.000 0.297 214 G HA3 0.511 4.471 3.960 -0.000 0.000 0.297 214 G C -1.704 173.240 174.900 0.072 0.000 1.441 214 G CA -0.611 44.602 45.100 0.188 0.000 0.964 214 G HN 0.367 nan 8.290 nan 0.000 0.540 215 K N 1.773 122.214 120.400 0.067 0.000 2.507 215 K HA 0.692 5.012 4.320 -0.000 0.000 0.251 215 K C -1.154 175.429 176.600 -0.029 0.000 0.943 215 K CA -0.745 55.533 56.287 -0.016 0.000 0.794 215 K CB 1.553 34.045 32.500 -0.014 0.000 1.188 215 K HN 0.407 nan 8.250 nan 0.000 0.428 216 L N 2.324 123.477 121.223 -0.117 0.000 2.370 216 L HA 0.718 5.058 4.340 -0.000 0.000 0.266 216 L C -0.015 176.734 176.870 -0.202 0.000 1.002 216 L CA -1.215 53.537 54.840 -0.146 0.000 0.818 216 L CB 2.309 44.254 42.059 -0.190 0.000 1.325 216 L HN 0.846 nan 8.230 nan 0.000 0.418 217 G N 0.915 109.591 108.800 -0.207 0.000 2.687 217 G HA2 0.706 4.666 3.960 -0.000 0.000 0.301 217 G HA3 0.706 4.666 3.960 -0.000 0.000 0.301 217 G C -1.346 173.408 174.900 -0.242 0.000 1.416 217 G CA -0.322 44.650 45.100 -0.213 0.000 1.005 217 G HN 0.726 nan 8.290 nan 0.000 0.509 218 A N 1.711 124.399 122.820 -0.221 0.000 2.320 218 A HA 0.688 5.008 4.320 -0.000 0.000 0.334 218 A C -0.392 177.087 177.584 -0.174 0.000 1.147 218 A CA -0.617 51.286 52.037 -0.222 0.000 0.820 218 A CB 1.413 20.295 19.000 -0.197 0.000 1.218 218 A HN 0.595 nan 8.150 nan 0.000 0.482 219 D N 1.725 122.023 120.400 -0.171 0.000 2.346 219 D HA 0.283 4.923 4.640 -0.000 0.000 0.260 219 D C 1.465 177.715 176.300 -0.084 0.000 1.252 219 D CA 0.841 54.775 54.000 -0.110 0.000 0.895 219 D CB 0.935 41.677 40.800 -0.097 0.000 1.097 219 D HN 0.500 nan 8.370 nan 0.000 0.489 220 G N 4.285 113.051 108.800 -0.056 0.000 2.442 220 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.219 220 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.219 220 G C 1.443 176.349 174.900 0.010 0.000 1.141 220 G CA 0.208 45.290 45.100 -0.029 0.000 0.763 220 G HN 0.480 nan 8.290 nan 0.000 0.554 221 N N 0.826 119.544 118.700 0.030 0.000 2.519 221 N HA 0.016 4.756 4.740 -0.000 0.000 0.186 221 N C 1.900 177.505 175.510 0.158 0.000 1.062 221 N CA 0.965 54.074 53.050 0.098 0.000 0.910 221 N CB -0.097 38.441 38.487 0.085 0.000 0.958 221 N HN 0.371 nan 8.380 nan 0.000 0.445 222 A N -0.578 122.235 122.820 -0.012 0.000 2.390 222 A HA 0.249 4.569 4.320 -0.000 0.000 0.232 222 A C 1.857 179.201 177.584 -0.400 0.000 1.233 222 A CA -0.257 51.629 52.037 -0.251 0.000 0.907 222 A CB -0.084 18.780 19.000 -0.227 0.000 0.967 222 A HN 0.147 nan 8.150 nan 0.000 0.512 223 L N -0.360 120.768 121.223 -0.158 0.000 2.189 223 L HA -0.218 4.122 4.340 -0.000 0.000 0.214 223 L C 2.364 179.167 176.870 -0.113 0.000 1.097 223 L CA 1.603 56.368 54.840 -0.125 0.000 0.764 223 L CB -0.772 41.264 42.059 -0.038 0.000 0.900 223 L HN 0.748 nan 8.230 nan 0.000 0.436 224 F N 1.261 121.199 119.950 -0.019 0.000 2.449 224 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 224 F C 1.917 177.709 175.800 -0.013 0.000 1.092 224 F CA 0.632 58.623 58.000 -0.015 0.000 1.446 224 F CB -0.665 38.327 39.000 -0.012 0.000 1.084 224 F HN 0.093 nan 8.300 nan 0.000 0.567 225 R N -0.227 119.889 120.500 -0.641 0.000 2.659 225 R HA 0.305 4.645 4.340 -0.000 0.000 0.418 225 R C -0.430 175.714 176.300 -0.259 0.000 1.076 225 R CA -0.313 55.545 56.100 -0.402 0.000 1.093 225 R CB -0.084 29.868 30.300 -0.580 0.000 1.400 225 R HN 0.207 nan 8.270 nan 0.000 0.583 226 Q N 0.752 120.429 119.800 -0.204 0.000 3.075 226 Q HA 0.243 4.583 4.340 -0.000 0.000 0.318 226 Q C -2.360 173.590 176.000 -0.084 0.000 0.907 226 Q CA -1.862 53.859 55.803 -0.138 0.000 0.882 226 Q CB 1.894 30.537 28.738 -0.159 0.000 1.386 226 Q HN 0.063 nan 8.270 nan 0.000 0.408 227 P HA -0.219 nan 4.420 nan 0.000 0.215 227 P C 0.886 178.168 177.300 -0.030 0.000 1.163 227 P CA 1.413 64.494 63.100 -0.030 0.000 0.894 227 P CB 0.463 32.152 31.700 -0.019 0.000 0.791 228 D N -0.768 119.613 120.400 -0.032 0.000 2.092 228 D HA -0.132 4.508 4.640 -0.000 0.000 0.193 228 D C 2.132 178.407 176.300 -0.041 0.000 0.994 228 D CA 1.106 55.089 54.000 -0.029 0.000 0.828 228 D CB -0.737 40.049 40.800 -0.024 0.000 0.963 228 D HN 0.156 nan 8.370 nan 0.000 0.450 229 L N 0.528 121.715 121.223 -0.060 0.000 2.012 229 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 229 L C 2.760 179.593 176.870 -0.062 0.000 1.073 229 L CA 1.054 55.848 54.840 -0.078 0.000 0.748 229 L CB -0.393 41.604 42.059 -0.104 0.000 0.891 229 L HN 0.001 nan 8.230 nan 0.000 0.431 230 R N 0.034 120.504 120.500 -0.051 0.000 2.134 230 R HA -0.216 4.124 4.340 -0.000 0.000 0.248 230 R C 2.127 178.415 176.300 -0.019 0.000 1.143 230 R CA 1.736 57.817 56.100 -0.032 0.000 0.957 230 R CB -0.094 30.193 30.300 -0.021 0.000 0.867 230 R HN 0.350 nan 8.270 nan 0.000 0.441 231 E N -0.148 120.043 120.200 -0.016 0.000 2.338 231 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 231 E C 1.671 178.272 176.600 0.001 0.000 1.007 231 E CA 0.896 57.294 56.400 -0.003 0.000 0.849 231 E CB 0.001 29.701 29.700 -0.001 0.000 0.774 231 E HN 0.503 nan 8.360 nan 0.000 0.506 232 M N 0.391 119.982 119.600 -0.016 0.000 2.618 232 M HA 0.026 4.506 4.480 -0.000 0.000 0.240 232 M C 1.080 177.382 176.300 0.003 0.000 1.123 232 M CA -0.009 55.282 55.300 -0.014 0.000 1.060 232 M CB 0.038 32.602 32.600 -0.060 0.000 1.535 232 M HN -0.158 nan 8.290 nan 0.000 0.507 233 R N 2.156 122.658 120.500 0.004 0.000 2.522 233 R HA -0.043 4.297 4.340 -0.000 0.000 0.284 233 R C -0.708 175.632 176.300 0.066 0.000 1.032 233 R CA 0.435 56.549 56.100 0.024 0.000 1.049 233 R CB 0.364 30.672 30.300 0.013 0.000 0.956 233 R HN -0.083 nan 8.270 nan 0.000 0.422 234 D N 3.705 124.171 120.400 0.111 0.000 2.472 234 D HA 0.065 4.705 4.640 -0.000 0.000 0.234 234 D C 0.528 176.865 176.300 0.062 0.000 1.088 234 D CA -0.333 53.728 54.000 0.101 0.000 0.882 234 D CB 1.280 42.157 40.800 0.129 0.000 1.037 234 D HN 0.535 nan 8.370 nan 0.000 0.520 235 Q N 1.427 121.258 119.800 0.051 0.000 2.152 235 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 235 Q C 1.803 177.821 176.000 0.029 0.000 0.985 235 Q CA 1.582 57.410 55.803 0.042 0.000 0.863 235 Q CB -0.394 28.367 28.738 0.039 0.000 0.904 235 Q HN 0.652 nan 8.270 nan 0.000 0.422 236 S N 0.529 116.240 115.700 0.019 0.000 2.440 236 S HA -0.151 4.319 4.470 -0.000 0.000 0.238 236 S C 1.614 176.205 174.600 -0.015 0.000 1.010 236 S CA 0.804 59.010 58.200 0.009 0.000 0.972 236 S CB -0.044 63.163 63.200 0.011 0.000 0.774 236 S HN 0.258 nan 8.310 nan 0.000 0.501 237 Q N 0.939 120.703 119.800 -0.061 0.000 2.451 237 Q HA 0.264 4.604 4.340 -0.000 0.000 0.206 237 Q C 0.161 176.158 176.000 -0.006 0.000 0.947 237 Q CA 0.624 56.363 55.803 -0.106 0.000 0.937 237 Q CB -0.002 28.491 28.738 -0.409 0.000 1.025 237 Q HN 0.798 nan 8.270 nan 0.000 0.511 238 E N 0.226 120.442 120.200 0.026 0.000 2.355 238 E HA 0.201 4.551 4.350 -0.000 0.000 0.261 238 E C -0.919 175.714 176.600 0.054 0.000 0.943 238 E CA -0.892 55.537 56.400 0.047 0.000 0.806 238 E CB 0.783 30.520 29.700 0.060 0.000 1.286 238 E HN -0.174 nan 8.360 nan 0.000 0.424 239 D N 1.778 122.220 120.400 0.071 0.000 2.371 239 D HA 0.027 4.667 4.640 -0.000 0.000 0.256 239 D C -1.432 174.928 176.300 0.100 0.000 1.193 239 D CA -2.035 52.020 54.000 0.093 0.000 0.881 239 D CB 0.965 41.843 40.800 0.129 0.000 1.143 239 D HN 0.101 nan 8.370 nan 0.000 0.473 240 P HA -0.163 nan 4.420 nan 0.000 0.218 240 P C 1.096 178.442 177.300 0.077 0.000 1.148 240 P CA 0.915 64.056 63.100 0.069 0.000 0.822 240 P CB 0.351 32.082 31.700 0.052 0.000 0.784 241 R N 0.094 120.650 120.500 0.093 0.000 2.120 241 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 241 R C 2.431 178.805 176.300 0.122 0.000 1.123 241 R CA 1.216 57.346 56.100 0.050 0.000 0.975 241 R CB -0.410 29.891 30.300 0.001 0.000 0.866 241 R HN 0.344 nan 8.270 nan 0.000 0.446 242 E N 0.474 120.811 120.200 0.228 0.000 2.031 242 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 242 E C 2.062 178.752 176.600 0.151 0.000 0.994 242 E CA 1.367 57.913 56.400 0.243 0.000 0.800 242 E CB -0.112 29.703 29.700 0.191 0.000 0.752 242 E HN 0.363 nan 8.360 nan 0.000 0.447 243 A N 0.925 123.811 122.820 0.109 0.000 1.972 243 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 243 A C 2.088 179.721 177.584 0.082 0.000 1.169 243 A CA 1.525 53.611 52.037 0.083 0.000 0.635 243 A CB -0.467 18.572 19.000 0.065 0.000 0.810 243 A HN 0.244 nan 8.150 nan 0.000 0.446 244 Q N -0.604 119.245 119.800 0.081 0.000 2.119 244 Q HA -0.117 4.223 4.340 -0.000 0.000 0.201 244 Q C 2.175 178.248 176.000 0.121 0.000 0.972 244 Q CA 1.402 57.258 55.803 0.088 0.000 0.847 244 Q CB -0.277 28.494 28.738 0.055 0.000 0.903 244 Q HN 0.623 nan 8.270 nan 0.000 0.433 245 A N 0.617 123.495 122.820 0.096 0.000 1.897 245 A HA -0.021 4.299 4.320 -0.000 0.000 0.215 245 A C 2.266 179.939 177.584 0.147 0.000 1.181 245 A CA 1.362 53.466 52.037 0.111 0.000 0.620 245 A CB -0.812 18.247 19.000 0.098 0.000 0.821 245 A HN 0.514 nan 8.150 nan 0.000 0.443 246 A N -0.713 122.181 122.820 0.122 0.000 1.978 246 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 246 A C 2.142 179.768 177.584 0.070 0.000 1.170 246 A CA 1.893 53.987 52.037 0.096 0.000 0.636 246 A CB -0.574 18.473 19.000 0.080 0.000 0.810 246 A HN 0.658 nan 8.150 nan 0.000 0.448 247 Q N -2.081 117.759 119.800 0.066 0.000 2.124 247 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 247 Q C 1.128 177.071 176.000 -0.093 0.000 0.977 247 Q CA 1.465 57.260 55.803 -0.014 0.000 0.850 247 Q CB -0.141 28.601 28.738 0.006 0.000 0.901 247 Q HN 0.835 nan 8.270 nan 0.000 0.429 248 W N 0.937 122.236 121.300 -0.001 0.000 3.325 248 W HA 0.202 4.862 4.660 -0.000 0.000 0.370 248 W C -0.548 175.968 176.519 -0.005 0.000 1.169 248 W CA -0.027 57.314 57.345 -0.006 0.000 1.874 248 W CB 0.606 30.057 29.460 -0.016 0.000 1.076 248 W HN 0.137 nan 8.180 nan 0.000 0.684 249 E N 0.450 120.735 120.200 0.142 0.000 2.287 249 E HA -0.218 4.132 4.350 -0.000 0.000 0.229 249 E C -0.828 175.840 176.600 0.114 0.000 1.194 249 E CA 0.254 56.715 56.400 0.103 0.000 0.704 249 E CB -1.742 28.004 29.700 0.076 0.000 1.216 249 E HN 0.255 nan 8.360 nan 0.000 0.381 250 L N 0.333 121.627 121.223 0.119 0.000 2.401 250 L HA 0.506 4.846 4.340 -0.000 0.000 0.266 250 L C 0.042 176.976 176.870 0.107 0.000 0.991 250 L CA -1.110 53.782 54.840 0.085 0.000 0.818 250 L CB 1.756 43.857 42.059 0.071 0.000 1.321 250 L HN -0.016 nan 8.230 nan 0.000 0.413 251 N N 1.826 120.582 118.700 0.094 0.000 2.469 251 N HA 0.340 5.080 4.740 -0.000 0.000 0.253 251 N C -1.525 174.122 175.510 0.228 0.000 0.970 251 N CA -0.264 52.897 53.050 0.184 0.000 0.940 251 N CB 1.794 40.430 38.487 0.248 0.000 1.128 251 N HN 0.430 nan 8.380 nan 0.000 0.503 252 Y N 1.656 122.039 120.300 0.140 0.000 2.485 252 Y HA 0.632 5.182 4.550 -0.000 0.000 0.345 252 Y C -1.128 174.901 175.900 0.214 0.000 0.998 252 Y CA -0.707 57.480 58.100 0.145 0.000 1.059 252 Y CB 1.390 39.888 38.460 0.063 0.000 1.234 252 Y HN 0.175 nan 8.280 nan 0.000 0.461 253 V N 4.882 124.468 119.914 -0.547 0.000 2.697 253 V HA 0.630 4.750 4.120 -0.000 0.000 0.300 253 V C -0.568 175.101 176.094 -0.708 0.000 1.115 253 V CA -0.758 61.272 62.300 -0.450 0.000 0.912 253 V CB 1.381 33.127 31.823 -0.127 0.000 1.024 253 V HN 1.042 nan 8.190 nan 0.000 0.431 254 A N 4.883 127.346 122.820 -0.595 0.000 2.351 254 A HA 0.902 5.222 4.320 -0.000 0.000 0.257 254 A C -0.723 176.787 177.584 -0.122 0.000 1.087 254 A CA 0.116 51.969 52.037 -0.307 0.000 0.798 254 A CB 0.652 19.623 19.000 -0.047 0.000 1.033 254 A HN 0.704 nan 8.150 nan 0.000 0.488 255 L N 0.006 121.200 121.223 -0.049 0.000 2.205 255 L HA 0.469 4.809 4.340 -0.000 0.000 0.242 255 L C -0.784 176.095 176.870 0.014 0.000 1.115 255 L CA -0.398 54.434 54.840 -0.014 0.000 0.987 255 L CB 1.321 43.376 42.059 -0.006 0.000 1.568 255 L HN 0.620 nan 8.230 nan 0.000 0.450 256 D N 0.740 121.151 120.400 0.018 0.000 2.460 256 D HA 0.620 5.260 4.640 -0.000 0.000 0.232 256 D C -0.278 176.039 176.300 0.028 0.000 1.079 256 D CA 0.082 54.097 54.000 0.025 0.000 0.864 256 D CB 1.564 42.377 40.800 0.022 0.000 1.048 256 D HN 0.662 nan 8.370 nan 0.000 0.523 257 G N 1.321 110.142 108.800 0.035 0.000 2.495 257 G HA2 0.198 4.158 3.960 -0.000 0.000 0.294 257 G HA3 0.198 4.158 3.960 -0.000 0.000 0.294 257 G C -0.291 174.633 174.900 0.040 0.000 1.397 257 G CA -0.794 44.327 45.100 0.036 0.000 0.790 257 G HN 0.326 nan 8.290 nan 0.000 0.486 258 N N -1.455 117.268 118.700 0.039 0.000 2.171 258 N HA 0.260 5.000 4.740 -0.000 0.000 0.212 258 N C -0.003 175.533 175.510 0.043 0.000 1.184 258 N CA -0.037 53.037 53.050 0.040 0.000 0.888 258 N CB 0.955 39.462 38.487 0.033 0.000 1.038 258 N HN 0.394 nan 8.380 nan 0.000 0.517 259 I N 0.996 121.592 120.570 0.044 0.000 2.354 259 I HA 0.449 4.619 4.170 -0.000 0.000 0.286 259 I C 0.379 176.524 176.117 0.047 0.000 1.007 259 I CA -1.187 60.139 61.300 0.044 0.000 1.167 259 I CB 1.492 39.515 38.000 0.038 0.000 1.320 259 I HN 0.069 nan 8.210 nan 0.000 0.458 260 G N 4.992 113.823 108.800 0.052 0.000 2.503 260 G HA2 0.437 4.397 3.960 -0.000 0.000 0.257 260 G HA3 0.437 4.397 3.960 -0.000 0.000 0.257 260 G C -0.768 174.144 174.900 0.020 0.000 1.214 260 G CA -0.123 45.007 45.100 0.050 0.000 0.839 260 G HN 0.657 nan 8.290 nan 0.000 0.559 261 C N 1.732 121.032 119.300 -0.000 0.000 2.482 261 C HA 0.689 5.149 4.460 -0.000 0.000 0.317 261 C C 0.075 175.005 174.990 -0.099 0.000 1.197 261 C CA -0.672 58.323 59.018 -0.037 0.000 1.432 261 C CB 0.926 28.655 27.740 -0.018 0.000 2.062 261 C HN 0.776 nan 8.230 nan 0.000 0.471 262 M N 4.119 123.638 119.600 -0.134 0.000 2.067 262 M HA 0.656 5.136 4.480 -0.000 0.000 0.286 262 M C -1.742 174.469 176.300 -0.149 0.000 0.922 262 M CA -0.024 55.160 55.300 -0.194 0.000 0.937 262 M CB 0.798 33.212 32.600 -0.309 0.000 1.550 262 M HN 0.573 nan 8.290 nan 0.000 0.433 263 V N 4.034 123.857 119.914 -0.152 0.000 2.962 263 V HA 0.528 4.648 4.120 -0.000 0.000 0.313 263 V C -0.594 175.443 176.094 -0.096 0.000 1.099 263 V CA -1.024 61.217 62.300 -0.099 0.000 0.971 263 V CB 2.433 34.212 31.823 -0.074 0.000 1.028 263 V HN 0.863 nan 8.190 nan 0.000 0.430 264 N N 2.195 120.872 118.700 -0.039 0.000 2.457 264 N HA 0.628 5.368 4.740 -0.000 0.000 0.250 264 N C -0.142 175.366 175.510 -0.004 0.000 0.982 264 N CA 0.270 53.307 53.050 -0.021 0.000 0.941 264 N CB 1.637 40.130 38.487 0.009 0.000 1.120 264 N HN 1.340 nan 8.380 nan 0.000 0.505 265 G N 0.160 108.954 108.800 -0.010 0.000 3.014 265 G HA2 0.246 4.206 3.960 -0.000 0.000 0.683 265 G HA3 0.246 4.206 3.960 -0.000 0.000 0.683 265 G C 0.376 175.304 174.900 0.046 0.000 1.271 265 G CA -0.313 44.797 45.100 0.016 0.000 0.843 265 G HN 0.749 nan 8.290 nan 0.000 0.612 266 A N 1.184 124.068 122.820 0.107 0.000 1.873 266 A HA 0.315 4.635 4.320 -0.000 0.000 0.215 266 A C 2.776 180.486 177.584 0.211 0.000 1.186 266 A CA 2.674 54.858 52.037 0.245 0.000 0.616 266 A CB -0.858 18.284 19.000 0.236 0.000 0.823 266 A HN 2.284 nan 8.150 nan 0.000 0.442 267 G N -0.223 108.641 108.800 0.106 0.000 2.433 267 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 267 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 267 G C 1.480 176.425 174.900 0.074 0.000 1.186 267 G CA 1.206 46.350 45.100 0.073 0.000 0.779 267 G HN 0.450 nan 8.290 nan 0.000 0.543 268 L N 1.387 122.641 121.223 0.051 0.000 2.131 268 L HA 0.139 4.479 4.340 -0.000 0.000 0.210 268 L C 3.061 179.967 176.870 0.060 0.000 1.092 268 L CA 1.859 56.725 54.840 0.043 0.000 0.759 268 L CB -0.651 41.423 42.059 0.026 0.000 0.903 268 L HN 0.262 nan 8.230 nan 0.000 0.435 269 A N -0.765 122.100 122.820 0.075 0.000 1.858 269 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 269 A C 2.284 179.973 177.584 0.176 0.000 1.190 269 A CA 2.189 54.263 52.037 0.061 0.000 0.617 269 A CB -0.542 18.420 19.000 -0.063 0.000 0.827 269 A HN 0.477 nan 8.150 nan 0.000 0.443 270 M N -0.614 119.143 119.600 0.262 0.000 2.159 270 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 270 M C 2.297 178.660 176.300 0.105 0.000 1.063 270 M CA 1.401 56.813 55.300 0.186 0.000 1.110 270 M CB -0.617 32.050 32.600 0.111 0.000 1.374 270 M HN 0.536 nan 8.290 nan 0.000 0.411 271 G N -0.413 108.438 108.800 0.084 0.000 2.422 271 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 271 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 271 G C 1.459 176.396 174.900 0.061 0.000 1.146 271 G CA 1.445 46.582 45.100 0.061 0.000 0.769 271 G HN 0.374 nan 8.290 nan 0.000 0.547 272 T N 1.129 115.719 114.554 0.060 0.000 2.821 272 T HA -0.024 4.326 4.350 -0.000 0.000 0.267 272 T C 2.515 177.246 174.700 0.052 0.000 1.046 272 T CA 1.151 63.279 62.100 0.047 0.000 1.139 272 T CB -0.167 68.719 68.868 0.031 0.000 0.871 272 T HN 0.194 nan 8.240 nan 0.000 0.454 273 M N 1.005 120.647 119.600 0.069 0.000 2.086 273 M HA -0.107 4.373 4.480 -0.000 0.000 0.261 273 M C 2.063 178.402 176.300 0.064 0.000 1.067 273 M CA 1.447 56.789 55.300 0.071 0.000 1.116 273 M CB -0.386 32.273 32.600 0.098 0.000 1.348 273 M HN 0.047 nan 8.290 nan 0.000 0.407 274 D N 0.586 121.024 120.400 0.064 0.000 2.104 274 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 274 D C 1.800 178.145 176.300 0.075 0.000 0.994 274 D CA 1.215 55.250 54.000 0.059 0.000 0.830 274 D CB -0.296 40.535 40.800 0.051 0.000 0.959 274 D HN 0.349 nan 8.370 nan 0.000 0.452 275 I N 0.087 120.706 120.570 0.083 0.000 2.394 275 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 275 I C 1.888 178.095 176.117 0.151 0.000 1.136 275 I CA 0.641 62.015 61.300 0.123 0.000 1.425 275 I CB 0.236 38.284 38.000 0.080 0.000 1.079 275 I HN -0.140 nan 8.210 nan 0.000 0.425 276 V N 0.959 120.925 119.914 0.087 0.000 2.379 276 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 276 V C 2.426 178.581 176.094 0.101 0.000 1.044 276 V CA 1.965 64.311 62.300 0.077 0.000 1.036 276 V CB -0.543 31.308 31.823 0.047 0.000 0.664 276 V HN 0.368 nan 8.190 nan 0.000 0.453 277 K N 0.222 120.672 120.400 0.082 0.000 2.057 277 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 277 K C 1.914 178.556 176.600 0.069 0.000 1.049 277 K CA 1.529 57.855 56.287 0.065 0.000 0.931 277 K CB -0.560 31.969 32.500 0.048 0.000 0.714 277 K HN 0.285 nan 8.250 nan 0.000 0.440 278 L N 0.506 121.784 121.223 0.092 0.000 2.042 278 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 278 L C 0.977 177.843 176.870 -0.008 0.000 1.076 278 L CA 1.905 56.776 54.840 0.051 0.000 0.749 278 L CB -0.492 41.618 42.059 0.085 0.000 0.893 278 L HN 0.325 nan 8.230 nan 0.000 0.432 279 H N -0.446 118.633 119.070 0.016 0.000 2.610 279 H HA 0.421 4.977 4.556 -0.000 0.000 0.302 279 H C 1.325 176.661 175.328 0.014 0.000 1.063 279 H CA 0.288 56.344 56.048 0.015 0.000 1.159 279 H CB -0.428 29.343 29.762 0.015 0.000 1.427 279 H HN 0.379 nan 8.280 nan 0.000 0.553 280 G N -0.415 108.433 108.800 0.079 0.000 2.143 280 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.249 280 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.249 280 G C 0.698 175.632 174.900 0.057 0.000 0.981 280 G CA 0.065 45.197 45.100 0.054 0.000 0.665 280 G HN 0.774 nan 8.290 nan 0.000 0.528 281 G N -0.989 107.852 108.800 0.069 0.000 2.488 281 G HA2 0.610 4.570 3.960 -0.000 0.000 0.318 281 G HA3 0.610 4.570 3.960 -0.000 0.000 0.318 281 G C -0.646 174.281 174.900 0.046 0.000 1.188 281 G CA -0.339 44.794 45.100 0.055 0.000 0.944 281 G HN 0.233 nan 8.290 nan 0.000 0.495 282 E N 1.116 121.341 120.200 0.040 0.000 2.331 282 E HA 0.345 4.695 4.350 -0.000 0.000 0.243 282 E C -2.310 174.313 176.600 0.038 0.000 0.925 282 E CA -2.176 54.246 56.400 0.036 0.000 0.760 282 E CB 1.749 31.468 29.700 0.032 0.000 1.254 282 E HN 0.211 nan 8.360 nan 0.000 0.419 283 P HA -0.053 nan 4.420 nan 0.000 0.261 283 P C -0.055 177.271 177.300 0.042 0.000 1.183 283 P CA 0.213 63.339 63.100 0.044 0.000 0.761 283 P CB 1.487 33.217 31.700 0.050 0.000 0.785 284 A N 3.672 126.520 122.820 0.048 0.000 2.178 284 A HA 0.048 4.368 4.320 -0.000 0.000 0.211 284 A C 0.939 178.553 177.584 0.051 0.000 1.157 284 A CA 0.578 52.646 52.037 0.052 0.000 0.780 284 A CB -0.392 18.646 19.000 0.064 0.000 0.828 284 A HN 0.808 nan 8.150 nan 0.000 0.476 285 N N -2.471 116.258 118.700 0.049 0.000 3.373 285 N HA 0.244 4.984 4.740 -0.000 0.000 0.275 285 N C -1.568 173.987 175.510 0.075 0.000 1.489 285 N CA -0.498 52.562 53.050 0.017 0.000 0.872 285 N CB 0.517 39.046 38.487 0.069 0.000 1.555 285 N HN 0.130 nan 8.380 nan 0.000 0.500 286 F N 0.776 120.644 119.950 -0.137 0.000 2.507 286 F HA 0.701 5.228 4.527 -0.000 0.000 0.328 286 F C -1.785 174.003 175.800 -0.021 0.000 1.136 286 F CA -0.816 57.137 58.000 -0.077 0.000 0.930 286 F CB 1.204 40.143 39.000 -0.101 0.000 1.166 286 F HN 0.499 nan 8.300 nan 0.000 0.436 287 L N 6.818 127.678 121.223 -0.605 0.000 2.504 287 L HA 0.414 4.754 4.340 -0.000 0.000 0.265 287 L C -1.825 174.704 176.870 -0.568 0.000 0.975 287 L CA -0.459 54.133 54.840 -0.412 0.000 0.864 287 L CB 1.125 43.146 42.059 -0.062 0.000 1.212 287 L HN 0.679 nan 8.230 nan 0.000 0.416 288 D N 3.981 123.999 120.400 -0.638 0.000 2.359 288 D HA 0.313 4.953 4.640 -0.000 0.000 0.230 288 D C -0.710 175.499 176.300 -0.152 0.000 1.118 288 D CA -0.210 53.562 54.000 -0.379 0.000 0.844 288 D CB 1.447 42.072 40.800 -0.291 0.000 1.059 288 D HN 0.308 nan 8.370 nan 0.000 0.493 289 V N 5.295 125.139 119.914 -0.115 0.000 2.381 289 V HA 0.318 4.438 4.120 -0.000 0.000 0.257 289 V C 1.635 177.720 176.094 -0.014 0.000 1.057 289 V CA 0.398 62.665 62.300 -0.055 0.000 1.013 289 V CB 0.482 32.268 31.823 -0.061 0.000 1.069 289 V HN 0.795 nan 8.190 nan 0.000 0.484 290 G N 4.348 113.157 108.800 0.015 0.000 2.496 290 G HA2 0.090 4.050 3.960 -0.000 0.000 0.214 290 G HA3 0.090 4.050 3.960 -0.000 0.000 0.214 290 G C 0.908 175.828 174.900 0.035 0.000 1.234 290 G CA 0.519 45.637 45.100 0.030 0.000 0.807 290 G HN 0.850 nan 8.290 nan 0.000 0.543 291 G N -0.151 108.680 108.800 0.052 0.000 2.716 291 G HA2 0.439 4.399 3.960 -0.000 0.000 0.251 291 G HA3 0.439 4.399 3.960 -0.000 0.000 0.251 291 G C 0.707 175.638 174.900 0.050 0.000 1.224 291 G CA 0.123 45.257 45.100 0.056 0.000 0.891 291 G HN 0.577 nan 8.290 nan 0.000 0.561 292 G N -1.229 107.601 108.800 0.050 0.000 2.484 292 G HA2 0.493 4.453 3.960 -0.000 0.000 0.235 292 G HA3 0.493 4.453 3.960 -0.000 0.000 0.235 292 G C 0.744 175.671 174.900 0.044 0.000 1.282 292 G CA 0.371 45.496 45.100 0.043 0.000 0.857 292 G HN 1.250 nan 8.290 nan 0.000 0.571 293 A N 2.454 125.291 122.820 0.028 0.000 3.046 293 A HA 0.451 4.771 4.320 -0.000 0.000 0.259 293 A C 1.410 179.007 177.584 0.020 0.000 1.843 293 A CA 0.405 52.451 52.037 0.014 0.000 1.451 293 A CB -1.195 17.806 19.000 0.001 0.000 1.025 293 A HN 1.159 nan 8.150 nan 0.000 0.625 294 T N -2.262 112.314 114.554 0.037 0.000 2.766 294 T HA 0.160 4.510 4.350 -0.000 0.000 0.295 294 T C 1.176 175.886 174.700 0.017 0.000 1.024 294 T CA 0.219 62.343 62.100 0.040 0.000 1.018 294 T CB 0.794 69.707 68.868 0.074 0.000 1.002 294 T HN 0.504 nan 8.240 nan 0.000 0.532 295 K N 0.321 120.731 120.400 0.016 0.000 2.063 295 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 295 K C 2.013 178.590 176.600 -0.040 0.000 1.048 295 K CA 1.784 58.071 56.287 0.001 0.000 0.928 295 K CB -0.189 32.314 32.500 0.005 0.000 0.713 295 K HN 0.695 nan 8.250 nan 0.000 0.442 296 E N 0.301 120.476 120.200 -0.041 0.000 2.031 296 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 296 E C 2.062 178.420 176.600 -0.402 0.000 0.994 296 E CA 1.231 57.537 56.400 -0.156 0.000 0.800 296 E CB -0.101 29.613 29.700 0.024 0.000 0.752 296 E HN 0.229 nan 8.360 nan 0.000 0.447 297 R N 0.218 120.593 120.500 -0.208 0.000 2.092 297 R HA -0.079 4.261 4.340 -0.000 0.000 0.231 297 R C 2.070 178.238 176.300 -0.219 0.000 1.119 297 R CA 1.040 57.009 56.100 -0.219 0.000 0.970 297 R CB -0.141 30.209 30.300 0.085 0.000 0.864 297 R HN 0.085 nan 8.270 nan 0.000 0.440 298 V N 0.234 120.073 119.914 -0.126 0.000 2.490 298 V HA -0.214 3.906 4.120 -0.000 0.000 0.250 298 V C 2.083 178.148 176.094 -0.048 0.000 1.061 298 V CA 2.131 64.371 62.300 -0.100 0.000 1.064 298 V CB -0.446 31.372 31.823 -0.010 0.000 0.670 298 V HN 0.440 nan 8.190 nan 0.000 0.461 299 T N -0.668 113.842 114.554 -0.073 0.000 2.708 299 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 299 T C 1.928 176.544 174.700 -0.140 0.000 1.037 299 T CA 1.308 63.383 62.100 -0.041 0.000 1.146 299 T CB -0.228 68.561 68.868 -0.131 0.000 0.865 299 T HN 0.403 nan 8.240 nan 0.000 0.435 300 E N 1.225 121.199 120.200 -0.377 0.000 2.085 300 E HA -0.071 4.279 4.350 -0.000 0.000 0.194 300 E C 2.549 178.991 176.600 -0.264 0.000 0.994 300 E CA 1.176 57.312 56.400 -0.440 0.000 0.801 300 E CB -0.559 28.623 29.700 -0.863 0.000 0.743 300 E HN 0.497 nan 8.360 nan 0.000 0.453 301 A N 0.640 123.312 122.820 -0.246 0.000 1.883 301 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 301 A C 2.114 179.564 177.584 -0.223 0.000 1.186 301 A CA 1.391 53.280 52.037 -0.247 0.000 0.624 301 A CB -0.893 17.923 19.000 -0.307 0.000 0.822 301 A HN 0.165 nan 8.150 nan 0.000 0.444 302 F N 0.424 120.293 119.950 -0.134 0.000 2.069 302 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 302 F C 2.418 178.151 175.800 -0.111 0.000 1.113 302 F CA 1.908 59.846 58.000 -0.104 0.000 1.214 302 F CB -0.339 38.605 39.000 -0.094 0.000 0.978 302 F HN 0.131 nan 8.300 nan 0.000 0.474 303 K N 0.169 120.610 120.400 0.067 0.000 2.044 303 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 303 K C 2.104 178.665 176.600 -0.066 0.000 1.049 303 K CA 1.981 58.258 56.287 -0.016 0.000 0.927 303 K CB -0.705 31.756 32.500 -0.065 0.000 0.713 303 K HN 0.313 nan 8.250 nan 0.000 0.443 304 I N 0.904 121.389 120.570 -0.143 0.000 2.179 304 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 304 I C 2.427 178.394 176.117 -0.250 0.000 1.088 304 I CA 1.208 62.351 61.300 -0.262 0.000 1.357 304 I CB -0.346 37.404 38.000 -0.416 0.000 1.051 304 I HN 0.111 nan 8.210 nan 0.000 0.409 305 I N 0.736 121.214 120.570 -0.153 0.000 2.127 305 I HA -0.304 3.866 4.170 -0.000 0.000 0.241 305 I C 2.335 178.476 176.117 0.040 0.000 1.075 305 I CA 1.614 62.907 61.300 -0.012 0.000 1.334 305 I CB -0.299 37.706 38.000 0.009 0.000 1.040 305 I HN 0.204 nan 8.210 nan 0.000 0.405 306 L N 0.688 121.940 121.223 0.049 0.000 2.549 306 L HA -0.112 4.228 4.340 -0.000 0.000 0.229 306 L C 2.522 179.409 176.870 0.029 0.000 1.158 306 L CA 0.836 55.708 54.840 0.055 0.000 0.842 306 L CB -0.629 41.470 42.059 0.066 0.000 0.952 306 L HN 0.369 nan 8.230 nan 0.000 0.452 307 S N -2.073 113.630 115.700 0.005 0.000 2.500 307 S HA -0.133 4.337 4.470 -0.000 0.000 0.239 307 S C 0.810 175.429 174.600 0.030 0.000 0.989 307 S CA 0.266 58.469 58.200 0.004 0.000 0.951 307 S CB -0.340 62.846 63.200 -0.022 0.000 0.759 307 S HN 0.357 nan 8.310 nan 0.000 0.523 308 D N 1.383 121.814 120.400 0.052 0.000 2.317 308 D HA 0.231 4.871 4.640 -0.000 0.000 0.234 308 D C -0.387 175.944 176.300 0.051 0.000 1.112 308 D CA -0.232 53.808 54.000 0.066 0.000 0.840 308 D CB 1.361 42.221 40.800 0.100 0.000 1.078 308 D HN 0.066 nan 8.370 nan 0.000 0.486 309 D N 2.497 122.922 120.400 0.041 0.000 2.263 309 D HA -0.128 4.512 4.640 -0.000 0.000 0.208 309 D C 1.544 177.865 176.300 0.034 0.000 0.971 309 D CA 1.039 55.058 54.000 0.033 0.000 0.867 309 D CB 0.346 41.161 40.800 0.026 0.000 0.929 309 D HN 0.407 nan 8.370 nan 0.000 0.492 310 K N 0.104 120.529 120.400 0.041 0.000 2.211 310 K HA 0.002 4.322 4.320 -0.000 0.000 0.203 310 K C 0.201 176.826 176.600 0.041 0.000 1.050 310 K CA 0.276 56.587 56.287 0.039 0.000 0.945 310 K CB 0.195 32.720 32.500 0.042 0.000 0.732 310 K HN 0.028 nan 8.250 nan 0.000 0.451 311 V N 3.002 122.945 119.914 0.049 0.000 2.493 311 V HA -0.065 4.055 4.120 -0.000 0.000 0.292 311 V C 0.979 177.099 176.094 0.043 0.000 1.016 311 V CA 0.680 63.012 62.300 0.052 0.000 1.097 311 V CB 0.776 32.638 31.823 0.066 0.000 0.947 311 V HN 0.220 nan 8.190 nan 0.000 0.479 312 K N 3.161 123.585 120.400 0.040 0.000 2.399 312 K HA 0.514 4.834 4.320 -0.000 0.000 0.196 312 K C 0.346 176.967 176.600 0.034 0.000 1.103 312 K CA 0.678 56.984 56.287 0.032 0.000 0.986 312 K CB 1.187 33.703 32.500 0.027 0.000 0.952 312 K HN 0.728 nan 8.250 nan 0.000 0.541 313 A N 0.340 123.186 122.820 0.044 0.000 2.609 313 A HA 0.671 4.991 4.320 -0.000 0.000 0.291 313 A C -1.445 176.179 177.584 0.067 0.000 1.096 313 A CA -0.590 51.476 52.037 0.049 0.000 0.684 313 A CB 1.743 20.766 19.000 0.037 0.000 1.282 313 A HN -0.144 nan 8.150 nan 0.000 0.412 314 V N 1.246 121.212 119.914 0.086 0.000 2.525 314 V HA 0.497 4.617 4.120 -0.000 0.000 0.299 314 V C -1.113 175.028 176.094 0.078 0.000 1.034 314 V CA -0.401 61.961 62.300 0.103 0.000 0.863 314 V CB 1.403 33.357 31.823 0.218 0.000 0.999 314 V HN 0.895 nan 8.190 nan 0.000 0.423 315 L N 7.048 128.293 121.223 0.035 0.000 2.272 315 L HA 0.715 5.055 4.340 -0.000 0.000 0.289 315 L C -0.499 176.364 176.870 -0.012 0.000 1.032 315 L CA 0.129 54.978 54.840 0.016 0.000 0.810 315 L CB 1.535 43.598 42.059 0.006 0.000 1.205 315 L HN 0.435 nan 8.230 nan 0.000 0.422 316 V N 5.205 125.115 119.914 -0.006 0.000 2.398 316 V HA 0.517 4.637 4.120 -0.000 0.000 0.286 316 V C -0.450 175.630 176.094 -0.023 0.000 1.026 316 V CA -0.585 61.692 62.300 -0.039 0.000 0.868 316 V CB 1.483 33.294 31.823 -0.019 0.000 0.982 316 V HN 0.857 nan 8.190 nan 0.000 0.443 317 N N 4.907 123.590 118.700 -0.029 0.000 2.504 317 N HA 0.566 5.306 4.740 -0.000 0.000 0.280 317 N C -1.389 174.127 175.510 0.009 0.000 1.052 317 N CA -0.312 52.736 53.050 -0.004 0.000 0.887 317 N CB 1.163 39.655 38.487 0.009 0.000 1.323 317 N HN 0.615 nan 8.380 nan 0.000 0.509 318 I N 2.732 123.311 120.570 0.015 0.000 2.447 318 I HA 0.389 4.559 4.170 -0.000 0.000 0.287 318 I C -1.215 174.946 176.117 0.072 0.000 1.023 318 I CA -0.917 60.406 61.300 0.039 0.000 1.083 318 I CB 1.477 39.481 38.000 0.007 0.000 1.245 318 I HN 0.392 nan 8.210 nan 0.000 0.434 319 F N 5.868 125.811 119.950 -0.013 0.000 2.375 319 F HA 0.660 5.187 4.527 -0.000 0.000 0.361 319 F C 0.967 176.765 175.800 -0.004 0.000 1.117 319 F CA -0.013 57.984 58.000 -0.006 0.000 1.037 319 F CB 0.941 39.939 39.000 -0.004 0.000 1.192 319 F HN 0.744 nan 8.300 nan 0.000 0.452 320 G N 4.004 112.954 108.800 0.250 0.000 2.698 320 G HA2 0.040 4.000 3.960 -0.000 0.000 0.337 320 G HA3 0.040 4.000 3.960 -0.000 0.000 0.337 320 G C 0.968 175.952 174.900 0.139 0.000 1.196 320 G CA 0.693 45.925 45.100 0.219 0.000 0.965 320 G HN 2.196 nan 8.290 nan 0.000 0.550 321 G N -1.314 107.567 108.800 0.135 0.000 2.527 321 G HA2 0.154 4.114 3.960 -0.000 0.000 0.227 321 G HA3 0.154 4.114 3.960 -0.000 0.000 0.227 321 G C 0.698 175.633 174.900 0.058 0.000 1.291 321 G CA 1.483 46.629 45.100 0.078 0.000 0.904 321 G HN 2.220 nan 8.290 nan 0.000 0.577 322 I N -0.654 119.941 120.570 0.042 0.000 3.928 322 I HA 0.519 4.689 4.170 -0.000 0.000 0.335 322 I C 0.619 176.753 176.117 0.029 0.000 1.325 322 I CA -0.044 61.276 61.300 0.033 0.000 1.107 322 I CB -0.980 37.035 38.000 0.027 0.000 1.014 322 I HN 0.446 nan 8.210 nan 0.000 0.400 323 V N 1.092 121.024 119.914 0.030 0.000 3.126 323 V HA 0.508 4.628 4.120 -0.000 0.000 0.314 323 V C 0.254 176.358 176.094 0.017 0.000 1.138 323 V CA -0.941 61.372 62.300 0.022 0.000 1.034 323 V CB 2.362 34.198 31.823 0.020 0.000 1.075 323 V HN 0.147 nan 8.190 nan 0.000 0.442 324 R N -0.183 120.322 120.500 0.009 0.000 2.404 324 R HA 0.325 4.665 4.340 -0.000 0.000 0.291 324 R C 0.658 176.954 176.300 -0.008 0.000 1.025 324 R CA -0.516 55.584 56.100 -0.000 0.000 0.991 324 R CB 0.814 31.113 30.300 -0.001 0.000 1.053 324 R HN 0.836 nan 8.270 nan 0.000 0.479 325 C N 1.409 120.696 119.300 -0.022 0.000 2.403 325 C HA -0.142 4.318 4.460 -0.000 0.000 0.279 325 C C 2.141 177.119 174.990 -0.021 0.000 1.269 325 C CA 1.247 60.247 59.018 -0.031 0.000 1.774 325 C CB -0.863 26.844 27.740 -0.056 0.000 1.993 325 C HN 0.904 nan 8.230 nan 0.000 0.496 326 D N 0.807 121.197 120.400 -0.017 0.000 2.149 326 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 326 D C 1.947 178.243 176.300 -0.006 0.000 0.972 326 D CA 1.004 54.997 54.000 -0.012 0.000 0.835 326 D CB -0.706 40.087 40.800 -0.011 0.000 0.966 326 D HN 0.456 nan 8.370 nan 0.000 0.476 327 L N 0.233 121.455 121.223 -0.002 0.000 2.056 327 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 327 L C 2.858 179.732 176.870 0.005 0.000 1.078 327 L CA 0.715 55.557 54.840 0.003 0.000 0.749 327 L CB -0.285 41.778 42.059 0.006 0.000 0.901 327 L HN -0.057 nan 8.230 nan 0.000 0.433 328 I N -0.157 120.415 120.570 0.004 0.000 2.361 328 I HA -0.268 3.902 4.170 -0.000 0.000 0.251 328 I C 2.750 178.873 176.117 0.009 0.000 1.133 328 I CA 1.003 62.307 61.300 0.007 0.000 1.413 328 I CB -0.370 37.631 38.000 0.002 0.000 1.073 328 I HN 0.203 nan 8.210 nan 0.000 0.424 329 A N 0.378 123.200 122.820 0.003 0.000 1.902 329 A HA -0.230 4.089 4.320 -0.000 0.000 0.217 329 A C 2.005 179.593 177.584 0.008 0.000 1.181 329 A CA 1.882 53.922 52.037 0.004 0.000 0.623 329 A CB -0.495 18.502 19.000 -0.005 0.000 0.818 329 A HN 0.336 nan 8.150 nan 0.000 0.443 330 D N -0.361 120.042 120.400 0.005 0.000 2.117 330 D HA -0.089 4.551 4.640 -0.000 0.000 0.198 330 D C 2.133 178.438 176.300 0.008 0.000 0.982 330 D CA 1.480 55.482 54.000 0.003 0.000 0.828 330 D CB -0.629 40.172 40.800 0.002 0.000 0.967 330 D HN 0.434 nan 8.370 nan 0.000 0.464 331 G N 1.198 110.006 108.800 0.014 0.000 2.440 331 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 331 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 331 G C 1.827 176.750 174.900 0.039 0.000 1.154 331 G CA 0.362 45.474 45.100 0.021 0.000 0.767 331 G HN 0.267 nan 8.290 nan 0.000 0.552 332 I N 0.459 121.061 120.570 0.054 0.000 2.286 332 I HA -0.127 4.043 4.170 -0.000 0.000 0.248 332 I C 2.648 178.797 176.117 0.054 0.000 1.115 332 I CA 0.756 62.121 61.300 0.107 0.000 1.392 332 I CB -0.223 37.842 38.000 0.109 0.000 1.065 332 I HN 0.166 nan 8.210 nan 0.000 0.418 333 I N 0.786 121.364 120.570 0.014 0.000 2.202 333 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 333 I C 2.739 178.834 176.117 -0.036 0.000 1.091 333 I CA 1.620 62.907 61.300 -0.021 0.000 1.368 333 I CB -0.951 37.039 38.000 -0.017 0.000 1.058 333 I HN 0.250 nan 8.210 nan 0.000 0.410 334 G N 0.605 109.393 108.800 -0.019 0.000 2.440 334 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 334 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 334 G C 1.851 176.727 174.900 -0.040 0.000 1.154 334 G CA 0.944 46.029 45.100 -0.025 0.000 0.767 334 G HN 0.494 nan 8.290 nan 0.000 0.552 335 A N 0.230 123.038 122.820 -0.020 0.000 1.845 335 A HA 0.035 4.355 4.320 -0.000 0.000 0.215 335 A C 2.623 180.115 177.584 -0.154 0.000 1.195 335 A CA 2.035 54.059 52.037 -0.021 0.000 0.616 335 A CB -0.926 18.151 19.000 0.129 0.000 0.832 335 A HN 0.295 nan 8.150 nan 0.000 0.443 336 V N 0.087 119.844 119.914 -0.262 0.000 2.282 336 V HA -0.327 3.793 4.120 -0.000 0.000 0.249 336 V C 3.058 179.001 176.094 -0.252 0.000 1.057 336 V CA 2.251 64.292 62.300 -0.432 0.000 1.032 336 V CB -1.397 30.212 31.823 -0.358 0.000 0.645 336 V HN 0.652 nan 8.190 nan 0.000 0.447 337 A N -0.738 121.989 122.820 -0.155 0.000 1.877 337 A HA -0.281 4.039 4.320 -0.000 0.000 0.216 337 A C 2.322 179.847 177.584 -0.098 0.000 1.186 337 A CA 2.035 54.007 52.037 -0.108 0.000 0.620 337 A CB -0.524 18.432 19.000 -0.074 0.000 0.822 337 A HN 0.615 nan 8.150 nan 0.000 0.443 338 E N -0.434 119.711 120.200 -0.091 0.000 2.152 338 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 338 E C 1.759 178.309 176.600 -0.083 0.000 0.983 338 E CA 1.116 57.472 56.400 -0.073 0.000 0.818 338 E CB 0.012 29.677 29.700 -0.058 0.000 0.758 338 E HN 0.363 nan 8.360 nan 0.000 0.467 339 V N -0.053 119.791 119.914 -0.116 0.000 2.488 339 V HA 0.017 4.137 4.120 -0.000 0.000 0.246 339 V C 1.302 177.328 176.094 -0.114 0.000 1.046 339 V CA 1.078 63.310 62.300 -0.114 0.000 1.053 339 V CB -0.118 31.617 31.823 -0.147 0.000 0.679 339 V HN 0.522 nan 8.190 nan 0.000 0.458 340 G N 1.010 109.726 108.800 -0.139 0.000 2.341 340 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.278 340 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.278 340 G C -0.084 174.740 174.900 -0.128 0.000 1.111 340 G CA 0.006 45.037 45.100 -0.115 0.000 0.982 340 G HN 0.386 nan 8.290 nan 0.000 0.502 341 V N 0.175 119.972 119.914 -0.195 0.000 2.509 341 V HA 0.021 4.141 4.120 -0.000 0.000 0.297 341 V C 1.390 177.416 176.094 -0.114 0.000 1.014 341 V CA 1.183 63.368 62.300 -0.191 0.000 1.127 341 V CB 0.608 32.233 31.823 -0.330 0.000 0.925 341 V HN 0.605 nan 8.190 nan 0.000 0.480 342 N N 2.624 121.281 118.700 -0.071 0.000 2.320 342 N HA 0.298 5.038 4.740 -0.000 0.000 0.237 342 N C -0.392 175.101 175.510 -0.029 0.000 1.129 342 N CA -0.212 52.811 53.050 -0.045 0.000 0.854 342 N CB 0.811 39.279 38.487 -0.031 0.000 1.083 342 N HN 0.656 nan 8.380 nan 0.000 0.504 343 V N -3.318 116.578 119.914 -0.030 0.000 3.159 343 V HA 0.638 4.758 4.120 -0.000 0.000 0.308 343 V C -2.943 173.146 176.094 -0.009 0.000 1.190 343 V CA -2.665 59.630 62.300 -0.008 0.000 1.037 343 V CB 1.726 33.557 31.823 0.014 0.000 1.060 343 V HN -0.196 nan 8.190 nan 0.000 0.437 344 P HA 0.366 nan 4.420 nan 0.000 0.268 344 P C -0.933 176.382 177.300 0.024 0.000 1.205 344 P CA 0.058 63.162 63.100 0.006 0.000 0.771 344 P CB 0.782 32.488 31.700 0.010 0.000 0.858 345 V N 4.227 124.155 119.914 0.023 0.000 2.447 345 V HA 0.201 4.321 4.120 -0.000 0.000 0.292 345 V C -0.143 175.979 176.094 0.048 0.000 1.021 345 V CA -0.618 61.718 62.300 0.061 0.000 0.850 345 V CB 2.078 33.942 31.823 0.068 0.000 1.005 345 V HN 0.198 nan 8.190 nan 0.000 0.426 346 V N 6.115 126.058 119.914 0.048 0.000 2.370 346 V HA 0.501 4.621 4.120 -0.000 0.000 0.279 346 V C -0.007 176.106 176.094 0.031 0.000 1.029 346 V CA -0.410 61.906 62.300 0.027 0.000 0.870 346 V CB 1.754 33.584 31.823 0.013 0.000 0.984 346 V HN 0.603 nan 8.190 nan 0.000 0.451 347 V N 5.594 125.521 119.914 0.022 0.000 2.667 347 V HA 0.669 4.789 4.120 -0.000 0.000 0.308 347 V C 0.018 176.109 176.094 -0.004 0.000 1.048 347 V CA -0.859 61.452 62.300 0.018 0.000 0.928 347 V CB 2.117 33.956 31.823 0.027 0.000 1.004 347 V HN 0.748 nan 8.190 nan 0.000 0.444 348 R N 4.037 124.530 120.500 -0.012 0.000 2.521 348 R HA 0.515 4.855 4.340 -0.000 0.000 0.295 348 R C -1.727 174.548 176.300 -0.041 0.000 1.183 348 R CA -0.370 55.714 56.100 -0.026 0.000 0.957 348 R CB 1.127 31.415 30.300 -0.020 0.000 1.171 348 R HN 0.712 nan 8.270 nan 0.000 0.494 349 L N 2.351 123.537 121.223 -0.060 0.000 2.322 349 L HA 0.535 4.875 4.340 -0.000 0.000 0.279 349 L C -0.080 176.690 176.870 -0.166 0.000 1.036 349 L CA -0.721 54.065 54.840 -0.090 0.000 0.807 349 L CB 1.759 43.777 42.059 -0.069 0.000 1.226 349 L HN 0.460 nan 8.230 nan 0.000 0.433 350 E N 0.801 120.837 120.200 -0.275 0.000 2.352 350 E HA 0.720 5.070 4.350 -0.000 0.000 0.280 350 E C -0.396 175.839 176.600 -0.607 0.000 0.930 350 E CA 0.327 56.421 56.400 -0.510 0.000 0.765 350 E CB 2.104 31.315 29.700 -0.815 0.000 1.219 350 E HN 0.721 nan 8.360 nan 0.000 0.434 351 G N 3.005 111.516 108.800 -0.483 0.000 2.301 351 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.194 351 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.194 351 G C -0.882 173.947 174.900 -0.118 0.000 1.266 351 G CA -0.473 44.466 45.100 -0.269 0.000 1.210 351 G HN 0.606 nan 8.290 nan 0.000 0.524 352 N N 2.151 120.820 118.700 -0.052 0.000 2.438 352 N HA 0.342 5.082 4.740 -0.000 0.000 0.267 352 N C 0.696 176.184 175.510 -0.037 0.000 1.222 352 N CA 0.999 54.032 53.050 -0.029 0.000 0.930 352 N CB -0.130 38.355 38.487 -0.005 0.000 1.083 352 N HN 0.656 nan 8.380 nan 0.000 0.476 353 N N 1.382 120.061 118.700 -0.036 0.000 2.776 353 N HA -0.212 4.528 4.740 -0.000 0.000 0.249 353 N C 0.560 176.042 175.510 -0.047 0.000 1.111 353 N CA 0.778 53.808 53.050 -0.033 0.000 0.711 353 N CB -1.377 37.097 38.487 -0.023 0.000 1.065 353 N HN 0.633 nan 8.380 nan 0.000 0.556 354 A N 0.204 122.983 122.820 -0.068 0.000 1.917 354 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 354 A C 2.076 179.624 177.584 -0.061 0.000 1.182 354 A CA 2.005 53.991 52.037 -0.086 0.000 0.633 354 A CB -0.208 18.719 19.000 -0.122 0.000 0.819 354 A HN 0.595 nan 8.150 nan 0.000 0.448 355 E N -1.033 119.139 120.200 -0.047 0.000 2.076 355 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 355 E C 1.926 178.509 176.600 -0.028 0.000 0.979 355 E CA 0.860 57.239 56.400 -0.035 0.000 0.807 355 E CB -0.228 29.454 29.700 -0.029 0.000 0.761 355 E HN 0.484 nan 8.360 nan 0.000 0.454 356 L N 0.885 122.093 121.223 -0.025 0.000 2.079 356 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 356 L C 2.009 178.867 176.870 -0.020 0.000 1.081 356 L CA 2.210 57.038 54.840 -0.020 0.000 0.752 356 L CB -0.828 41.221 42.059 -0.017 0.000 0.896 356 L HN 0.112 nan 8.230 nan 0.000 0.433 357 G N -1.302 107.483 108.800 -0.025 0.000 2.394 357 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.215 357 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.215 357 G C 1.617 176.505 174.900 -0.021 0.000 1.165 357 G CA 0.657 45.744 45.100 -0.023 0.000 0.784 357 G HN 0.631 nan 8.290 nan 0.000 0.535 358 A N 0.790 123.594 122.820 -0.027 0.000 1.948 358 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 358 A C 2.187 179.760 177.584 -0.018 0.000 1.177 358 A CA 2.242 54.265 52.037 -0.024 0.000 0.636 358 A CB -0.440 18.543 19.000 -0.028 0.000 0.815 358 A HN 0.415 nan 8.150 nan 0.000 0.449 359 K N 0.083 120.473 120.400 -0.017 0.000 1.985 359 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 359 K C 1.981 178.573 176.600 -0.013 0.000 1.047 359 K CA 1.821 58.099 56.287 -0.014 0.000 0.932 359 K CB -0.275 32.217 32.500 -0.014 0.000 0.716 359 K HN 0.475 nan 8.250 nan 0.000 0.439 360 K N 0.662 121.054 120.400 -0.012 0.000 2.127 360 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 360 K C 2.236 178.830 176.600 -0.011 0.000 1.047 360 K CA 1.546 57.827 56.287 -0.011 0.000 0.927 360 K CB -0.241 32.253 32.500 -0.010 0.000 0.716 360 K HN 0.233 nan 8.250 nan 0.000 0.450 361 L N 0.491 121.708 121.223 -0.010 0.000 2.044 361 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 361 L C 2.667 179.530 176.870 -0.011 0.000 1.075 361 L CA 1.011 55.845 54.840 -0.009 0.000 0.747 361 L CB -0.597 41.458 42.059 -0.006 0.000 0.903 361 L HN 0.206 nan 8.230 nan 0.000 0.435 362 A N -0.437 122.376 122.820 -0.011 0.000 2.019 362 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 362 A C 1.673 179.250 177.584 -0.012 0.000 1.164 362 A CA 1.840 53.870 52.037 -0.011 0.000 0.644 362 A CB -0.352 18.641 19.000 -0.011 0.000 0.805 362 A HN 0.416 nan 8.150 nan 0.000 0.449 363 D N -0.561 119.832 120.400 -0.012 0.000 2.360 363 D HA -0.013 4.627 4.640 -0.000 0.000 0.210 363 D C 2.052 178.343 176.300 -0.014 0.000 1.047 363 D CA 0.952 54.945 54.000 -0.012 0.000 0.854 363 D CB -0.073 40.720 40.800 -0.011 0.000 0.936 363 D HN 0.577 nan 8.370 nan 0.000 0.514 364 S N 0.357 116.047 115.700 -0.016 0.000 2.440 364 S HA -0.115 4.355 4.470 -0.000 0.000 0.240 364 S C 2.020 176.607 174.600 -0.022 0.000 1.014 364 S CA 1.507 59.696 58.200 -0.019 0.000 0.980 364 S CB -0.499 62.688 63.200 -0.022 0.000 0.775 364 S HN 0.344 nan 8.310 nan 0.000 0.499 365 G N 0.725 109.512 108.800 -0.020 0.000 2.284 365 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.261 365 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.261 365 G C 0.154 175.038 174.900 -0.026 0.000 0.997 365 G CA 0.586 45.673 45.100 -0.021 0.000 0.621 365 G HN 0.586 nan 8.290 nan 0.000 0.534 366 L N 0.031 121.235 121.223 -0.032 0.000 2.482 366 L HA 0.341 4.681 4.340 -0.000 0.000 0.242 366 L C 1.234 178.082 176.870 -0.037 0.000 1.210 366 L CA -0.600 54.215 54.840 -0.042 0.000 0.819 366 L CB 0.111 42.136 42.059 -0.056 0.000 1.203 366 L HN 0.096 nan 8.230 nan 0.000 0.495 367 N N 1.670 120.344 118.700 -0.044 0.000 3.254 367 N HA 0.207 4.947 4.740 -0.000 0.000 0.308 367 N C -1.053 174.439 175.510 -0.030 0.000 1.281 367 N CA 0.112 53.141 53.050 -0.034 0.000 1.212 367 N CB -0.422 38.043 38.487 -0.038 0.000 1.478 367 N HN 0.348 nan 8.380 nan 0.000 0.548 368 I N 2.710 123.266 120.570 -0.022 0.000 2.420 368 I HA 0.265 4.435 4.170 -0.000 0.000 0.282 368 I C -0.451 175.663 176.117 -0.005 0.000 1.019 368 I CA -0.947 60.347 61.300 -0.011 0.000 1.130 368 I CB 1.243 39.236 38.000 -0.011 0.000 1.262 368 I HN -0.045 nan 8.210 nan 0.000 0.454 369 I N 5.738 126.308 120.570 0.000 0.000 2.379 369 I HA 0.243 4.413 4.170 -0.000 0.000 0.290 369 I C 0.838 176.954 176.117 -0.001 0.000 1.063 369 I CA 0.224 61.523 61.300 -0.002 0.000 1.351 369 I CB 1.111 39.110 38.000 -0.001 0.000 1.410 369 I HN 0.565 nan 8.210 nan 0.000 0.505 370 A N 6.306 129.122 122.820 -0.006 0.000 2.391 370 A HA 0.776 5.096 4.320 -0.000 0.000 0.316 370 A C 0.559 178.135 177.584 -0.013 0.000 1.381 370 A CA -0.486 51.545 52.037 -0.009 0.000 0.998 370 A CB -0.297 18.696 19.000 -0.012 0.000 1.147 370 A HN 0.806 nan 8.150 nan 0.000 0.545 371 A N 3.051 125.862 122.820 -0.015 0.000 2.327 371 A HA 0.569 4.889 4.320 -0.000 0.000 0.255 371 A C 0.294 177.863 177.584 -0.024 0.000 1.099 371 A CA -0.154 51.871 52.037 -0.019 0.000 0.801 371 A CB 0.238 19.225 19.000 -0.023 0.000 1.062 371 A HN 0.714 nan 8.150 nan 0.000 0.496 372 K N 0.590 120.976 120.400 -0.024 0.000 2.575 372 K HA 0.549 4.869 4.320 -0.000 0.000 0.236 372 K C -0.184 176.402 176.600 -0.023 0.000 0.976 372 K CA 0.301 56.573 56.287 -0.024 0.000 0.985 372 K CB 1.346 33.835 32.500 -0.018 0.000 1.198 372 K HN 1.639 nan 8.250 nan 0.000 0.464 373 G N 1.368 110.152 108.800 -0.026 0.000 2.719 373 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.686 373 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.686 373 G C -0.034 174.852 174.900 -0.022 0.000 1.201 373 G CA -0.827 44.262 45.100 -0.018 0.000 0.768 373 G HN 0.436 nan 8.290 nan 0.000 0.629 374 L N 1.468 122.685 121.223 -0.010 0.000 2.017 374 L HA 0.050 4.390 4.340 -0.000 0.000 0.208 374 L C 3.021 179.852 176.870 -0.065 0.000 1.073 374 L CA 3.429 58.258 54.840 -0.018 0.000 0.745 374 L CB -0.911 41.157 42.059 0.014 0.000 0.894 374 L HN 0.864 nan 8.230 nan 0.000 0.432 375 T N -0.813 113.702 114.554 -0.066 0.000 2.720 375 T HA -0.228 4.122 4.350 -0.000 0.000 0.268 375 T C 1.488 176.079 174.700 -0.183 0.000 1.037 375 T CA 1.570 63.579 62.100 -0.152 0.000 1.144 375 T CB -0.385 68.460 68.868 -0.039 0.000 0.864 375 T HN 0.511 nan 8.240 nan 0.000 0.444 376 D N 1.318 121.665 120.400 -0.087 0.000 2.087 376 D HA -0.093 4.547 4.640 -0.000 0.000 0.192 376 D C 2.325 178.578 176.300 -0.078 0.000 0.993 376 D CA 1.641 55.601 54.000 -0.065 0.000 0.828 376 D CB -0.569 40.210 40.800 -0.034 0.000 0.968 376 D HN 0.298 nan 8.370 nan 0.000 0.448 377 A N 0.704 123.485 122.820 -0.066 0.000 1.915 377 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 377 A C 2.466 180.006 177.584 -0.072 0.000 1.198 377 A CA 3.278 55.283 52.037 -0.053 0.000 0.647 377 A CB -1.417 17.559 19.000 -0.039 0.000 0.825 377 A HN 0.418 nan 8.150 nan 0.000 0.456 378 A N -0.955 121.788 122.820 -0.128 0.000 1.883 378 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 378 A C 2.130 179.630 177.584 -0.139 0.000 1.186 378 A CA 1.773 53.715 52.037 -0.159 0.000 0.624 378 A CB -0.695 18.120 19.000 -0.307 0.000 0.822 378 A HN 0.689 nan 8.150 nan 0.000 0.444 379 Q N -0.664 119.025 119.800 -0.184 0.000 2.135 379 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 379 Q C 2.343 178.332 176.000 -0.018 0.000 0.981 379 Q CA 1.630 57.395 55.803 -0.064 0.000 0.856 379 Q CB -0.247 28.470 28.738 -0.034 0.000 0.902 379 Q HN 0.751 nan 8.270 nan 0.000 0.425 380 Q N 0.116 119.899 119.800 -0.028 0.000 2.046 380 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 380 Q C 2.478 178.478 176.000 -0.001 0.000 0.975 380 Q CA 1.866 57.663 55.803 -0.010 0.000 0.836 380 Q CB -0.280 28.451 28.738 -0.012 0.000 0.896 380 Q HN 0.431 nan 8.270 nan 0.000 0.428 381 V N -1.816 118.096 119.914 -0.004 0.000 2.343 381 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 381 V C 2.282 178.386 176.094 0.017 0.000 1.051 381 V CA 1.521 63.826 62.300 0.009 0.000 1.036 381 V CB -1.138 30.692 31.823 0.011 0.000 0.654 381 V HN 0.066 nan 8.190 nan 0.000 0.451 382 V N 1.106 121.031 119.914 0.019 0.000 2.407 382 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 382 V C 3.062 179.173 176.094 0.029 0.000 1.055 382 V CA 2.152 64.471 62.300 0.033 0.000 1.049 382 V CB -1.381 30.474 31.823 0.053 0.000 0.662 382 V HN 0.672 nan 8.190 nan 0.000 0.455 383 A N 0.424 123.258 122.820 0.023 0.000 1.845 383 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 383 A C 2.411 180.005 177.584 0.017 0.000 1.195 383 A CA 1.877 53.926 52.037 0.020 0.000 0.616 383 A CB -1.080 17.929 19.000 0.016 0.000 0.832 383 A HN 0.623 nan 8.150 nan 0.000 0.443 384 A N -0.935 121.894 122.820 0.015 0.000 2.255 384 A HA 0.209 4.529 4.320 -0.000 0.000 0.218 384 A C 1.103 178.697 177.584 0.016 0.000 1.175 384 A CA 1.406 53.451 52.037 0.014 0.000 0.682 384 A CB -0.800 18.208 19.000 0.014 0.000 0.784 384 A HN 0.317 nan 8.150 nan 0.000 0.482 385 V N 0.000 119.926 119.914 0.019 0.000 2.409 385 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 385 V CA 0.000 62.312 62.300 0.021 0.000 1.235 385 V CB 0.000 31.838 31.823 0.025 0.000 1.184 385 V HN 0.000 nan 8.190 nan 0.000 0.556