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 1n97_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRLSLREAW PYLKDLQQDP LAVLLAWGRA HPRLFLPLPR FPLALIFDPE DATA SEQUENCE GVEGALLAEG TTKATFQYRA LSRLTGRGLL TDWGESWKEA RKALKDPFLP DATA SEQUENCE KNVRGYREAM EEEARAFFGE WRGEERDLDH EMLALSLRLL GRALFGKPLS DATA SEQUENCE PSLAEHALKA LDRIMAQTRS PLALLDLAAE ARFRKDRGAL YREAEALIVH DATA SEQUENCE PPLSHLPRER ALSEAVTLLV AGHETVASAL TWSFLLLSHR PDWQKRVAES DATA SEQUENCE EEAALAAFQE ALRLYPPAWI LTRRLERPLL LGEDRLPPGT TLVLSPYVTQ DATA SEQUENCE RLHFPDGEAF RPERFLEERG TPSGRYFPFG LGQRLCLGRD FALLEGPIVL DATA SEQUENCE RAFFRRFRLD PLPFPRVLAQ VTLRPEGGLP ARPRE 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 0.000 176.241 176.300 -0.099 0.000 1.140 1 M CA 0.000 55.283 55.300 -0.028 0.000 0.988 1 M CB 0.000 32.592 32.600 -0.014 0.000 1.302 2 K N 2.765 123.022 120.400 -0.238 0.000 2.419 2 K HA 0.407 4.733 4.320 0.009 0.000 0.282 2 K C -0.572 175.935 176.600 -0.155 0.000 1.056 2 K CA 0.144 56.228 56.287 -0.338 0.000 1.035 2 K CB -0.120 31.893 32.500 -0.811 0.000 0.921 2 K HN 0.747 nan 8.250 nan 0.000 0.472 3 R N 2.954 123.403 120.500 -0.085 0.000 2.233 3 R HA 0.305 4.650 4.340 0.009 0.000 0.334 3 R C -0.318 175.981 176.300 -0.001 0.000 1.037 3 R CA -0.475 55.633 56.100 0.012 0.000 0.920 3 R CB 0.355 30.640 30.300 -0.025 0.000 1.137 3 R HN 0.672 nan 8.270 nan 0.000 0.492 4 L N 1.547 122.766 121.223 -0.007 0.000 2.467 4 L HA 0.115 4.460 4.340 0.009 0.000 0.270 4 L C 1.167 178.015 176.870 -0.037 0.000 1.205 4 L CA -0.085 54.720 54.840 -0.059 0.000 0.828 4 L CB 0.495 42.483 42.059 -0.118 0.000 1.101 4 L HN 0.590 nan 8.230 nan 0.000 0.479 5 S N 1.374 117.035 115.700 -0.065 0.000 2.617 5 S HA 0.253 4.729 4.470 0.009 0.000 0.259 5 S C 1.111 175.680 174.600 -0.053 0.000 1.301 5 S CA -0.708 57.468 58.200 -0.040 0.000 0.984 5 S CB 0.590 63.768 63.200 -0.038 0.000 0.954 5 S HN 0.551 nan 8.310 nan 0.000 0.572 6 L N 0.394 121.610 121.223 -0.011 0.000 2.046 6 L HA -0.091 4.255 4.340 0.009 0.000 0.208 6 L C 3.466 180.378 176.870 0.069 0.000 1.077 6 L CA 1.822 56.668 54.840 0.011 0.000 0.747 6 L CB -1.316 40.783 42.059 0.067 0.000 0.896 6 L HN 0.902 nan 8.230 nan 0.000 0.432 7 R N 0.506 121.051 120.500 0.075 0.000 2.115 7 R HA -0.122 4.223 4.340 0.009 0.000 0.230 7 R C 1.900 178.232 176.300 0.052 0.000 1.111 7 R CA 1.550 57.725 56.100 0.125 0.000 0.976 7 R CB -1.150 29.180 30.300 0.051 0.000 0.870 7 R HN 0.492 nan 8.270 nan 0.000 0.445 8 E N -0.139 119.994 120.200 -0.111 0.000 2.285 8 E HA 0.087 4.443 4.350 0.009 0.000 0.194 8 E C 2.368 178.720 176.600 -0.413 0.000 0.997 8 E CA 0.648 56.841 56.400 -0.345 0.000 0.845 8 E CB 0.017 29.443 29.700 -0.458 0.000 0.782 8 E HN 0.653 nan 8.360 nan 0.000 0.491 9 A N 0.500 123.152 122.820 -0.279 0.000 1.930 9 A HA -0.167 4.159 4.320 0.009 0.000 0.217 9 A C 1.551 178.967 177.584 -0.279 0.000 1.175 9 A CA 0.994 52.827 52.037 -0.341 0.000 0.627 9 A CB -0.804 17.887 19.000 -0.515 0.000 0.815 9 A HN 0.325 nan 8.150 nan 0.000 0.443 10 W N 0.173 121.441 121.300 -0.054 0.000 2.378 10 W HA -0.013 4.649 4.660 0.003 0.000 0.313 10 W C -0.483 176.057 176.519 0.035 0.000 1.197 10 W CA 1.471 58.811 57.345 -0.008 0.000 1.304 10 W CB -1.727 27.722 29.460 -0.018 0.000 1.148 10 W HN 0.275 nan 8.180 nan 0.000 0.494 11 P HA -0.222 nan 4.420 nan 0.000 0.215 11 P C 1.200 178.743 177.300 0.404 0.000 1.153 11 P CA 1.819 65.057 63.100 0.230 0.000 0.853 11 P CB -0.389 31.386 31.700 0.126 0.000 0.788 12 Y N -1.123 119.283 120.300 0.176 0.000 2.373 12 Y HA -0.095 4.459 4.550 0.006 0.000 0.293 12 Y C 2.390 178.486 175.900 0.326 0.000 1.129 12 Y CA -0.377 57.917 58.100 0.324 0.000 1.226 12 Y CB -0.373 38.206 38.460 0.198 0.000 1.000 12 Y HN -0.070 nan 8.280 nan 0.000 0.549 13 L N 1.353 122.768 121.223 0.320 0.000 2.027 13 L HA -0.208 4.138 4.340 0.009 0.000 0.206 13 L C 1.851 178.808 176.870 0.145 0.000 1.074 13 L CA 1.959 56.903 54.840 0.173 0.000 0.745 13 L CB -0.674 41.417 42.059 0.054 0.000 0.898 13 L HN 0.200 nan 8.230 nan 0.000 0.433 14 K N -0.035 120.468 120.400 0.172 0.000 2.074 14 K HA -0.213 4.113 4.320 0.009 0.000 0.209 14 K C 1.631 178.289 176.600 0.096 0.000 1.048 14 K CA 1.849 58.212 56.287 0.126 0.000 0.926 14 K CB -0.205 32.378 32.500 0.138 0.000 0.713 14 K HN 0.427 nan 8.250 nan 0.000 0.444 15 D N 1.044 121.529 120.400 0.142 0.000 2.117 15 D HA -0.126 4.519 4.640 0.009 0.000 0.197 15 D C 1.988 178.242 176.300 -0.076 0.000 0.987 15 D CA 0.955 54.987 54.000 0.055 0.000 0.829 15 D CB -0.267 40.599 40.800 0.109 0.000 0.961 15 D HN 0.131 nan 8.370 nan 0.000 0.460 16 L N 0.456 121.629 121.223 -0.082 0.000 2.083 16 L HA -0.195 4.151 4.340 0.009 0.000 0.209 16 L C 2.504 179.327 176.870 -0.078 0.000 1.083 16 L CA 1.171 55.914 54.840 -0.161 0.000 0.752 16 L CB -0.331 41.671 42.059 -0.095 0.000 0.899 16 L HN 0.014 nan 8.230 nan 0.000 0.433 17 Q N -0.941 118.839 119.800 -0.032 0.000 2.119 17 Q HA -0.216 4.130 4.340 0.009 0.000 0.201 17 Q C 2.225 178.214 176.000 -0.019 0.000 0.972 17 Q CA 1.095 56.888 55.803 -0.016 0.000 0.847 17 Q CB -0.043 28.694 28.738 -0.001 0.000 0.903 17 Q HN 0.429 nan 8.270 nan 0.000 0.433 18 Q N 0.288 120.069 119.800 -0.031 0.000 2.204 18 Q HA -0.083 4.263 4.340 0.009 0.000 0.198 18 Q C -0.126 175.831 176.000 -0.071 0.000 0.946 18 Q CA 0.971 56.752 55.803 -0.036 0.000 0.859 18 Q CB 0.697 29.422 28.738 -0.022 0.000 0.946 18 Q HN 0.100 nan 8.270 nan 0.000 0.474 19 D N -0.545 119.789 120.400 -0.110 0.000 2.846 19 D HA 0.191 4.836 4.640 0.009 0.000 0.279 19 D C -2.163 174.003 176.300 -0.224 0.000 1.222 19 D CA -1.587 52.317 54.000 -0.160 0.000 0.769 19 D CB 1.128 41.842 40.800 -0.144 0.000 1.299 19 D HN -0.044 nan 8.370 nan 0.000 0.537 20 P HA -0.125 nan 4.420 nan 0.000 0.215 20 P C 1.932 179.052 177.300 -0.302 0.000 1.157 20 P CA 0.780 63.754 63.100 -0.211 0.000 0.874 20 P CB 0.604 32.263 31.700 -0.067 0.000 0.790 21 L N -1.060 119.891 121.223 -0.453 0.000 2.027 21 L HA -0.139 4.207 4.340 0.009 0.000 0.206 21 L C 2.612 179.309 176.870 -0.288 0.000 1.074 21 L CA 1.665 56.214 54.840 -0.486 0.000 0.745 21 L CB -1.246 40.343 42.059 -0.784 0.000 0.898 21 L HN -0.057 nan 8.230 nan 0.000 0.433 22 A N -0.373 122.286 122.820 -0.267 0.000 1.908 22 A HA -0.155 4.171 4.320 0.009 0.000 0.218 22 A C 2.295 179.729 177.584 -0.250 0.000 1.181 22 A CA 1.901 53.820 52.037 -0.197 0.000 0.627 22 A CB -0.774 18.126 19.000 -0.167 0.000 0.818 22 A HN 0.217 nan 8.150 nan 0.000 0.445 23 V N -0.114 119.585 119.914 -0.359 0.000 2.323 23 V HA -0.204 3.921 4.120 0.009 0.000 0.244 23 V C 2.552 178.172 176.094 -0.789 0.000 1.041 23 V CA 1.747 63.674 62.300 -0.622 0.000 1.025 23 V CB -0.791 30.582 31.823 -0.749 0.000 0.656 23 V HN 0.555 nan 8.190 nan 0.000 0.451 24 L N -0.648 120.257 121.223 -0.529 0.000 2.042 24 L HA -0.224 4.121 4.340 0.009 0.000 0.210 24 L C 2.481 179.204 176.870 -0.245 0.000 1.076 24 L CA 1.359 56.059 54.840 -0.232 0.000 0.749 24 L CB -0.612 41.442 42.059 -0.009 0.000 0.893 24 L HN 0.338 nan 8.230 nan 0.000 0.432 25 L N 0.078 121.185 121.223 -0.193 0.000 2.017 25 L HA -0.159 4.187 4.340 0.009 0.000 0.208 25 L C 2.654 179.432 176.870 -0.153 0.000 1.073 25 L CA 2.097 56.826 54.840 -0.185 0.000 0.745 25 L CB -0.888 41.122 42.059 -0.082 0.000 0.894 25 L HN 0.165 nan 8.230 nan 0.000 0.432 26 A N -1.277 121.476 122.820 -0.111 0.000 1.908 26 A HA -0.237 4.088 4.320 0.009 0.000 0.218 26 A C 2.026 179.705 177.584 0.159 0.000 1.181 26 A CA 1.887 53.919 52.037 -0.008 0.000 0.627 26 A CB -1.158 17.835 19.000 -0.010 0.000 0.818 26 A HN 0.641 nan 8.150 nan 0.000 0.445 27 W N -0.411 120.851 121.300 -0.063 0.000 2.354 27 W HA -0.001 4.666 4.660 0.012 0.000 0.315 27 W C 2.636 179.199 176.519 0.073 0.000 1.206 27 W CA 0.808 58.182 57.345 0.048 0.000 1.290 27 W CB -1.434 28.123 29.460 0.162 0.000 1.152 27 W HN 0.354 nan 8.180 nan 0.000 0.489 28 G N -0.157 108.688 108.800 0.075 0.000 2.422 28 G HA2 -0.226 3.739 3.960 0.009 0.000 0.218 28 G HA3 -0.226 3.739 3.960 0.009 0.000 0.218 28 G C 1.689 176.575 174.900 -0.023 0.000 1.140 28 G CA 0.708 45.756 45.100 -0.087 0.000 0.775 28 G HN 0.192 nan 8.290 nan 0.000 0.545 29 R N 0.263 120.715 120.500 -0.080 0.000 2.105 29 R HA -0.035 4.311 4.340 0.009 0.000 0.239 29 R C 2.852 179.112 176.300 -0.067 0.000 1.135 29 R CA 1.334 57.385 56.100 -0.082 0.000 0.967 29 R CB -0.193 30.054 30.300 -0.088 0.000 0.861 29 R HN 0.386 nan 8.270 nan 0.000 0.442 30 A N -0.195 122.587 122.820 -0.064 0.000 1.984 30 A HA 0.034 4.359 4.320 0.009 0.000 0.214 30 A C 0.247 177.614 177.584 -0.361 0.000 1.173 30 A CA 0.617 52.518 52.037 -0.227 0.000 0.673 30 A CB 0.277 19.122 19.000 -0.260 0.000 0.830 30 A HN 0.178 nan 8.150 nan 0.000 0.453 31 H N -1.595 117.550 119.070 0.125 0.000 2.934 31 H HA 0.240 4.801 4.556 0.009 0.000 0.340 31 H C -2.232 173.253 175.328 0.262 0.000 1.008 31 H CA -1.636 54.500 56.048 0.147 0.000 1.317 31 H CB 1.787 31.613 29.762 0.107 0.000 1.670 31 H HN 0.053 nan 8.280 nan 0.000 0.516 32 P HA -0.104 nan 4.420 nan 0.000 0.219 32 P C 0.010 177.489 177.300 0.298 0.000 1.146 32 P CA 1.106 64.419 63.100 0.356 0.000 0.808 32 P CB 0.938 32.781 31.700 0.237 0.000 0.779 33 R N -0.946 119.677 120.500 0.205 0.000 2.626 33 R HA 0.630 4.976 4.340 0.009 0.000 0.274 33 R C -1.222 175.101 176.300 0.038 0.000 1.031 33 R CA -0.827 55.307 56.100 0.057 0.000 0.898 33 R CB 1.816 32.135 30.300 0.030 0.000 1.222 33 R HN -0.132 nan 8.270 nan 0.000 0.455 34 L N 2.038 123.253 121.223 -0.013 0.000 2.472 34 L HA 0.546 4.892 4.340 0.009 0.000 0.260 34 L C -1.187 175.698 176.870 0.025 0.000 0.963 34 L CA -0.504 54.312 54.840 -0.040 0.000 0.829 34 L CB 1.623 43.617 42.059 -0.109 0.000 1.348 34 L HN 0.507 nan 8.230 nan 0.000 0.408 35 F N 2.721 122.594 119.950 -0.128 0.000 2.493 35 F HA 0.764 5.299 4.527 0.013 0.000 0.329 35 F C -1.282 174.454 175.800 -0.107 0.000 1.126 35 F CA -0.642 57.299 58.000 -0.100 0.000 0.937 35 F CB 1.421 40.366 39.000 -0.091 0.000 1.146 35 F HN 0.279 nan 8.300 nan 0.000 0.442 36 L N 8.596 129.389 121.223 -0.717 0.000 2.301 36 L HA 0.442 4.788 4.340 0.009 0.000 0.278 36 L C -2.159 174.309 176.870 -0.670 0.000 1.022 36 L CA -1.693 52.843 54.840 -0.506 0.000 0.854 36 L CB 1.170 43.030 42.059 -0.332 0.000 1.226 36 L HN 0.380 nan 8.230 nan 0.000 0.429 37 P HA 0.046 nan 4.420 nan 0.000 0.238 37 P C -0.253 176.892 177.300 -0.259 0.000 1.714 37 P CA -0.288 62.707 63.100 -0.175 0.000 0.908 37 P CB -0.290 31.463 31.700 0.089 0.000 1.893 38 L N 1.412 122.408 121.223 -0.379 0.000 2.525 38 L HA 0.071 4.417 4.340 0.009 0.000 0.278 38 L C -1.736 174.965 176.870 -0.281 0.000 1.218 38 L CA -1.268 53.281 54.840 -0.485 0.000 0.878 38 L CB -0.690 41.103 42.059 -0.444 0.000 1.127 38 L HN -0.027 nan 8.230 nan 0.000 0.492 39 P HA -0.012 nan 4.420 nan 0.000 0.260 39 P C 0.471 177.673 177.300 -0.163 0.000 1.185 39 P CA 0.250 63.304 63.100 -0.077 0.000 0.763 39 P CB 0.228 31.998 31.700 0.116 0.000 0.776 40 R N 1.407 121.775 120.500 -0.220 0.000 4.010 40 R HA -0.224 4.122 4.340 0.009 0.000 0.409 40 R C -1.066 174.746 176.300 -0.812 0.000 1.120 40 R CA 1.429 57.249 56.100 -0.465 0.000 1.244 40 R CB -2.693 27.289 30.300 -0.530 0.000 1.799 40 R HN 0.334 nan 8.270 nan 0.000 0.559 41 F N 0.410 120.322 119.950 -0.062 0.000 2.946 41 F HA 0.465 4.997 4.527 0.008 0.000 0.375 41 F C -2.406 173.305 175.800 -0.149 0.000 1.320 41 F CA -2.617 55.338 58.000 -0.074 0.000 1.181 41 F CB 1.238 40.203 39.000 -0.058 0.000 2.051 41 F HN -0.172 nan 8.300 nan 0.000 0.622 42 P HA 0.221 nan 4.420 nan 0.000 0.268 42 P C -0.491 176.654 177.300 -0.258 0.000 1.205 42 P CA 0.189 63.150 63.100 -0.232 0.000 0.771 42 P CB 1.055 32.714 31.700 -0.068 0.000 0.858 43 L N 1.678 122.621 121.223 -0.466 0.000 2.365 43 L HA 0.704 5.050 4.340 0.009 0.000 0.273 43 L C 0.062 176.714 176.870 -0.363 0.000 1.000 43 L CA -0.972 53.703 54.840 -0.275 0.000 0.819 43 L CB 2.055 44.016 42.059 -0.163 0.000 1.284 43 L HN 0.301 nan 8.230 nan 0.000 0.418 44 A N 4.167 126.919 122.820 -0.113 0.000 2.267 44 A HA 0.733 5.059 4.320 0.009 0.000 0.315 44 A C -0.936 176.617 177.584 -0.050 0.000 1.297 44 A CA -0.409 51.632 52.037 0.007 0.000 0.865 44 A CB 0.525 19.606 19.000 0.135 0.000 1.165 44 A HN 0.529 nan 8.150 nan 0.000 0.513 45 L N 3.988 125.151 121.223 -0.100 0.000 2.264 45 L HA 0.467 4.813 4.340 0.009 0.000 0.289 45 L C -0.445 176.126 176.870 -0.498 0.000 1.044 45 L CA 0.170 54.853 54.840 -0.261 0.000 0.807 45 L CB 1.170 43.133 42.059 -0.159 0.000 1.192 45 L HN 0.492 nan 8.230 nan 0.000 0.425 46 I N 3.881 124.120 120.570 -0.551 0.000 2.439 46 I HA 0.223 4.399 4.170 0.009 0.000 0.285 46 I C 0.025 175.963 176.117 -0.299 0.000 1.021 46 I CA -0.021 61.057 61.300 -0.370 0.000 1.091 46 I CB 1.222 39.137 38.000 -0.142 0.000 1.242 46 I HN 0.582 nan 8.210 nan 0.000 0.439 47 F N 2.453 122.502 119.950 0.165 0.000 2.712 47 F HA 0.063 4.595 4.527 0.007 0.000 0.297 47 F C 1.210 177.137 175.800 0.213 0.000 1.114 47 F CA -0.645 57.483 58.000 0.214 0.000 1.305 47 F CB 0.511 39.648 39.000 0.229 0.000 1.086 47 F HN 0.405 nan 8.300 nan 0.000 0.599 48 D N 1.934 122.506 120.400 0.288 0.000 2.350 48 D HA 0.045 4.691 4.640 0.009 0.000 0.249 48 D C -2.267 173.990 176.300 -0.072 0.000 1.119 48 D CA -1.509 52.548 54.000 0.095 0.000 0.886 48 D CB 1.443 42.287 40.800 0.074 0.000 1.195 48 D HN -0.013 nan 8.370 nan 0.000 0.437 49 P HA -0.204 nan 4.420 nan 0.000 0.216 49 P C 1.492 178.709 177.300 -0.138 0.000 1.154 49 P CA 2.809 65.799 63.100 -0.184 0.000 0.865 49 P CB -0.002 31.549 31.700 -0.248 0.000 0.789 50 E N -0.309 119.819 120.200 -0.122 0.000 2.051 50 E HA -0.124 4.231 4.350 0.009 0.000 0.192 50 E C 2.374 178.926 176.600 -0.081 0.000 0.991 50 E CA 1.638 57.987 56.400 -0.086 0.000 0.799 50 E CB -2.089 27.573 29.700 -0.064 0.000 0.748 50 E HN 0.328 nan 8.360 nan 0.000 0.449 51 G N 0.170 108.929 108.800 -0.069 0.000 2.418 51 G HA2 -0.125 3.841 3.960 0.009 0.000 0.217 51 G HA3 -0.125 3.841 3.960 0.009 0.000 0.217 51 G C 1.959 176.801 174.900 -0.098 0.000 1.158 51 G CA 1.265 46.327 45.100 -0.064 0.000 0.771 51 G HN 0.432 nan 8.290 nan 0.000 0.545 52 V N 1.028 120.863 119.914 -0.132 0.000 2.255 52 V HA -0.222 3.903 4.120 0.009 0.000 0.247 52 V C 2.773 178.713 176.094 -0.257 0.000 1.051 52 V CA 2.373 64.525 62.300 -0.247 0.000 1.018 52 V CB -0.512 31.056 31.823 -0.426 0.000 0.641 52 V HN 0.508 nan 8.190 nan 0.000 0.445 53 E N 0.154 120.231 120.200 -0.206 0.000 2.110 53 E HA -0.153 4.202 4.350 0.009 0.000 0.193 53 E C 2.321 178.854 176.600 -0.111 0.000 0.988 53 E CA 1.249 57.557 56.400 -0.153 0.000 0.804 53 E CB -0.504 29.134 29.700 -0.104 0.000 0.745 53 E HN 0.660 nan 8.360 nan 0.000 0.458 54 G N 1.594 110.337 108.800 -0.096 0.000 2.418 54 G HA2 -0.250 3.716 3.960 0.009 0.000 0.217 54 G HA3 -0.250 3.716 3.960 0.009 0.000 0.217 54 G C 1.743 176.597 174.900 -0.078 0.000 1.158 54 G CA 1.001 46.057 45.100 -0.073 0.000 0.771 54 G HN 0.348 nan 8.290 nan 0.000 0.545 55 A N 0.523 123.287 122.820 -0.093 0.000 1.858 55 A HA 0.131 4.457 4.320 0.009 0.000 0.216 55 A C 2.404 179.930 177.584 -0.096 0.000 1.190 55 A CA 1.268 53.252 52.037 -0.089 0.000 0.617 55 A CB -0.421 18.524 19.000 -0.092 0.000 0.827 55 A HN 0.339 nan 8.150 nan 0.000 0.443 56 L N -0.907 120.246 121.223 -0.116 0.000 2.313 56 L HA 0.031 4.377 4.340 0.009 0.000 0.214 56 L C 2.030 178.850 176.870 -0.082 0.000 1.119 56 L CA 0.422 55.201 54.840 -0.103 0.000 0.809 56 L CB -0.198 41.790 42.059 -0.119 0.000 0.933 56 L HN 0.326 nan 8.230 nan 0.000 0.449 57 L N -0.409 120.769 121.223 -0.075 0.000 2.529 57 L HA 0.208 4.554 4.340 0.009 0.000 0.223 57 L C 1.272 178.114 176.870 -0.048 0.000 1.113 57 L CA -0.482 54.327 54.840 -0.051 0.000 0.861 57 L CB -0.108 41.926 42.059 -0.042 0.000 1.012 57 L HN 0.088 nan 8.230 nan 0.000 0.461 58 A N 1.011 123.795 122.820 -0.060 0.000 2.488 58 A HA 0.154 4.480 4.320 0.009 0.000 0.249 58 A C 0.260 177.809 177.584 -0.059 0.000 1.083 58 A CA -0.137 51.867 52.037 -0.055 0.000 0.768 58 A CB 0.017 18.980 19.000 -0.061 0.000 1.017 58 A HN 0.273 nan 8.150 nan 0.000 0.496 59 E N 0.741 120.915 120.200 -0.042 0.000 2.349 59 E HA 0.445 4.801 4.350 0.009 0.000 0.262 59 E C 0.922 177.492 176.600 -0.050 0.000 1.088 59 E CA 0.353 56.731 56.400 -0.038 0.000 0.899 59 E CB 0.649 30.342 29.700 -0.012 0.000 1.044 59 E HN 1.317 nan 8.360 nan 0.000 0.420 60 G N 1.547 110.315 108.800 -0.053 0.000 2.141 60 G HA2 -0.277 3.688 3.960 0.009 0.000 0.242 60 G HA3 -0.277 3.688 3.960 0.009 0.000 0.242 60 G C 0.399 175.225 174.900 -0.123 0.000 0.982 60 G CA 0.481 45.546 45.100 -0.059 0.000 0.662 60 G HN 0.653 nan 8.290 nan 0.000 0.527 61 T N -1.576 112.877 114.554 -0.169 0.000 2.862 61 T HA 0.822 5.177 4.350 0.009 0.000 0.276 61 T C 0.431 174.867 174.700 -0.439 0.000 0.974 61 T CA 0.716 62.666 62.100 -0.251 0.000 0.966 61 T CB 2.288 71.033 68.868 -0.204 0.000 1.072 61 T HN 1.517 nan 8.240 nan 0.000 0.538 62 T N -1.975 112.223 114.554 -0.593 0.000 2.778 62 T HA 0.517 4.873 4.350 0.009 0.000 0.293 62 T C -0.368 173.860 174.700 -0.786 0.000 1.144 62 T CA -1.151 60.280 62.100 -1.116 0.000 1.010 62 T CB 1.512 69.302 68.868 -1.796 0.000 1.325 62 T HN 0.575 nan 8.240 nan 0.000 0.515 63 K N 0.531 120.392 120.400 -0.899 0.000 2.814 63 K HA 0.481 4.806 4.320 0.009 0.000 0.213 63 K C 0.237 176.748 176.600 -0.148 0.000 1.113 63 K CA -0.389 55.705 56.287 -0.321 0.000 1.145 63 K CB 0.446 32.788 32.500 -0.263 0.000 0.948 63 K HN 0.664 nan 8.250 nan 0.000 0.464 64 A N 1.927 124.525 122.820 -0.370 0.000 3.126 64 A HA 0.119 4.444 4.320 0.009 0.000 0.268 64 A C 0.323 177.865 177.584 -0.070 0.000 1.605 64 A CA -0.256 51.726 52.037 -0.091 0.000 1.305 64 A CB -0.531 18.413 19.000 -0.094 0.000 1.160 64 A HN 0.269 nan 8.150 nan 0.000 0.609 65 T N -3.278 111.241 114.554 -0.060 0.000 2.907 65 T HA 0.517 4.873 4.350 0.009 0.000 0.290 65 T C 0.847 175.429 174.700 -0.197 0.000 1.066 65 T CA -0.216 61.789 62.100 -0.157 0.000 1.012 65 T CB 0.656 69.346 68.868 -0.297 0.000 1.184 65 T HN 0.695 nan 8.240 nan 0.000 0.522 66 F N -0.004 119.827 119.950 -0.198 0.000 2.202 66 F HA -0.064 4.469 4.527 0.010 0.000 0.301 66 F C 2.491 178.193 175.800 -0.164 0.000 1.082 66 F CA 1.341 59.221 58.000 -0.199 0.000 1.313 66 F CB -0.695 38.173 39.000 -0.220 0.000 1.024 66 F HN 0.711 nan 8.300 nan 0.000 0.495 67 Q N -0.073 119.126 119.800 -1.001 0.000 2.020 67 Q HA -0.167 4.179 4.340 0.009 0.000 0.198 67 Q C 2.119 177.813 176.000 -0.510 0.000 0.974 67 Q CA 1.785 57.074 55.803 -0.855 0.000 0.829 67 Q CB -0.630 27.352 28.738 -1.260 0.000 0.894 67 Q HN 0.633 nan 8.270 nan 0.000 0.433 68 Y N 0.025 120.161 120.300 -0.274 0.000 2.337 68 Y HA 0.015 4.572 4.550 0.012 0.000 0.293 68 Y C 2.518 178.393 175.900 -0.041 0.000 1.123 68 Y CA 0.564 58.590 58.100 -0.123 0.000 1.201 68 Y CB 0.203 38.605 38.460 -0.096 0.000 1.011 68 Y HN 0.080 nan 8.280 nan 0.000 0.545 69 R N 0.144 120.701 120.500 0.095 0.000 2.091 69 R HA -0.184 4.162 4.340 0.009 0.000 0.238 69 R C 2.530 178.862 176.300 0.053 0.000 1.136 69 R CA 1.236 57.383 56.100 0.079 0.000 0.959 69 R CB -0.543 29.786 30.300 0.048 0.000 0.856 69 R HN 0.307 nan 8.270 nan 0.000 0.437 70 A N 1.108 123.935 122.820 0.013 0.000 1.902 70 A HA -0.160 4.165 4.320 0.009 0.000 0.217 70 A C 2.072 179.678 177.584 0.036 0.000 1.181 70 A CA 1.092 53.132 52.037 0.006 0.000 0.623 70 A CB -0.483 18.509 19.000 -0.013 0.000 0.818 70 A HN 0.236 nan 8.150 nan 0.000 0.443 71 L N 0.050 121.301 121.223 0.047 0.000 2.083 71 L HA -0.090 4.256 4.340 0.009 0.000 0.209 71 L C 2.366 179.319 176.870 0.139 0.000 1.083 71 L CA 2.361 57.259 54.840 0.097 0.000 0.752 71 L CB -0.526 41.607 42.059 0.123 0.000 0.899 71 L HN 0.275 nan 8.230 nan 0.000 0.433 72 S N -0.815 114.966 115.700 0.134 0.000 2.474 72 S HA -0.085 4.391 4.470 0.009 0.000 0.235 72 S C 1.904 176.585 174.600 0.136 0.000 0.997 72 S CA 0.563 58.840 58.200 0.129 0.000 0.949 72 S CB -0.327 62.940 63.200 0.111 0.000 0.766 72 S HN 0.451 nan 8.310 nan 0.000 0.517 73 R N 0.369 120.957 120.500 0.147 0.000 2.189 73 R HA 0.090 4.436 4.340 0.009 0.000 0.223 73 R C 2.030 178.540 176.300 0.350 0.000 1.092 73 R CA 0.729 56.953 56.100 0.208 0.000 0.989 73 R CB -0.130 30.261 30.300 0.151 0.000 0.876 73 R HN 0.384 nan 8.270 nan 0.000 0.457 74 L N -0.406 121.012 121.223 0.324 0.000 2.349 74 L HA 0.003 4.349 4.340 0.009 0.000 0.200 74 L C 1.951 179.010 176.870 0.316 0.000 1.064 74 L CA 1.139 56.186 54.840 0.344 0.000 0.821 74 L CB 0.089 42.339 42.059 0.319 0.000 1.027 74 L HN 0.190 nan 8.230 nan 0.000 0.476 75 T N -3.021 111.677 114.554 0.240 0.000 3.065 75 T HA 0.293 4.649 4.350 0.009 0.000 0.252 75 T C 1.172 175.999 174.700 0.212 0.000 1.099 75 T CA 0.427 62.663 62.100 0.227 0.000 1.063 75 T CB 0.041 69.000 68.868 0.151 0.000 0.948 75 T HN 0.534 nan 8.240 nan 0.000 0.506 76 G N 2.146 111.041 108.800 0.158 0.000 2.598 76 G HA2 -0.326 3.640 3.960 0.009 0.000 0.269 76 G HA3 -0.326 3.640 3.960 0.009 0.000 0.269 76 G C -0.287 174.657 174.900 0.074 0.000 1.289 76 G CA -0.157 44.998 45.100 0.091 0.000 0.926 76 G HN 0.797 nan 8.290 nan 0.000 0.567 77 R N 1.104 121.625 120.500 0.036 0.000 2.248 77 R HA 0.523 4.869 4.340 0.009 0.000 0.337 77 R C 0.704 177.025 176.300 0.035 0.000 1.085 77 R CA 0.678 56.783 56.100 0.007 0.000 0.934 77 R CB -0.442 29.832 30.300 -0.044 0.000 1.034 77 R HN 1.197 nan 8.270 nan 0.000 0.465 78 G N 2.207 111.038 108.800 0.052 0.000 2.975 78 G HA2 0.212 4.178 3.960 0.009 0.000 0.291 78 G HA3 0.212 4.178 3.960 0.009 0.000 0.291 78 G C 0.387 175.342 174.900 0.092 0.000 1.334 78 G CA -0.744 44.398 45.100 0.070 0.000 0.843 78 G HN 0.515 nan 8.290 nan 0.000 0.548 79 L N -0.327 120.957 121.223 0.103 0.000 2.131 79 L HA 0.038 4.383 4.340 0.009 0.000 0.210 79 L C 2.779 179.722 176.870 0.122 0.000 1.092 79 L CA 0.776 55.724 54.840 0.180 0.000 0.759 79 L CB -0.170 41.968 42.059 0.132 0.000 0.903 79 L HN 0.357 nan 8.230 nan 0.000 0.435 80 L N -0.777 120.472 121.223 0.044 0.000 2.131 80 L HA -0.130 4.215 4.340 0.009 0.000 0.206 80 L C 2.433 179.176 176.870 -0.213 0.000 1.087 80 L CA 1.702 56.518 54.840 -0.041 0.000 0.767 80 L CB -0.233 41.858 42.059 0.053 0.000 0.917 80 L HN 0.427 nan 8.230 nan 0.000 0.441 81 T N -5.485 109.019 114.554 -0.083 0.000 3.022 81 T HA 0.059 4.415 4.350 0.009 0.000 0.250 81 T C 0.574 175.279 174.700 0.008 0.000 1.060 81 T CA -0.408 61.643 62.100 -0.081 0.000 1.013 81 T CB 0.163 69.072 68.868 0.067 0.000 0.982 81 T HN -0.000 nan 8.240 nan 0.000 0.508 82 D N 1.066 121.468 120.400 0.003 0.000 2.411 82 D HA 0.527 5.173 4.640 0.009 0.000 0.251 82 D C -0.371 175.995 176.300 0.111 0.000 1.201 82 D CA -0.562 53.425 54.000 -0.020 0.000 0.996 82 D CB 0.962 41.790 40.800 0.047 0.000 1.101 82 D HN 0.548 nan 8.370 nan 0.000 0.504 83 W N -0.772 120.518 121.300 -0.018 0.000 2.826 83 W HA 0.554 5.219 4.660 0.008 0.000 0.410 83 W C 0.096 176.684 176.519 0.115 0.000 1.128 83 W CA -0.330 56.974 57.345 -0.068 0.000 1.176 83 W CB -0.154 29.190 29.460 -0.193 0.000 1.475 83 W HN 0.802 nan 8.180 nan 0.000 0.588 84 G N 0.664 109.725 108.800 0.436 0.000 2.575 84 G HA2 -0.378 3.588 3.960 0.009 0.000 0.267 84 G HA3 -0.378 3.588 3.960 0.009 0.000 0.267 84 G C 0.525 175.594 174.900 0.282 0.000 1.264 84 G CA 1.015 46.303 45.100 0.314 0.000 0.935 84 G HN 1.090 nan 8.290 nan 0.000 0.568 85 E N 0.136 120.426 120.200 0.149 0.000 2.106 85 E HA -0.044 4.312 4.350 0.009 0.000 0.192 85 E C 2.896 179.526 176.600 0.050 0.000 0.984 85 E CA 2.332 58.789 56.400 0.095 0.000 0.806 85 E CB -0.357 29.373 29.700 0.050 0.000 0.750 85 E HN 0.801 nan 8.360 nan 0.000 0.458 86 S N -0.774 114.945 115.700 0.032 0.000 2.383 86 S HA -0.149 4.327 4.470 0.009 0.000 0.227 86 S C 1.935 176.547 174.600 0.020 0.000 1.026 86 S CA 0.752 58.950 58.200 -0.003 0.000 0.981 86 S CB -0.916 62.260 63.200 -0.040 0.000 0.818 86 S HN 0.562 nan 8.310 nan 0.000 0.472 87 W N 3.311 124.574 121.300 -0.062 0.000 2.353 87 W HA -0.057 4.609 4.660 0.010 0.000 0.319 87 W C 1.967 178.479 176.519 -0.013 0.000 1.207 87 W CA 1.622 58.947 57.345 -0.034 0.000 1.291 87 W CB -0.403 29.056 29.460 -0.002 0.000 1.159 87 W HN 0.144 nan 8.180 nan 0.000 0.478 88 K N -0.112 120.088 120.400 -0.334 0.000 2.089 88 K HA -0.256 4.070 4.320 0.009 0.000 0.210 88 K C 2.216 178.547 176.600 -0.449 0.000 1.048 88 K CA 2.460 58.379 56.287 -0.614 0.000 0.926 88 K CB -0.845 31.553 32.500 -0.171 0.000 0.714 88 K HN 0.463 nan 8.250 nan 0.000 0.448 89 E N 1.266 121.318 120.200 -0.246 0.000 2.076 89 E HA 0.006 4.362 4.350 0.009 0.000 0.190 89 E C 2.054 178.548 176.600 -0.177 0.000 0.979 89 E CA 1.047 57.349 56.400 -0.164 0.000 0.807 89 E CB -0.612 29.036 29.700 -0.086 0.000 0.761 89 E HN 0.424 nan 8.360 nan 0.000 0.454 90 A N 0.799 123.502 122.820 -0.195 0.000 1.877 90 A HA -0.132 4.193 4.320 0.009 0.000 0.216 90 A C 2.358 179.820 177.584 -0.203 0.000 1.186 90 A CA 2.121 54.068 52.037 -0.149 0.000 0.620 90 A CB -0.422 18.520 19.000 -0.096 0.000 0.822 90 A HN 0.435 nan 8.150 nan 0.000 0.443 91 R N -0.284 119.977 120.500 -0.399 0.000 2.096 91 R HA -0.130 4.216 4.340 0.009 0.000 0.235 91 R C 2.352 178.513 176.300 -0.232 0.000 1.127 91 R CA 2.133 58.011 56.100 -0.370 0.000 0.968 91 R CB -0.411 29.482 30.300 -0.679 0.000 0.861 91 R HN 0.435 nan 8.270 nan 0.000 0.440 92 K N 0.169 120.425 120.400 -0.240 0.000 2.097 92 K HA 0.060 4.386 4.320 0.009 0.000 0.205 92 K C 2.042 178.599 176.600 -0.071 0.000 1.050 92 K CA 1.393 57.596 56.287 -0.141 0.000 0.938 92 K CB -0.947 31.472 32.500 -0.135 0.000 0.718 92 K HN 0.475 nan 8.250 nan 0.000 0.442 93 A N -0.039 122.743 122.820 -0.064 0.000 2.119 93 A HA 0.297 4.622 4.320 0.009 0.000 0.216 93 A C 2.065 179.650 177.584 0.001 0.000 1.152 93 A CA 1.074 53.105 52.037 -0.009 0.000 0.708 93 A CB -0.025 18.975 19.000 -0.000 0.000 0.805 93 A HN 0.389 nan 8.150 nan 0.000 0.460 94 L N -1.063 120.153 121.223 -0.011 0.000 2.731 94 L HA 0.080 4.425 4.340 0.009 0.000 0.240 94 L C 2.018 178.956 176.870 0.113 0.000 1.120 94 L CA 0.571 55.429 54.840 0.030 0.000 0.913 94 L CB 0.092 42.159 42.059 0.014 0.000 1.213 94 L HN 0.472 nan 8.230 nan 0.000 0.515 95 K N -1.016 119.433 120.400 0.081 0.000 2.366 95 K HA -0.035 4.291 4.320 0.009 0.000 0.198 95 K C 0.854 177.578 176.600 0.207 0.000 1.044 95 K CA 0.759 57.136 56.287 0.151 0.000 0.973 95 K CB 0.023 32.552 32.500 0.049 0.000 0.767 95 K HN -0.010 nan 8.250 nan 0.000 0.475 96 D N 2.167 122.634 120.400 0.111 0.000 2.104 96 D HA -0.088 4.558 4.640 0.009 0.000 0.194 96 D C -0.906 175.414 176.300 0.034 0.000 0.994 96 D CA 0.914 54.949 54.000 0.059 0.000 0.830 96 D CB -1.238 39.578 40.800 0.026 0.000 0.959 96 D HN 0.213 nan 8.370 nan 0.000 0.452 97 P HA -0.081 nan 4.420 nan 0.000 0.226 97 P C 0.569 177.676 177.300 -0.321 0.000 1.146 97 P CA 0.890 63.868 63.100 -0.204 0.000 0.773 97 P CB -0.109 31.333 31.700 -0.430 0.000 0.772 98 F N -2.316 117.695 119.950 0.102 0.000 2.678 98 F HA 0.206 4.739 4.527 0.010 0.000 0.305 98 F C 1.153 177.006 175.800 0.088 0.000 1.090 98 F CA -0.405 57.675 58.000 0.133 0.000 1.272 98 F CB -0.247 38.793 39.000 0.066 0.000 1.060 98 F HN -0.247 nan 8.300 nan 0.000 0.576 99 L N 1.311 122.628 121.223 0.156 0.000 2.464 99 L HA 0.105 4.451 4.340 0.009 0.000 0.264 99 L C -1.080 175.808 176.870 0.030 0.000 1.199 99 L CA -1.591 53.299 54.840 0.083 0.000 0.818 99 L CB 0.251 42.334 42.059 0.039 0.000 1.102 99 L HN -0.161 nan 8.230 nan 0.000 0.473 100 P HA -0.209 nan 4.420 nan 0.000 0.215 100 P C 1.321 178.586 177.300 -0.058 0.000 1.157 100 P CA 1.290 64.385 63.100 -0.007 0.000 0.874 100 P CB 0.124 31.824 31.700 0.001 0.000 0.790 101 K N -0.688 119.674 120.400 -0.063 0.000 2.097 101 K HA -0.147 4.179 4.320 0.009 0.000 0.206 101 K C 1.800 178.294 176.600 -0.176 0.000 1.049 101 K CA 1.382 57.612 56.287 -0.095 0.000 0.933 101 K CB -0.338 32.122 32.500 -0.066 0.000 0.717 101 K HN 0.035 nan 8.250 nan 0.000 0.442 102 N N 0.414 118.991 118.700 -0.204 0.000 2.171 102 N HA -0.114 4.632 4.740 0.009 0.000 0.184 102 N C 1.890 176.931 175.510 -0.782 0.000 1.021 102 N CA 1.156 53.977 53.050 -0.381 0.000 0.854 102 N CB -0.110 38.240 38.487 -0.229 0.000 0.994 102 N HN 0.013 nan 8.380 nan 0.000 0.426 103 V N 2.190 121.825 119.914 -0.466 0.000 2.343 103 V HA -0.203 3.923 4.120 0.009 0.000 0.247 103 V C 2.399 178.274 176.094 -0.366 0.000 1.051 103 V CA 1.461 63.533 62.300 -0.380 0.000 1.036 103 V CB -0.448 31.383 31.823 0.013 0.000 0.654 103 V HN 0.264 nan 8.190 nan 0.000 0.451 104 R N 0.208 120.560 120.500 -0.246 0.000 2.117 104 R HA -0.153 4.193 4.340 0.009 0.000 0.243 104 R C 2.396 178.573 176.300 -0.204 0.000 1.143 104 R CA 1.545 57.542 56.100 -0.172 0.000 0.968 104 R CB -0.870 29.360 30.300 -0.116 0.000 0.863 104 R HN 0.600 nan 8.270 nan 0.000 0.444 105 G N -0.353 108.260 108.800 -0.312 0.000 2.498 105 G HA2 -0.221 3.744 3.960 0.009 0.000 0.219 105 G HA3 -0.221 3.744 3.960 0.009 0.000 0.219 105 G C 0.929 175.730 174.900 -0.164 0.000 1.119 105 G CA 0.367 45.318 45.100 -0.248 0.000 0.766 105 G HN 0.432 nan 8.290 nan 0.000 0.552 106 Y N -0.392 119.859 120.300 -0.081 0.000 2.544 106 Y HA 0.122 4.678 4.550 0.010 0.000 0.286 106 Y C 2.779 178.608 175.900 -0.118 0.000 1.141 106 Y CA 0.255 58.291 58.100 -0.107 0.000 1.299 106 Y CB 0.034 38.393 38.460 -0.168 0.000 1.030 106 Y HN 0.103 nan 8.280 nan 0.000 0.543 107 R N 1.660 122.159 120.500 -0.003 0.000 2.083 107 R HA -0.250 4.095 4.340 0.009 0.000 0.237 107 R C 2.046 178.337 176.300 -0.015 0.000 1.137 107 R CA 2.161 58.244 56.100 -0.028 0.000 0.951 107 R CB -0.243 30.032 30.300 -0.042 0.000 0.851 107 R HN 0.425 nan 8.270 nan 0.000 0.434 108 E N -0.214 119.982 120.200 -0.006 0.000 2.077 108 E HA -0.173 4.183 4.350 0.009 0.000 0.193 108 E C 1.781 178.383 176.600 0.003 0.000 0.989 108 E CA 1.356 57.755 56.400 -0.002 0.000 0.800 108 E CB -0.146 29.554 29.700 -0.001 0.000 0.746 108 E HN 0.502 nan 8.360 nan 0.000 0.452 109 A N 0.424 123.252 122.820 0.013 0.000 1.969 109 A HA -0.115 4.211 4.320 0.009 0.000 0.218 109 A C 2.161 179.739 177.584 -0.009 0.000 1.169 109 A CA 1.350 53.393 52.037 0.010 0.000 0.635 109 A CB -0.396 18.620 19.000 0.027 0.000 0.810 109 A HN 0.314 nan 8.150 nan 0.000 0.445 110 M N -1.009 118.577 119.600 -0.023 0.000 2.156 110 M HA -0.124 4.362 4.480 0.009 0.000 0.264 110 M C 2.006 178.285 176.300 -0.036 0.000 1.067 110 M CA 1.450 56.718 55.300 -0.053 0.000 1.131 110 M CB -0.336 32.207 32.600 -0.095 0.000 1.368 110 M HN 0.466 nan 8.290 nan 0.000 0.416 111 E N 0.005 120.194 120.200 -0.019 0.000 2.110 111 E HA -0.237 4.118 4.350 0.009 0.000 0.193 111 E C 1.863 178.469 176.600 0.010 0.000 0.988 111 E CA 1.176 57.577 56.400 0.001 0.000 0.804 111 E CB 0.002 29.704 29.700 0.004 0.000 0.745 111 E HN 0.330 nan 8.360 nan 0.000 0.458 112 E N 1.354 121.556 120.200 0.003 0.000 2.046 112 E HA -0.213 4.142 4.350 0.009 0.000 0.190 112 E C 1.825 178.428 176.600 0.004 0.000 0.982 112 E CA 1.402 57.806 56.400 0.007 0.000 0.800 112 E CB -0.080 29.623 29.700 0.006 0.000 0.756 112 E HN 0.089 nan 8.360 nan 0.000 0.449 113 E N 0.133 120.326 120.200 -0.011 0.000 2.070 113 E HA -0.173 4.183 4.350 0.009 0.000 0.197 113 E C 1.889 178.461 176.600 -0.047 0.000 1.004 113 E CA 1.853 58.238 56.400 -0.026 0.000 0.805 113 E CB -0.605 29.065 29.700 -0.050 0.000 0.744 113 E HN 0.328 nan 8.360 nan 0.000 0.451 114 A N 0.804 123.590 122.820 -0.058 0.000 1.902 114 A HA -0.209 4.117 4.320 0.009 0.000 0.217 114 A C 2.267 179.879 177.584 0.046 0.000 1.181 114 A CA 1.739 53.736 52.037 -0.067 0.000 0.623 114 A CB -0.615 18.415 19.000 0.051 0.000 0.818 114 A HN 0.238 nan 8.150 nan 0.000 0.443 115 R N -0.358 120.188 120.500 0.077 0.000 2.070 115 R HA -0.112 4.233 4.340 0.009 0.000 0.233 115 R C 2.367 178.699 176.300 0.053 0.000 1.137 115 R CA 1.514 57.670 56.100 0.092 0.000 0.945 115 R CB -0.473 29.858 30.300 0.051 0.000 0.845 115 R HN 0.431 nan 8.270 nan 0.000 0.430 116 A N 0.658 123.494 122.820 0.026 0.000 1.883 116 A HA -0.221 4.105 4.320 0.009 0.000 0.217 116 A C 2.038 179.618 177.584 -0.007 0.000 1.186 116 A CA 1.487 53.533 52.037 0.015 0.000 0.624 116 A CB -0.901 18.111 19.000 0.019 0.000 0.822 116 A HN 0.521 nan 8.150 nan 0.000 0.444 117 F N -0.364 119.443 119.950 -0.239 0.000 2.069 117 F HA -0.198 4.334 4.527 0.009 0.000 0.298 117 F C 1.900 177.360 175.800 -0.567 0.000 1.113 117 F CA 2.118 59.870 58.000 -0.414 0.000 1.214 117 F CB -0.361 38.252 39.000 -0.644 0.000 0.978 117 F HN 0.228 nan 8.300 nan 0.000 0.474 118 F N -0.246 119.585 119.950 -0.198 0.000 2.661 118 F HA 0.102 4.634 4.527 0.009 0.000 0.298 118 F C 2.470 178.182 175.800 -0.148 0.000 1.137 118 F CA 0.476 58.198 58.000 -0.463 0.000 1.454 118 F CB -0.877 38.014 39.000 -0.181 0.000 1.103 118 F HN 0.054 nan 8.300 nan 0.000 0.577 119 G N -0.352 108.480 108.800 0.053 0.000 2.471 119 G HA2 -0.153 3.813 3.960 0.009 0.000 0.219 119 G HA3 -0.153 3.813 3.960 0.009 0.000 0.219 119 G C 1.567 176.525 174.900 0.096 0.000 1.125 119 G CA 0.456 45.590 45.100 0.056 0.000 0.775 119 G HN 0.169 nan 8.290 nan 0.000 0.548 120 E N -0.458 119.802 120.200 0.100 0.000 2.299 120 E HA 0.015 4.371 4.350 0.009 0.000 0.193 120 E C 0.308 177.106 176.600 0.331 0.000 0.998 120 E CA -0.079 56.414 56.400 0.156 0.000 0.851 120 E CB 0.051 29.806 29.700 0.093 0.000 0.795 120 E HN 0.408 nan 8.360 nan 0.000 0.492 121 W N 0.745 122.104 121.300 0.100 0.000 2.184 121 W HA 0.384 5.050 4.660 0.009 0.000 0.338 121 W C 1.506 178.177 176.519 0.253 0.000 1.257 121 W CA -0.265 57.172 57.345 0.154 0.000 1.243 121 W CB 0.234 29.828 29.460 0.223 0.000 1.122 121 W HN -0.140 nan 8.180 nan 0.000 0.585 122 R N 0.303 121.005 120.500 0.336 0.000 2.544 122 R HA 0.494 4.840 4.340 0.009 0.000 0.426 122 R C 0.919 177.319 176.300 0.166 0.000 0.943 122 R CA 0.639 56.882 56.100 0.239 0.000 1.162 122 R CB 0.009 30.382 30.300 0.121 0.000 1.588 122 R HN 1.304 nan 8.270 nan 0.000 0.563 123 G N 0.535 109.394 108.800 0.099 0.000 2.213 123 G HA2 -0.247 3.719 3.960 0.009 0.000 0.226 123 G HA3 -0.247 3.719 3.960 0.009 0.000 0.226 123 G C 0.308 175.139 174.900 -0.115 0.000 0.992 123 G CA 0.193 45.283 45.100 -0.017 0.000 0.632 123 G HN 0.978 nan 8.290 nan 0.000 0.511 124 E N 1.789 121.899 120.200 -0.149 0.000 2.425 124 E HA 0.243 4.598 4.350 0.009 0.000 0.258 124 E C 0.198 176.633 176.600 -0.275 0.000 1.151 124 E CA -0.058 56.226 56.400 -0.192 0.000 0.958 124 E CB 0.670 30.249 29.700 -0.202 0.000 0.968 124 E HN 0.533 nan 8.360 nan 0.000 0.451 125 E N 0.853 120.912 120.200 -0.234 0.000 2.384 125 E HA 0.039 4.395 4.350 0.009 0.000 0.266 125 E C -0.576 175.817 176.600 -0.346 0.000 1.012 125 E CA -0.217 56.034 56.400 -0.248 0.000 0.901 125 E CB 0.541 30.136 29.700 -0.175 0.000 0.967 125 E HN 0.248 nan 8.360 nan 0.000 0.435 126 R N 3.166 123.440 120.500 -0.377 0.000 2.621 126 R HA 0.165 4.511 4.340 0.009 0.000 0.284 126 R C -1.289 174.866 176.300 -0.242 0.000 0.998 126 R CA -0.879 54.958 56.100 -0.439 0.000 0.895 126 R CB 1.485 31.283 30.300 -0.837 0.000 1.195 126 R HN 0.595 nan 8.270 nan 0.000 0.450 127 D N 3.796 124.108 120.400 -0.148 0.000 2.374 127 D HA 0.085 4.731 4.640 0.009 0.000 0.240 127 D C 1.154 177.451 176.300 -0.005 0.000 1.229 127 D CA -0.104 53.851 54.000 -0.075 0.000 0.895 127 D CB 0.657 41.430 40.800 -0.045 0.000 1.046 127 D HN 0.465 nan 8.370 nan 0.000 0.498 128 L N 2.708 123.902 121.223 -0.048 0.000 2.127 128 L HA -0.164 4.182 4.340 0.009 0.000 0.211 128 L C 1.794 178.687 176.870 0.039 0.000 1.089 128 L CA 1.138 55.977 54.840 -0.001 0.000 0.757 128 L CB -0.259 41.726 42.059 -0.123 0.000 0.899 128 L HN 0.433 nan 8.230 nan 0.000 0.434 129 D N -0.528 119.852 120.400 -0.034 0.000 2.084 129 D HA -0.280 4.365 4.640 0.009 0.000 0.194 129 D C 2.137 178.449 176.300 0.019 0.000 0.990 129 D CA 1.566 55.527 54.000 -0.065 0.000 0.826 129 D CB 0.072 40.794 40.800 -0.131 0.000 0.971 129 D HN 0.320 nan 8.370 nan 0.000 0.453 130 H N -0.142 118.916 119.070 -0.020 0.000 2.357 130 H HA 0.003 4.564 4.556 0.008 0.000 0.301 130 H C 1.782 177.168 175.328 0.097 0.000 1.082 130 H CA 1.612 57.671 56.048 0.018 0.000 1.342 130 H CB 0.135 29.895 29.762 -0.002 0.000 1.389 130 H HN 0.076 nan 8.280 nan 0.000 0.511 131 E N -0.244 120.052 120.200 0.160 0.000 2.150 131 E HA -0.116 4.240 4.350 0.009 0.000 0.193 131 E C 1.962 178.677 176.600 0.193 0.000 0.985 131 E CA 0.649 57.234 56.400 0.309 0.000 0.814 131 E CB -0.043 30.028 29.700 0.618 0.000 0.752 131 E HN 0.531 nan 8.360 nan 0.000 0.466 132 M N 0.071 119.741 119.600 0.117 0.000 2.349 132 M HA 0.016 4.502 4.480 0.009 0.000 0.266 132 M C 2.295 178.589 176.300 -0.010 0.000 1.076 132 M CA 0.585 55.912 55.300 0.045 0.000 1.126 132 M CB -0.704 31.955 32.600 0.098 0.000 1.392 132 M HN 0.071 nan 8.290 nan 0.000 0.440 133 L N -0.346 120.857 121.223 -0.033 0.000 2.046 133 L HA -0.181 4.164 4.340 0.009 0.000 0.208 133 L C 2.653 179.580 176.870 0.096 0.000 1.077 133 L CA 1.300 56.142 54.840 0.002 0.000 0.747 133 L CB -0.863 41.135 42.059 -0.101 0.000 0.896 133 L HN 0.257 nan 8.230 nan 0.000 0.432 134 A N -0.233 122.569 122.820 -0.030 0.000 1.873 134 A HA -0.210 4.116 4.320 0.009 0.000 0.215 134 A C 2.173 179.683 177.584 -0.124 0.000 1.186 134 A CA 1.567 53.597 52.037 -0.011 0.000 0.616 134 A CB -0.659 18.407 19.000 0.111 0.000 0.823 134 A HN 0.309 nan 8.150 nan 0.000 0.442 135 L N -0.131 120.874 121.223 -0.362 0.000 2.056 135 L HA -0.063 4.283 4.340 0.009 0.000 0.207 135 L C 2.587 179.286 176.870 -0.286 0.000 1.078 135 L CA 2.461 56.886 54.840 -0.691 0.000 0.749 135 L CB -0.859 40.534 42.059 -1.110 0.000 0.901 135 L HN 0.368 nan 8.230 nan 0.000 0.433 136 S N -0.943 114.695 115.700 -0.103 0.000 2.370 136 S HA -0.199 4.276 4.470 0.009 0.000 0.226 136 S C 2.078 176.697 174.600 0.032 0.000 1.033 136 S CA 1.644 59.870 58.200 0.044 0.000 1.011 136 S CB -0.410 62.902 63.200 0.186 0.000 0.852 136 S HN 0.508 nan 8.310 nan 0.000 0.457 137 L N 0.569 121.757 121.223 -0.058 0.000 2.156 137 L HA 0.009 4.354 4.340 0.009 0.000 0.208 137 L C 2.753 179.539 176.870 -0.140 0.000 1.095 137 L CA 1.082 55.779 54.840 -0.238 0.000 0.770 137 L CB -0.353 41.460 42.059 -0.410 0.000 0.914 137 L HN 0.368 nan 8.230 nan 0.000 0.439 138 R N -0.374 120.057 120.500 -0.114 0.000 2.073 138 R HA -0.157 4.188 4.340 0.009 0.000 0.234 138 R C 2.216 178.481 176.300 -0.059 0.000 1.134 138 R CA 1.189 57.237 56.100 -0.085 0.000 0.952 138 R CB -0.284 29.956 30.300 -0.100 0.000 0.850 138 R HN 0.330 nan 8.270 nan 0.000 0.433 139 L N 0.320 121.504 121.223 -0.064 0.000 2.056 139 L HA -0.172 4.173 4.340 0.009 0.000 0.207 139 L C 2.424 179.334 176.870 0.067 0.000 1.078 139 L CA 0.657 55.483 54.840 -0.024 0.000 0.749 139 L CB -0.438 41.597 42.059 -0.041 0.000 0.901 139 L HN 0.168 nan 8.230 nan 0.000 0.433 140 L N 0.202 121.490 121.223 0.107 0.000 2.046 140 L HA -0.094 4.252 4.340 0.009 0.000 0.208 140 L C 2.304 179.245 176.870 0.119 0.000 1.077 140 L CA 2.135 57.074 54.840 0.163 0.000 0.747 140 L CB -0.860 41.262 42.059 0.104 0.000 0.896 140 L HN 0.145 nan 8.230 nan 0.000 0.432 141 G N -1.384 107.461 108.800 0.074 0.000 2.396 141 G HA2 -0.257 3.709 3.960 0.009 0.000 0.214 141 G HA3 -0.257 3.709 3.960 0.009 0.000 0.214 141 G C 1.694 176.652 174.900 0.098 0.000 1.166 141 G CA 0.628 45.809 45.100 0.135 0.000 0.793 141 G HN 0.339 nan 8.290 nan 0.000 0.533 142 R N 1.100 121.616 120.500 0.026 0.000 2.096 142 R HA -0.001 4.344 4.340 0.009 0.000 0.240 142 R C 2.708 178.983 176.300 -0.042 0.000 1.139 142 R CA 2.124 58.226 56.100 0.003 0.000 0.952 142 R CB -0.778 29.516 30.300 -0.010 0.000 0.854 142 R HN 0.243 nan 8.270 nan 0.000 0.436 143 A N 0.022 122.781 122.820 -0.102 0.000 1.873 143 A HA -0.032 4.294 4.320 0.009 0.000 0.215 143 A C 2.182 179.478 177.584 -0.479 0.000 1.186 143 A CA 1.518 53.352 52.037 -0.339 0.000 0.616 143 A CB -0.396 18.303 19.000 -0.502 0.000 0.823 143 A HN 0.370 nan 8.150 nan 0.000 0.442 144 L N -3.013 117.969 121.223 -0.401 0.000 2.477 144 L HA 0.193 4.538 4.340 0.009 0.000 0.220 144 L C 1.272 177.666 176.870 -0.794 0.000 1.106 144 L CA 0.432 54.886 54.840 -0.643 0.000 0.851 144 L CB 0.081 41.681 42.059 -0.766 0.000 0.994 144 L HN 0.397 nan 8.230 nan 0.000 0.462 145 F N -1.465 118.358 119.950 -0.212 0.000 2.831 145 F HA 0.378 4.910 4.527 0.010 0.000 0.334 145 F C 1.681 177.421 175.800 -0.101 0.000 1.071 145 F CA 0.402 58.228 58.000 -0.290 0.000 1.172 145 F CB 0.749 39.463 39.000 -0.476 0.000 1.054 145 F HN -0.010 nan 8.300 nan 0.000 0.572 146 G N 1.109 109.950 108.800 0.069 0.000 2.241 146 G HA2 -0.283 3.683 3.960 0.009 0.000 0.244 146 G HA3 -0.283 3.683 3.960 0.009 0.000 0.244 146 G C 0.063 175.005 174.900 0.071 0.000 0.998 146 G CA 0.354 45.502 45.100 0.079 0.000 0.621 146 G HN 0.468 nan 8.290 nan 0.000 0.519 147 K N -0.142 120.302 120.400 0.073 0.000 2.527 147 K HA 0.704 5.030 4.320 0.009 0.000 0.260 147 K C -3.175 173.430 176.600 0.008 0.000 0.937 147 K CA -2.265 54.044 56.287 0.037 0.000 0.826 147 K CB 2.033 34.556 32.500 0.038 0.000 1.359 147 K HN 0.016 nan 8.250 nan 0.000 0.434 148 P HA -0.082 nan 4.420 nan 0.000 0.265 148 P C -0.491 176.756 177.300 -0.089 0.000 1.187 148 P CA -0.284 62.789 63.100 -0.045 0.000 0.766 148 P CB 0.249 31.927 31.700 -0.036 0.000 0.820 149 L N 2.117 123.257 121.223 -0.138 0.000 2.439 149 L HA 0.092 4.437 4.340 0.009 0.000 0.269 149 L C 1.286 178.055 176.870 -0.169 0.000 1.179 149 L CA -0.032 54.680 54.840 -0.213 0.000 0.828 149 L CB -0.288 41.608 42.059 -0.272 0.000 1.106 149 L HN 0.423 nan 8.230 nan 0.000 0.467 150 S N 4.144 119.746 115.700 -0.162 0.000 2.515 150 S HA 0.103 4.578 4.470 0.009 0.000 0.285 150 S C -1.435 173.095 174.600 -0.117 0.000 1.265 150 S CA -0.799 57.332 58.200 -0.115 0.000 1.079 150 S CB 0.448 63.591 63.200 -0.095 0.000 0.877 150 S HN 0.468 nan 8.310 nan 0.000 0.493 151 P HA -0.160 nan 4.420 nan 0.000 0.216 151 P C 1.761 179.000 177.300 -0.101 0.000 1.153 151 P CA 1.747 64.798 63.100 -0.082 0.000 0.858 151 P CB -0.102 31.570 31.700 -0.046 0.000 0.789 152 S N -0.800 114.834 115.700 -0.110 0.000 2.383 152 S HA -0.152 4.324 4.470 0.009 0.000 0.227 152 S C 1.927 176.410 174.600 -0.195 0.000 1.026 152 S CA 1.048 59.128 58.200 -0.201 0.000 0.981 152 S CB -1.689 61.426 63.200 -0.142 0.000 0.818 152 S HN 0.043 nan 8.310 nan 0.000 0.472 153 L N 2.220 123.401 121.223 -0.069 0.000 2.013 153 L HA -0.006 4.339 4.340 0.009 0.000 0.212 153 L C 2.639 179.489 176.870 -0.033 0.000 1.073 153 L CA 2.096 56.923 54.840 -0.022 0.000 0.753 153 L CB -1.122 40.883 42.059 -0.089 0.000 0.890 153 L HN 0.357 nan 8.230 nan 0.000 0.432 154 A N -1.040 121.735 122.820 -0.074 0.000 1.930 154 A HA -0.190 4.135 4.320 0.009 0.000 0.217 154 A C 2.222 179.833 177.584 0.046 0.000 1.175 154 A CA 1.481 53.508 52.037 -0.016 0.000 0.627 154 A CB -0.695 18.247 19.000 -0.098 0.000 0.815 154 A HN 0.554 nan 8.150 nan 0.000 0.443 155 E N -0.259 119.920 120.200 -0.035 0.000 2.110 155 E HA -0.189 4.166 4.350 0.009 0.000 0.193 155 E C 1.650 178.230 176.600 -0.032 0.000 0.988 155 E CA 1.726 58.093 56.400 -0.055 0.000 0.804 155 E CB -0.420 29.192 29.700 -0.148 0.000 0.745 155 E HN 0.829 nan 8.360 nan 0.000 0.458 156 H N -1.207 117.872 119.070 0.016 0.000 2.357 156 H HA 0.026 4.586 4.556 0.008 0.000 0.301 156 H C 1.868 177.204 175.328 0.013 0.000 1.082 156 H CA 0.932 56.983 56.048 0.005 0.000 1.342 156 H CB 0.039 29.788 29.762 -0.023 0.000 1.389 156 H HN 0.275 nan 8.280 nan 0.000 0.511 157 A N 0.853 123.750 122.820 0.130 0.000 1.933 157 A HA -0.125 4.201 4.320 0.009 0.000 0.218 157 A C 2.287 179.940 177.584 0.115 0.000 1.175 157 A CA 1.112 53.206 52.037 0.096 0.000 0.628 157 A CB -0.631 18.410 19.000 0.069 0.000 0.814 157 A HN 0.297 nan 8.150 nan 0.000 0.444 158 L N -0.897 120.392 121.223 0.109 0.000 2.056 158 L HA -0.159 4.186 4.340 0.009 0.000 0.207 158 L C 2.550 179.483 176.870 0.105 0.000 1.078 158 L CA 1.186 56.081 54.840 0.091 0.000 0.749 158 L CB -0.430 41.671 42.059 0.069 0.000 0.901 158 L HN 0.210 nan 8.230 nan 0.000 0.433 159 K N 0.364 120.833 120.400 0.116 0.000 2.057 159 K HA -0.104 4.221 4.320 0.009 0.000 0.207 159 K C 2.162 178.869 176.600 0.178 0.000 1.049 159 K CA 1.546 57.913 56.287 0.133 0.000 0.931 159 K CB -0.586 31.999 32.500 0.142 0.000 0.714 159 K HN 0.266 nan 8.250 nan 0.000 0.440 160 A N 1.139 124.076 122.820 0.195 0.000 1.933 160 A HA -0.092 4.234 4.320 0.009 0.000 0.218 160 A C 2.319 180.110 177.584 0.347 0.000 1.175 160 A CA 1.112 53.338 52.037 0.315 0.000 0.628 160 A CB -0.598 18.515 19.000 0.188 0.000 0.814 160 A HN 0.198 nan 8.150 nan 0.000 0.444 161 L N -0.365 120.987 121.223 0.215 0.000 2.191 161 L HA -0.181 4.165 4.340 0.009 0.000 0.212 161 L C 1.869 178.813 176.870 0.123 0.000 1.103 161 L CA 1.046 55.983 54.840 0.161 0.000 0.769 161 L CB -0.520 41.609 42.059 0.116 0.000 0.908 161 L HN 0.322 nan 8.230 nan 0.000 0.438 162 D N -0.158 120.314 120.400 0.121 0.000 2.123 162 D HA -0.222 4.423 4.640 0.009 0.000 0.196 162 D C 2.209 178.549 176.300 0.066 0.000 0.992 162 D CA 1.101 55.154 54.000 0.088 0.000 0.833 162 D CB -0.015 40.836 40.800 0.084 0.000 0.954 162 D HN 0.150 nan 8.370 nan 0.000 0.455 163 R N 0.959 121.507 120.500 0.080 0.000 2.070 163 R HA -0.020 4.326 4.340 0.009 0.000 0.232 163 R C 2.373 178.603 176.300 -0.117 0.000 1.138 163 R CA 0.963 57.046 56.100 -0.028 0.000 0.936 163 R CB -0.895 29.375 30.300 -0.050 0.000 0.839 163 R HN 0.131 nan 8.270 nan 0.000 0.429 164 I N 0.201 120.717 120.570 -0.091 0.000 2.423 164 I HA -0.282 3.893 4.170 0.009 0.000 0.254 164 I C 2.008 178.112 176.117 -0.021 0.000 1.151 164 I CA 1.049 62.302 61.300 -0.078 0.000 1.421 164 I CB -0.118 37.893 38.000 0.018 0.000 1.079 164 I HN 0.302 nan 8.210 nan 0.000 0.431 165 M N 0.289 119.899 119.600 0.017 0.000 2.156 165 M HA -0.076 4.409 4.480 0.009 0.000 0.264 165 M C 2.325 178.646 176.300 0.035 0.000 1.067 165 M CA 1.918 57.243 55.300 0.042 0.000 1.131 165 M CB -0.610 32.033 32.600 0.073 0.000 1.368 165 M HN 0.238 nan 8.290 nan 0.000 0.416 166 A N -0.541 122.288 122.820 0.015 0.000 1.873 166 A HA -0.319 4.007 4.320 0.009 0.000 0.218 166 A C 2.140 179.719 177.584 -0.008 0.000 1.193 166 A CA 2.342 54.381 52.037 0.004 0.000 0.629 166 A CB -1.128 17.867 19.000 -0.009 0.000 0.826 166 A HN 0.670 nan 8.150 nan 0.000 0.447 167 Q N -1.100 118.678 119.800 -0.037 0.000 2.077 167 Q HA -0.197 4.149 4.340 0.009 0.000 0.206 167 Q C 2.056 178.060 176.000 0.008 0.000 0.989 167 Q CA 2.303 58.086 55.803 -0.035 0.000 0.853 167 Q CB -0.384 28.307 28.738 -0.077 0.000 0.907 167 Q HN 0.620 nan 8.270 nan 0.000 0.418 168 T N 0.561 115.135 114.554 0.033 0.000 2.759 168 T HA -0.190 4.166 4.350 0.009 0.000 0.269 168 T C 1.661 176.417 174.700 0.093 0.000 1.042 168 T CA 1.498 63.663 62.100 0.109 0.000 1.140 168 T CB -0.248 68.669 68.868 0.082 0.000 0.864 168 T HN 0.343 nan 8.240 nan 0.000 0.455 169 R N 0.661 121.190 120.500 0.048 0.000 2.092 169 R HA 0.029 4.375 4.340 0.009 0.000 0.231 169 R C 0.490 176.776 176.300 -0.024 0.000 1.119 169 R CA 1.021 57.132 56.100 0.019 0.000 0.970 169 R CB 0.113 30.432 30.300 0.031 0.000 0.864 169 R HN 0.287 nan 8.270 nan 0.000 0.440 170 S N -1.676 114.016 115.700 -0.014 0.000 2.560 170 S HA 0.269 4.745 4.470 0.009 0.000 0.283 170 S C -2.556 172.040 174.600 -0.007 0.000 1.141 170 S CA -1.322 56.869 58.200 -0.016 0.000 0.902 170 S CB 2.107 65.308 63.200 0.002 0.000 1.104 170 S HN -0.005 nan 8.310 nan 0.000 0.454 171 P HA 0.045 nan 4.420 nan 0.000 0.230 171 P C 1.247 178.552 177.300 0.009 0.000 1.158 171 P CA 0.332 63.436 63.100 0.007 0.000 0.769 171 P CB 0.031 31.746 31.700 0.026 0.000 0.807 172 L N -0.718 120.513 121.223 0.014 0.000 2.395 172 L HA 0.083 4.429 4.340 0.009 0.000 0.218 172 L C 2.411 179.283 176.870 0.004 0.000 1.130 172 L CA 0.900 55.749 54.840 0.014 0.000 0.826 172 L CB -2.080 39.991 42.059 0.021 0.000 0.941 172 L HN -0.028 nan 8.230 nan 0.000 0.451 173 A N 0.442 123.260 122.820 -0.004 0.000 1.997 173 A HA -0.262 4.063 4.320 0.009 0.000 0.221 173 A C 2.320 179.892 177.584 -0.020 0.000 1.172 173 A CA 1.828 53.857 52.037 -0.013 0.000 0.645 173 A CB -0.765 18.219 19.000 -0.026 0.000 0.813 173 A HN 0.414 nan 8.150 nan 0.000 0.454 174 L N -0.451 120.758 121.223 -0.022 0.000 2.187 174 L HA -0.143 4.203 4.340 0.009 0.000 0.213 174 L C 2.001 178.870 176.870 -0.002 0.000 1.100 174 L CA 1.613 56.442 54.840 -0.020 0.000 0.765 174 L CB -0.321 41.729 42.059 -0.014 0.000 0.904 174 L HN 0.420 nan 8.230 nan 0.000 0.437 175 L N -0.924 120.302 121.223 0.004 0.000 2.275 175 L HA -0.100 4.246 4.340 0.009 0.000 0.215 175 L C 0.935 177.811 176.870 0.011 0.000 1.119 175 L CA 0.469 55.315 54.840 0.009 0.000 0.790 175 L CB -0.793 41.273 42.059 0.010 0.000 0.919 175 L HN 0.195 nan 8.230 nan 0.000 0.443 176 D N 1.093 121.498 120.400 0.008 0.000 2.482 176 D HA 0.016 4.662 4.640 0.009 0.000 0.244 176 D C 1.244 177.556 176.300 0.020 0.000 1.242 176 D CA 0.241 54.248 54.000 0.013 0.000 1.097 176 D CB 0.461 41.268 40.800 0.011 0.000 1.109 176 D HN 0.203 nan 8.370 nan 0.000 0.510 177 L N 2.061 123.298 121.223 0.023 0.000 2.093 177 L HA -0.152 4.193 4.340 0.009 0.000 0.208 177 L C 2.487 179.379 176.870 0.038 0.000 1.085 177 L CA 1.038 55.895 54.840 0.029 0.000 0.755 177 L CB -0.453 41.621 42.059 0.025 0.000 0.904 177 L HN 0.310 nan 8.230 nan 0.000 0.435 178 A N 0.435 123.277 122.820 0.035 0.000 1.877 178 A HA -0.156 4.170 4.320 0.009 0.000 0.216 178 A C 2.580 180.196 177.584 0.054 0.000 1.186 178 A CA 1.775 53.836 52.037 0.040 0.000 0.620 178 A CB -0.723 18.297 19.000 0.033 0.000 0.822 178 A HN 0.382 nan 8.150 nan 0.000 0.443 179 A N -0.456 122.395 122.820 0.051 0.000 1.940 179 A HA -0.163 4.163 4.320 0.009 0.000 0.219 179 A C 1.932 179.575 177.584 0.098 0.000 1.176 179 A CA 1.732 53.808 52.037 0.066 0.000 0.631 179 A CB -0.413 18.613 19.000 0.043 0.000 0.814 179 A HN 0.496 nan 8.150 nan 0.000 0.446 180 E N -0.185 120.063 120.200 0.081 0.000 2.152 180 E HA -0.051 4.305 4.350 0.009 0.000 0.192 180 E C 2.301 179.003 176.600 0.171 0.000 0.983 180 E CA 1.047 57.517 56.400 0.118 0.000 0.818 180 E CB -0.495 29.244 29.700 0.065 0.000 0.758 180 E HN 0.590 nan 8.360 nan 0.000 0.467 181 A N 1.590 124.476 122.820 0.111 0.000 1.930 181 A HA -0.165 4.161 4.320 0.009 0.000 0.217 181 A C 2.176 179.818 177.584 0.097 0.000 1.175 181 A CA 1.117 53.209 52.037 0.092 0.000 0.627 181 A CB -0.385 18.651 19.000 0.059 0.000 0.815 181 A HN 0.088 nan 8.150 nan 0.000 0.443 182 R N -1.866 118.700 120.500 0.109 0.000 2.081 182 R HA -0.135 4.210 4.340 0.009 0.000 0.235 182 R C 2.006 178.389 176.300 0.139 0.000 1.131 182 R CA 1.652 57.816 56.100 0.106 0.000 0.960 182 R CB -0.501 29.865 30.300 0.109 0.000 0.856 182 R HN 0.645 nan 8.270 nan 0.000 0.436 183 F N 1.734 121.704 119.950 0.033 0.000 2.102 183 F HA -0.154 4.382 4.527 0.015 0.000 0.298 183 F C 2.198 178.016 175.800 0.031 0.000 1.105 183 F CA 1.415 59.438 58.000 0.039 0.000 1.239 183 F CB -0.037 38.988 39.000 0.042 0.000 0.991 183 F HN -0.202 nan 8.300 nan 0.000 0.474 184 R N 0.365 120.865 120.500 0.000 0.000 2.127 184 R HA -0.198 4.148 4.340 0.009 0.000 0.238 184 R C 2.285 178.490 176.300 -0.158 0.000 1.134 184 R CA 1.735 57.751 56.100 -0.139 0.000 0.975 184 R CB -0.441 29.864 30.300 0.008 0.000 0.865 184 R HN 0.339 nan 8.270 nan 0.000 0.447 185 K N 0.878 121.222 120.400 -0.093 0.000 2.001 185 K HA -0.142 4.184 4.320 0.009 0.000 0.208 185 K C 1.483 177.971 176.600 -0.188 0.000 1.048 185 K CA 1.768 57.993 56.287 -0.103 0.000 0.932 185 K CB 0.037 32.510 32.500 -0.046 0.000 0.715 185 K HN -0.026 nan 8.250 nan 0.000 0.437 186 D N 0.404 120.704 120.400 -0.166 0.000 2.087 186 D HA -0.213 4.432 4.640 0.009 0.000 0.192 186 D C 2.024 178.169 176.300 -0.258 0.000 0.993 186 D CA 1.267 55.146 54.000 -0.202 0.000 0.828 186 D CB -0.265 40.519 40.800 -0.027 0.000 0.968 186 D HN 0.268 nan 8.370 nan 0.000 0.448 187 R N 0.608 120.901 120.500 -0.345 0.000 2.091 187 R HA -0.128 4.218 4.340 0.009 0.000 0.238 187 R C 2.325 178.579 176.300 -0.077 0.000 1.136 187 R CA 1.838 57.780 56.100 -0.264 0.000 0.959 187 R CB -0.609 29.357 30.300 -0.558 0.000 0.856 187 R HN 0.198 nan 8.270 nan 0.000 0.437 188 G N 0.014 108.725 108.800 -0.147 0.000 2.491 188 G HA2 -0.343 3.623 3.960 0.009 0.000 0.218 188 G HA3 -0.343 3.623 3.960 0.009 0.000 0.218 188 G C 1.516 176.368 174.900 -0.080 0.000 1.180 188 G CA 1.028 46.075 45.100 -0.088 0.000 0.774 188 G HN 0.516 nan 8.290 nan 0.000 0.562 189 A N 0.272 122.971 122.820 -0.203 0.000 1.898 189 A HA 0.105 4.431 4.320 0.009 0.000 0.216 189 A C 2.374 179.864 177.584 -0.158 0.000 1.181 189 A CA 1.737 53.619 52.037 -0.258 0.000 0.620 189 A CB -0.516 18.086 19.000 -0.663 0.000 0.819 189 A HN 0.505 nan 8.150 nan 0.000 0.442 190 L N -1.199 119.931 121.223 -0.155 0.000 1.997 190 L HA -0.226 4.120 4.340 0.009 0.000 0.216 190 L C 2.260 179.052 176.870 -0.130 0.000 1.074 190 L CA 2.229 57.014 54.840 -0.093 0.000 0.763 190 L CB -1.045 40.945 42.059 -0.116 0.000 0.890 190 L HN 0.473 nan 8.230 nan 0.000 0.434 191 Y N -0.511 119.743 120.300 -0.076 0.000 2.352 191 Y HA -0.131 4.424 4.550 0.008 0.000 0.292 191 Y C 2.693 178.567 175.900 -0.043 0.000 1.136 191 Y CA 1.292 59.361 58.100 -0.052 0.000 1.227 191 Y CB -0.189 38.239 38.460 -0.053 0.000 0.991 191 Y HN 0.190 nan 8.280 nan 0.000 0.545 192 R N 0.196 120.738 120.500 0.070 0.000 2.062 192 R HA -0.157 4.188 4.340 0.009 0.000 0.231 192 R C 1.972 178.274 176.300 0.003 0.000 1.136 192 R CA 1.851 57.968 56.100 0.028 0.000 0.948 192 R CB -0.235 30.067 30.300 0.004 0.000 0.845 192 R HN 0.383 nan 8.270 nan 0.000 0.430 193 E N 0.001 120.192 120.200 -0.015 0.000 2.265 193 E HA -0.134 4.222 4.350 0.009 0.000 0.196 193 E C 1.641 178.200 176.600 -0.069 0.000 0.996 193 E CA 0.992 57.372 56.400 -0.032 0.000 0.832 193 E CB 0.028 29.716 29.700 -0.020 0.000 0.756 193 E HN 0.366 nan 8.360 nan 0.000 0.491 194 A N 0.874 123.640 122.820 -0.090 0.000 2.123 194 A HA -0.103 4.222 4.320 0.009 0.000 0.214 194 A C 1.890 179.443 177.584 -0.050 0.000 1.152 194 A CA 0.700 52.662 52.037 -0.125 0.000 0.728 194 A CB -0.106 18.764 19.000 -0.217 0.000 0.814 194 A HN 0.067 nan 8.150 nan 0.000 0.464 195 E N 0.700 120.896 120.200 -0.006 0.000 2.114 195 E HA -0.199 4.157 4.350 0.009 0.000 0.199 195 E C 1.911 178.527 176.600 0.026 0.000 1.008 195 E CA 1.650 58.065 56.400 0.025 0.000 0.810 195 E CB -0.375 29.343 29.700 0.028 0.000 0.739 195 E HN 0.548 nan 8.360 nan 0.000 0.456 196 A N -0.347 122.476 122.820 0.005 0.000 2.172 196 A HA -0.039 4.286 4.320 0.009 0.000 0.216 196 A C 1.945 179.572 177.584 0.071 0.000 1.154 196 A CA 0.821 52.875 52.037 0.028 0.000 0.701 196 A CB -0.362 18.635 19.000 -0.004 0.000 0.789 196 A HN 0.306 nan 8.150 nan 0.000 0.465 197 L N -0.588 120.633 121.223 -0.003 0.000 2.375 197 L HA 0.113 4.459 4.340 0.009 0.000 0.215 197 L C 2.123 179.142 176.870 0.249 0.000 1.108 197 L CA 0.675 55.520 54.840 0.007 0.000 0.830 197 L CB -0.375 41.530 42.059 -0.258 0.000 0.959 197 L HN 0.616 nan 8.230 nan 0.000 0.457 198 I N -1.806 118.863 120.570 0.165 0.000 3.684 198 I HA -0.016 4.160 4.170 0.009 0.000 0.304 198 I C 2.057 178.260 176.117 0.143 0.000 1.278 198 I CA 0.279 61.672 61.300 0.155 0.000 1.272 198 I CB 0.003 38.063 38.000 0.100 0.000 1.029 198 I HN 0.044 nan 8.210 nan 0.000 0.458 199 V N -0.589 119.419 119.914 0.157 0.000 2.809 199 V HA -0.027 4.099 4.120 0.009 0.000 0.256 199 V C 0.840 176.939 176.094 0.008 0.000 1.080 199 V CA 0.741 63.075 62.300 0.057 0.000 1.102 199 V CB -1.551 30.263 31.823 -0.016 0.000 0.705 199 V HN 0.452 nan 8.190 nan 0.000 0.475 200 H N 2.304 121.421 119.070 0.078 0.000 2.646 200 H HA 0.497 5.059 4.556 0.010 0.000 0.325 200 H C -2.537 172.767 175.328 -0.041 0.000 1.075 200 H CA -1.833 54.242 56.048 0.045 0.000 1.421 200 H CB 0.502 30.329 29.762 0.110 0.000 1.461 200 H HN 0.308 nan 8.280 nan 0.000 0.525 201 P HA 0.027 nan 4.420 nan 0.000 0.275 201 P C -1.786 175.370 177.300 -0.241 0.000 1.228 201 P CA -1.450 61.500 63.100 -0.249 0.000 0.786 201 P CB 0.618 32.234 31.700 -0.140 0.000 0.927 202 P HA 0.064 nan 4.420 nan 0.000 0.245 202 P C 1.321 178.410 177.300 -0.352 0.000 1.212 202 P CA 0.556 63.305 63.100 -0.584 0.000 0.774 202 P CB 0.111 31.649 31.700 -0.270 0.000 0.999 203 L N 0.746 121.880 121.223 -0.148 0.000 2.012 203 L HA -0.183 4.162 4.340 0.009 0.000 0.210 203 L C 2.691 179.566 176.870 0.008 0.000 1.073 203 L CA 2.161 56.990 54.840 -0.018 0.000 0.748 203 L CB -1.123 40.979 42.059 0.073 0.000 0.891 203 L HN 0.130 nan 8.230 nan 0.000 0.431 204 S N -1.449 114.256 115.700 0.009 0.000 2.440 204 S HA -0.246 4.229 4.470 0.009 0.000 0.238 204 S C 1.579 176.281 174.600 0.170 0.000 1.010 204 S CA 1.170 59.418 58.200 0.079 0.000 0.972 204 S CB -0.926 62.332 63.200 0.096 0.000 0.774 204 S HN 0.582 nan 8.310 nan 0.000 0.501 205 H N 0.456 119.542 119.070 0.026 0.000 2.546 205 H HA 0.290 4.852 4.556 0.010 0.000 0.277 205 H C 0.381 175.717 175.328 0.013 0.000 1.004 205 H CA 0.015 56.072 56.048 0.014 0.000 1.231 205 H CB -0.078 29.689 29.762 0.008 0.000 1.382 205 H HN 0.355 nan 8.280 nan 0.000 0.580 206 L N 1.451 122.746 121.223 0.119 0.000 2.375 206 L HA 0.296 4.642 4.340 0.009 0.000 0.268 206 L C -2.020 174.884 176.870 0.057 0.000 1.058 206 L CA -2.486 52.396 54.840 0.071 0.000 0.803 206 L CB 0.682 42.772 42.059 0.051 0.000 1.212 206 L HN -0.137 nan 8.230 nan 0.000 0.451 207 P HA 0.034 nan 4.420 nan 0.000 0.262 207 P C 0.386 177.709 177.300 0.039 0.000 1.199 207 P CA 0.033 63.153 63.100 0.033 0.000 0.763 207 P CB 0.485 32.198 31.700 0.021 0.000 0.790 208 R N 3.146 123.670 120.500 0.040 0.000 2.270 208 R HA -0.356 3.989 4.340 0.009 0.000 0.260 208 R C 1.783 178.113 176.300 0.051 0.000 1.127 208 R CA 2.514 58.642 56.100 0.046 0.000 0.969 208 R CB -0.329 29.993 30.300 0.037 0.000 0.918 208 R HN 0.495 nan 8.270 nan 0.000 0.455 209 E N -0.101 120.121 120.200 0.037 0.000 2.001 209 E HA -0.232 4.124 4.350 0.009 0.000 0.195 209 E C 1.945 178.576 176.600 0.051 0.000 1.002 209 E CA 1.824 58.244 56.400 0.033 0.000 0.819 209 E CB -0.338 29.369 29.700 0.011 0.000 0.769 209 E HN 0.233 nan 8.360 nan 0.000 0.454 210 R N 0.354 120.877 120.500 0.039 0.000 2.134 210 R HA -0.209 4.137 4.340 0.009 0.000 0.248 210 R C 2.167 178.506 176.300 0.064 0.000 1.143 210 R CA 2.104 58.231 56.100 0.045 0.000 0.957 210 R CB -1.115 29.202 30.300 0.028 0.000 0.867 210 R HN 0.327 nan 8.270 nan 0.000 0.441 211 A N -0.211 122.647 122.820 0.065 0.000 1.908 211 A HA -0.158 4.167 4.320 0.009 0.000 0.218 211 A C 2.014 179.653 177.584 0.091 0.000 1.181 211 A CA 1.554 53.634 52.037 0.072 0.000 0.627 211 A CB -0.586 18.456 19.000 0.070 0.000 0.818 211 A HN 0.298 nan 8.150 nan 0.000 0.445 212 L N -0.295 121.001 121.223 0.120 0.000 2.056 212 L HA -0.044 4.302 4.340 0.009 0.000 0.207 212 L C 2.742 179.730 176.870 0.197 0.000 1.078 212 L CA 2.101 57.042 54.840 0.169 0.000 0.749 212 L CB -0.995 41.234 42.059 0.283 0.000 0.901 212 L HN 0.321 nan 8.230 nan 0.000 0.433 213 S N -0.723 115.110 115.700 0.221 0.000 2.399 213 S HA -0.136 4.340 4.470 0.009 0.000 0.231 213 S C 1.744 176.411 174.600 0.110 0.000 1.022 213 S CA 0.924 59.248 58.200 0.206 0.000 0.983 213 S CB -0.099 63.194 63.200 0.154 0.000 0.803 213 S HN 0.447 nan 8.310 nan 0.000 0.480 214 E N 1.184 121.435 120.200 0.085 0.000 2.170 214 E HA 0.112 4.467 4.350 0.009 0.000 0.191 214 E C 2.309 178.947 176.600 0.063 0.000 0.981 214 E CA 0.777 57.217 56.400 0.066 0.000 0.830 214 E CB -0.372 29.362 29.700 0.057 0.000 0.775 214 E HN 0.474 nan 8.360 nan 0.000 0.470 215 A N 1.167 124.022 122.820 0.058 0.000 1.902 215 A HA -0.115 4.211 4.320 0.009 0.000 0.217 215 A C 2.541 180.111 177.584 -0.023 0.000 1.181 215 A CA 1.255 53.320 52.037 0.047 0.000 0.623 215 A CB -0.609 18.401 19.000 0.015 0.000 0.818 215 A HN 0.120 nan 8.150 nan 0.000 0.443 216 V N -0.427 119.436 119.914 -0.084 0.000 2.548 216 V HA -0.167 3.959 4.120 0.009 0.000 0.249 216 V C 2.669 178.747 176.094 -0.025 0.000 1.055 216 V CA 2.269 64.487 62.300 -0.137 0.000 1.065 216 V CB -0.944 30.694 31.823 -0.308 0.000 0.681 216 V HN 0.598 nan 8.190 nan 0.000 0.462 217 T N 0.257 114.824 114.554 0.022 0.000 2.777 217 T HA -0.084 4.272 4.350 0.009 0.000 0.266 217 T C 1.884 176.607 174.700 0.038 0.000 1.040 217 T CA 1.311 63.438 62.100 0.046 0.000 1.141 217 T CB -0.200 68.701 68.868 0.056 0.000 0.868 217 T HN 0.277 nan 8.240 nan 0.000 0.444 218 L N 0.358 121.606 121.223 0.041 0.000 2.083 218 L HA -0.053 4.293 4.340 0.009 0.000 0.209 218 L C 2.430 179.333 176.870 0.055 0.000 1.083 218 L CA 0.863 55.734 54.840 0.051 0.000 0.752 218 L CB -0.491 41.639 42.059 0.117 0.000 0.899 218 L HN 0.256 nan 8.230 nan 0.000 0.433 219 L N -0.510 120.736 121.223 0.037 0.000 1.994 219 L HA -0.171 4.174 4.340 0.009 0.000 0.208 219 L C 2.377 179.297 176.870 0.083 0.000 1.071 219 L CA 1.651 56.510 54.840 0.032 0.000 0.745 219 L CB -0.392 41.648 42.059 -0.032 0.000 0.892 219 L HN -0.111 nan 8.230 nan 0.000 0.431 220 V N 0.096 120.049 119.914 0.066 0.000 2.407 220 V HA -0.283 3.842 4.120 0.009 0.000 0.248 220 V C 2.745 178.891 176.094 0.087 0.000 1.055 220 V CA 1.674 64.024 62.300 0.083 0.000 1.049 220 V CB -1.146 30.722 31.823 0.075 0.000 0.662 220 V HN 0.631 nan 8.190 nan 0.000 0.455 221 A N -0.230 122.634 122.820 0.073 0.000 1.929 221 A HA 0.068 4.394 4.320 0.009 0.000 0.216 221 A C 2.182 179.820 177.584 0.091 0.000 1.176 221 A CA 1.672 53.751 52.037 0.069 0.000 0.628 221 A CB -0.567 18.455 19.000 0.037 0.000 0.816 221 A HN 0.560 nan 8.150 nan 0.000 0.444 222 G N -2.972 105.889 108.800 0.101 0.000 3.192 222 G HA2 0.187 4.153 3.960 0.009 0.000 0.239 222 G HA3 0.187 4.153 3.960 0.009 0.000 0.239 222 G C 1.070 176.090 174.900 0.201 0.000 1.084 222 G CA 0.652 45.829 45.100 0.129 0.000 0.784 222 G HN 0.696 nan 8.290 nan 0.000 0.540 223 H N 0.040 119.147 119.070 0.062 0.000 2.284 223 H HA 0.187 4.749 4.556 0.010 0.000 0.314 223 H C 2.086 177.449 175.328 0.058 0.000 1.058 223 H CA 0.940 57.018 56.048 0.050 0.000 1.394 223 H CB 0.340 30.114 29.762 0.020 0.000 1.431 223 H HN 0.325 nan 8.280 nan 0.000 0.537 224 E N 0.178 120.301 120.200 -0.129 0.000 2.216 224 E HA -0.103 4.253 4.350 0.009 0.000 0.192 224 E C 2.033 178.625 176.600 -0.013 0.000 0.988 224 E CA 1.211 57.494 56.400 -0.195 0.000 0.834 224 E CB 0.203 29.813 29.700 -0.150 0.000 0.772 224 E HN 0.626 nan 8.360 nan 0.000 0.479 225 T N -1.329 113.262 114.554 0.061 0.000 2.652 225 T HA -0.151 4.205 4.350 0.009 0.000 0.267 225 T C 1.973 176.756 174.700 0.139 0.000 1.039 225 T CA 1.459 63.617 62.100 0.098 0.000 1.153 225 T CB -0.692 68.241 68.868 0.108 0.000 0.863 225 T HN 0.008 nan 8.240 nan 0.000 0.428 226 V N 2.260 122.285 119.914 0.185 0.000 2.427 226 V HA -0.002 4.124 4.120 0.009 0.000 0.248 226 V C 3.241 179.447 176.094 0.186 0.000 1.051 226 V CA 1.385 63.837 62.300 0.254 0.000 1.048 226 V CB -1.446 30.539 31.823 0.270 0.000 0.666 226 V HN 0.679 nan 8.190 nan 0.000 0.456 227 A N -0.267 122.616 122.820 0.105 0.000 1.933 227 A HA -0.239 4.086 4.320 0.009 0.000 0.218 227 A C 2.578 180.171 177.584 0.015 0.000 1.175 227 A CA 2.289 54.351 52.037 0.042 0.000 0.628 227 A CB -0.723 18.253 19.000 -0.040 0.000 0.814 227 A HN 0.516 nan 8.150 nan 0.000 0.444 228 S N -0.341 115.374 115.700 0.025 0.000 2.368 228 S HA 0.024 4.499 4.470 0.009 0.000 0.224 228 S C 2.195 176.857 174.600 0.104 0.000 1.029 228 S CA 1.460 59.665 58.200 0.008 0.000 0.988 228 S CB -0.516 62.761 63.200 0.128 0.000 0.838 228 S HN 0.847 nan 8.310 nan 0.000 0.462 229 A N 1.578 124.512 122.820 0.190 0.000 1.940 229 A HA 0.026 4.351 4.320 0.009 0.000 0.219 229 A C 2.260 179.968 177.584 0.205 0.000 1.176 229 A CA 1.557 53.706 52.037 0.187 0.000 0.631 229 A CB -0.872 18.170 19.000 0.070 0.000 0.814 229 A HN 0.591 nan 8.150 nan 0.000 0.446 230 L N -0.958 120.387 121.223 0.203 0.000 2.017 230 L HA -0.171 4.174 4.340 0.009 0.000 0.208 230 L C 2.863 179.659 176.870 -0.124 0.000 1.073 230 L CA 1.826 56.682 54.840 0.027 0.000 0.745 230 L CB -0.896 41.192 42.059 0.049 0.000 0.894 230 L HN 0.358 nan 8.230 nan 0.000 0.432 231 T N -1.161 113.344 114.554 -0.081 0.000 2.652 231 T HA -0.239 4.116 4.350 0.009 0.000 0.267 231 T C 1.430 175.949 174.700 -0.301 0.000 1.039 231 T CA 1.872 63.854 62.100 -0.197 0.000 1.153 231 T CB -0.474 68.132 68.868 -0.438 0.000 0.863 231 T HN 0.393 nan 8.240 nan 0.000 0.428 232 W N 1.483 122.694 121.300 -0.148 0.000 2.342 232 W HA -0.104 4.559 4.660 0.005 0.000 0.297 232 W C 2.955 179.344 176.519 -0.217 0.000 1.213 232 W CA 0.456 57.626 57.345 -0.292 0.000 1.251 232 W CB -0.582 28.665 29.460 -0.355 0.000 1.136 232 W HN 0.159 nan 8.180 nan 0.000 0.526 233 S N 0.283 116.008 115.700 0.041 0.000 2.356 233 S HA -0.177 4.298 4.470 0.009 0.000 0.223 233 S C 1.487 176.071 174.600 -0.026 0.000 1.032 233 S CA 1.377 59.571 58.200 -0.009 0.000 1.005 233 S CB -0.812 62.388 63.200 -0.000 0.000 0.867 233 S HN 0.231 nan 8.310 nan 0.000 0.449 234 F N 1.510 121.493 119.950 0.054 0.000 2.095 234 F HA -0.106 4.426 4.527 0.008 0.000 0.298 234 F C 2.334 178.118 175.800 -0.026 0.000 1.104 234 F CA 0.709 58.729 58.000 0.032 0.000 1.232 234 F CB -0.355 38.558 39.000 -0.146 0.000 0.987 234 F HN 0.152 nan 8.300 nan 0.000 0.475 235 L N 0.338 121.574 121.223 0.022 0.000 1.990 235 L HA -0.277 4.069 4.340 0.009 0.000 0.213 235 L C 2.252 178.976 176.870 -0.242 0.000 1.072 235 L CA 1.791 56.527 54.840 -0.174 0.000 0.755 235 L CB -0.462 41.424 42.059 -0.288 0.000 0.889 235 L HN 0.228 nan 8.230 nan 0.000 0.432 236 L N -0.704 120.344 121.223 -0.292 0.000 2.093 236 L HA -0.229 4.117 4.340 0.009 0.000 0.208 236 L C 2.487 179.074 176.870 -0.471 0.000 1.085 236 L CA 0.881 55.360 54.840 -0.602 0.000 0.755 236 L CB -0.292 41.063 42.059 -1.173 0.000 0.904 236 L HN 0.300 nan 8.230 nan 0.000 0.435 237 L N -0.547 120.585 121.223 -0.153 0.000 2.291 237 L HA -0.115 4.231 4.340 0.009 0.000 0.214 237 L C 2.747 179.751 176.870 0.223 0.000 1.120 237 L CA 0.965 55.875 54.840 0.116 0.000 0.799 237 L CB -0.368 41.801 42.059 0.182 0.000 0.925 237 L HN 0.370 nan 8.230 nan 0.000 0.446 238 S N -1.476 114.372 115.700 0.247 0.000 2.442 238 S HA -0.210 4.265 4.470 0.009 0.000 0.236 238 S C 1.461 176.178 174.600 0.197 0.000 1.007 238 S CA 0.989 59.336 58.200 0.246 0.000 0.965 238 S CB -0.484 62.819 63.200 0.172 0.000 0.773 238 S HN 0.497 nan 8.310 nan 0.000 0.504 239 H N 0.774 119.903 119.070 0.097 0.000 2.529 239 H HA 0.437 4.999 4.556 0.009 0.000 0.277 239 H C 0.137 175.582 175.328 0.194 0.000 1.004 239 H CA 0.014 56.151 56.048 0.149 0.000 1.167 239 H CB 0.332 30.207 29.762 0.188 0.000 1.445 239 H HN 0.129 nan 8.280 nan 0.000 0.554 240 R N 0.818 121.512 120.500 0.323 0.000 2.639 240 R HA 0.174 4.519 4.340 0.009 0.000 0.273 240 R C -2.302 174.163 176.300 0.274 0.000 1.732 240 R CA -1.655 54.650 56.100 0.341 0.000 1.586 240 R CB 0.838 31.423 30.300 0.475 0.000 1.263 240 R HN 0.173 nan 8.270 nan 0.000 0.615 241 P HA -0.196 nan 4.420 nan 0.000 0.218 241 P C 0.809 178.175 177.300 0.111 0.000 1.148 241 P CA 1.310 64.495 63.100 0.142 0.000 0.822 241 P CB 0.316 32.084 31.700 0.113 0.000 0.784 242 D N -0.792 119.683 120.400 0.125 0.000 2.104 242 D HA -0.219 4.427 4.640 0.009 0.000 0.194 242 D C 1.857 178.134 176.300 -0.038 0.000 0.994 242 D CA 1.281 55.306 54.000 0.042 0.000 0.830 242 D CB -1.446 39.385 40.800 0.052 0.000 0.959 242 D HN 0.229 nan 8.370 nan 0.000 0.452 243 W N 1.486 122.800 121.300 0.024 0.000 2.425 243 W HA 0.022 4.688 4.660 0.010 0.000 0.277 243 W C 2.790 179.241 176.519 -0.113 0.000 1.231 243 W CA 0.866 58.210 57.345 -0.002 0.000 1.248 243 W CB -0.195 29.307 29.460 0.069 0.000 1.117 243 W HN 0.101 nan 8.180 nan 0.000 0.568 244 Q N 0.245 120.031 119.800 -0.025 0.000 2.119 244 Q HA -0.214 4.131 4.340 0.009 0.000 0.201 244 Q C 2.114 178.029 176.000 -0.142 0.000 0.972 244 Q CA 1.501 57.089 55.803 -0.357 0.000 0.847 244 Q CB -0.417 28.170 28.738 -0.251 0.000 0.903 244 Q HN 0.293 nan 8.270 nan 0.000 0.433 245 K N 0.844 121.215 120.400 -0.047 0.000 2.057 245 K HA -0.123 4.203 4.320 0.009 0.000 0.206 245 K C 2.103 178.655 176.600 -0.080 0.000 1.050 245 K CA 0.811 57.077 56.287 -0.035 0.000 0.935 245 K CB 0.168 32.646 32.500 -0.036 0.000 0.715 245 K HN 0.042 nan 8.250 nan 0.000 0.439 246 R N 0.470 120.863 120.500 -0.178 0.000 2.073 246 R HA -0.103 4.243 4.340 0.009 0.000 0.234 246 R C 2.351 178.593 176.300 -0.098 0.000 1.134 246 R CA 1.373 57.320 56.100 -0.256 0.000 0.952 246 R CB -0.920 28.989 30.300 -0.652 0.000 0.850 246 R HN 0.120 nan 8.270 nan 0.000 0.433 247 V N 1.635 121.547 119.914 -0.003 0.000 2.392 247 V HA -0.245 3.880 4.120 0.009 0.000 0.249 247 V C 2.621 178.792 176.094 0.127 0.000 1.059 247 V CA 1.893 64.260 62.300 0.112 0.000 1.051 247 V CB -0.840 31.057 31.823 0.123 0.000 0.658 247 V HN 0.374 nan 8.190 nan 0.000 0.455 248 A N -0.439 122.450 122.820 0.116 0.000 1.933 248 A HA -0.221 4.105 4.320 0.009 0.000 0.218 248 A C 2.133 179.753 177.584 0.060 0.000 1.175 248 A CA 1.873 53.985 52.037 0.125 0.000 0.628 248 A CB -0.335 18.735 19.000 0.117 0.000 0.814 248 A HN 0.649 nan 8.150 nan 0.000 0.444 249 E N -0.454 119.758 120.200 0.021 0.000 2.447 249 E HA 0.078 4.433 4.350 0.009 0.000 0.195 249 E C -0.031 176.571 176.600 0.002 0.000 1.028 249 E CA 0.500 56.900 56.400 0.000 0.000 0.876 249 E CB 0.218 29.902 29.700 -0.028 0.000 0.885 249 E HN 0.601 nan 8.360 nan 0.000 0.500 250 S N -0.650 115.058 115.700 0.012 0.000 2.572 250 S HA 0.273 4.749 4.470 0.009 0.000 0.274 250 S C 0.190 174.822 174.600 0.053 0.000 1.150 250 S CA -0.851 57.360 58.200 0.019 0.000 0.944 250 S CB 2.119 65.316 63.200 -0.005 0.000 1.071 250 S HN -0.037 nan 8.310 nan 0.000 0.479 251 E N 1.725 121.955 120.200 0.051 0.000 2.110 251 E HA -0.114 4.242 4.350 0.009 0.000 0.193 251 E C 2.390 179.041 176.600 0.085 0.000 0.988 251 E CA 1.623 58.060 56.400 0.062 0.000 0.804 251 E CB -0.205 29.521 29.700 0.043 0.000 0.745 251 E HN 0.931 nan 8.360 nan 0.000 0.458 252 E N 0.902 121.151 120.200 0.081 0.000 2.051 252 E HA -0.136 4.219 4.350 0.009 0.000 0.192 252 E C 1.974 178.675 176.600 0.169 0.000 0.991 252 E CA 1.368 57.833 56.400 0.109 0.000 0.799 252 E CB -0.786 28.967 29.700 0.088 0.000 0.748 252 E HN 0.340 nan 8.360 nan 0.000 0.449 253 A N 0.704 123.619 122.820 0.158 0.000 1.930 253 A HA 0.320 4.645 4.320 0.009 0.000 0.217 253 A C 2.804 180.609 177.584 0.368 0.000 1.175 253 A CA 2.165 54.373 52.037 0.285 0.000 0.627 253 A CB -0.599 18.424 19.000 0.038 0.000 0.815 253 A HN 0.964 nan 8.150 nan 0.000 0.443 254 A N -0.370 122.592 122.820 0.235 0.000 1.902 254 A HA -0.032 4.294 4.320 0.009 0.000 0.217 254 A C 2.126 179.851 177.584 0.234 0.000 1.181 254 A CA 1.737 53.911 52.037 0.229 0.000 0.623 254 A CB -0.583 18.513 19.000 0.159 0.000 0.818 254 A HN 0.682 nan 8.150 nan 0.000 0.443 255 L N -0.276 121.066 121.223 0.199 0.000 2.027 255 L HA 0.008 4.354 4.340 0.009 0.000 0.206 255 L C 2.663 179.658 176.870 0.208 0.000 1.074 255 L CA 2.158 57.119 54.840 0.201 0.000 0.745 255 L CB -0.889 41.260 42.059 0.151 0.000 0.898 255 L HN 0.332 nan 8.230 nan 0.000 0.433 256 A N -0.239 122.713 122.820 0.221 0.000 1.883 256 A HA -0.188 4.138 4.320 0.009 0.000 0.217 256 A C 2.469 180.116 177.584 0.105 0.000 1.186 256 A CA 2.194 54.350 52.037 0.198 0.000 0.624 256 A CB -1.300 17.884 19.000 0.307 0.000 0.822 256 A HN 0.609 nan 8.150 nan 0.000 0.444 257 A N -1.327 121.592 122.820 0.165 0.000 1.877 257 A HA -0.053 4.273 4.320 0.009 0.000 0.216 257 A C 2.057 179.787 177.584 0.243 0.000 1.186 257 A CA 1.706 53.838 52.037 0.158 0.000 0.620 257 A CB -0.772 18.416 19.000 0.313 0.000 0.822 257 A HN 0.619 nan 8.150 nan 0.000 0.443 258 F N 0.868 120.873 119.950 0.090 0.000 2.095 258 F HA -0.220 4.313 4.527 0.009 0.000 0.298 258 F C 2.598 178.415 175.800 0.027 0.000 1.104 258 F CA 2.215 60.257 58.000 0.070 0.000 1.232 258 F CB -0.530 38.514 39.000 0.073 0.000 0.987 258 F HN 0.342 nan 8.300 nan 0.000 0.475 259 Q N -0.676 119.077 119.800 -0.079 0.000 2.124 259 Q HA -0.255 4.090 4.340 0.009 0.000 0.202 259 Q C 2.058 177.822 176.000 -0.393 0.000 0.977 259 Q CA 1.782 57.343 55.803 -0.404 0.000 0.850 259 Q CB -0.314 27.855 28.738 -0.949 0.000 0.901 259 Q HN 0.423 nan 8.270 nan 0.000 0.429 260 E N 0.729 120.847 120.200 -0.136 0.000 2.152 260 E HA -0.087 4.268 4.350 0.009 0.000 0.192 260 E C 1.744 178.426 176.600 0.137 0.000 0.983 260 E CA 1.057 57.513 56.400 0.093 0.000 0.818 260 E CB -0.112 29.605 29.700 0.028 0.000 0.758 260 E HN 0.320 nan 8.360 nan 0.000 0.467 261 A N 0.473 123.382 122.820 0.148 0.000 1.933 261 A HA -0.119 4.207 4.320 0.009 0.000 0.218 261 A C 2.187 179.776 177.584 0.008 0.000 1.175 261 A CA 1.261 53.377 52.037 0.133 0.000 0.628 261 A CB -0.658 18.397 19.000 0.091 0.000 0.814 261 A HN 0.350 nan 8.150 nan 0.000 0.444 262 L N -1.329 119.794 121.223 -0.166 0.000 2.201 262 L HA -0.104 4.241 4.340 0.009 0.000 0.212 262 L C 2.737 179.564 176.870 -0.071 0.000 1.105 262 L CA 1.227 55.947 54.840 -0.199 0.000 0.775 262 L CB -0.375 41.480 42.059 -0.341 0.000 0.913 262 L HN 0.432 nan 8.230 nan 0.000 0.440 263 R N 0.370 120.905 120.500 0.058 0.000 2.073 263 R HA -0.107 4.239 4.340 0.009 0.000 0.229 263 R C 2.201 178.410 176.300 -0.151 0.000 1.120 263 R CA 1.206 57.341 56.100 0.058 0.000 0.967 263 R CB 0.008 30.267 30.300 -0.069 0.000 0.862 263 R HN 0.312 nan 8.270 nan 0.000 0.436 264 L N -1.194 119.925 121.223 -0.174 0.000 2.202 264 L HA -0.012 4.333 4.340 0.009 0.000 0.205 264 L C 0.370 176.825 176.870 -0.692 0.000 1.083 264 L CA 0.715 55.298 54.840 -0.427 0.000 0.790 264 L CB 0.279 42.141 42.059 -0.328 0.000 0.942 264 L HN 0.147 nan 8.230 nan 0.000 0.452 265 Y N -0.333 119.831 120.300 -0.227 0.000 2.480 265 Y HA 0.273 4.828 4.550 0.008 0.000 0.356 265 Y C -2.214 173.563 175.900 -0.206 0.000 0.922 265 Y CA -2.774 55.107 58.100 -0.365 0.000 1.146 265 Y CB 0.005 37.906 38.460 -0.932 0.000 1.185 265 Y HN -0.066 nan 8.280 nan 0.000 0.624 266 P HA 0.031 nan 4.420 nan 0.000 0.261 266 P C -2.311 174.998 177.300 0.015 0.000 1.203 266 P CA -0.940 62.101 63.100 -0.098 0.000 0.767 266 P CB 1.585 33.192 31.700 -0.155 0.000 0.785 267 P HA -0.128 nan 4.420 nan 0.000 0.216 267 P C 0.552 177.945 177.300 0.155 0.000 1.150 267 P CA 1.651 64.826 63.100 0.125 0.000 0.837 267 P CB -0.032 31.714 31.700 0.077 0.000 0.786 268 A N 0.447 123.276 122.820 0.015 0.000 2.650 268 A HA 0.167 4.493 4.320 0.009 0.000 0.320 268 A C 0.662 178.216 177.584 -0.050 0.000 1.466 268 A CA -0.739 51.260 52.037 -0.064 0.000 1.099 268 A CB -0.891 18.046 19.000 -0.105 0.000 1.136 268 A HN 0.333 nan 8.150 nan 0.000 0.532 269 W N 2.364 123.612 121.300 -0.087 0.000 3.211 269 W HA 0.407 5.069 4.660 0.003 0.000 0.292 269 W C -0.118 176.378 176.519 -0.038 0.000 1.268 269 W CA -0.209 57.087 57.345 -0.082 0.000 1.702 269 W CB -0.403 28.984 29.460 -0.122 0.000 1.092 269 W HN 0.445 nan 8.180 nan 0.000 0.643 270 I N 1.503 121.832 120.570 -0.402 0.000 2.619 270 I HA 0.487 4.662 4.170 0.009 0.000 0.292 270 I C -1.834 174.095 176.117 -0.313 0.000 1.100 270 I CA -1.081 60.025 61.300 -0.324 0.000 1.043 270 I CB 1.941 39.568 38.000 -0.622 0.000 1.239 270 I HN -0.265 nan 8.210 nan 0.000 0.420 271 L N 6.052 127.203 121.223 -0.120 0.000 2.362 271 L HA 0.710 5.056 4.340 0.009 0.000 0.271 271 L C -0.206 176.604 176.870 -0.099 0.000 1.002 271 L CA -0.215 54.574 54.840 -0.085 0.000 0.818 271 L CB 2.259 44.367 42.059 0.082 0.000 1.298 271 L HN 0.702 nan 8.230 nan 0.000 0.420 272 T N -0.445 114.022 114.554 -0.144 0.000 2.906 272 T HA 0.844 5.199 4.350 0.009 0.000 0.295 272 T C -0.495 174.182 174.700 -0.039 0.000 1.061 272 T CA -1.054 60.960 62.100 -0.145 0.000 1.000 272 T CB 2.278 70.932 68.868 -0.357 0.000 1.103 272 T HN 0.323 nan 8.240 nan 0.000 0.486 273 R N 0.604 121.061 120.500 -0.071 0.000 2.725 273 R HA 0.620 4.965 4.340 0.009 0.000 0.277 273 R C -1.097 175.136 176.300 -0.113 0.000 0.987 273 R CA -0.926 55.113 56.100 -0.101 0.000 0.901 273 R CB 2.479 32.716 30.300 -0.104 0.000 1.207 273 R HN 0.713 nan 8.270 nan 0.000 0.463 274 R N 1.344 121.742 120.500 -0.170 0.000 2.460 274 R HA 0.439 4.785 4.340 0.009 0.000 0.303 274 R C -0.912 175.296 176.300 -0.153 0.000 0.968 274 R CA -0.678 55.337 56.100 -0.141 0.000 0.889 274 R CB 0.703 30.897 30.300 -0.176 0.000 1.123 274 R HN 0.333 nan 8.270 nan 0.000 0.455 275 L N 3.223 124.398 121.223 -0.080 0.000 2.292 275 L HA 0.327 4.673 4.340 0.009 0.000 0.284 275 L C 0.968 177.804 176.870 -0.057 0.000 1.065 275 L CA 0.610 55.409 54.840 -0.067 0.000 0.806 275 L CB 1.557 43.602 42.059 -0.024 0.000 1.175 275 L HN 0.819 nan 8.230 nan 0.000 0.431 276 E N 2.542 122.701 120.200 -0.069 0.000 2.447 276 E HA 0.128 4.484 4.350 0.009 0.000 0.204 276 E C 0.035 176.623 176.600 -0.020 0.000 0.977 276 E CA 0.068 56.442 56.400 -0.043 0.000 0.950 276 E CB 0.673 30.340 29.700 -0.057 0.000 0.975 276 E HN 0.543 nan 8.360 nan 0.000 0.496 277 R N -0.025 120.460 120.500 -0.025 0.000 2.869 277 R HA 0.499 4.845 4.340 0.009 0.000 0.263 277 R C -3.096 173.193 176.300 -0.019 0.000 1.066 277 R CA -2.148 53.942 56.100 -0.016 0.000 0.960 277 R CB 0.078 30.369 30.300 -0.014 0.000 1.221 277 R HN -0.290 nan 8.270 nan 0.000 0.474 278 P HA 0.083 nan 4.420 nan 0.000 0.269 278 P C -0.852 176.432 177.300 -0.026 0.000 1.217 278 P CA -0.217 62.870 63.100 -0.022 0.000 0.783 278 P CB 0.448 32.133 31.700 -0.024 0.000 0.898 279 L N 2.429 123.635 121.223 -0.029 0.000 2.528 279 L HA 0.379 4.724 4.340 0.009 0.000 0.267 279 L C -0.983 175.866 176.870 -0.035 0.000 0.961 279 L CA -0.942 53.879 54.840 -0.032 0.000 0.866 279 L CB 1.046 43.085 42.059 -0.033 0.000 1.248 279 L HN 0.247 nan 8.230 nan 0.000 0.404 280 L N 3.505 124.707 121.223 -0.035 0.000 2.259 280 L HA 0.532 4.877 4.340 0.009 0.000 0.288 280 L C -1.181 175.667 176.870 -0.036 0.000 1.051 280 L CA -0.461 54.357 54.840 -0.037 0.000 0.824 280 L CB 0.950 42.989 42.059 -0.033 0.000 1.206 280 L HN 0.560 nan 8.230 nan 0.000 0.429 281 L N 5.910 127.111 121.223 -0.037 0.000 2.371 281 L HA 0.525 4.871 4.340 0.009 0.000 0.262 281 L C 1.158 178.008 176.870 -0.033 0.000 1.054 281 L CA -0.066 54.752 54.840 -0.036 0.000 0.924 281 L CB 0.721 42.759 42.059 -0.036 0.000 1.295 281 L HN 1.115 nan 8.230 nan 0.000 0.441 282 G N 1.653 110.435 108.800 -0.030 0.000 2.596 282 G HA2 -0.470 3.495 3.960 0.009 0.000 0.304 282 G HA3 -0.470 3.495 3.960 0.009 0.000 0.304 282 G C 0.733 175.616 174.900 -0.028 0.000 1.189 282 G CA 0.723 45.807 45.100 -0.026 0.000 0.986 282 G HN 0.554 nan 8.290 nan 0.000 0.548 283 E N 0.453 120.637 120.200 -0.027 0.000 2.435 283 E HA 0.241 4.597 4.350 0.009 0.000 0.195 283 E C 0.933 177.506 176.600 -0.045 0.000 1.029 283 E CA 1.406 57.786 56.400 -0.033 0.000 0.865 283 E CB -0.115 29.569 29.700 -0.027 0.000 0.833 283 E HN 0.583 nan 8.360 nan 0.000 0.510 284 D N 0.424 120.796 120.400 -0.046 0.000 2.347 284 D HA 0.224 4.870 4.640 0.009 0.000 0.235 284 D C -0.485 175.774 176.300 -0.069 0.000 1.149 284 D CA -0.229 53.733 54.000 -0.063 0.000 0.850 284 D CB 1.117 41.886 40.800 -0.051 0.000 1.061 284 D HN 0.221 nan 8.370 nan 0.000 0.487 285 R N 3.463 123.908 120.500 -0.091 0.000 2.202 285 R HA 0.355 4.700 4.340 0.009 0.000 0.334 285 R C -0.654 175.578 176.300 -0.114 0.000 1.036 285 R CA -0.492 55.555 56.100 -0.089 0.000 0.878 285 R CB 0.409 30.657 30.300 -0.088 0.000 1.067 285 R HN 0.369 nan 8.270 nan 0.000 0.457 286 L N 7.518 128.698 121.223 -0.070 0.000 2.287 286 L HA 0.480 4.826 4.340 0.009 0.000 0.287 286 L C -2.075 174.781 176.870 -0.024 0.000 1.022 286 L CA -2.409 52.406 54.840 -0.041 0.000 0.814 286 L CB 1.698 43.764 42.059 0.011 0.000 1.217 286 L HN 0.483 nan 8.230 nan 0.000 0.420 287 P HA 0.219 nan 4.420 nan 0.000 0.274 287 P C -2.600 174.713 177.300 0.022 0.000 1.246 287 P CA -1.813 61.285 63.100 -0.004 0.000 0.795 287 P CB -0.274 31.426 31.700 0.000 0.000 1.006 288 P HA 0.024 nan 4.420 nan 0.000 0.268 288 P C 0.797 178.118 177.300 0.035 0.000 1.205 288 P CA 0.928 64.036 63.100 0.014 0.000 0.771 288 P CB 0.126 31.829 31.700 0.006 0.000 0.858 289 G N 1.535 110.358 108.800 0.038 0.000 2.213 289 G HA2 -0.198 3.767 3.960 0.009 0.000 0.236 289 G HA3 -0.198 3.767 3.960 0.009 0.000 0.236 289 G C 0.329 175.286 174.900 0.095 0.000 0.991 289 G CA 0.038 45.180 45.100 0.070 0.000 0.629 289 G HN 0.648 nan 8.290 nan 0.000 0.517 290 T N 2.359 116.966 114.554 0.089 0.000 2.928 290 T HA 0.454 4.809 4.350 0.009 0.000 0.305 290 T C 0.476 175.212 174.700 0.060 0.000 1.035 290 T CA 1.119 63.282 62.100 0.106 0.000 1.145 290 T CB 1.002 69.961 68.868 0.152 0.000 0.963 290 T HN 0.221 nan 8.240 nan 0.000 0.545 291 T N 5.144 119.731 114.554 0.055 0.000 2.733 291 T HA 0.371 4.726 4.350 0.009 0.000 0.294 291 T C -0.070 174.646 174.700 0.027 0.000 0.956 291 T CA -0.684 61.441 62.100 0.041 0.000 0.987 291 T CB 0.229 69.160 68.868 0.104 0.000 0.920 291 T HN 0.166 nan 8.240 nan 0.000 0.470 292 L N 4.386 125.609 121.223 0.001 0.000 2.331 292 L HA 0.405 4.750 4.340 0.009 0.000 0.278 292 L C -0.015 176.854 176.870 -0.002 0.000 1.106 292 L CA -0.082 54.752 54.840 -0.009 0.000 0.824 292 L CB 0.978 43.018 42.059 -0.031 0.000 1.142 292 L HN 0.353 nan 8.230 nan 0.000 0.443 293 V N 5.377 125.295 119.914 0.006 0.000 2.378 293 V HA 0.486 4.611 4.120 0.009 0.000 0.288 293 V C 0.019 176.131 176.094 0.030 0.000 1.016 293 V CA -0.559 61.764 62.300 0.039 0.000 0.840 293 V CB 1.449 33.333 31.823 0.102 0.000 0.994 293 V HN 0.501 nan 8.190 nan 0.000 0.431 294 L N 3.248 124.523 121.223 0.088 0.000 2.330 294 L HA 0.739 5.084 4.340 0.009 0.000 0.271 294 L C 0.083 177.141 176.870 0.312 0.000 1.013 294 L CA -0.427 54.538 54.840 0.209 0.000 0.816 294 L CB 2.114 44.318 42.059 0.241 0.000 1.287 294 L HN 0.588 nan 8.230 nan 0.000 0.435 295 S N 1.342 117.325 115.700 0.472 0.000 2.652 295 S HA 0.398 4.873 4.470 0.009 0.000 0.252 295 S C -2.063 172.697 174.600 0.267 0.000 1.219 295 S CA -1.284 57.147 58.200 0.385 0.000 1.151 295 S CB 1.189 64.668 63.200 0.466 0.000 1.080 295 S HN 0.320 nan 8.310 nan 0.000 0.481 296 P HA -0.176 nan 4.420 nan 0.000 0.217 296 P C 0.975 178.200 177.300 -0.125 0.000 1.148 296 P CA 1.027 63.825 63.100 -0.503 0.000 0.834 296 P CB -0.069 31.166 31.700 -0.774 0.000 0.783 297 Y N 0.241 120.481 120.300 -0.101 0.000 2.145 297 Y HA -0.214 4.345 4.550 0.014 0.000 0.286 297 Y C 2.119 177.946 175.900 -0.121 0.000 1.145 297 Y CA 1.514 59.535 58.100 -0.132 0.000 1.148 297 Y CB -0.905 37.490 38.460 -0.107 0.000 0.981 297 Y HN -0.260 nan 8.280 nan 0.000 0.507 298 V N -0.894 119.033 119.914 0.022 0.000 2.255 298 V HA -0.272 3.854 4.120 0.009 0.000 0.243 298 V C 2.285 178.335 176.094 -0.073 0.000 1.038 298 V CA 2.394 64.606 62.300 -0.147 0.000 1.008 298 V CB -1.131 30.509 31.823 -0.306 0.000 0.645 298 V HN 0.418 nan 8.190 nan 0.000 0.449 299 T N -0.366 114.279 114.554 0.151 0.000 2.720 299 T HA -0.270 4.086 4.350 0.009 0.000 0.268 299 T C 1.886 176.764 174.700 0.297 0.000 1.037 299 T CA 1.729 64.032 62.100 0.338 0.000 1.144 299 T CB -0.263 68.931 68.868 0.544 0.000 0.864 299 T HN 0.523 nan 8.240 nan 0.000 0.444 300 Q N -0.126 119.778 119.800 0.174 0.000 2.311 300 Q HA 0.111 4.457 4.340 0.009 0.000 0.203 300 Q C 2.459 178.515 176.000 0.094 0.000 0.954 300 Q CA 0.624 56.572 55.803 0.242 0.000 0.885 300 Q CB 0.043 28.835 28.738 0.091 0.000 0.963 300 Q HN 0.387 nan 8.270 nan 0.000 0.471 301 R N -0.094 120.338 120.500 -0.113 0.000 2.127 301 R HA 0.055 4.400 4.340 0.009 0.000 0.217 301 R C 1.817 178.038 176.300 -0.132 0.000 1.074 301 R CA 0.676 56.649 56.100 -0.213 0.000 0.991 301 R CB 0.211 30.246 30.300 -0.442 0.000 0.895 301 R HN 0.200 nan 8.270 nan 0.000 0.450 302 L N -0.721 120.426 121.223 -0.127 0.000 2.446 302 L HA 0.032 4.378 4.340 0.009 0.000 0.219 302 L C 0.934 177.570 176.870 -0.390 0.000 1.116 302 L CA 0.555 55.226 54.840 -0.282 0.000 0.844 302 L CB 0.113 41.937 42.059 -0.391 0.000 0.970 302 L HN 0.259 nan 8.230 nan 0.000 0.457 303 H N -1.378 117.745 119.070 0.088 0.000 2.567 303 H HA 0.320 4.881 4.556 0.009 0.000 0.267 303 H C -0.793 174.473 175.328 -0.103 0.000 1.148 303 H CA -0.239 55.821 56.048 0.021 0.000 1.031 303 H CB 0.503 30.284 29.762 0.033 0.000 1.691 303 H HN 0.041 nan 8.280 nan 0.000 0.588 304 F N 2.010 121.969 119.950 0.015 0.000 2.522 304 F HA 0.386 4.919 4.527 0.009 0.000 0.324 304 F C -1.851 173.906 175.800 -0.072 0.000 1.077 304 F CA -2.552 55.423 58.000 -0.042 0.000 0.944 304 F CB 1.356 40.305 39.000 -0.084 0.000 1.175 304 F HN -0.076 nan 8.300 nan 0.000 0.468 305 P HA 0.038 nan 4.420 nan 0.000 0.267 305 P C -0.514 176.793 177.300 0.012 0.000 1.205 305 P CA 0.221 63.328 63.100 0.010 0.000 0.765 305 P CB 0.448 32.138 31.700 -0.015 0.000 0.828 306 D N 2.073 122.461 120.400 -0.019 0.000 2.735 306 D HA -0.150 4.496 4.640 0.009 0.000 0.235 306 D C 1.292 177.564 176.300 -0.046 0.000 1.175 306 D CA 1.322 55.299 54.000 -0.038 0.000 0.683 306 D CB -1.249 39.527 40.800 -0.040 0.000 1.008 306 D HN 0.564 nan 8.370 nan 0.000 0.416 307 G N 0.479 109.252 108.800 -0.045 0.000 2.511 307 G HA2 -0.145 3.820 3.960 0.009 0.000 0.217 307 G HA3 -0.145 3.820 3.960 0.009 0.000 0.217 307 G C 1.045 175.863 174.900 -0.138 0.000 1.133 307 G CA 0.328 45.399 45.100 -0.048 0.000 0.792 307 G HN 0.501 nan 8.290 nan 0.000 0.539 308 E N 0.145 120.256 120.200 -0.148 0.000 2.463 308 E HA 0.369 4.725 4.350 0.009 0.000 0.193 308 E C 0.809 177.326 176.600 -0.138 0.000 1.041 308 E CA -0.298 55.989 56.400 -0.188 0.000 0.879 308 E CB 0.682 30.261 29.700 -0.201 0.000 0.997 308 E HN 0.351 nan 8.360 nan 0.000 0.478 309 A N 1.015 123.779 122.820 -0.094 0.000 2.306 309 A HA 0.416 4.742 4.320 0.009 0.000 0.330 309 A C -0.854 176.735 177.584 0.007 0.000 1.146 309 A CA -0.547 51.467 52.037 -0.038 0.000 0.827 309 A CB 0.456 19.434 19.000 -0.038 0.000 1.178 309 A HN 0.186 nan 8.150 nan 0.000 0.490 310 F N 1.906 121.799 119.950 -0.094 0.000 2.405 310 F HA 0.440 4.973 4.527 0.010 0.000 0.358 310 F C 0.537 176.251 175.800 -0.144 0.000 1.151 310 F CA -0.392 57.550 58.000 -0.097 0.000 1.161 310 F CB 0.144 39.125 39.000 -0.032 0.000 1.245 310 F HN 0.498 nan 8.300 nan 0.000 0.545 311 R N 7.511 127.688 120.500 -0.538 0.000 2.629 311 R HA 0.203 4.548 4.340 0.009 0.000 0.277 311 R C -2.068 173.836 176.300 -0.661 0.000 1.637 311 R CA -1.454 54.334 56.100 -0.520 0.000 1.663 311 R CB 0.600 30.739 30.300 -0.268 0.000 1.228 311 R HN 0.341 nan 8.270 nan 0.000 0.632 312 P HA -0.224 nan 4.420 nan 0.000 0.222 312 P C 0.890 177.848 177.300 -0.571 0.000 1.147 312 P CA 1.177 63.653 63.100 -1.041 0.000 0.790 312 P CB 0.343 30.918 31.700 -1.874 0.000 0.780 313 E N 1.885 121.873 120.200 -0.354 0.000 2.265 313 E HA -0.211 4.144 4.350 0.009 0.000 0.196 313 E C 1.927 178.507 176.600 -0.033 0.000 0.996 313 E CA 0.857 57.296 56.400 0.065 0.000 0.832 313 E CB -0.890 28.896 29.700 0.145 0.000 0.756 313 E HN 0.409 nan 8.360 nan 0.000 0.491 314 R N 0.254 120.641 120.500 -0.189 0.000 2.193 314 R HA -0.049 4.297 4.340 0.009 0.000 0.229 314 R C 1.383 177.477 176.300 -0.342 0.000 1.110 314 R CA 1.255 57.186 56.100 -0.282 0.000 0.988 314 R CB -0.668 29.392 30.300 -0.400 0.000 0.871 314 R HN 0.124 nan 8.270 nan 0.000 0.458 315 F N 0.730 120.634 119.950 -0.076 0.000 2.732 315 F HA 0.272 4.805 4.527 0.009 0.000 0.303 315 F C 1.446 177.274 175.800 0.046 0.000 1.110 315 F CA -0.183 57.799 58.000 -0.029 0.000 1.355 315 F CB 0.435 39.399 39.000 -0.060 0.000 1.081 315 F HN -0.097 nan 8.300 nan 0.000 0.565 316 L N -0.138 121.205 121.223 0.200 0.000 2.341 316 L HA 0.004 4.349 4.340 0.009 0.000 0.214 316 L C 2.538 179.475 176.870 0.112 0.000 1.115 316 L CA 1.211 56.155 54.840 0.173 0.000 0.820 316 L CB -0.687 41.482 42.059 0.184 0.000 0.944 316 L HN 0.257 nan 8.230 nan 0.000 0.452 317 E N 1.153 121.394 120.200 0.067 0.000 2.162 317 E HA -0.020 4.335 4.350 0.009 0.000 0.193 317 E C 0.854 177.477 176.600 0.039 0.000 0.953 317 E CA 0.453 56.874 56.400 0.035 0.000 0.849 317 E CB 0.042 29.741 29.700 -0.002 0.000 0.810 317 E HN 0.633 nan 8.360 nan 0.000 0.470 318 E N 0.176 120.392 120.200 0.027 0.000 2.221 318 E HA 0.457 4.813 4.350 0.009 0.000 0.268 318 E C -0.142 176.586 176.600 0.213 0.000 0.933 318 E CA -1.009 55.426 56.400 0.059 0.000 0.809 318 E CB 1.522 31.198 29.700 -0.040 0.000 1.190 318 E HN 0.350 nan 8.360 nan 0.000 0.406 319 R N 0.431 121.065 120.500 0.224 0.000 2.596 319 R HA 0.508 4.854 4.340 0.009 0.000 0.267 319 R C 0.483 177.023 176.300 0.400 0.000 1.026 319 R CA -0.547 55.724 56.100 0.285 0.000 1.087 319 R CB 0.842 31.257 30.300 0.192 0.000 1.132 319 R HN 0.620 nan 8.270 nan 0.000 0.531 320 G N 0.868 109.899 108.800 0.386 0.000 3.440 320 G HA2 0.013 3.979 3.960 0.009 0.000 0.263 320 G HA3 0.013 3.979 3.960 0.009 0.000 0.263 320 G C -0.135 175.070 174.900 0.509 0.000 1.236 320 G CA -0.423 44.982 45.100 0.508 0.000 0.927 320 G HN 0.585 nan 8.290 nan 0.000 0.530 321 T N 2.881 117.647 114.554 0.354 0.000 2.923 321 T HA 0.136 4.492 4.350 0.009 0.000 0.304 321 T C -2.064 172.830 174.700 0.324 0.000 1.044 321 T CA -0.169 62.095 62.100 0.273 0.000 1.141 321 T CB 0.912 69.900 68.868 0.199 0.000 1.023 321 T HN 0.059 nan 8.240 nan 0.000 0.533 322 P HA 0.203 nan 4.420 nan 0.000 0.262 322 P C -0.528 176.898 177.300 0.210 0.000 1.182 322 P CA 0.008 63.250 63.100 0.236 0.000 0.761 322 P CB 0.461 32.266 31.700 0.175 0.000 0.795 323 S N 0.814 116.657 115.700 0.238 0.000 2.611 323 S HA 0.531 5.007 4.470 0.009 0.000 0.268 323 S C 1.134 175.823 174.600 0.147 0.000 1.156 323 S CA -0.233 58.070 58.200 0.172 0.000 0.817 323 S CB 0.915 64.230 63.200 0.192 0.000 1.122 323 S HN 0.376 nan 8.310 nan 0.000 0.466 324 G N 0.917 109.733 108.800 0.027 0.000 2.470 324 G HA2 -0.091 3.874 3.960 0.009 0.000 0.220 324 G HA3 -0.091 3.874 3.960 0.009 0.000 0.220 324 G C 1.330 176.314 174.900 0.140 0.000 1.121 324 G CA 0.719 45.774 45.100 -0.075 0.000 0.766 324 G HN 0.870 nan 8.290 nan 0.000 0.553 325 R N -1.736 118.910 120.500 0.243 0.000 2.254 325 R HA 0.161 4.506 4.340 0.009 0.000 0.195 325 R C -0.203 176.519 176.300 0.704 0.000 0.957 325 R CA 0.030 56.341 56.100 0.353 0.000 1.024 325 R CB 0.093 30.425 30.300 0.053 0.000 0.952 325 R HN 0.304 nan 8.270 nan 0.000 0.484 326 Y N 1.311 121.941 120.300 0.550 0.000 2.294 326 Y HA 0.241 4.797 4.550 0.009 0.000 0.329 326 Y C -1.653 174.535 175.900 0.479 0.000 1.135 326 Y CA -2.410 55.999 58.100 0.515 0.000 1.213 326 Y CB 0.924 39.742 38.460 0.598 0.000 1.141 326 Y HN 0.141 nan 8.280 nan 0.000 0.446 327 F N 6.098 125.951 119.950 -0.160 0.000 2.541 327 F HA 0.501 5.034 4.527 0.009 0.000 0.368 327 F C -2.361 173.322 175.800 -0.194 0.000 1.530 327 F CA -1.780 56.140 58.000 -0.133 0.000 1.102 327 F CB 0.607 39.614 39.000 0.012 0.000 1.382 327 F HN 0.069 nan 8.300 nan 0.000 0.541 328 P HA -0.076 nan 4.420 nan 0.000 0.226 328 P C 0.581 177.583 177.300 -0.496 0.000 1.153 328 P CA 1.209 63.965 63.100 -0.573 0.000 0.777 328 P CB -0.048 31.224 31.700 -0.714 0.000 0.794 329 F N -0.695 119.201 119.950 -0.091 0.000 2.682 329 F HA 0.416 4.949 4.527 0.011 0.000 0.308 329 F C 1.719 177.549 175.800 0.049 0.000 1.093 329 F CA 0.498 58.497 58.000 -0.002 0.000 1.244 329 F CB 0.221 39.230 39.000 0.015 0.000 1.052 329 F HN 0.048 nan 8.300 nan 0.000 0.573 330 G N 1.307 110.248 108.800 0.235 0.000 2.568 330 G HA2 -0.059 3.906 3.960 0.009 0.000 0.222 330 G HA3 -0.059 3.906 3.960 0.009 0.000 0.222 330 G C -1.570 173.466 174.900 0.227 0.000 1.321 330 G CA -0.377 44.876 45.100 0.255 0.000 0.893 330 G HN 0.363 nan 8.290 nan 0.000 0.569 331 L N -0.485 120.819 121.223 0.134 0.000 2.787 331 L HA 0.716 5.062 4.340 0.009 0.000 0.260 331 L C 0.560 177.454 176.870 0.040 0.000 0.921 331 L CA 1.868 56.759 54.840 0.085 0.000 0.984 331 L CB 1.358 43.436 42.059 0.032 0.000 1.519 331 L HN 3.044 nan 8.230 nan 0.000 0.452 332 G N 3.752 112.580 108.800 0.047 0.000 2.466 332 G HA2 -0.184 3.781 3.960 0.009 0.000 0.218 332 G HA3 -0.184 3.781 3.960 0.009 0.000 0.218 332 G C 0.144 175.077 174.900 0.056 0.000 1.237 332 G CA 0.419 45.539 45.100 0.033 0.000 0.954 332 G HN 1.304 nan 8.290 nan 0.000 0.580 333 Q N -0.337 119.490 119.800 0.045 0.000 2.389 333 Q HA 0.173 4.519 4.340 0.009 0.000 0.204 333 Q C 1.700 177.789 176.000 0.147 0.000 0.944 333 Q CA 0.942 56.825 55.803 0.133 0.000 0.908 333 Q CB 0.146 28.990 28.738 0.177 0.000 1.002 333 Q HN 0.385 nan 8.270 nan 0.000 0.493 334 R N 0.992 121.486 120.500 -0.010 0.000 2.426 334 R HA 0.240 4.585 4.340 0.009 0.000 0.263 334 R C 0.039 176.371 176.300 0.053 0.000 0.961 334 R CA -0.424 55.650 56.100 -0.044 0.000 1.086 334 R CB -0.565 29.593 30.300 -0.236 0.000 1.186 334 R HN 0.250 nan 8.270 nan 0.000 0.537 335 L N 1.337 122.615 121.223 0.092 0.000 2.559 335 L HA -0.062 4.283 4.340 0.009 0.000 0.282 335 L C 0.411 177.349 176.870 0.114 0.000 1.232 335 L CA 0.074 54.982 54.840 0.113 0.000 0.885 335 L CB 0.310 42.431 42.059 0.104 0.000 1.131 335 L HN 0.279 nan 8.230 nan 0.000 0.498 336 C N 5.798 125.186 119.300 0.146 0.000 2.334 336 C HA -0.084 4.382 4.460 0.009 0.000 0.395 336 C C 1.829 176.839 174.990 0.034 0.000 1.507 336 C CA 0.190 59.285 59.018 0.130 0.000 1.494 336 C CB -1.094 26.826 27.740 0.301 0.000 2.509 336 C HN 0.954 nan 8.230 nan 0.000 0.599 337 L N 5.883 127.076 121.223 -0.051 0.000 2.156 337 L HA 0.221 4.566 4.340 0.009 0.000 0.208 337 L C 2.180 178.908 176.870 -0.236 0.000 1.095 337 L CA 2.298 57.033 54.840 -0.175 0.000 0.770 337 L CB -0.615 41.234 42.059 -0.350 0.000 0.914 337 L HN 0.899 nan 8.230 nan 0.000 0.439 338 G N -1.320 107.358 108.800 -0.203 0.000 3.314 338 G HA2 -0.038 3.927 3.960 0.009 0.000 0.238 338 G HA3 -0.038 3.927 3.960 0.009 0.000 0.238 338 G C 1.481 176.470 174.900 0.149 0.000 1.184 338 G CA 0.120 45.226 45.100 0.009 0.000 0.806 338 G HN 0.334 nan 8.290 nan 0.000 0.536 339 R N 0.498 120.968 120.500 -0.050 0.000 2.080 339 R HA -0.110 4.236 4.340 0.009 0.000 0.236 339 R C 1.683 177.846 176.300 -0.229 0.000 1.137 339 R CA 1.962 57.778 56.100 -0.472 0.000 0.943 339 R CB -0.119 29.781 30.300 -0.666 0.000 0.846 339 R HN 0.170 nan 8.270 nan 0.000 0.431 340 D N -0.168 120.222 120.400 -0.018 0.000 2.144 340 D HA -0.181 4.464 4.640 0.009 0.000 0.199 340 D C 1.613 178.013 176.300 0.166 0.000 0.984 340 D CA 1.038 55.075 54.000 0.060 0.000 0.834 340 D CB -0.362 40.488 40.800 0.083 0.000 0.955 340 D HN 0.208 nan 8.370 nan 0.000 0.465 341 F N 1.800 121.834 119.950 0.139 0.000 2.069 341 F HA -0.220 4.312 4.527 0.009 0.000 0.298 341 F C 2.271 178.163 175.800 0.153 0.000 1.113 341 F CA 1.810 59.927 58.000 0.196 0.000 1.214 341 F CB -0.259 38.934 39.000 0.322 0.000 0.978 341 F HN -0.051 nan 8.300 nan 0.000 0.474 342 A N 0.330 123.436 122.820 0.477 0.000 1.902 342 A HA -0.131 4.195 4.320 0.009 0.000 0.217 342 A C 2.178 179.935 177.584 0.289 0.000 1.181 342 A CA 1.711 54.009 52.037 0.435 0.000 0.623 342 A CB -1.205 18.172 19.000 0.629 0.000 0.818 342 A HN 0.483 nan 8.150 nan 0.000 0.443 343 L N -0.811 120.548 121.223 0.227 0.000 2.551 343 L HA -0.039 4.306 4.340 0.009 0.000 0.228 343 L C 2.266 179.157 176.870 0.034 0.000 1.153 343 L CA 0.256 55.213 54.840 0.194 0.000 0.851 343 L CB -0.287 41.858 42.059 0.144 0.000 0.959 343 L HN 0.464 nan 8.230 nan 0.000 0.451 344 L N -0.391 120.815 121.223 -0.029 0.000 2.130 344 L HA -0.045 4.300 4.340 0.009 0.000 0.200 344 L C 2.374 179.143 176.870 -0.169 0.000 1.075 344 L CA 1.487 56.268 54.840 -0.099 0.000 0.768 344 L CB -0.325 41.658 42.059 -0.127 0.000 0.933 344 L HN 0.140 nan 8.230 nan 0.000 0.451 345 E N -0.448 119.623 120.200 -0.214 0.000 2.023 345 E HA -0.211 4.144 4.350 0.009 0.000 0.196 345 E C 2.025 178.462 176.600 -0.270 0.000 1.003 345 E CA 1.444 57.713 56.400 -0.219 0.000 0.809 345 E CB -0.598 29.006 29.700 -0.160 0.000 0.755 345 E HN 0.604 nan 8.360 nan 0.000 0.449 346 G N 1.179 109.680 108.800 -0.498 0.000 2.553 346 G HA2 -0.248 3.718 3.960 0.009 0.000 0.218 346 G HA3 -0.248 3.718 3.960 0.009 0.000 0.218 346 G C -0.823 173.623 174.900 -0.757 0.000 1.195 346 G CA 1.275 45.712 45.100 -1.104 0.000 0.779 346 G HN 0.367 nan 8.290 nan 0.000 0.577 347 P HA 0.005 nan 4.420 nan 0.000 0.218 347 P C 1.916 179.176 177.300 -0.068 0.000 1.149 347 P CA 0.606 63.594 63.100 -0.186 0.000 0.817 347 P CB -0.036 31.622 31.700 -0.070 0.000 0.785 348 I N -1.097 119.421 120.570 -0.087 0.000 2.163 348 I HA -0.225 3.950 4.170 0.009 0.000 0.243 348 I C 2.132 178.281 176.117 0.052 0.000 1.085 348 I CA 1.458 62.746 61.300 -0.019 0.000 1.347 348 I CB -0.691 37.280 38.000 -0.049 0.000 1.044 348 I HN -0.167 nan 8.210 nan 0.000 0.408 349 V N 1.032 120.966 119.914 0.034 0.000 2.343 349 V HA -0.265 3.860 4.120 0.009 0.000 0.247 349 V C 2.348 178.606 176.094 0.272 0.000 1.051 349 V CA 1.621 64.033 62.300 0.187 0.000 1.036 349 V CB -0.515 31.377 31.823 0.116 0.000 0.654 349 V HN 0.359 nan 8.190 nan 0.000 0.451 350 L N -0.391 120.922 121.223 0.149 0.000 2.017 350 L HA -0.203 4.143 4.340 0.009 0.000 0.208 350 L C 2.718 179.837 176.870 0.416 0.000 1.073 350 L CA 2.007 57.020 54.840 0.288 0.000 0.745 350 L CB -0.651 41.547 42.059 0.232 0.000 0.894 350 L HN 0.233 nan 8.230 nan 0.000 0.432 351 R N 0.322 120.980 120.500 0.264 0.000 2.081 351 R HA -0.168 4.177 4.340 0.009 0.000 0.235 351 R C 2.317 178.726 176.300 0.183 0.000 1.131 351 R CA 1.511 57.745 56.100 0.223 0.000 0.960 351 R CB -0.264 30.119 30.300 0.137 0.000 0.856 351 R HN 0.354 nan 8.270 nan 0.000 0.436 352 A N -0.236 122.695 122.820 0.185 0.000 1.930 352 A HA -0.139 4.187 4.320 0.009 0.000 0.217 352 A C 1.953 179.540 177.584 0.005 0.000 1.175 352 A CA 1.099 53.240 52.037 0.173 0.000 0.627 352 A CB -0.654 18.544 19.000 0.329 0.000 0.815 352 A HN 0.517 nan 8.150 nan 0.000 0.443 353 F N -0.529 119.210 119.950 -0.350 0.000 2.098 353 F HA -0.023 4.511 4.527 0.011 0.000 0.294 353 F C 1.654 177.189 175.800 -0.442 0.000 1.107 353 F CA 1.389 58.864 58.000 -0.876 0.000 1.234 353 F CB -0.287 38.057 39.000 -1.093 0.000 1.002 353 F HN 0.177 nan 8.300 nan 0.000 0.472 354 F N 0.664 120.652 119.950 0.064 0.000 2.699 354 F HA 0.063 4.595 4.527 0.009 0.000 0.298 354 F C 2.206 177.942 175.800 -0.105 0.000 1.154 354 F CA 0.693 58.697 58.000 0.007 0.000 1.457 354 F CB -0.618 38.509 39.000 0.212 0.000 1.106 354 F HN -0.108 nan 8.300 nan 0.000 0.585 355 R N -0.581 119.908 120.500 -0.018 0.000 2.193 355 R HA -0.001 4.345 4.340 0.009 0.000 0.213 355 R C 2.143 178.316 176.300 -0.213 0.000 1.055 355 R CA 0.628 56.688 56.100 -0.066 0.000 0.995 355 R CB -0.024 30.253 30.300 -0.039 0.000 0.893 355 R HN 0.207 nan 8.270 nan 0.000 0.459 356 R N -0.881 119.362 120.500 -0.429 0.000 2.142 356 R HA 0.172 4.518 4.340 0.009 0.000 0.204 356 R C -0.295 175.413 176.300 -0.987 0.000 1.059 356 R CA 0.509 56.149 56.100 -0.767 0.000 1.055 356 R CB 0.512 30.169 30.300 -1.073 0.000 0.976 356 R HN -0.081 nan 8.270 nan 0.000 0.483 357 F N -0.045 119.544 119.950 -0.601 0.000 2.618 357 F HA 0.571 5.104 4.527 0.010 0.000 0.332 357 F C 0.245 175.857 175.800 -0.315 0.000 1.061 357 F CA -1.216 56.428 58.000 -0.595 0.000 0.974 357 F CB 1.331 39.693 39.000 -1.064 0.000 1.310 357 F HN -0.303 nan 8.300 nan 0.000 0.491 358 R N 0.826 121.421 120.500 0.158 0.000 2.888 358 R HA 0.765 5.111 4.340 0.009 0.000 0.266 358 R C -1.635 174.855 176.300 0.316 0.000 1.020 358 R CA -1.093 55.199 56.100 0.319 0.000 0.963 358 R CB 2.435 32.873 30.300 0.229 0.000 1.197 358 R HN 0.585 nan 8.270 nan 0.000 0.481 359 L N 0.935 122.387 121.223 0.380 0.000 2.381 359 L HA 0.390 4.736 4.340 0.009 0.000 0.268 359 L C -0.368 176.604 176.870 0.170 0.000 0.997 359 L CA -0.981 54.020 54.840 0.269 0.000 0.818 359 L CB 2.240 44.490 42.059 0.318 0.000 1.310 359 L HN 0.362 nan 8.230 nan 0.000 0.416 360 D N 2.352 122.805 120.400 0.088 0.000 2.339 360 D HA 0.221 4.866 4.640 0.009 0.000 0.245 360 D C -2.330 173.954 176.300 -0.026 0.000 1.115 360 D CA -1.060 52.957 54.000 0.028 0.000 0.917 360 D CB 0.831 41.636 40.800 0.008 0.000 1.192 360 D HN 0.172 nan 8.370 nan 0.000 0.428 361 P HA 0.052 nan 4.420 nan 0.000 0.264 361 P C -0.463 176.712 177.300 -0.209 0.000 1.193 361 P CA 0.315 63.199 63.100 -0.360 0.000 0.763 361 P CB 0.444 31.837 31.700 -0.510 0.000 0.810 362 L N 5.907 127.064 121.223 -0.110 0.000 2.325 362 L HA 0.488 4.834 4.340 0.009 0.000 0.278 362 L C -1.972 174.937 176.870 0.066 0.000 1.023 362 L CA -2.524 52.306 54.840 -0.018 0.000 0.811 362 L CB 1.529 43.561 42.059 -0.045 0.000 1.249 362 L HN 0.207 nan 8.230 nan 0.000 0.431 363 P HA 0.057 nan 4.420 nan 0.000 0.271 363 P C -0.800 176.559 177.300 0.098 0.000 1.216 363 P CA -0.068 63.120 63.100 0.146 0.000 0.776 363 P CB 0.335 32.095 31.700 0.101 0.000 0.881 364 F N 4.143 124.159 119.950 0.110 0.000 2.494 364 F HA 0.150 4.682 4.527 0.008 0.000 0.369 364 F C -0.718 175.133 175.800 0.085 0.000 1.098 364 F CA -0.926 57.127 58.000 0.088 0.000 1.154 364 F CB -0.327 38.710 39.000 0.062 0.000 1.103 364 F HN 0.254 nan 8.300 nan 0.000 0.549 365 P HA 0.146 nan 4.420 nan 0.000 0.274 365 P C -0.594 176.829 177.300 0.206 0.000 1.256 365 P CA -0.803 62.388 63.100 0.150 0.000 0.795 365 P CB 0.747 32.489 31.700 0.071 0.000 1.038 366 R N 0.237 120.817 120.500 0.133 0.000 2.543 366 R HA 0.275 4.620 4.340 0.009 0.000 0.277 366 R C -0.750 175.635 176.300 0.142 0.000 1.074 366 R CA -0.424 55.739 56.100 0.105 0.000 1.076 366 R CB 0.222 30.550 30.300 0.047 0.000 0.993 366 R HN 0.211 nan 8.270 nan 0.000 0.459 367 V N 6.786 126.758 119.914 0.096 0.000 2.385 367 V HA 0.187 4.312 4.120 0.009 0.000 0.269 367 V C 0.198 176.272 176.094 -0.033 0.000 1.043 367 V CA -0.371 61.980 62.300 0.084 0.000 0.906 367 V CB 0.977 32.756 31.823 -0.073 0.000 0.995 367 V HN 0.619 nan 8.190 nan 0.000 0.467 368 L N 4.800 126.037 121.223 0.022 0.000 2.264 368 L HA 0.564 4.909 4.340 0.009 0.000 0.289 368 L C 0.753 177.537 176.870 -0.143 0.000 1.044 368 L CA -0.426 54.382 54.840 -0.052 0.000 0.807 368 L CB 1.326 43.388 42.059 0.006 0.000 1.192 368 L HN 0.695 nan 8.230 nan 0.000 0.425 369 A N 4.755 127.396 122.820 -0.299 0.000 2.805 369 A HA 0.356 4.682 4.320 0.009 0.000 0.301 369 A C 0.256 177.798 177.584 -0.069 0.000 1.557 369 A CA -0.267 51.446 52.037 -0.539 0.000 1.254 369 A CB -0.121 18.299 19.000 -0.965 0.000 1.114 369 A HN 0.860 nan 8.150 nan 0.000 0.553 370 Q N 0.523 120.389 119.800 0.111 0.000 2.994 370 Q HA 0.308 4.653 4.340 0.009 0.000 0.189 370 Q C 1.487 177.701 176.000 0.356 0.000 1.108 370 Q CA -0.440 55.492 55.803 0.214 0.000 0.683 370 Q CB 0.070 28.879 28.738 0.119 0.000 3.959 370 Q HN 0.357 nan 8.270 nan 0.000 0.357 371 V N 0.037 120.075 119.914 0.208 0.000 2.332 371 V HA -0.166 3.959 4.120 0.009 0.000 0.248 371 V C 1.277 177.490 176.094 0.199 0.000 1.055 371 V CA 1.952 64.341 62.300 0.148 0.000 1.038 371 V CB -1.346 30.529 31.823 0.087 0.000 0.651 371 V HN 0.848 nan 8.190 nan 0.000 0.450 372 T N -2.458 112.237 114.554 0.235 0.000 2.910 372 T HA 0.646 5.002 4.350 0.009 0.000 0.287 372 T C -0.586 174.298 174.700 0.307 0.000 1.050 372 T CA -0.865 61.413 62.100 0.297 0.000 1.011 372 T CB 1.663 70.645 68.868 0.191 0.000 1.195 372 T HN 0.072 nan 8.240 nan 0.000 0.540 373 L N 1.968 123.373 121.223 0.303 0.000 2.477 373 L HA 0.427 4.772 4.340 0.009 0.000 0.272 373 L C 0.695 177.885 176.870 0.534 0.000 1.157 373 L CA -0.350 54.648 54.840 0.264 0.000 0.889 373 L CB -0.095 42.041 42.059 0.128 0.000 1.158 373 L HN 0.456 nan 8.230 nan 0.000 0.473 374 R N 4.014 124.748 120.500 0.390 0.000 2.744 374 R HA 0.510 4.856 4.340 0.009 0.000 0.279 374 R C -2.696 173.700 176.300 0.160 0.000 0.977 374 R CA -2.108 54.092 56.100 0.168 0.000 0.906 374 R CB 2.125 32.447 30.300 0.038 0.000 1.197 374 R HN 0.257 nan 8.270 nan 0.000 0.463 375 P HA 0.132 nan 4.420 nan 0.000 0.287 375 P C -0.544 176.724 177.300 -0.053 0.000 1.281 375 P CA -0.336 62.684 63.100 -0.133 0.000 0.781 375 P CB 0.789 32.208 31.700 -0.468 0.000 0.903 376 E N 2.522 122.733 120.200 0.019 0.000 2.493 376 E HA 0.185 4.540 4.350 0.009 0.000 0.255 376 E C 1.109 177.696 176.600 -0.022 0.000 0.999 376 E CA 0.753 57.154 56.400 0.001 0.000 0.934 376 E CB -0.463 29.247 29.700 0.018 0.000 0.940 376 E HN 0.812 nan 8.360 nan 0.000 0.473 377 G N 2.975 111.755 108.800 -0.033 0.000 2.179 377 G HA2 -0.262 3.704 3.960 0.009 0.000 0.260 377 G HA3 -0.262 3.704 3.960 0.009 0.000 0.260 377 G C 0.692 175.553 174.900 -0.066 0.000 0.977 377 G CA 0.145 45.219 45.100 -0.044 0.000 0.641 377 G HN 1.404 nan 8.290 nan 0.000 0.533 378 G N -1.196 107.554 108.800 -0.084 0.000 2.553 378 G HA2 0.145 4.111 3.960 0.009 0.000 0.242 378 G HA3 0.145 4.111 3.960 0.009 0.000 0.242 378 G C -0.220 174.594 174.900 -0.144 0.000 1.277 378 G CA 0.250 45.285 45.100 -0.109 0.000 0.910 378 G HN 1.798 nan 8.290 nan 0.000 0.576 379 L N 2.033 123.172 121.223 -0.140 0.000 2.502 379 L HA 0.545 4.890 4.340 0.009 0.000 0.249 379 L C -2.228 174.567 176.870 -0.125 0.000 1.446 379 L CA -1.589 53.159 54.840 -0.153 0.000 0.887 379 L CB 1.457 43.391 42.059 -0.208 0.000 1.126 379 L HN 0.394 nan 8.230 nan 0.000 0.509 380 P HA 0.428 nan 4.420 nan 0.000 0.268 380 P C -0.826 176.407 177.300 -0.112 0.000 1.204 380 P CA 0.109 63.142 63.100 -0.111 0.000 0.768 380 P CB 1.201 32.845 31.700 -0.093 0.000 0.842 381 A N 3.553 126.294 122.820 -0.132 0.000 2.587 381 A HA 0.735 5.060 4.320 0.009 0.000 0.293 381 A C -0.878 176.623 177.584 -0.139 0.000 1.087 381 A CA -0.911 51.054 52.037 -0.119 0.000 0.692 381 A CB 1.575 20.497 19.000 -0.130 0.000 1.291 381 A HN 0.588 nan 8.150 nan 0.000 0.407 382 R N 1.117 121.554 120.500 -0.105 0.000 2.358 382 R HA 0.554 4.899 4.340 0.009 0.000 0.309 382 R C -3.029 173.213 176.300 -0.098 0.000 1.026 382 R CA -1.508 54.519 56.100 -0.121 0.000 0.909 382 R CB 0.807 31.054 30.300 -0.089 0.000 1.153 382 R HN 0.296 nan 8.270 nan 0.000 0.515 383 P HA 0.035 nan 4.420 nan 0.000 0.267 383 P C -0.435 176.809 177.300 -0.094 0.000 1.209 383 P CA 0.117 63.075 63.100 -0.237 0.000 0.763 383 P CB 0.678 31.833 31.700 -0.908 0.000 0.816 384 R N 1.434 121.986 120.500 0.087 0.000 2.207 384 R HA 0.612 4.958 4.340 0.009 0.000 0.334 384 R C 0.507 176.968 176.300 0.269 0.000 1.013 384 R CA -0.315 55.872 56.100 0.144 0.000 0.858 384 R CB -0.841 29.521 30.300 0.102 0.000 1.094 384 R HN 0.638 nan 8.270 nan 0.000 0.457 385 E N 0.000 120.365 120.200 0.275 0.000 2.725 385 E HA 0.000 4.356 4.350 0.009 0.000 0.291 385 E CA 0.000 56.498 56.400 0.163 0.000 0.976 385 E CB 0.000 29.792 29.700 0.154 0.000 0.812 385 E HN 0.000 nan 8.360 nan 0.000 0.440