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 2zu0_1_A DATA FIRST_RESID 8 DATA SEQUENCE SNALQQWHHL FEAEGTKRSP QAQQHLQQLL RTGLPTRKHE NWKYTPLEGL DATA SEQUENCE INSQFVSIAG EISPQQRDAL ALTLDSVRLV FVDGRYVPAL SDATEGSGYE DATA SEQUENCE VSINDDRQGL PDAIQAEVFL HLTESLAQSV THIAVKRGQR PAKPLLLMHI DATA SEQUENCE TQGVAGEEVN TAHYRHHLDL AEGAEATVIE HFVSLNDARH FTGARFTINV DATA SEQUENCE AANAHLQHIK LAFENPLSHH FAHNDLLLAE DATAFSHSFL LGGAVLRHNT DATA SEQUENCE STQLNGENST LRINSLAMPV KNEVCDTRTW LEHNKGFCNS RQLHKTIVSD DATA SEQUENCE KGRAVFNGLI NVAQHAIKTD GQMTNNNLLM GKLAEVDTKP QLEIYADDVK DATA SEQUENCE CSHGATVGRI DDEQIFYLRS RGINQQDAQQ MIIYAFAAEL TEALRDEGLK DATA SEQUENCE QQVLARIGQR LPGGAR 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 8 S HA 0.000 nan 4.470 nan 0.000 0.327 8 S C 0.000 174.538 174.600 -0.103 0.000 1.055 8 S CA 0.000 58.149 58.200 -0.084 0.000 1.107 8 S CB 0.000 63.146 63.200 -0.090 0.000 0.593 9 N N 0.675 119.302 118.700 -0.122 0.000 2.569 9 N HA 0.575 5.302 4.740 -0.021 0.000 0.254 9 N C 1.016 176.363 175.510 -0.273 0.000 1.004 9 N CA -0.188 52.761 53.050 -0.167 0.000 0.904 9 N CB 1.038 39.447 38.487 -0.129 0.000 1.165 9 N HN 0.787 nan 8.380 nan 0.000 0.513 10 A N 3.778 126.351 122.820 -0.411 0.000 1.903 10 A HA -0.194 4.113 4.320 -0.021 0.000 0.219 10 A C 1.828 178.676 177.584 -1.228 0.000 1.191 10 A CA 1.309 52.794 52.037 -0.920 0.000 0.638 10 A CB -0.707 17.625 19.000 -1.113 0.000 0.823 10 A HN 0.743 nan 8.150 nan 0.000 0.451 11 L N -0.821 119.979 121.223 -0.704 0.000 2.083 11 L HA -0.251 4.077 4.340 -0.021 0.000 0.209 11 L C 2.953 179.737 176.870 -0.144 0.000 1.083 11 L CA 1.821 56.455 54.840 -0.344 0.000 0.752 11 L CB -0.579 41.362 42.059 -0.197 0.000 0.899 11 L HN 0.664 nan 8.230 nan 0.000 0.433 12 Q N -0.188 119.529 119.800 -0.138 0.000 2.050 12 Q HA -0.239 4.089 4.340 -0.021 0.000 0.202 12 Q C 2.231 178.253 176.000 0.037 0.000 0.980 12 Q CA 1.395 57.194 55.803 -0.007 0.000 0.840 12 Q CB -0.003 28.702 28.738 -0.054 0.000 0.898 12 Q HN 0.477 nan 8.270 nan 0.000 0.424 13 Q N -0.181 119.575 119.800 -0.074 0.000 2.045 13 Q HA -0.187 4.140 4.340 -0.021 0.000 0.206 13 Q C 1.888 178.020 176.000 0.220 0.000 0.991 13 Q CA 1.534 57.370 55.803 0.055 0.000 0.851 13 Q CB -0.503 28.270 28.738 0.058 0.000 0.911 13 Q HN 0.594 nan 8.270 nan 0.000 0.418 14 W N 0.136 121.470 121.300 0.057 0.000 2.374 14 W HA -0.107 4.541 4.660 -0.020 0.000 0.288 14 W C 2.067 178.669 176.519 0.138 0.000 1.218 14 W CA 0.730 58.086 57.345 0.019 0.000 1.245 14 W CB -1.378 28.004 29.460 -0.130 0.000 1.126 14 W HN 0.522 nan 8.180 nan 0.000 0.545 15 H N -1.387 117.816 119.070 0.223 0.000 2.353 15 H HA -0.227 4.316 4.556 -0.021 0.000 0.300 15 H C 2.307 177.784 175.328 0.247 0.000 1.090 15 H CA 1.992 58.140 56.048 0.168 0.000 1.327 15 H CB -0.098 29.711 29.762 0.079 0.000 1.383 15 H HN 0.037 nan 8.280 nan 0.000 0.508 16 H N 0.468 119.654 119.070 0.194 0.000 2.321 16 H HA -0.102 4.442 4.556 -0.021 0.000 0.300 16 H C 2.356 177.776 175.328 0.154 0.000 1.087 16 H CA 1.777 57.883 56.048 0.095 0.000 1.319 16 H CB -0.294 29.510 29.762 0.070 0.000 1.379 16 H HN 0.302 nan 8.280 nan 0.000 0.501 17 L N -0.984 120.363 121.223 0.207 0.000 2.131 17 L HA -0.157 4.170 4.340 -0.021 0.000 0.210 17 L C 2.163 179.097 176.870 0.108 0.000 1.092 17 L CA 1.144 56.061 54.840 0.129 0.000 0.759 17 L CB -0.491 41.707 42.059 0.233 0.000 0.903 17 L HN 0.286 nan 8.230 nan 0.000 0.435 18 F N 0.991 120.977 119.950 0.060 0.000 2.186 18 F HA -0.178 4.337 4.527 -0.021 0.000 0.299 18 F C 2.317 178.127 175.800 0.017 0.000 1.090 18 F CA 1.538 59.565 58.000 0.046 0.000 1.307 18 F CB 0.035 39.098 39.000 0.104 0.000 1.019 18 F HN 0.022 nan 8.300 nan 0.000 0.489 19 E N 0.524 120.782 120.200 0.097 0.000 2.478 19 E HA 0.182 4.519 4.350 -0.021 0.000 0.194 19 E C 0.790 177.301 176.600 -0.148 0.000 1.045 19 E CA 0.126 56.504 56.400 -0.037 0.000 0.868 19 E CB -0.076 29.640 29.700 0.026 0.000 0.885 19 E HN 0.344 nan 8.360 nan 0.000 0.505 20 A N 2.433 125.132 122.820 -0.201 0.000 2.622 20 A HA -0.174 4.133 4.320 -0.021 0.000 0.235 20 A C 0.590 178.092 177.584 -0.137 0.000 1.013 20 A CA 0.361 52.272 52.037 -0.210 0.000 0.765 20 A CB 0.109 19.016 19.000 -0.155 0.000 0.921 20 A HN 0.150 nan 8.150 nan 0.000 0.506 21 E N 1.500 121.637 120.200 -0.104 0.000 2.480 21 E HA 0.246 4.583 4.350 -0.021 0.000 0.258 21 E C 0.893 177.457 176.600 -0.060 0.000 0.984 21 E CA 1.472 57.833 56.400 -0.066 0.000 0.930 21 E CB -0.020 29.657 29.700 -0.039 0.000 0.936 21 E HN 1.836 nan 8.360 nan 0.000 0.466 22 G N 3.644 112.409 108.800 -0.058 0.000 2.452 22 G HA2 -0.185 3.763 3.960 -0.021 0.000 0.275 22 G HA3 -0.185 3.763 3.960 -0.021 0.000 0.275 22 G C -0.137 174.721 174.900 -0.069 0.000 1.131 22 G CA 0.236 45.306 45.100 -0.051 0.000 1.031 22 G HN 0.790 nan 8.290 nan 0.000 0.511 23 T N -2.466 112.030 114.554 -0.097 0.000 3.187 23 T HA 0.540 4.878 4.350 -0.021 0.000 0.328 23 T C -0.316 174.296 174.700 -0.147 0.000 0.951 23 T CA -0.693 61.327 62.100 -0.134 0.000 1.049 23 T CB 1.785 70.530 68.868 -0.205 0.000 1.015 23 T HN 0.458 nan 8.240 nan 0.000 0.461 24 K N 4.364 124.702 120.400 -0.103 0.000 2.142 24 K HA 0.170 4.477 4.320 -0.021 0.000 0.250 24 K C -0.031 176.510 176.600 -0.098 0.000 1.148 24 K CA -0.613 55.624 56.287 -0.083 0.000 1.040 24 K CB 0.230 32.704 32.500 -0.042 0.000 1.569 24 K HN 0.563 nan 8.250 nan 0.000 0.361 25 R N 1.648 122.048 120.500 -0.167 0.000 2.438 25 R HA 0.066 4.393 4.340 -0.021 0.000 0.287 25 R C 0.475 176.760 176.300 -0.025 0.000 1.077 25 R CA -0.259 55.742 56.100 -0.165 0.000 1.034 25 R CB 0.810 30.831 30.300 -0.465 0.000 0.993 25 R HN 0.569 nan 8.270 nan 0.000 0.459 26 S N 2.285 118.003 115.700 0.030 0.000 2.600 26 S HA 0.126 4.584 4.470 -0.021 0.000 0.265 26 S C -1.796 172.860 174.600 0.094 0.000 1.325 26 S CA -1.134 57.102 58.200 0.059 0.000 1.002 26 S CB 0.965 64.204 63.200 0.065 0.000 0.921 26 S HN 0.308 nan 8.310 nan 0.000 0.554 27 P HA -0.042 nan 4.420 nan 0.000 0.217 27 P C 1.343 178.681 177.300 0.062 0.000 1.151 27 P CA 0.965 64.101 63.100 0.061 0.000 0.828 27 P CB 0.020 31.740 31.700 0.033 0.000 0.788 28 Q N -0.224 119.621 119.800 0.075 0.000 2.050 28 Q HA -0.116 4.211 4.340 -0.021 0.000 0.202 28 Q C 2.297 178.405 176.000 0.180 0.000 0.980 28 Q CA 2.121 57.983 55.803 0.098 0.000 0.840 28 Q CB -1.566 27.246 28.738 0.123 0.000 0.898 28 Q HN 0.156 nan 8.270 nan 0.000 0.424 29 A N 0.316 123.256 122.820 0.200 0.000 1.933 29 A HA -0.265 4.043 4.320 -0.021 0.000 0.218 29 A C 2.015 179.736 177.584 0.228 0.000 1.175 29 A CA 1.611 53.808 52.037 0.266 0.000 0.628 29 A CB -0.497 18.688 19.000 0.308 0.000 0.814 29 A HN 0.408 nan 8.150 nan 0.000 0.444 30 Q N -0.746 119.191 119.800 0.228 0.000 2.124 30 Q HA -0.208 4.119 4.340 -0.021 0.000 0.202 30 Q C 2.323 178.266 176.000 -0.095 0.000 0.977 30 Q CA 1.644 57.510 55.803 0.104 0.000 0.850 30 Q CB -0.171 28.669 28.738 0.171 0.000 0.901 30 Q HN 0.771 nan 8.270 nan 0.000 0.429 31 Q N -0.620 119.128 119.800 -0.085 0.000 2.124 31 Q HA -0.165 4.162 4.340 -0.021 0.000 0.202 31 Q C 1.897 177.723 176.000 -0.289 0.000 0.977 31 Q CA 0.916 56.602 55.803 -0.195 0.000 0.850 31 Q CB -0.019 28.585 28.738 -0.224 0.000 0.901 31 Q HN 0.529 nan 8.270 nan 0.000 0.429 32 H N 0.305 119.298 119.070 -0.129 0.000 2.428 32 H HA -0.054 4.490 4.556 -0.021 0.000 0.296 32 H C 2.114 177.267 175.328 -0.291 0.000 1.062 32 H CA 0.727 56.691 56.048 -0.139 0.000 1.350 32 H CB 0.058 29.822 29.762 0.003 0.000 1.403 32 H HN 0.193 nan 8.280 nan 0.000 0.533 33 L N 1.153 122.212 121.223 -0.273 0.000 2.017 33 L HA -0.172 4.155 4.340 -0.021 0.000 0.208 33 L C 1.951 178.567 176.870 -0.424 0.000 1.073 33 L CA 1.631 56.174 54.840 -0.496 0.000 0.745 33 L CB -0.510 40.944 42.059 -1.008 0.000 0.894 33 L HN 0.183 nan 8.230 nan 0.000 0.432 34 Q N -0.212 119.370 119.800 -0.364 0.000 2.084 34 Q HA -0.208 4.120 4.340 -0.021 0.000 0.202 34 Q C 2.166 177.978 176.000 -0.313 0.000 0.978 34 Q CA 1.348 56.969 55.803 -0.303 0.000 0.844 34 Q CB -0.361 28.238 28.738 -0.231 0.000 0.898 34 Q HN 0.587 nan 8.270 nan 0.000 0.426 35 Q N 0.317 119.878 119.800 -0.399 0.000 2.084 35 Q HA -0.118 4.209 4.340 -0.021 0.000 0.202 35 Q C 2.228 177.940 176.000 -0.480 0.000 0.978 35 Q CA 0.750 56.236 55.803 -0.529 0.000 0.844 35 Q CB -0.537 27.614 28.738 -0.978 0.000 0.898 35 Q HN 0.300 nan 8.270 nan 0.000 0.426 36 L N 0.401 121.369 121.223 -0.425 0.000 2.012 36 L HA -0.155 4.173 4.340 -0.021 0.000 0.210 36 L C 2.033 178.778 176.870 -0.208 0.000 1.073 36 L CA 1.661 56.354 54.840 -0.245 0.000 0.748 36 L CB -0.591 41.351 42.059 -0.196 0.000 0.891 36 L HN 0.154 nan 8.230 nan 0.000 0.431 37 L N -0.969 120.108 121.223 -0.244 0.000 2.313 37 L HA -0.068 4.259 4.340 -0.021 0.000 0.214 37 L C 2.724 179.493 176.870 -0.169 0.000 1.119 37 L CA 0.687 55.400 54.840 -0.211 0.000 0.809 37 L CB -0.603 41.295 42.059 -0.269 0.000 0.933 37 L HN 0.336 nan 8.230 nan 0.000 0.449 38 R N -0.080 120.312 120.500 -0.180 0.000 2.057 38 R HA -0.146 4.181 4.340 -0.021 0.000 0.229 38 R C 2.381 178.618 176.300 -0.106 0.000 1.136 38 R CA 1.958 57.975 56.100 -0.138 0.000 0.952 38 R CB -0.296 29.914 30.300 -0.150 0.000 0.848 38 R HN 0.135 nan 8.270 nan 0.000 0.430 39 T N -0.620 113.868 114.554 -0.110 0.000 2.857 39 T HA 0.075 4.412 4.350 -0.021 0.000 0.266 39 T C 0.738 175.393 174.700 -0.075 0.000 1.048 39 T CA 1.238 63.300 62.100 -0.064 0.000 1.139 39 T CB -0.481 68.369 68.868 -0.030 0.000 0.874 39 T HN 0.672 nan 8.240 nan 0.000 0.455 40 G N 0.357 109.093 108.800 -0.108 0.000 2.796 40 G HA2 -0.184 3.764 3.960 -0.021 0.000 0.226 40 G HA3 -0.184 3.764 3.960 -0.021 0.000 0.226 40 G C -0.710 174.094 174.900 -0.159 0.000 1.381 40 G CA -0.354 44.673 45.100 -0.121 0.000 0.867 40 G HN 0.620 nan 8.290 nan 0.000 0.552 41 L N 2.229 123.344 121.223 -0.181 0.000 2.292 41 L HA 0.421 4.749 4.340 -0.021 0.000 0.284 41 L C -0.958 175.749 176.870 -0.270 0.000 1.065 41 L CA -1.581 53.106 54.840 -0.254 0.000 0.806 41 L CB 1.190 43.113 42.059 -0.226 0.000 1.175 41 L HN 0.600 nan 8.230 nan 0.000 0.431 42 P HA 0.160 nan 4.420 nan 0.000 0.274 42 P C -0.464 176.658 177.300 -0.296 0.000 1.237 42 P CA -0.305 62.535 63.100 -0.434 0.000 0.793 42 P CB 1.100 32.196 31.700 -1.007 0.000 0.977 43 T N -1.314 113.190 114.554 -0.083 0.000 2.922 43 T HA 0.333 4.671 4.350 -0.021 0.000 0.281 43 T C 1.234 175.987 174.700 0.089 0.000 1.005 43 T CA -0.904 61.190 62.100 -0.010 0.000 0.982 43 T CB 1.002 69.880 68.868 0.017 0.000 1.158 43 T HN 0.187 nan 8.240 nan 0.000 0.566 44 R N 0.178 120.736 120.500 0.096 0.000 2.357 44 R HA 0.055 4.382 4.340 -0.021 0.000 0.202 44 R C 1.526 177.888 176.300 0.103 0.000 1.047 44 R CA 0.665 56.840 56.100 0.125 0.000 1.034 44 R CB -0.317 30.034 30.300 0.086 0.000 0.875 44 R HN 0.679 nan 8.270 nan 0.000 0.473 45 K N -0.779 119.682 120.400 0.102 0.000 2.379 45 K HA -0.010 4.298 4.320 -0.021 0.000 0.194 45 K C 0.411 177.077 176.600 0.110 0.000 1.031 45 K CA -0.054 56.278 56.287 0.074 0.000 1.037 45 K CB 0.140 32.668 32.500 0.048 0.000 0.824 45 K HN 0.195 nan 8.250 nan 0.000 0.516 46 H N 1.423 120.552 119.070 0.098 0.000 2.764 46 H HA -0.040 4.503 4.556 -0.021 0.000 0.341 46 H C 1.346 176.769 175.328 0.158 0.000 1.072 46 H CA 0.277 56.417 56.048 0.153 0.000 1.444 46 H CB 0.973 30.879 29.762 0.240 0.000 1.458 46 H HN 0.131 nan 8.280 nan 0.000 0.572 47 E N 3.245 123.394 120.200 -0.084 0.000 2.136 47 E HA -0.356 3.982 4.350 -0.021 0.000 0.202 47 E C 0.440 177.131 176.600 0.153 0.000 1.019 47 E CA 1.867 58.269 56.400 0.005 0.000 0.819 47 E CB 0.053 29.692 29.700 -0.103 0.000 0.739 47 E HN 0.702 nan 8.360 nan 0.000 0.458 48 N N -1.250 117.726 118.700 0.459 0.000 2.268 48 N HA 0.025 4.753 4.740 -0.021 0.000 0.204 48 N C -0.618 174.726 175.510 -0.277 0.000 1.124 48 N CA 0.292 53.390 53.050 0.080 0.000 0.838 48 N CB 0.277 38.778 38.487 0.023 0.000 0.994 48 N HN 0.318 nan 8.380 nan 0.000 0.489 49 W N 0.043 121.413 121.300 0.117 0.000 2.190 49 W HA 0.350 4.997 4.660 -0.021 0.000 0.337 49 W C 1.647 178.135 176.519 -0.052 0.000 0.911 49 W CA -0.649 56.725 57.345 0.049 0.000 1.925 49 W CB 0.300 29.803 29.460 0.073 0.000 1.134 49 W HN -0.107 nan 8.180 nan 0.000 0.536 50 K N -0.022 120.305 120.400 -0.120 0.000 2.147 50 K HA -0.170 4.138 4.320 -0.021 0.000 0.205 50 K C 0.646 177.033 176.600 -0.355 0.000 1.049 50 K CA 1.635 57.702 56.287 -0.367 0.000 0.936 50 K CB 0.038 32.066 32.500 -0.786 0.000 0.722 50 K HN 0.239 nan 8.250 nan 0.000 0.446 51 Y N -0.597 119.763 120.300 0.101 0.000 2.445 51 Y HA 0.219 4.756 4.550 -0.021 0.000 0.247 51 Y C 0.063 176.019 175.900 0.092 0.000 1.129 51 Y CA -0.279 57.867 58.100 0.075 0.000 1.251 51 Y CB 0.688 39.165 38.460 0.028 0.000 1.176 51 Y HN -0.215 nan 8.280 nan 0.000 0.522 52 T N 5.053 119.758 114.554 0.253 0.000 2.770 52 T HA 0.285 4.622 4.350 -0.021 0.000 0.297 52 T C -2.749 172.176 174.700 0.374 0.000 0.997 52 T CA -1.634 60.627 62.100 0.269 0.000 0.949 52 T CB 1.404 70.381 68.868 0.181 0.000 0.941 52 T HN -0.104 nan 8.240 nan 0.000 0.457 53 P HA 0.273 nan 4.420 nan 0.000 0.276 53 P C -0.155 177.340 177.300 0.325 0.000 1.235 53 P CA -0.349 62.910 63.100 0.264 0.000 0.772 53 P CB 1.225 33.041 31.700 0.193 0.000 0.871 54 L N 1.846 123.223 121.223 0.256 0.000 2.858 54 L HA 0.116 4.444 4.340 -0.021 0.000 0.251 54 L C 1.702 178.647 176.870 0.125 0.000 1.149 54 L CA 0.084 55.052 54.840 0.214 0.000 0.955 54 L CB -0.048 42.090 42.059 0.132 0.000 1.289 54 L HN 0.190 nan 8.230 nan 0.000 0.542 55 E N 1.188 121.460 120.200 0.121 0.000 2.085 55 E HA -0.164 4.174 4.350 -0.021 0.000 0.194 55 E C 2.101 178.734 176.600 0.056 0.000 0.994 55 E CA 1.441 57.883 56.400 0.070 0.000 0.801 55 E CB -0.365 29.378 29.700 0.072 0.000 0.743 55 E HN 0.381 nan 8.360 nan 0.000 0.453 56 G N -0.736 108.133 108.800 0.116 0.000 2.916 56 G HA2 0.009 3.957 3.960 -0.021 0.000 0.205 56 G HA3 0.009 3.957 3.960 -0.021 0.000 0.205 56 G C 1.010 175.840 174.900 -0.116 0.000 1.163 56 G CA 0.252 45.402 45.100 0.083 0.000 0.821 56 G HN 0.121 nan 8.290 nan 0.000 0.515 57 L N -0.606 120.559 121.223 -0.095 0.000 2.658 57 L HA 0.283 4.610 4.340 -0.021 0.000 0.222 57 L C 2.139 179.026 176.870 0.028 0.000 1.033 57 L CA 0.342 55.112 54.840 -0.116 0.000 0.949 57 L CB -0.137 41.769 42.059 -0.255 0.000 1.698 57 L HN 0.127 nan 8.230 nan 0.000 0.498 58 I N -1.082 119.472 120.570 -0.027 0.000 2.530 58 I HA -0.126 4.031 4.170 -0.021 0.000 0.257 58 I C 0.258 176.315 176.117 -0.099 0.000 1.179 58 I CA 1.343 62.589 61.300 -0.091 0.000 1.440 58 I CB -1.033 36.916 38.000 -0.084 0.000 1.087 58 I HN 0.281 nan 8.210 nan 0.000 0.440 59 N N 0.605 119.262 118.700 -0.072 0.000 2.844 59 N HA 0.463 5.191 4.740 -0.021 0.000 0.268 59 N C -1.077 174.365 175.510 -0.114 0.000 1.574 59 N CA -0.191 52.808 53.050 -0.085 0.000 0.838 59 N CB 0.746 39.192 38.487 -0.068 0.000 1.177 59 N HN 0.140 nan 8.380 nan 0.000 0.495 60 S N 0.664 116.272 115.700 -0.153 0.000 2.579 60 S HA 0.354 4.812 4.470 -0.021 0.000 0.272 60 S C -0.977 173.389 174.600 -0.389 0.000 1.141 60 S CA -0.723 57.277 58.200 -0.334 0.000 0.843 60 S CB 2.125 64.971 63.200 -0.590 0.000 1.122 60 S HN 0.212 nan 8.310 nan 0.000 0.468 61 Q N 1.023 120.603 119.800 -0.366 0.000 2.274 61 Q HA 0.601 4.928 4.340 -0.021 0.000 0.256 61 Q C -1.415 174.391 176.000 -0.323 0.000 0.927 61 Q CA 0.323 56.003 55.803 -0.206 0.000 0.939 61 Q CB 0.385 29.060 28.738 -0.105 0.000 1.201 61 Q HN 0.493 nan 8.270 nan 0.000 0.426 62 F N 1.547 121.552 119.950 0.093 0.000 2.469 62 F HA 0.670 5.184 4.527 -0.021 0.000 0.332 62 F C 0.058 175.978 175.800 0.200 0.000 1.103 62 F CA -1.010 57.111 58.000 0.201 0.000 0.979 62 F CB 1.401 40.617 39.000 0.361 0.000 1.137 62 F HN 0.302 nan 8.300 nan 0.000 0.463 63 V N -0.731 119.398 119.914 0.359 0.000 3.102 63 V HA 0.773 4.880 4.120 -0.021 0.000 0.312 63 V C -0.767 175.476 176.094 0.249 0.000 1.135 63 V CA -0.799 61.655 62.300 0.258 0.000 1.022 63 V CB 1.804 33.726 31.823 0.166 0.000 1.056 63 V HN 0.679 nan 8.190 nan 0.000 0.436 64 S N 2.310 118.118 115.700 0.180 0.000 2.130 64 S HA 0.580 5.037 4.470 -0.021 0.000 0.165 64 S C -0.608 174.048 174.600 0.093 0.000 1.677 64 S CA -0.504 57.778 58.200 0.137 0.000 1.227 64 S CB -0.539 62.732 63.200 0.118 0.000 1.115 64 S HN 0.633 nan 8.310 nan 0.000 0.452 65 I N 3.593 124.219 120.570 0.092 0.000 2.291 65 I HA 0.377 4.534 4.170 -0.021 0.000 0.290 65 I C 0.585 176.737 176.117 0.059 0.000 1.050 65 I CA -0.501 60.841 61.300 0.071 0.000 1.245 65 I CB 1.208 39.252 38.000 0.073 0.000 1.405 65 I HN 0.587 nan 8.210 nan 0.000 0.478 66 A N 6.198 129.047 122.820 0.047 0.000 2.666 66 A HA 0.606 4.913 4.320 -0.021 0.000 0.312 66 A C 0.684 178.290 177.584 0.037 0.000 1.471 66 A CA -0.285 51.779 52.037 0.044 0.000 1.134 66 A CB -0.382 18.641 19.000 0.039 0.000 1.129 66 A HN 0.806 nan 8.150 nan 0.000 0.539 67 G N 0.926 109.750 108.800 0.040 0.000 2.535 67 G HA2 0.538 4.486 3.960 -0.021 0.000 0.282 67 G HA3 0.538 4.486 3.960 -0.021 0.000 0.282 67 G C -0.273 174.640 174.900 0.021 0.000 1.350 67 G CA -0.437 44.682 45.100 0.031 0.000 1.039 67 G HN 0.663 nan 8.290 nan 0.000 0.509 68 E N -1.186 119.022 120.200 0.013 0.000 2.314 68 E HA 0.443 4.781 4.350 -0.021 0.000 0.272 68 E C -0.629 175.971 176.600 -0.000 0.000 0.884 68 E CA -0.508 55.892 56.400 -0.001 0.000 0.753 68 E CB 2.548 32.242 29.700 -0.009 0.000 1.213 68 E HN 0.559 nan 8.360 nan 0.000 0.432 69 I N -1.611 118.953 120.570 -0.009 0.000 3.170 69 I HA 0.642 4.800 4.170 -0.021 0.000 0.312 69 I C -0.126 175.980 176.117 -0.017 0.000 1.085 69 I CA -0.808 60.488 61.300 -0.007 0.000 0.999 69 I CB 2.016 40.014 38.000 -0.002 0.000 1.233 69 I HN 0.442 nan 8.210 nan 0.000 0.467 70 S N 0.984 116.676 115.700 -0.012 0.000 2.690 70 S HA 0.564 5.022 4.470 -0.021 0.000 0.291 70 S C -1.819 172.769 174.600 -0.020 0.000 1.138 70 S CA -1.301 56.889 58.200 -0.017 0.000 1.013 70 S CB 1.340 64.535 63.200 -0.009 0.000 1.053 70 S HN 0.664 nan 8.310 nan 0.000 0.539 71 P HA -0.136 nan 4.420 nan 0.000 0.219 71 P C 0.926 178.218 177.300 -0.014 0.000 1.146 71 P CA 1.244 64.328 63.100 -0.026 0.000 0.808 71 P CB 0.044 31.727 31.700 -0.028 0.000 0.779 72 Q N 0.290 120.085 119.800 -0.008 0.000 2.084 72 Q HA -0.147 4.180 4.340 -0.021 0.000 0.202 72 Q C 2.498 178.501 176.000 0.005 0.000 0.978 72 Q CA 1.673 57.476 55.803 -0.001 0.000 0.844 72 Q CB -0.989 27.750 28.738 0.001 0.000 0.898 72 Q HN 0.433 nan 8.270 nan 0.000 0.426 73 Q N -0.325 119.477 119.800 0.005 0.000 2.119 73 Q HA -0.091 4.236 4.340 -0.021 0.000 0.201 73 Q C 2.146 178.153 176.000 0.012 0.000 0.972 73 Q CA 0.979 56.789 55.803 0.012 0.000 0.847 73 Q CB -0.111 28.634 28.738 0.012 0.000 0.903 73 Q HN 0.267 nan 8.270 nan 0.000 0.433 74 R N 0.918 121.418 120.500 0.000 0.000 2.070 74 R HA -0.184 4.144 4.340 -0.021 0.000 0.233 74 R C 1.293 177.599 176.300 0.010 0.000 1.137 74 R CA 1.945 58.042 56.100 -0.004 0.000 0.945 74 R CB -0.125 30.160 30.300 -0.025 0.000 0.845 74 R HN 0.203 nan 8.270 nan 0.000 0.430 75 D N 0.496 120.899 120.400 0.006 0.000 2.133 75 D HA -0.163 4.465 4.640 -0.021 0.000 0.195 75 D C 1.677 177.993 176.300 0.026 0.000 0.997 75 D CA 1.635 55.641 54.000 0.011 0.000 0.840 75 D CB -0.315 40.488 40.800 0.004 0.000 0.947 75 D HN 0.435 nan 8.370 nan 0.000 0.452 76 A N -0.234 122.602 122.820 0.028 0.000 2.121 76 A HA -0.044 4.263 4.320 -0.021 0.000 0.218 76 A C 2.093 179.711 177.584 0.057 0.000 1.154 76 A CA 0.824 52.883 52.037 0.037 0.000 0.679 76 A CB -0.304 18.716 19.000 0.034 0.000 0.795 76 A HN 0.260 nan 8.150 nan 0.000 0.458 77 L N -1.624 119.638 121.223 0.064 0.000 2.731 77 L HA 0.315 4.642 4.340 -0.021 0.000 0.240 77 L C 1.155 178.117 176.870 0.153 0.000 1.120 77 L CA -0.027 54.872 54.840 0.098 0.000 0.913 77 L CB 0.143 42.243 42.059 0.069 0.000 1.213 77 L HN 0.299 nan 8.230 nan 0.000 0.515 78 A N 0.766 123.651 122.820 0.108 0.000 2.351 78 A HA 0.481 4.789 4.320 -0.021 0.000 0.257 78 A C -0.023 177.612 177.584 0.085 0.000 1.087 78 A CA -0.307 51.799 52.037 0.116 0.000 0.798 78 A CB 0.232 19.260 19.000 0.047 0.000 1.033 78 A HN 0.136 nan 8.150 nan 0.000 0.488 79 L N 0.639 121.871 121.223 0.015 0.000 2.453 79 L HA 0.234 4.561 4.340 -0.021 0.000 0.261 79 L C 0.629 177.470 176.870 -0.049 0.000 1.179 79 L CA -0.090 54.701 54.840 -0.083 0.000 0.813 79 L CB 0.740 42.651 42.059 -0.246 0.000 1.110 79 L HN 0.676 nan 8.230 nan 0.000 0.466 80 T N 3.954 118.481 114.554 -0.046 0.000 2.747 80 T HA 0.541 4.879 4.350 -0.021 0.000 0.301 80 T C -0.553 174.117 174.700 -0.049 0.000 0.952 80 T CA -0.101 61.979 62.100 -0.035 0.000 0.983 80 T CB 0.073 68.926 68.868 -0.025 0.000 0.930 80 T HN 0.251 nan 8.240 nan 0.000 0.494 81 L N 3.581 124.776 121.223 -0.047 0.000 2.591 81 L HA 0.439 4.766 4.340 -0.021 0.000 0.257 81 L C -1.693 175.155 176.870 -0.036 0.000 0.935 81 L CA -0.656 54.155 54.840 -0.049 0.000 0.873 81 L CB 2.361 44.377 42.059 -0.072 0.000 1.397 81 L HN 0.364 nan 8.230 nan 0.000 0.414 82 D N 2.329 122.713 120.400 -0.026 0.000 2.393 82 D HA 0.606 5.234 4.640 -0.021 0.000 0.232 82 D C -0.606 175.688 176.300 -0.010 0.000 1.192 82 D CA 0.578 54.569 54.000 -0.015 0.000 0.882 82 D CB 0.688 41.483 40.800 -0.008 0.000 1.038 82 D HN 0.703 nan 8.370 nan 0.000 0.499 83 S N 1.322 117.013 115.700 -0.014 0.000 2.776 83 S HA 0.549 5.007 4.470 -0.021 0.000 0.292 83 S C -1.003 173.590 174.600 -0.012 0.000 1.187 83 S CA -0.938 57.255 58.200 -0.012 0.000 0.834 83 S CB 1.124 64.300 63.200 -0.041 0.000 1.199 83 S HN 0.063 nan 8.310 nan 0.000 0.514 84 V N 1.812 121.711 119.914 -0.025 0.000 2.304 84 V HA 0.496 4.603 4.120 -0.021 0.000 0.269 84 V C 0.289 176.325 176.094 -0.096 0.000 1.036 84 V CA -0.423 61.854 62.300 -0.038 0.000 0.840 84 V CB 0.219 32.028 31.823 -0.025 0.000 1.036 84 V HN 0.797 nan 8.190 nan 0.000 0.466 85 R N 5.410 125.866 120.500 -0.073 0.000 2.229 85 R HA 0.594 4.921 4.340 -0.021 0.000 0.328 85 R C -1.128 175.115 176.300 -0.094 0.000 1.009 85 R CA -0.542 55.504 56.100 -0.089 0.000 0.864 85 R CB 0.770 31.026 30.300 -0.074 0.000 1.085 85 R HN 0.641 nan 8.270 nan 0.000 0.453 86 L N 5.078 126.234 121.223 -0.111 0.000 2.295 86 L HA 0.461 4.788 4.340 -0.021 0.000 0.285 86 L C -0.575 176.143 176.870 -0.253 0.000 1.035 86 L CA -1.102 53.655 54.840 -0.138 0.000 0.806 86 L CB 1.911 43.910 42.059 -0.100 0.000 1.214 86 L HN 0.360 nan 8.230 nan 0.000 0.426 87 V N 3.443 123.128 119.914 -0.382 0.000 2.435 87 V HA 0.456 4.563 4.120 -0.021 0.000 0.290 87 V C -0.581 175.165 176.094 -0.579 0.000 1.030 87 V CA -0.394 61.688 62.300 -0.363 0.000 0.881 87 V CB 1.528 33.206 31.823 -0.241 0.000 0.983 87 V HN 0.368 nan 8.190 nan 0.000 0.445 88 F N 3.373 123.229 119.950 -0.157 0.000 2.493 88 F HA 0.707 5.220 4.527 -0.023 0.000 0.329 88 F C -0.133 175.678 175.800 0.018 0.000 1.126 88 F CA -0.897 57.091 58.000 -0.020 0.000 0.937 88 F CB 2.027 41.004 39.000 -0.039 0.000 1.146 88 F HN 0.157 nan 8.300 nan 0.000 0.442 89 V N 2.250 122.303 119.914 0.231 0.000 2.540 89 V HA 0.291 4.399 4.120 -0.021 0.000 0.302 89 V C -0.525 175.708 176.094 0.232 0.000 1.035 89 V CA -1.244 61.162 62.300 0.176 0.000 0.873 89 V CB 1.619 33.477 31.823 0.058 0.000 0.992 89 V HN 0.772 nan 8.190 nan 0.000 0.428 90 D N 4.068 124.605 120.400 0.228 0.000 2.706 90 D HA -0.212 4.416 4.640 -0.021 0.000 0.230 90 D C 1.357 177.709 176.300 0.086 0.000 1.184 90 D CA 1.729 55.813 54.000 0.141 0.000 0.628 90 D CB -0.882 39.964 40.800 0.075 0.000 1.019 90 D HN 1.475 nan 8.370 nan 0.000 0.415 91 G N -0.621 108.252 108.800 0.122 0.000 2.179 91 G HA2 -0.346 3.602 3.960 -0.021 0.000 0.260 91 G HA3 -0.346 3.602 3.960 -0.021 0.000 0.260 91 G C 0.201 175.210 174.900 0.181 0.000 0.977 91 G CA 0.267 45.289 45.100 -0.131 0.000 0.641 91 G HN 0.407 nan 8.290 nan 0.000 0.533 92 R N -0.576 120.101 120.500 0.295 0.000 2.534 92 R HA 0.444 4.771 4.340 -0.021 0.000 0.301 92 R C -0.522 175.959 176.300 0.301 0.000 0.961 92 R CA -1.089 55.165 56.100 0.257 0.000 0.871 92 R CB 1.191 31.565 30.300 0.124 0.000 1.170 92 R HN 0.244 nan 8.270 nan 0.000 0.446 93 Y N 2.274 122.667 120.300 0.155 0.000 2.442 93 Y HA 0.125 4.662 4.550 -0.022 0.000 0.330 93 Y C -0.413 175.393 175.900 -0.158 0.000 1.129 93 Y CA -0.158 57.849 58.100 -0.154 0.000 1.365 93 Y CB 0.764 39.158 38.460 -0.109 0.000 1.233 93 Y HN 0.236 nan 8.280 nan 0.000 0.529 94 V N 10.553 129.997 119.914 -0.783 0.000 2.284 94 V HA 0.188 4.296 4.120 -0.021 0.000 0.274 94 V C -1.784 173.784 176.094 -0.876 0.000 1.023 94 V CA -1.504 60.413 62.300 -0.638 0.000 0.808 94 V CB 1.039 32.664 31.823 -0.331 0.000 1.035 94 V HN 0.729 nan 8.190 nan 0.000 0.445 95 P HA -0.232 nan 4.420 nan 0.000 0.215 95 P C 1.717 178.826 177.300 -0.319 0.000 1.163 95 P CA 2.080 64.815 63.100 -0.608 0.000 0.894 95 P CB 0.286 31.801 31.700 -0.307 0.000 0.791 96 A N -1.195 121.479 122.820 -0.242 0.000 2.076 96 A HA -0.148 4.159 4.320 -0.021 0.000 0.220 96 A C 2.006 179.501 177.584 -0.148 0.000 1.160 96 A CA 1.454 53.399 52.037 -0.154 0.000 0.653 96 A CB -1.480 17.448 19.000 -0.119 0.000 0.801 96 A HN 0.185 nan 8.150 nan 0.000 0.455 97 L N -0.736 120.369 121.223 -0.198 0.000 2.640 97 L HA 0.144 4.472 4.340 -0.021 0.000 0.230 97 L C 0.356 177.128 176.870 -0.163 0.000 1.123 97 L CA -0.275 54.468 54.840 -0.161 0.000 0.900 97 L CB 0.248 42.210 42.059 -0.161 0.000 1.146 97 L HN 0.140 nan 8.230 nan 0.000 0.484 98 S N -0.989 114.595 115.700 -0.194 0.000 2.690 98 S HA 0.327 4.784 4.470 -0.021 0.000 0.291 98 S C -0.511 174.048 174.600 -0.069 0.000 1.138 98 S CA -0.761 57.358 58.200 -0.136 0.000 1.013 98 S CB 1.617 64.743 63.200 -0.122 0.000 1.053 98 S HN 0.007 nan 8.310 nan 0.000 0.539 99 D N 1.326 121.701 120.400 -0.041 0.000 2.283 99 D HA 0.515 5.143 4.640 -0.021 0.000 0.248 99 D C 0.049 176.353 176.300 0.007 0.000 1.072 99 D CA -0.195 53.794 54.000 -0.019 0.000 0.929 99 D CB 1.054 41.842 40.800 -0.019 0.000 1.182 99 D HN 0.589 nan 8.370 nan 0.000 0.433 100 A N 0.544 123.372 122.820 0.013 0.000 2.407 100 A HA 0.343 4.650 4.320 -0.021 0.000 0.248 100 A C 1.163 178.771 177.584 0.040 0.000 1.082 100 A CA -0.033 52.021 52.037 0.028 0.000 0.785 100 A CB 0.151 19.164 19.000 0.022 0.000 1.020 100 A HN 0.626 nan 8.150 nan 0.000 0.489 101 T N -0.811 113.774 114.554 0.052 0.000 3.022 101 T HA 0.147 4.485 4.350 -0.021 0.000 0.250 101 T C 0.546 175.293 174.700 0.078 0.000 1.060 101 T CA 0.414 62.560 62.100 0.077 0.000 1.013 101 T CB -0.304 68.613 68.868 0.082 0.000 0.982 101 T HN 0.746 nan 8.240 nan 0.000 0.508 102 E N 1.270 121.502 120.200 0.054 0.000 2.480 102 E HA 0.339 4.677 4.350 -0.021 0.000 0.258 102 E C 1.286 177.909 176.600 0.037 0.000 0.984 102 E CA 0.865 57.290 56.400 0.042 0.000 0.930 102 E CB -0.420 29.299 29.700 0.031 0.000 0.936 102 E HN 0.529 nan 8.360 nan 0.000 0.466 103 G N 3.038 111.855 108.800 0.029 0.000 2.184 103 G HA2 -0.374 3.574 3.960 -0.021 0.000 0.264 103 G HA3 -0.374 3.574 3.960 -0.021 0.000 0.264 103 G C 0.857 175.769 174.900 0.020 0.000 0.975 103 G CA 0.874 45.984 45.100 0.017 0.000 0.642 103 G HN 0.754 nan 8.290 nan 0.000 0.536 104 S N -0.939 114.790 115.700 0.049 0.000 2.470 104 S HA 0.411 4.868 4.470 -0.021 0.000 0.225 104 S C 2.249 176.831 174.600 -0.030 0.000 1.006 104 S CA 1.532 59.782 58.200 0.083 0.000 0.934 104 S CB 0.265 63.595 63.200 0.216 0.000 0.778 104 S HN 2.365 nan 8.310 nan 0.000 0.517 105 G N -0.410 108.336 108.800 -0.091 0.000 2.179 105 G HA2 -0.190 3.757 3.960 -0.021 0.000 0.220 105 G HA3 -0.190 3.757 3.960 -0.021 0.000 0.220 105 G C -0.248 174.426 174.900 -0.377 0.000 0.990 105 G CA -0.023 44.918 45.100 -0.264 0.000 0.646 105 G HN 0.558 nan 8.290 nan 0.000 0.517 106 Y N 1.231 121.542 120.300 0.019 0.000 2.328 106 Y HA 0.606 5.150 4.550 -0.010 0.000 0.336 106 Y C 0.084 176.000 175.900 0.027 0.000 0.960 106 Y CA -1.064 57.051 58.100 0.026 0.000 1.134 106 Y CB 1.419 39.895 38.460 0.026 0.000 1.166 106 Y HN -0.060 nan 8.280 nan 0.000 0.464 107 E N 3.572 123.873 120.200 0.168 0.000 2.152 107 E HA 0.338 4.676 4.350 -0.021 0.000 0.285 107 E C -1.007 175.671 176.600 0.129 0.000 1.043 107 E CA -0.263 56.207 56.400 0.116 0.000 0.839 107 E CB 1.537 31.289 29.700 0.086 0.000 1.069 107 E HN 0.337 nan 8.360 nan 0.000 0.399 108 V N 2.421 122.394 119.914 0.099 0.000 2.531 108 V HA 0.414 4.521 4.120 -0.021 0.000 0.301 108 V C -0.216 175.906 176.094 0.048 0.000 1.034 108 V CA -0.633 61.710 62.300 0.072 0.000 0.865 108 V CB 2.131 33.969 31.823 0.025 0.000 0.995 108 V HN 0.511 nan 8.190 nan 0.000 0.424 109 S N 4.947 120.693 115.700 0.076 0.000 2.571 109 S HA 0.748 5.205 4.470 -0.021 0.000 0.284 109 S C -0.949 173.716 174.600 0.108 0.000 1.128 109 S CA -0.392 57.857 58.200 0.082 0.000 0.970 109 S CB 1.652 64.915 63.200 0.104 0.000 1.039 109 S HN 0.493 nan 8.310 nan 0.000 0.485 110 I N 4.508 125.087 120.570 0.016 0.000 2.382 110 I HA 0.514 4.671 4.170 -0.021 0.000 0.285 110 I C -0.177 175.993 176.117 0.089 0.000 1.007 110 I CA -0.205 61.092 61.300 -0.006 0.000 1.142 110 I CB 0.946 38.800 38.000 -0.243 0.000 1.289 110 I HN 0.785 nan 8.210 nan 0.000 0.453 111 N N 2.118 120.907 118.700 0.149 0.000 3.308 111 N HA 0.323 5.051 4.740 -0.021 0.000 0.276 111 N C -0.615 174.983 175.510 0.147 0.000 1.533 111 N CA -0.755 52.380 53.050 0.142 0.000 0.878 111 N CB 0.628 39.199 38.487 0.140 0.000 1.566 111 N HN 0.159 nan 8.380 nan 0.000 0.546 112 D N -1.091 119.378 120.400 0.114 0.000 2.427 112 D HA 0.145 4.773 4.640 -0.021 0.000 0.224 112 D C -1.012 175.357 176.300 0.114 0.000 1.157 112 D CA -0.040 54.017 54.000 0.094 0.000 0.828 112 D CB -0.240 40.590 40.800 0.050 0.000 0.974 112 D HN 0.483 nan 8.370 nan 0.000 0.498 113 D N 0.158 120.656 120.400 0.163 0.000 2.312 113 D HA 0.130 4.758 4.640 -0.021 0.000 0.252 113 D C 0.547 176.953 176.300 0.177 0.000 1.150 113 D CA 0.028 54.096 54.000 0.114 0.000 0.870 113 D CB 0.559 41.383 40.800 0.041 0.000 1.153 113 D HN 0.057 nan 8.370 nan 0.000 0.457 114 R N 2.988 123.556 120.500 0.114 0.000 2.565 114 R HA 0.028 4.356 4.340 -0.021 0.000 0.347 114 R C 1.154 177.493 176.300 0.065 0.000 1.010 114 R CA -0.288 55.884 56.100 0.120 0.000 1.126 114 R CB 0.368 30.723 30.300 0.091 0.000 1.331 114 R HN 0.312 nan 8.270 nan 0.000 0.552 115 Q N 1.333 121.155 119.800 0.037 0.000 2.173 115 Q HA -0.133 4.194 4.340 -0.021 0.000 0.208 115 Q C 1.729 177.729 176.000 0.001 0.000 0.989 115 Q CA 2.328 58.139 55.803 0.013 0.000 0.872 115 Q CB -0.343 28.395 28.738 -0.000 0.000 0.909 115 Q HN 0.421 nan 8.270 nan 0.000 0.420 116 G N -1.079 107.719 108.800 -0.004 0.000 2.539 116 G HA2 0.037 3.985 3.960 -0.021 0.000 0.215 116 G HA3 0.037 3.985 3.960 -0.021 0.000 0.215 116 G C -0.053 174.805 174.900 -0.071 0.000 1.141 116 G CA -0.191 44.894 45.100 -0.025 0.000 0.806 116 G HN 0.242 nan 8.290 nan 0.000 0.533 117 L N 2.933 124.104 121.223 -0.086 0.000 2.653 117 L HA 0.114 4.441 4.340 -0.021 0.000 0.288 117 L C -1.189 175.618 176.870 -0.105 0.000 1.243 117 L CA -0.921 53.816 54.840 -0.171 0.000 0.906 117 L CB -0.249 41.763 42.059 -0.080 0.000 1.154 117 L HN 0.144 nan 8.230 nan 0.000 0.498 118 P HA 0.113 nan 4.420 nan 0.000 0.274 118 P C -0.737 176.556 177.300 -0.012 0.000 1.246 118 P CA -0.619 62.457 63.100 -0.040 0.000 0.795 118 P CB 0.743 32.436 31.700 -0.011 0.000 1.006 119 D N -0.371 120.029 120.400 -0.001 0.000 2.357 119 D HA 0.264 4.891 4.640 -0.021 0.000 0.242 119 D C 0.335 176.625 176.300 -0.018 0.000 1.153 119 D CA 0.102 54.105 54.000 0.006 0.000 0.918 119 D CB 0.723 41.523 40.800 0.000 0.000 1.181 119 D HN 0.420 nan 8.370 nan 0.000 0.435 120 A N 1.442 124.242 122.820 -0.033 0.000 2.462 120 A HA 0.123 4.430 4.320 -0.021 0.000 0.243 120 A C 1.448 178.949 177.584 -0.139 0.000 1.076 120 A CA -0.207 51.754 52.037 -0.126 0.000 0.773 120 A CB 0.056 18.938 19.000 -0.198 0.000 1.010 120 A HN 0.608 nan 8.150 nan 0.000 0.493 121 I N 0.111 120.575 120.570 -0.177 0.000 2.286 121 I HA -0.095 4.063 4.170 -0.021 0.000 0.245 121 I C 1.465 177.366 176.117 -0.361 0.000 1.104 121 I CA 1.169 62.367 61.300 -0.170 0.000 1.397 121 I CB 0.092 38.019 38.000 -0.121 0.000 1.072 121 I HN 0.741 nan 8.210 nan 0.000 0.417 122 Q N 1.490 120.974 119.800 -0.527 0.000 2.490 122 Q HA 0.490 4.818 4.340 -0.021 0.000 0.255 122 Q C -1.048 174.676 176.000 -0.459 0.000 0.997 122 Q CA -0.587 54.781 55.803 -0.724 0.000 0.709 122 Q CB 1.549 29.575 28.738 -1.186 0.000 1.255 122 Q HN 0.280 nan 8.270 nan 0.000 0.486 123 A N 3.749 126.381 122.820 -0.312 0.000 2.440 123 A HA 0.445 4.753 4.320 -0.021 0.000 0.251 123 A C -0.462 177.020 177.584 -0.170 0.000 1.089 123 A CA 0.133 52.008 52.037 -0.270 0.000 0.779 123 A CB 0.291 19.259 19.000 -0.053 0.000 1.022 123 A HN 0.823 nan 8.150 nan 0.000 0.492 124 E N 0.801 120.851 120.200 -0.251 0.000 2.390 124 E HA 0.361 4.698 4.350 -0.021 0.000 0.280 124 E C 0.074 176.689 176.600 0.024 0.000 0.992 124 E CA -0.323 56.086 56.400 0.014 0.000 0.790 124 E CB 0.814 30.611 29.700 0.162 0.000 1.248 124 E HN 0.713 nan 8.360 nan 0.000 0.447 125 V N 1.231 121.229 119.914 0.140 0.000 2.252 125 V HA -0.321 3.787 4.120 -0.021 0.000 0.255 125 V C 1.214 177.216 176.094 -0.153 0.000 1.071 125 V CA 2.368 64.665 62.300 -0.004 0.000 1.050 125 V CB -0.567 31.131 31.823 -0.208 0.000 0.654 125 V HN 0.762 nan 8.190 nan 0.000 0.448 126 F N -0.740 119.291 119.950 0.135 0.000 2.502 126 F HA 0.046 4.560 4.527 -0.021 0.000 0.298 126 F C 2.015 177.809 175.800 -0.010 0.000 1.111 126 F CA 1.470 59.523 58.000 0.089 0.000 1.445 126 F CB -0.241 38.945 39.000 0.309 0.000 1.081 126 F HN 0.219 nan 8.300 nan 0.000 0.558 127 L N -0.736 120.518 121.223 0.052 0.000 2.072 127 L HA -0.186 4.141 4.340 -0.021 0.000 0.205 127 L C 2.659 179.362 176.870 -0.278 0.000 1.079 127 L CA 1.503 56.243 54.840 -0.165 0.000 0.752 127 L CB -0.474 41.336 42.059 -0.415 0.000 0.906 127 L HN 0.114 nan 8.230 nan 0.000 0.436 128 H N -0.323 118.664 119.070 -0.139 0.000 2.353 128 H HA -0.168 4.376 4.556 -0.020 0.000 0.300 128 H C 2.161 177.346 175.328 -0.239 0.000 1.090 128 H CA 1.813 57.776 56.048 -0.143 0.000 1.327 128 H CB -0.267 29.459 29.762 -0.060 0.000 1.383 128 H HN 0.331 nan 8.280 nan 0.000 0.508 129 L N 0.758 121.872 121.223 -0.182 0.000 2.012 129 L HA -0.149 4.178 4.340 -0.021 0.000 0.210 129 L C 2.238 178.797 176.870 -0.518 0.000 1.073 129 L CA 1.869 56.463 54.840 -0.410 0.000 0.748 129 L CB -0.894 40.791 42.059 -0.623 0.000 0.891 129 L HN 0.115 nan 8.230 nan 0.000 0.431 130 T N -0.605 113.723 114.554 -0.377 0.000 2.777 130 T HA -0.120 4.218 4.350 -0.021 0.000 0.266 130 T C 1.728 176.277 174.700 -0.251 0.000 1.040 130 T CA 1.320 63.240 62.100 -0.300 0.000 1.141 130 T CB -0.197 68.635 68.868 -0.061 0.000 0.868 130 T HN 0.369 nan 8.240 nan 0.000 0.444 131 E N 1.542 121.573 120.200 -0.281 0.000 2.085 131 E HA -0.117 4.220 4.350 -0.021 0.000 0.194 131 E C 2.667 179.189 176.600 -0.130 0.000 0.994 131 E CA 1.588 57.808 56.400 -0.301 0.000 0.801 131 E CB -0.360 28.886 29.700 -0.757 0.000 0.743 131 E HN 0.651 nan 8.360 nan 0.000 0.453 132 S N 0.255 115.895 115.700 -0.099 0.000 2.414 132 S HA 0.006 4.464 4.470 -0.021 0.000 0.227 132 S C 2.058 176.740 174.600 0.137 0.000 1.022 132 S CA 0.442 58.681 58.200 0.064 0.000 0.958 132 S CB -0.273 62.880 63.200 -0.078 0.000 0.797 132 S HN 0.155 nan 8.310 nan 0.000 0.493 133 L N 1.268 122.433 121.223 -0.097 0.000 2.567 133 L HA 0.385 4.713 4.340 -0.021 0.000 0.225 133 L C 1.263 178.091 176.870 -0.071 0.000 1.119 133 L CA -0.040 54.742 54.840 -0.096 0.000 0.871 133 L CB -0.517 41.349 42.059 -0.322 0.000 1.036 133 L HN 0.321 nan 8.230 nan 0.000 0.459 134 A N 0.325 123.097 122.820 -0.081 0.000 2.524 134 A HA 0.029 4.337 4.320 -0.021 0.000 0.250 134 A C 1.042 178.601 177.584 -0.041 0.000 1.078 134 A CA 0.022 52.018 52.037 -0.069 0.000 0.761 134 A CB 0.262 19.207 19.000 -0.092 0.000 1.012 134 A HN 0.396 nan 8.150 nan 0.000 0.500 135 Q N 0.975 120.756 119.800 -0.032 0.000 2.432 135 Q HA 0.062 4.390 4.340 -0.021 0.000 0.205 135 Q C 0.356 176.365 176.000 0.015 0.000 0.945 135 Q CA 0.965 56.763 55.803 -0.009 0.000 0.924 135 Q CB 0.015 28.756 28.738 0.004 0.000 1.016 135 Q HN 0.953 nan 8.270 nan 0.000 0.503 136 S N -1.835 113.874 115.700 0.016 0.000 2.611 136 S HA 0.547 5.004 4.470 -0.021 0.000 0.268 136 S C -1.034 173.550 174.600 -0.027 0.000 1.156 136 S CA -1.045 57.172 58.200 0.028 0.000 0.817 136 S CB 1.666 64.919 63.200 0.089 0.000 1.122 136 S HN -0.109 nan 8.310 nan 0.000 0.466 137 V N 1.393 121.265 119.914 -0.070 0.000 2.540 137 V HA 0.589 4.696 4.120 -0.021 0.000 0.302 137 V C -0.264 175.659 176.094 -0.284 0.000 1.035 137 V CA -0.540 61.633 62.300 -0.213 0.000 0.873 137 V CB 1.972 33.606 31.823 -0.314 0.000 0.992 137 V HN 1.018 nan 8.190 nan 0.000 0.428 138 T N 4.434 118.897 114.554 -0.152 0.000 2.747 138 T HA 0.316 4.653 4.350 -0.021 0.000 0.301 138 T C -0.165 174.477 174.700 -0.096 0.000 0.952 138 T CA -0.219 61.861 62.100 -0.034 0.000 0.983 138 T CB -0.457 68.541 68.868 0.216 0.000 0.930 138 T HN 0.547 nan 8.240 nan 0.000 0.494 139 H N 4.224 123.357 119.070 0.105 0.000 2.782 139 H HA 0.368 4.911 4.556 -0.022 0.000 0.285 139 H C 0.054 175.449 175.328 0.113 0.000 1.093 139 H CA -0.232 55.898 56.048 0.136 0.000 1.410 139 H CB 0.468 30.294 29.762 0.105 0.000 1.439 139 H HN 0.505 nan 8.280 nan 0.000 0.469 140 I N 2.138 122.844 120.570 0.226 0.000 2.509 140 I HA 0.581 4.739 4.170 -0.021 0.000 0.293 140 I C -0.125 176.100 176.117 0.181 0.000 1.020 140 I CA -0.836 60.572 61.300 0.179 0.000 1.088 140 I CB 2.064 40.153 38.000 0.148 0.000 1.267 140 I HN 0.503 nan 8.210 nan 0.000 0.430 141 A N 5.079 128.005 122.820 0.175 0.000 2.515 141 A HA 0.846 5.154 4.320 -0.021 0.000 0.298 141 A C -1.411 176.248 177.584 0.125 0.000 1.059 141 A CA -0.551 51.569 52.037 0.138 0.000 0.698 141 A CB 1.969 21.039 19.000 0.116 0.000 1.289 141 A HN 0.393 nan 8.150 nan 0.000 0.404 142 V N 3.061 123.024 119.914 0.082 0.000 2.407 142 V HA 0.288 4.396 4.120 -0.021 0.000 0.291 142 V C 0.185 176.283 176.094 0.007 0.000 1.018 142 V CA -0.736 61.575 62.300 0.017 0.000 0.842 142 V CB 1.432 33.252 31.823 -0.005 0.000 0.996 142 V HN 0.949 nan 8.190 nan 0.000 0.426 143 K N 2.642 123.037 120.400 -0.008 0.000 2.286 143 K HA 0.228 4.536 4.320 -0.021 0.000 0.256 143 K C 0.617 177.213 176.600 -0.008 0.000 0.999 143 K CA -0.471 55.815 56.287 -0.003 0.000 0.908 143 K CB 0.717 33.213 32.500 -0.007 0.000 0.981 143 K HN 0.562 nan 8.250 nan 0.000 0.500 144 R N 0.433 120.933 120.500 -0.001 0.000 2.523 144 R HA -0.147 4.180 4.340 -0.021 0.000 0.281 144 R C 0.734 177.029 176.300 -0.008 0.000 0.969 144 R CA 1.388 57.488 56.100 -0.000 0.000 1.093 144 R CB -0.346 29.956 30.300 0.002 0.000 0.917 144 R HN 0.916 nan 8.270 nan 0.000 0.408 145 G N 2.719 111.515 108.800 -0.006 0.000 2.196 145 G HA2 -0.281 3.666 3.960 -0.021 0.000 0.268 145 G HA3 -0.281 3.666 3.960 -0.021 0.000 0.268 145 G C -0.133 174.750 174.900 -0.029 0.000 0.975 145 G CA 0.423 45.515 45.100 -0.013 0.000 0.648 145 G HN 0.596 nan 8.290 nan 0.000 0.538 146 Q N 0.010 119.787 119.800 -0.039 0.000 2.288 146 Q HA 0.517 4.845 4.340 -0.021 0.000 0.254 146 Q C 0.569 176.521 176.000 -0.080 0.000 0.932 146 Q CA 0.074 55.837 55.803 -0.066 0.000 0.902 146 Q CB 0.815 29.501 28.738 -0.087 0.000 1.203 146 Q HN 0.584 nan 8.270 nan 0.000 0.415 147 R N 2.688 123.135 120.500 -0.089 0.000 2.443 147 R HA 0.352 4.680 4.340 -0.021 0.000 0.287 147 R C -2.291 173.943 176.300 -0.109 0.000 1.425 147 R CA -1.673 54.375 56.100 -0.087 0.000 1.300 147 R CB 0.591 30.852 30.300 -0.063 0.000 1.129 147 R HN 0.355 nan 8.270 nan 0.000 0.577 148 P HA -0.089 nan 4.420 nan 0.000 0.264 148 P C 0.447 177.708 177.300 -0.065 0.000 1.179 148 P CA 0.267 63.238 63.100 -0.215 0.000 0.763 148 P CB 0.896 32.273 31.700 -0.539 0.000 0.806 149 A N 3.658 126.460 122.820 -0.031 0.000 2.014 149 A HA -0.055 4.252 4.320 -0.021 0.000 0.218 149 A C 0.683 178.292 177.584 0.041 0.000 1.163 149 A CA 1.279 53.318 52.037 0.004 0.000 0.652 149 A CB -0.236 18.764 19.000 0.001 0.000 0.808 149 A HN 0.527 nan 8.150 nan 0.000 0.449 150 K N 0.258 120.712 120.400 0.090 0.000 2.259 150 K HA 0.433 4.740 4.320 -0.021 0.000 0.249 150 K C -2.969 173.756 176.600 0.208 0.000 0.942 150 K CA -2.344 54.014 56.287 0.118 0.000 0.816 150 K CB 1.885 34.447 32.500 0.103 0.000 1.155 150 K HN 0.042 nan 8.250 nan 0.000 0.428 151 P HA 0.056 nan 4.420 nan 0.000 0.275 151 P C -0.880 176.414 177.300 -0.009 0.000 1.228 151 P CA -0.600 62.568 63.100 0.114 0.000 0.786 151 P CB 0.706 32.432 31.700 0.043 0.000 0.927 152 L N 3.862 124.975 121.223 -0.183 0.000 2.319 152 L HA 0.340 4.668 4.340 -0.021 0.000 0.280 152 L C -0.611 176.130 176.870 -0.215 0.000 1.099 152 L CA -0.433 54.133 54.840 -0.456 0.000 0.828 152 L CB 0.108 41.666 42.059 -0.836 0.000 1.150 152 L HN 0.237 nan 8.230 nan 0.000 0.442 153 L N 6.528 127.638 121.223 -0.188 0.000 2.319 153 L HA 0.529 4.856 4.340 -0.021 0.000 0.281 153 L C -1.399 175.372 176.870 -0.166 0.000 1.005 153 L CA -0.217 54.537 54.840 -0.143 0.000 0.828 153 L CB 1.265 43.258 42.059 -0.111 0.000 1.227 153 L HN 0.545 nan 8.230 nan 0.000 0.415 154 L N 6.163 127.258 121.223 -0.214 0.000 2.264 154 L HA 0.483 4.811 4.340 -0.021 0.000 0.287 154 L C -0.031 176.583 176.870 -0.426 0.000 1.039 154 L CA -0.141 54.509 54.840 -0.316 0.000 0.829 154 L CB 1.166 42.859 42.059 -0.610 0.000 1.211 154 L HN 0.692 nan 8.230 nan 0.000 0.427 155 M N 4.173 123.589 119.600 -0.307 0.000 2.157 155 M HA 0.343 4.811 4.480 -0.021 0.000 0.354 155 M C -0.954 175.073 176.300 -0.455 0.000 1.170 155 M CA -0.233 54.889 55.300 -0.296 0.000 1.060 155 M CB 0.588 33.119 32.600 -0.116 0.000 1.615 155 M HN 0.513 nan 8.290 nan 0.000 0.460 156 H N 6.796 125.611 119.070 -0.425 0.000 2.511 156 H HA 0.450 4.994 4.556 -0.021 0.000 0.328 156 H C -1.068 174.122 175.328 -0.229 0.000 1.044 156 H CA -0.463 55.307 56.048 -0.464 0.000 1.212 156 H CB 1.145 30.344 29.762 -0.938 0.000 1.428 156 H HN 0.676 nan 8.280 nan 0.000 0.483 157 I N 3.305 123.881 120.570 0.009 0.000 2.382 157 I HA 0.178 4.335 4.170 -0.021 0.000 0.286 157 I C -0.103 176.062 176.117 0.080 0.000 1.002 157 I CA -0.286 61.032 61.300 0.029 0.000 1.135 157 I CB 1.699 39.705 38.000 0.009 0.000 1.288 157 I HN 0.404 nan 8.210 nan 0.000 0.448 158 T N 5.544 120.103 114.554 0.008 0.000 2.863 158 T HA 0.528 4.865 4.350 -0.021 0.000 0.285 158 T C -0.692 173.861 174.700 -0.244 0.000 1.009 158 T CA -0.801 61.218 62.100 -0.136 0.000 0.989 158 T CB 1.921 70.578 68.868 -0.352 0.000 1.004 158 T HN 0.650 nan 8.240 nan 0.000 0.455 159 Q N 0.848 120.575 119.800 -0.122 0.000 2.451 159 Q HA 0.792 5.119 4.340 -0.021 0.000 0.281 159 Q C -0.377 175.696 176.000 0.122 0.000 1.099 159 Q CA -1.353 54.466 55.803 0.027 0.000 0.806 159 Q CB 1.903 30.677 28.738 0.059 0.000 1.419 159 Q HN 0.719 nan 8.270 nan 0.000 0.427 160 G N 0.272 109.200 108.800 0.214 0.000 2.511 160 G HA2 0.588 4.536 3.960 -0.021 0.000 0.316 160 G HA3 0.588 4.536 3.960 -0.021 0.000 0.316 160 G C -0.431 174.552 174.900 0.138 0.000 1.210 160 G CA -0.399 44.831 45.100 0.216 0.000 0.969 160 G HN 0.789 nan 8.290 nan 0.000 0.492 161 V N -2.463 117.521 119.914 0.117 0.000 2.919 161 V HA 0.874 4.981 4.120 -0.021 0.000 0.316 161 V C 0.560 176.695 176.094 0.069 0.000 1.077 161 V CA -0.866 61.485 62.300 0.085 0.000 0.977 161 V CB 1.115 32.985 31.823 0.079 0.000 1.039 161 V HN 1.331 nan 8.190 nan 0.000 0.441 162 A N 1.672 124.525 122.820 0.056 0.000 2.483 162 A HA 0.735 5.042 4.320 -0.021 0.000 0.238 162 A C 1.048 178.653 177.584 0.035 0.000 1.070 162 A CA 0.823 52.886 52.037 0.044 0.000 0.770 162 A CB -0.514 18.508 19.000 0.038 0.000 1.008 162 A HN 2.956 nan 8.150 nan 0.000 0.497 163 G N 0.947 109.763 108.800 0.027 0.000 2.447 163 G HA2 0.022 3.970 3.960 -0.021 0.000 0.220 163 G HA3 0.022 3.970 3.960 -0.021 0.000 0.220 163 G C -0.120 174.784 174.900 0.007 0.000 1.261 163 G CA 0.254 45.364 45.100 0.016 0.000 1.000 163 G HN 0.717 nan 8.290 nan 0.000 0.515 164 E N 0.861 121.055 120.200 -0.009 0.000 2.481 164 E HA 0.254 4.591 4.350 -0.021 0.000 0.198 164 E C 0.785 177.348 176.600 -0.061 0.000 1.027 164 E CA 0.280 56.661 56.400 -0.031 0.000 0.900 164 E CB 0.382 30.059 29.700 -0.038 0.000 0.993 164 E HN 0.559 nan 8.360 nan 0.000 0.482 165 E N 0.184 120.360 120.200 -0.040 0.000 2.354 165 E HA 0.221 4.558 4.350 -0.021 0.000 0.269 165 E C -0.650 175.921 176.600 -0.048 0.000 1.036 165 E CA -0.279 56.086 56.400 -0.058 0.000 0.876 165 E CB 1.749 31.448 29.700 -0.002 0.000 1.009 165 E HN -0.163 nan 8.360 nan 0.000 0.416 166 V N 3.623 123.464 119.914 -0.122 0.000 2.311 166 V HA 0.089 4.196 4.120 -0.021 0.000 0.275 166 V C 0.253 176.463 176.094 0.193 0.000 1.022 166 V CA -0.643 61.641 62.300 -0.027 0.000 0.830 166 V CB 0.726 32.397 31.823 -0.254 0.000 1.012 166 V HN 0.638 nan 8.190 nan 0.000 0.452 167 N N 2.856 121.693 118.700 0.229 0.000 2.492 167 N HA 0.169 4.897 4.740 -0.021 0.000 0.262 167 N C -0.393 175.326 175.510 0.347 0.000 1.202 167 N CA 0.170 53.374 53.050 0.257 0.000 0.926 167 N CB 0.740 39.344 38.487 0.194 0.000 1.078 167 N HN 0.662 nan 8.380 nan 0.000 0.454 168 T N 1.360 116.102 114.554 0.313 0.000 2.886 168 T HA 0.654 4.992 4.350 -0.021 0.000 0.292 168 T C -1.559 173.116 174.700 -0.042 0.000 1.012 168 T CA -0.491 61.736 62.100 0.211 0.000 0.982 168 T CB 1.130 70.258 68.868 0.434 0.000 1.018 168 T HN 0.586 nan 8.240 nan 0.000 0.451 169 A N 4.012 126.629 122.820 -0.338 0.000 2.393 169 A HA 0.754 5.061 4.320 -0.021 0.000 0.306 169 A C -1.242 175.754 177.584 -0.980 0.000 1.050 169 A CA -0.664 51.073 52.037 -0.499 0.000 0.724 169 A CB 1.131 19.884 19.000 -0.412 0.000 1.248 169 A HN 0.908 nan 8.150 nan 0.000 0.424 170 H N 1.367 120.050 119.070 -0.646 0.000 2.589 170 H HA 0.412 4.956 4.556 -0.021 0.000 0.335 170 H C -1.586 173.372 175.328 -0.615 0.000 1.019 170 H CA 0.076 55.782 56.048 -0.569 0.000 1.213 170 H CB 1.381 30.910 29.762 -0.389 0.000 1.472 170 H HN 0.647 nan 8.280 nan 0.000 0.508 171 Y N 1.571 121.800 120.300 -0.120 0.000 2.360 171 Y HA 0.422 4.960 4.550 -0.019 0.000 0.337 171 Y C 0.540 176.199 175.900 -0.402 0.000 1.039 171 Y CA -0.842 57.109 58.100 -0.248 0.000 1.109 171 Y CB 1.521 39.884 38.460 -0.161 0.000 1.201 171 Y HN 0.422 nan 8.280 nan 0.000 0.458 172 R N 2.629 122.845 120.500 -0.473 0.000 2.514 172 R HA 0.478 4.806 4.340 -0.021 0.000 0.296 172 R C -1.993 173.928 176.300 -0.631 0.000 1.012 172 R CA -0.511 55.336 56.100 -0.422 0.000 0.897 172 R CB 0.522 30.698 30.300 -0.207 0.000 1.184 172 R HN 0.721 nan 8.270 nan 0.000 0.440 173 H N 2.353 121.363 119.070 -0.099 0.000 2.806 173 H HA 0.338 4.882 4.556 -0.018 0.000 0.367 173 H C -1.122 174.302 175.328 0.160 0.000 1.136 173 H CA -0.714 55.226 56.048 -0.181 0.000 1.178 173 H CB 2.034 31.377 29.762 -0.699 0.000 1.718 173 H HN 0.661 nan 8.280 nan 0.000 0.540 174 H N 1.569 120.773 119.070 0.224 0.000 2.667 174 H HA 0.438 4.983 4.556 -0.019 0.000 0.353 174 H C -1.643 173.889 175.328 0.340 0.000 1.072 174 H CA -0.776 55.456 56.048 0.306 0.000 1.214 174 H CB 1.286 31.151 29.762 0.172 0.000 1.600 174 H HN 0.388 nan 8.280 nan 0.000 0.527 175 L N 4.397 125.411 121.223 -0.349 0.000 2.333 175 L HA 0.462 4.789 4.340 -0.021 0.000 0.280 175 L C -1.297 175.363 176.870 -0.350 0.000 1.004 175 L CA -0.348 54.394 54.840 -0.163 0.000 0.820 175 L CB 1.762 43.857 42.059 0.060 0.000 1.247 175 L HN 0.684 nan 8.230 nan 0.000 0.416 176 D N 6.233 126.582 120.400 -0.084 0.000 2.414 176 D HA 0.344 4.972 4.640 -0.021 0.000 0.232 176 D C -0.738 175.581 176.300 0.032 0.000 1.070 176 D CA -0.017 53.987 54.000 0.008 0.000 0.839 176 D CB 2.032 42.907 40.800 0.125 0.000 1.079 176 D HN 0.501 nan 8.370 nan 0.000 0.521 177 L N 2.511 123.742 121.223 0.013 0.000 2.272 177 L HA 0.426 4.753 4.340 -0.021 0.000 0.284 177 L C 0.921 177.802 176.870 0.019 0.000 1.045 177 L CA -0.593 54.259 54.840 0.020 0.000 0.842 177 L CB 1.173 43.236 42.059 0.006 0.000 1.224 177 L HN 0.307 nan 8.230 nan 0.000 0.430 178 A N 3.244 126.079 122.820 0.025 0.000 2.346 178 A HA 0.072 4.380 4.320 -0.021 0.000 0.255 178 A C 0.419 178.012 177.584 0.015 0.000 1.113 178 A CA -0.260 51.790 52.037 0.022 0.000 0.798 178 A CB 0.192 19.204 19.000 0.021 0.000 1.073 178 A HN 0.757 nan 8.150 nan 0.000 0.502 179 E N -0.530 119.678 120.200 0.013 0.000 2.558 179 E HA 0.271 4.608 4.350 -0.021 0.000 0.255 179 E C 1.266 177.877 176.600 0.018 0.000 0.968 179 E CA 1.101 57.509 56.400 0.013 0.000 0.939 179 E CB -0.193 29.513 29.700 0.010 0.000 0.921 179 E HN 1.437 nan 8.360 nan 0.000 0.477 180 G N 2.604 111.424 108.800 0.034 0.000 2.212 180 G HA2 -0.354 3.593 3.960 -0.021 0.000 0.266 180 G HA3 -0.354 3.593 3.960 -0.021 0.000 0.266 180 G C 0.329 175.255 174.900 0.042 0.000 0.978 180 G CA 0.161 45.289 45.100 0.046 0.000 0.632 180 G HN 0.889 nan 8.290 nan 0.000 0.537 181 A N 0.071 122.910 122.820 0.032 0.000 2.407 181 A HA 0.616 4.924 4.320 -0.021 0.000 0.248 181 A C 0.317 177.927 177.584 0.043 0.000 1.082 181 A CA 0.510 52.557 52.037 0.016 0.000 0.785 181 A CB 0.304 19.309 19.000 0.008 0.000 1.020 181 A HN 0.550 nan 8.150 nan 0.000 0.489 182 E N 0.259 120.468 120.200 0.016 0.000 2.281 182 E HA 0.564 4.901 4.350 -0.021 0.000 0.266 182 E C -0.868 175.746 176.600 0.023 0.000 0.893 182 E CA -0.473 55.946 56.400 0.032 0.000 0.798 182 E CB 2.014 31.699 29.700 -0.025 0.000 1.245 182 E HN 0.875 nan 8.360 nan 0.000 0.410 183 A N 2.058 124.918 122.820 0.066 0.000 2.587 183 A HA 0.778 5.085 4.320 -0.021 0.000 0.293 183 A C -0.837 176.832 177.584 0.142 0.000 1.087 183 A CA -0.677 51.430 52.037 0.118 0.000 0.692 183 A CB 2.130 21.247 19.000 0.195 0.000 1.291 183 A HN 0.361 nan 8.150 nan 0.000 0.407 184 T N 0.803 115.463 114.554 0.176 0.000 2.792 184 T HA 0.580 4.918 4.350 -0.021 0.000 0.280 184 T C -1.095 173.693 174.700 0.146 0.000 0.990 184 T CA -0.371 61.817 62.100 0.146 0.000 0.960 184 T CB 1.231 70.166 68.868 0.111 0.000 0.939 184 T HN 1.265 nan 8.240 nan 0.000 0.439 185 V N 5.340 125.334 119.914 0.133 0.000 2.656 185 V HA 0.719 4.827 4.120 -0.021 0.000 0.307 185 V C -1.435 174.707 176.094 0.080 0.000 1.051 185 V CA -0.913 61.463 62.300 0.127 0.000 0.893 185 V CB 1.363 33.347 31.823 0.268 0.000 0.999 185 V HN 0.859 nan 8.190 nan 0.000 0.426 186 I N 6.063 126.646 120.570 0.021 0.000 2.465 186 I HA 0.518 4.676 4.170 -0.021 0.000 0.291 186 I C -0.503 175.602 176.117 -0.021 0.000 1.014 186 I CA -0.536 60.742 61.300 -0.037 0.000 1.093 186 I CB 2.108 40.060 38.000 -0.080 0.000 1.267 186 I HN 0.693 nan 8.210 nan 0.000 0.431 187 E N 5.347 125.563 120.200 0.027 0.000 2.145 187 E HA 0.395 4.733 4.350 -0.021 0.000 0.270 187 E C -0.999 175.597 176.600 -0.008 0.000 0.906 187 E CA -0.729 55.681 56.400 0.017 0.000 0.761 187 E CB 2.041 31.889 29.700 0.246 0.000 1.116 187 E HN 0.585 nan 8.360 nan 0.000 0.408 188 H N 3.852 122.757 119.070 -0.275 0.000 2.505 188 H HA 0.346 4.890 4.556 -0.020 0.000 0.338 188 H C -1.510 173.630 175.328 -0.314 0.000 1.057 188 H CA -1.027 54.866 56.048 -0.259 0.000 1.202 188 H CB 0.740 30.364 29.762 -0.231 0.000 1.466 188 H HN 0.443 nan 8.280 nan 0.000 0.499 189 F N 4.859 124.705 119.950 -0.172 0.000 2.482 189 F HA 0.382 4.897 4.527 -0.020 0.000 0.331 189 F C -0.253 175.437 175.800 -0.183 0.000 1.115 189 F CA -0.719 57.204 58.000 -0.129 0.000 0.955 189 F CB 1.825 40.836 39.000 0.017 0.000 1.136 189 F HN 0.303 nan 8.300 nan 0.000 0.452 190 V N -1.222 118.705 119.914 0.022 0.000 3.159 190 V HA 0.765 4.873 4.120 -0.021 0.000 0.308 190 V C -0.652 175.537 176.094 0.159 0.000 1.190 190 V CA -0.962 61.380 62.300 0.071 0.000 1.037 190 V CB 1.702 33.487 31.823 -0.063 0.000 1.060 190 V HN 0.589 nan 8.190 nan 0.000 0.437 191 S N 1.689 117.519 115.700 0.217 0.000 2.489 191 S HA 0.528 4.986 4.470 -0.021 0.000 0.291 191 S C 0.568 175.258 174.600 0.151 0.000 1.151 191 S CA -0.402 57.953 58.200 0.259 0.000 1.082 191 S CB 1.488 64.911 63.200 0.372 0.000 1.019 191 S HN 0.995 nan 8.310 nan 0.000 0.492 192 L N 3.126 124.416 121.223 0.113 0.000 2.083 192 L HA -0.002 4.326 4.340 -0.021 0.000 0.209 192 L C 0.526 177.454 176.870 0.096 0.000 1.083 192 L CA 1.995 56.886 54.840 0.085 0.000 0.752 192 L CB -0.690 41.408 42.059 0.065 0.000 0.899 192 L HN 0.906 nan 8.230 nan 0.000 0.433 193 N N -4.297 114.477 118.700 0.123 0.000 3.587 193 N HA 0.181 4.908 4.740 -0.021 0.000 0.339 193 N C -0.033 175.554 175.510 0.128 0.000 1.636 193 N CA -0.126 52.990 53.050 0.110 0.000 0.788 193 N CB -0.334 38.207 38.487 0.090 0.000 2.205 193 N HN -0.251 nan 8.380 nan 0.000 0.600 194 D N -0.457 120.006 120.400 0.104 0.000 2.347 194 D HA 0.231 4.859 4.640 -0.021 0.000 0.213 194 D C 0.096 176.460 176.300 0.107 0.000 0.985 194 D CA 0.426 54.484 54.000 0.098 0.000 0.879 194 D CB -0.406 40.438 40.800 0.073 0.000 0.919 194 D HN 0.695 nan 8.370 nan 0.000 0.526 195 A N 1.620 124.515 122.820 0.124 0.000 2.488 195 A HA 0.213 4.521 4.320 -0.021 0.000 0.249 195 A C 0.714 178.399 177.584 0.168 0.000 1.083 195 A CA -0.399 51.716 52.037 0.130 0.000 0.768 195 A CB 0.006 19.084 19.000 0.129 0.000 1.017 195 A HN 0.216 nan 8.150 nan 0.000 0.496 196 R N 2.040 122.614 120.500 0.122 0.000 2.694 196 R HA 0.482 4.810 4.340 -0.021 0.000 0.268 196 R C -0.294 176.117 176.300 0.185 0.000 1.061 196 R CA 0.315 56.471 56.100 0.094 0.000 1.133 196 R CB 0.191 30.546 30.300 0.091 0.000 1.020 196 R HN 0.997 nan 8.270 nan 0.000 0.475 197 H N -1.029 118.181 119.070 0.233 0.000 3.017 197 H HA 0.446 4.990 4.556 -0.021 0.000 0.346 197 H C -1.939 173.627 175.328 0.396 0.000 1.286 197 H CA -1.302 54.906 56.048 0.266 0.000 1.120 197 H CB 0.953 30.844 29.762 0.216 0.000 1.860 197 H HN 0.565 nan 8.280 nan 0.000 0.542 198 F N 2.002 122.186 119.950 0.391 0.000 2.382 198 F HA 0.543 5.058 4.527 -0.020 0.000 0.361 198 F C -0.947 174.971 175.800 0.198 0.000 1.109 198 F CA -0.648 57.545 58.000 0.322 0.000 1.031 198 F CB 1.284 40.510 39.000 0.377 0.000 1.234 198 F HN 0.717 nan 8.300 nan 0.000 0.445 199 T N 4.683 119.288 114.554 0.085 0.000 2.799 199 T HA 0.683 5.020 4.350 -0.021 0.000 0.286 199 T C 0.160 174.453 174.700 -0.679 0.000 0.973 199 T CA -0.479 61.469 62.100 -0.253 0.000 1.035 199 T CB 1.206 70.137 68.868 0.105 0.000 0.932 199 T HN 0.842 nan 8.240 nan 0.000 0.469 200 G N 0.775 109.056 108.800 -0.865 0.000 2.542 200 G HA2 0.733 4.681 3.960 -0.021 0.000 0.311 200 G HA3 0.733 4.681 3.960 -0.021 0.000 0.311 200 G C -1.368 173.379 174.900 -0.254 0.000 1.298 200 G CA -0.807 43.958 45.100 -0.560 0.000 0.973 200 G HN 0.972 nan 8.290 nan 0.000 0.487 201 A N 1.758 124.494 122.820 -0.140 0.000 2.549 201 A HA 0.928 5.235 4.320 -0.021 0.000 0.297 201 A C -0.701 176.926 177.584 0.071 0.000 1.061 201 A CA -0.869 51.176 52.037 0.014 0.000 0.690 201 A CB 2.073 21.095 19.000 0.037 0.000 1.287 201 A HN 0.974 nan 8.150 nan 0.000 0.402 202 R N 1.376 121.934 120.500 0.097 0.000 2.549 202 R HA 0.508 4.835 4.340 -0.021 0.000 0.291 202 R C -2.398 174.039 176.300 0.228 0.000 1.164 202 R CA -0.384 55.794 56.100 0.129 0.000 0.973 202 R CB 0.967 31.278 30.300 0.018 0.000 1.210 202 R HN 0.642 nan 8.270 nan 0.000 0.422 203 F N 4.690 124.720 119.950 0.134 0.000 2.403 203 F HA 0.422 4.934 4.527 -0.024 0.000 0.355 203 F C -0.588 175.267 175.800 0.092 0.000 1.119 203 F CA -0.803 57.292 58.000 0.158 0.000 1.007 203 F CB 1.572 40.706 39.000 0.224 0.000 1.194 203 F HN 0.544 nan 8.300 nan 0.000 0.443 204 T N 4.745 119.558 114.554 0.431 0.000 2.867 204 T HA 0.845 5.183 4.350 -0.021 0.000 0.282 204 T C -0.350 174.370 174.700 0.033 0.000 1.000 204 T CA -0.633 61.600 62.100 0.222 0.000 1.042 204 T CB 1.878 70.953 68.868 0.344 0.000 0.973 204 T HN 0.423 nan 8.240 nan 0.000 0.465 205 I N 2.390 122.891 120.570 -0.115 0.000 2.607 205 I HA 0.388 4.545 4.170 -0.021 0.000 0.290 205 I C -0.662 175.394 176.117 -0.101 0.000 1.129 205 I CA -0.943 60.204 61.300 -0.255 0.000 1.042 205 I CB 2.281 40.056 38.000 -0.377 0.000 1.242 205 I HN 0.605 nan 8.210 nan 0.000 0.421 206 N N 5.040 123.690 118.700 -0.083 0.000 2.417 206 N HA 0.465 5.193 4.740 -0.021 0.000 0.274 206 N C -1.396 174.100 175.510 -0.022 0.000 0.987 206 N CA -0.267 52.792 53.050 0.016 0.000 0.912 206 N CB 2.407 40.967 38.487 0.122 0.000 1.177 206 N HN 0.262 nan 8.380 nan 0.000 0.490 207 V N 2.831 122.728 119.914 -0.029 0.000 2.313 207 V HA 0.475 4.582 4.120 -0.021 0.000 0.278 207 V C 0.707 176.783 176.094 -0.031 0.000 1.017 207 V CA -0.905 61.369 62.300 -0.043 0.000 0.823 207 V CB 0.667 32.444 31.823 -0.077 0.000 1.010 207 V HN 0.749 nan 8.190 nan 0.000 0.443 208 A N 4.147 126.956 122.820 -0.017 0.000 2.292 208 A HA 0.786 5.094 4.320 -0.021 0.000 0.265 208 A C 0.921 178.489 177.584 -0.026 0.000 1.133 208 A CA 0.190 52.221 52.037 -0.010 0.000 0.807 208 A CB 0.242 19.246 19.000 0.006 0.000 1.102 208 A HN 1.380 nan 8.150 nan 0.000 0.502 209 A N -0.143 122.667 122.820 -0.017 0.000 2.567 209 A HA 0.362 4.669 4.320 -0.021 0.000 0.240 209 A C 0.768 178.339 177.584 -0.021 0.000 1.053 209 A CA 0.727 52.750 52.037 -0.023 0.000 0.755 209 A CB -0.989 18.005 19.000 -0.010 0.000 0.978 209 A HN 1.327 nan 8.150 nan 0.000 0.507 210 N N -1.304 117.371 118.700 -0.041 0.000 2.778 210 N HA -0.201 4.526 4.740 -0.021 0.000 0.249 210 N C 0.127 175.654 175.510 0.028 0.000 1.069 210 N CA 1.051 54.096 53.050 -0.008 0.000 0.831 210 N CB -1.529 36.984 38.487 0.043 0.000 1.142 210 N HN 1.176 nan 8.380 nan 0.000 0.573 211 A N 0.115 122.907 122.820 -0.047 0.000 2.302 211 A HA 0.563 4.871 4.320 -0.021 0.000 0.285 211 A C -0.269 177.231 177.584 -0.140 0.000 1.105 211 A CA -0.099 51.943 52.037 0.009 0.000 0.816 211 A CB 0.555 19.545 19.000 -0.017 0.000 1.067 211 A HN 0.361 nan 8.150 nan 0.000 0.489 212 H N 0.782 119.801 119.070 -0.085 0.000 2.744 212 H HA 0.448 4.997 4.556 -0.011 0.000 0.339 212 H C -1.528 173.728 175.328 -0.120 0.000 1.004 212 H CA -0.537 55.427 56.048 -0.140 0.000 1.257 212 H CB 1.732 31.409 29.762 -0.140 0.000 1.552 212 H HN 0.533 nan 8.280 nan 0.000 0.522 213 L N 2.834 124.004 121.223 -0.087 0.000 2.329 213 L HA 0.318 4.646 4.340 -0.021 0.000 0.279 213 L C -0.671 176.190 176.870 -0.015 0.000 1.014 213 L CA -0.449 54.369 54.840 -0.037 0.000 0.814 213 L CB 1.762 43.788 42.059 -0.055 0.000 1.257 213 L HN 0.498 nan 8.230 nan 0.000 0.424 214 Q N 4.829 124.688 119.800 0.098 0.000 2.401 214 Q HA 0.262 4.590 4.340 -0.021 0.000 0.260 214 Q C -1.628 174.506 176.000 0.223 0.000 1.034 214 Q CA -0.266 55.663 55.803 0.210 0.000 0.737 214 Q CB 0.768 29.626 28.738 0.200 0.000 1.227 214 Q HN 0.778 nan 8.270 nan 0.000 0.488 215 H N 4.271 123.433 119.070 0.153 0.000 2.459 215 H HA 0.518 5.061 4.556 -0.022 0.000 0.332 215 H C -1.152 174.303 175.328 0.212 0.000 1.094 215 H CA -0.577 55.542 56.048 0.119 0.000 1.224 215 H CB 0.892 30.656 29.762 0.003 0.000 1.449 215 H HN 0.399 nan 8.280 nan 0.000 0.484 216 I N 4.392 124.658 120.570 -0.507 0.000 2.498 216 I HA 0.257 4.414 4.170 -0.021 0.000 0.290 216 I C -0.406 175.493 176.117 -0.364 0.000 1.032 216 I CA -0.486 60.663 61.300 -0.251 0.000 1.073 216 I CB 2.039 40.029 38.000 -0.018 0.000 1.251 216 I HN 0.470 nan 8.210 nan 0.000 0.426 217 K N 6.645 126.982 120.400 -0.105 0.000 2.376 217 K HA 0.736 5.043 4.320 -0.021 0.000 0.257 217 K C -1.749 174.910 176.600 0.099 0.000 0.939 217 K CA -0.484 55.836 56.287 0.054 0.000 0.809 217 K CB 1.205 33.804 32.500 0.165 0.000 1.121 217 K HN 0.631 nan 8.250 nan 0.000 0.425 218 L N 4.040 125.273 121.223 0.015 0.000 2.366 218 L HA 0.467 4.795 4.340 -0.021 0.000 0.266 218 L C -0.433 176.309 176.870 -0.213 0.000 1.010 218 L CA -0.835 53.828 54.840 -0.294 0.000 0.879 218 L CB 1.701 43.287 42.059 -0.789 0.000 1.228 218 L HN 0.706 nan 8.230 nan 0.000 0.439 219 A N 3.867 126.714 122.820 0.045 0.000 2.506 219 A HA 0.538 4.846 4.320 -0.021 0.000 0.320 219 A C -0.043 177.814 177.584 0.454 0.000 1.424 219 A CA -0.107 51.974 52.037 0.074 0.000 1.044 219 A CB -0.473 18.328 19.000 -0.331 0.000 1.140 219 A HN 0.735 nan 8.150 nan 0.000 0.538 220 F N 1.551 121.590 119.950 0.149 0.000 2.928 220 F HA 0.168 4.683 4.527 -0.020 0.000 0.337 220 F C 0.628 176.501 175.800 0.121 0.000 1.259 220 F CA -0.542 57.537 58.000 0.130 0.000 1.267 220 F CB 0.425 39.535 39.000 0.184 0.000 0.986 220 F HN 0.607 nan 8.300 nan 0.000 0.507 221 E N 0.921 121.298 120.200 0.295 0.000 2.369 221 E HA 0.057 4.395 4.350 -0.021 0.000 0.255 221 E C 0.042 176.753 176.600 0.186 0.000 1.172 221 E CA -0.699 55.862 56.400 0.268 0.000 0.932 221 E CB 0.605 30.498 29.700 0.322 0.000 1.040 221 E HN 0.323 nan 8.360 nan 0.000 0.454 222 N N 0.585 119.390 118.700 0.175 0.000 2.297 222 N HA -0.020 4.707 4.740 -0.021 0.000 0.232 222 N C -2.249 173.299 175.510 0.064 0.000 1.311 222 N CA -0.935 52.181 53.050 0.111 0.000 0.897 222 N CB -0.095 38.463 38.487 0.117 0.000 1.137 222 N HN 0.059 nan 8.380 nan 0.000 0.449 223 P HA -0.033 nan 4.420 nan 0.000 0.225 223 P C 0.540 177.856 177.300 0.027 0.000 1.148 223 P CA 1.108 64.228 63.100 0.034 0.000 0.779 223 P CB 0.150 31.870 31.700 0.034 0.000 0.780 224 L N -2.706 118.536 121.223 0.032 0.000 2.640 224 L HA 0.163 4.490 4.340 -0.021 0.000 0.230 224 L C 0.775 177.678 176.870 0.055 0.000 1.123 224 L CA 0.060 54.926 54.840 0.044 0.000 0.900 224 L CB 0.000 42.093 42.059 0.057 0.000 1.146 224 L HN -0.167 nan 8.230 nan 0.000 0.484 225 S N -1.462 114.231 115.700 -0.013 0.000 2.669 225 S HA 0.367 4.824 4.470 -0.021 0.000 0.270 225 S C -0.269 174.411 174.600 0.134 0.000 1.225 225 S CA -0.417 57.763 58.200 -0.033 0.000 0.991 225 S CB 0.829 63.732 63.200 -0.495 0.000 0.987 225 S HN 0.159 nan 8.310 nan 0.000 0.552 226 H N 0.720 119.921 119.070 0.218 0.000 2.466 226 H HA 0.311 4.854 4.556 -0.021 0.000 0.338 226 H C -0.950 174.729 175.328 0.584 0.000 1.091 226 H CA -0.260 56.058 56.048 0.450 0.000 1.207 226 H CB 1.283 31.321 29.762 0.461 0.000 1.466 226 H HN 0.653 nan 8.280 nan 0.000 0.493 227 H N 3.337 122.689 119.070 0.470 0.000 2.800 227 H HA 0.268 4.811 4.556 -0.021 0.000 0.322 227 H C -1.602 173.837 175.328 0.184 0.000 0.979 227 H CA -0.532 55.675 56.048 0.265 0.000 1.277 227 H CB 0.298 30.067 29.762 0.013 0.000 1.484 227 H HN 0.323 nan 8.280 nan 0.000 0.512 228 F N 3.922 123.811 119.950 -0.102 0.000 2.445 228 F HA 0.671 5.185 4.527 -0.021 0.000 0.348 228 F C -0.202 175.523 175.800 -0.125 0.000 1.125 228 F CA -0.454 57.511 58.000 -0.058 0.000 0.983 228 F CB 1.523 40.475 39.000 -0.080 0.000 1.198 228 F HN 0.628 nan 8.300 nan 0.000 0.436 229 A N 2.390 125.229 122.820 0.032 0.000 2.469 229 A HA 0.811 5.118 4.320 -0.021 0.000 0.299 229 A C -1.750 175.838 177.584 0.006 0.000 1.098 229 A CA -0.507 51.557 52.037 0.046 0.000 0.737 229 A CB 1.722 20.810 19.000 0.146 0.000 1.312 229 A HN 0.690 nan 8.150 nan 0.000 0.414 230 H N 1.770 120.805 119.070 -0.059 0.000 3.277 230 H HA 0.358 4.901 4.556 -0.021 0.000 0.329 230 H C -1.407 173.879 175.328 -0.070 0.000 1.034 230 H CA -0.610 55.359 56.048 -0.132 0.000 1.530 230 H CB 0.849 30.552 29.762 -0.098 0.000 1.837 230 H HN 0.688 nan 8.280 nan 0.000 0.493 231 N N 2.736 121.508 118.700 0.119 0.000 2.456 231 N HA 0.278 5.006 4.740 -0.021 0.000 0.296 231 N C -0.830 174.740 175.510 0.101 0.000 1.102 231 N CA -0.424 52.703 53.050 0.129 0.000 0.924 231 N CB 1.492 40.034 38.487 0.091 0.000 1.186 231 N HN 0.496 nan 8.380 nan 0.000 0.492 232 D N 0.469 120.894 120.400 0.042 0.000 2.481 232 D HA 0.515 5.143 4.640 -0.021 0.000 0.244 232 D C -0.590 175.685 176.300 -0.042 0.000 1.057 232 D CA -0.282 53.727 54.000 0.015 0.000 0.848 232 D CB 1.649 42.457 40.800 0.013 0.000 1.388 232 D HN 0.191 nan 8.370 nan 0.000 0.475 233 L N 2.098 123.302 121.223 -0.033 0.000 2.376 233 L HA 0.491 4.819 4.340 -0.021 0.000 0.275 233 L C -0.930 175.928 176.870 -0.019 0.000 0.987 233 L CA -0.684 54.120 54.840 -0.060 0.000 0.828 233 L CB 1.493 43.509 42.059 -0.073 0.000 1.249 233 L HN 0.152 nan 8.230 nan 0.000 0.409 234 L N 4.845 126.060 121.223 -0.014 0.000 2.319 234 L HA 0.529 4.856 4.340 -0.021 0.000 0.281 234 L C -1.002 175.861 176.870 -0.012 0.000 1.005 234 L CA -0.588 54.255 54.840 0.005 0.000 0.828 234 L CB 1.900 43.979 42.059 0.032 0.000 1.227 234 L HN 0.395 nan 8.230 nan 0.000 0.415 235 L N 2.952 124.164 121.223 -0.018 0.000 2.329 235 L HA 0.730 5.057 4.340 -0.021 0.000 0.279 235 L C 0.448 177.307 176.870 -0.017 0.000 1.014 235 L CA 0.137 54.957 54.840 -0.032 0.000 0.814 235 L CB 1.738 43.766 42.059 -0.052 0.000 1.257 235 L HN 0.653 nan 8.230 nan 0.000 0.424 236 A N 2.299 125.108 122.820 -0.019 0.000 2.621 236 A HA 0.646 4.954 4.320 -0.021 0.000 0.267 236 A C -0.102 177.474 177.584 -0.012 0.000 1.506 236 A CA -0.377 51.656 52.037 -0.006 0.000 0.873 236 A CB 0.200 19.197 19.000 -0.004 0.000 1.577 236 A HN 0.664 nan 8.150 nan 0.000 0.536 237 E N 0.194 120.391 120.200 -0.005 0.000 2.373 237 E HA 0.097 4.435 4.350 -0.021 0.000 0.263 237 E C -1.030 175.556 176.600 -0.024 0.000 1.073 237 E CA 0.130 56.528 56.400 -0.004 0.000 0.894 237 E CB 0.271 29.972 29.700 0.001 0.000 1.008 237 E HN 0.553 nan 8.360 nan 0.000 0.420 238 D N -0.490 119.896 120.400 -0.023 0.000 2.811 238 D HA -0.190 4.437 4.640 -0.021 0.000 0.231 238 D C -0.355 175.883 176.300 -0.103 0.000 1.157 238 D CA 1.389 55.364 54.000 -0.042 0.000 0.716 238 D CB -1.322 39.462 40.800 -0.027 0.000 1.077 238 D HN 0.650 nan 8.370 nan 0.000 0.428 239 A N -0.286 122.463 122.820 -0.119 0.000 2.294 239 A HA 0.713 5.020 4.320 -0.021 0.000 0.330 239 A C 0.423 177.850 177.584 -0.263 0.000 1.133 239 A CA -0.128 51.789 52.037 -0.200 0.000 0.836 239 A CB 1.456 20.377 19.000 -0.131 0.000 1.190 239 A HN 0.013 nan 8.150 nan 0.000 0.492 240 T N 0.758 115.061 114.554 -0.419 0.000 2.881 240 T HA 0.684 5.022 4.350 -0.021 0.000 0.290 240 T C -0.663 173.787 174.700 -0.417 0.000 1.000 240 T CA 0.133 61.972 62.100 -0.435 0.000 0.978 240 T CB 1.530 70.025 68.868 -0.622 0.000 0.997 240 T HN 1.398 nan 8.240 nan 0.000 0.443 241 A N 3.366 125.990 122.820 -0.328 0.000 2.408 241 A HA 0.818 5.126 4.320 -0.021 0.000 0.295 241 A C -1.248 176.346 177.584 0.018 0.000 1.040 241 A CA -0.715 51.192 52.037 -0.217 0.000 0.707 241 A CB 0.970 19.909 19.000 -0.102 0.000 1.235 241 A HN 0.815 nan 8.150 nan 0.000 0.418 242 F N 1.582 121.525 119.950 -0.010 0.000 2.482 242 F HA 0.642 5.157 4.527 -0.021 0.000 0.331 242 F C 0.696 176.396 175.800 -0.166 0.000 1.115 242 F CA -0.840 57.108 58.000 -0.086 0.000 0.955 242 F CB 2.533 41.573 39.000 0.067 0.000 1.136 242 F HN 0.529 nan 8.300 nan 0.000 0.452 243 S N 3.270 118.873 115.700 -0.162 0.000 2.594 243 S HA 0.435 4.893 4.470 -0.021 0.000 0.296 243 S C -1.387 172.993 174.600 -0.367 0.000 1.124 243 S CA -0.599 57.569 58.200 -0.053 0.000 1.011 243 S CB 0.537 63.787 63.200 0.082 0.000 1.016 243 S HN 0.607 nan 8.310 nan 0.000 0.485 244 H N 2.534 121.704 119.070 0.167 0.000 2.727 244 H HA 0.455 4.998 4.556 -0.022 0.000 0.330 244 H C -0.886 174.442 175.328 0.000 0.000 0.986 244 H CA -0.642 55.425 56.048 0.032 0.000 1.251 244 H CB 1.634 31.471 29.762 0.124 0.000 1.493 244 H HN 0.426 nan 8.280 nan 0.000 0.515 245 S N 3.124 118.767 115.700 -0.095 0.000 2.478 245 S HA 0.426 4.883 4.470 -0.021 0.000 0.312 245 S C -0.590 173.815 174.600 -0.325 0.000 1.094 245 S CA -0.655 57.477 58.200 -0.113 0.000 1.081 245 S CB 0.590 63.684 63.200 -0.177 0.000 1.007 245 S HN 0.335 nan 8.310 nan 0.000 0.475 246 F N 2.878 122.866 119.950 0.063 0.000 2.359 246 F HA 0.400 4.914 4.527 -0.022 0.000 0.369 246 F C -0.174 175.727 175.800 0.168 0.000 1.084 246 F CA -0.685 57.399 58.000 0.139 0.000 1.096 246 F CB 0.593 39.733 39.000 0.233 0.000 1.335 246 F HN 0.317 nan 8.300 nan 0.000 0.457 247 L N 5.737 127.050 121.223 0.149 0.000 2.328 247 L HA 0.329 4.657 4.340 -0.021 0.000 0.280 247 L C -0.316 176.627 176.870 0.123 0.000 1.111 247 L CA -0.015 54.873 54.840 0.080 0.000 0.909 247 L CB -0.004 42.045 42.059 -0.017 0.000 1.277 247 L HN 0.566 nan 8.230 nan 0.000 0.433 248 L N 3.429 124.774 121.223 0.204 0.000 2.732 248 L HA 0.686 5.013 4.340 -0.021 0.000 0.246 248 L C 0.315 177.229 176.870 0.074 0.000 1.407 248 L CA -0.395 54.498 54.840 0.089 0.000 0.861 248 L CB 0.704 42.728 42.059 -0.057 0.000 1.161 248 L HN 0.635 nan 8.230 nan 0.000 0.510 249 G N -0.977 107.864 108.800 0.068 0.000 2.429 249 G HA2 0.514 4.461 3.960 -0.021 0.000 0.300 249 G HA3 0.514 4.461 3.960 -0.021 0.000 0.300 249 G C -0.640 174.283 174.900 0.039 0.000 1.598 249 G CA 0.006 45.148 45.100 0.069 0.000 0.863 249 G HN 0.487 nan 8.290 nan 0.000 0.614 250 G N -1.055 107.768 108.800 0.038 0.000 2.674 250 G HA2 0.460 4.408 3.960 -0.021 0.000 0.686 250 G HA3 0.460 4.408 3.960 -0.021 0.000 0.686 250 G C 0.862 175.751 174.900 -0.019 0.000 1.195 250 G CA 0.726 45.837 45.100 0.019 0.000 0.776 250 G HN 2.177 nan 8.290 nan 0.000 0.654 251 A N -0.039 122.750 122.820 -0.052 0.000 1.898 251 A HA 0.484 4.791 4.320 -0.021 0.000 0.216 251 A C 1.228 178.738 177.584 -0.125 0.000 1.181 251 A CA 2.296 54.288 52.037 -0.076 0.000 0.620 251 A CB 0.061 19.014 19.000 -0.077 0.000 0.819 251 A HN 1.859 nan 8.150 nan 0.000 0.442 252 V N -0.092 119.685 119.914 -0.229 0.000 2.569 252 V HA 0.513 4.620 4.120 -0.021 0.000 0.301 252 V C -0.896 175.119 176.094 -0.132 0.000 1.044 252 V CA -0.324 61.870 62.300 -0.175 0.000 0.874 252 V CB 1.524 33.234 31.823 -0.187 0.000 1.002 252 V HN 0.445 nan 8.190 nan 0.000 0.424 253 L N 5.295 126.417 121.223 -0.169 0.000 2.385 253 L HA 0.782 5.109 4.340 -0.021 0.000 0.273 253 L C -0.537 176.113 176.870 -0.366 0.000 0.990 253 L CA -0.533 54.181 54.840 -0.211 0.000 0.821 253 L CB 1.737 43.731 42.059 -0.108 0.000 1.279 253 L HN 0.737 nan 8.230 nan 0.000 0.412 254 R N 3.000 123.143 120.500 -0.594 0.000 2.473 254 R HA 0.372 4.699 4.340 -0.021 0.000 0.303 254 R C -1.762 174.365 176.300 -0.288 0.000 1.002 254 R CA -0.650 55.122 56.100 -0.547 0.000 0.884 254 R CB 0.923 30.673 30.300 -0.916 0.000 1.173 254 R HN 0.786 nan 8.270 nan 0.000 0.464 255 H N 2.850 121.788 119.070 -0.222 0.000 2.489 255 H HA 0.463 5.006 4.556 -0.021 0.000 0.343 255 H C -1.113 174.107 175.328 -0.181 0.000 1.086 255 H CA -0.492 55.477 56.048 -0.132 0.000 1.198 255 H CB 1.160 30.887 29.762 -0.059 0.000 1.490 255 H HN 0.519 nan 8.280 nan 0.000 0.504 256 N N 3.427 121.585 118.700 -0.904 0.000 2.284 256 N HA 0.264 4.991 4.740 -0.021 0.000 0.300 256 N C -1.188 173.838 175.510 -0.807 0.000 1.047 256 N CA -0.587 51.977 53.050 -0.811 0.000 0.821 256 N CB 2.245 40.023 38.487 -1.182 0.000 1.337 256 N HN 0.541 nan 8.380 nan 0.000 0.482 257 T N 0.846 115.172 114.554 -0.380 0.000 2.906 257 T HA 0.319 4.657 4.350 -0.021 0.000 0.302 257 T C -0.471 174.219 174.700 -0.017 0.000 1.002 257 T CA -0.408 61.617 62.100 -0.124 0.000 0.988 257 T CB 0.794 69.705 68.868 0.072 0.000 0.972 257 T HN 0.232 nan 8.240 nan 0.000 0.447 258 S N 2.614 118.336 115.700 0.037 0.000 2.451 258 S HA 0.759 5.216 4.470 -0.021 0.000 0.301 258 S C -0.007 174.664 174.600 0.117 0.000 1.116 258 S CA -0.674 57.600 58.200 0.124 0.000 1.093 258 S CB 1.337 64.564 63.200 0.045 0.000 1.017 258 S HN 0.664 nan 8.310 nan 0.000 0.482 259 T N 3.116 117.783 114.554 0.188 0.000 2.900 259 T HA 0.483 4.820 4.350 -0.021 0.000 0.295 259 T C -1.095 173.681 174.700 0.125 0.000 1.044 259 T CA -0.731 61.434 62.100 0.109 0.000 0.995 259 T CB 1.611 70.514 68.868 0.058 0.000 1.072 259 T HN 0.510 nan 8.240 nan 0.000 0.473 260 Q N 1.789 121.626 119.800 0.063 0.000 2.310 260 Q HA 0.466 4.794 4.340 -0.021 0.000 0.270 260 Q C -1.128 174.869 176.000 -0.005 0.000 1.025 260 Q CA -0.567 55.268 55.803 0.053 0.000 0.772 260 Q CB 2.187 30.969 28.738 0.074 0.000 1.253 260 Q HN 0.505 nan 8.270 nan 0.000 0.450 261 L N 3.323 124.517 121.223 -0.047 0.000 2.314 261 L HA 0.331 4.658 4.340 -0.021 0.000 0.275 261 L C 0.343 177.211 176.870 -0.005 0.000 1.068 261 L CA -0.328 54.473 54.840 -0.066 0.000 0.894 261 L CB 0.278 42.228 42.059 -0.182 0.000 1.275 261 L HN 0.526 nan 8.230 nan 0.000 0.432 262 N N 2.543 121.251 118.700 0.014 0.000 2.276 262 N HA 0.168 4.896 4.740 -0.021 0.000 0.212 262 N C 0.403 175.936 175.510 0.039 0.000 1.127 262 N CA 0.014 53.086 53.050 0.036 0.000 0.834 262 N CB 1.437 39.946 38.487 0.036 0.000 1.014 262 N HN 0.660 nan 8.380 nan 0.000 0.491 263 G N -0.318 108.504 108.800 0.037 0.000 2.696 263 G HA2 0.373 4.321 3.960 -0.021 0.000 0.295 263 G HA3 0.373 4.321 3.960 -0.021 0.000 0.295 263 G C -0.842 174.098 174.900 0.067 0.000 1.398 263 G CA -0.529 44.596 45.100 0.043 0.000 0.920 263 G HN -0.033 nan 8.290 nan 0.000 0.492 264 E N 0.863 121.115 120.200 0.085 0.000 2.392 264 E HA 0.151 4.488 4.350 -0.021 0.000 0.259 264 E C -0.050 176.608 176.600 0.096 0.000 1.108 264 E CA -0.425 56.059 56.400 0.140 0.000 0.916 264 E CB 0.551 30.332 29.700 0.135 0.000 0.989 264 E HN 0.508 nan 8.360 nan 0.000 0.432 265 N N 0.337 119.130 118.700 0.156 0.000 2.754 265 N HA -0.153 4.575 4.740 -0.021 0.000 0.248 265 N C -1.109 174.438 175.510 0.061 0.000 1.093 265 N CA 0.705 53.819 53.050 0.108 0.000 0.699 265 N CB -1.285 37.223 38.487 0.035 0.000 1.016 265 N HN 0.188 nan 8.380 nan 0.000 0.552 266 S N -0.203 115.534 115.700 0.062 0.000 2.651 266 S HA 0.626 5.084 4.470 -0.021 0.000 0.291 266 S C 0.427 175.050 174.600 0.037 0.000 1.141 266 S CA -0.327 57.880 58.200 0.013 0.000 1.027 266 S CB 2.126 65.317 63.200 -0.015 0.000 1.043 266 S HN 0.168 nan 8.310 nan 0.000 0.530 267 T N 2.377 116.940 114.554 0.015 0.000 2.812 267 T HA 0.603 4.940 4.350 -0.021 0.000 0.282 267 T C -1.190 173.567 174.700 0.094 0.000 0.990 267 T CA -0.398 61.750 62.100 0.081 0.000 0.960 267 T CB 1.038 69.978 68.868 0.120 0.000 0.948 267 T HN 0.371 nan 8.240 nan 0.000 0.438 268 L N 3.007 124.312 121.223 0.136 0.000 2.401 268 L HA 0.809 5.136 4.340 -0.021 0.000 0.266 268 L C -0.764 176.216 176.870 0.182 0.000 0.991 268 L CA -0.648 54.279 54.840 0.145 0.000 0.818 268 L CB 1.859 43.944 42.059 0.042 0.000 1.321 268 L HN 0.646 nan 8.230 nan 0.000 0.413 269 R N 5.071 125.708 120.500 0.229 0.000 2.538 269 R HA 0.734 5.061 4.340 -0.021 0.000 0.292 269 R C -1.984 174.305 176.300 -0.019 0.000 1.008 269 R CA -0.517 55.614 56.100 0.051 0.000 0.896 269 R CB 1.363 31.569 30.300 -0.156 0.000 1.187 269 R HN 0.767 nan 8.270 nan 0.000 0.440 270 I N 4.285 124.812 120.570 -0.071 0.000 2.468 270 I HA 0.356 4.513 4.170 -0.021 0.000 0.284 270 I C -0.957 175.012 176.117 -0.246 0.000 1.038 270 I CA -0.922 60.328 61.300 -0.084 0.000 1.083 270 I CB 1.840 39.878 38.000 0.063 0.000 1.223 270 I HN 0.557 nan 8.210 nan 0.000 0.443 271 N N 3.764 122.293 118.700 -0.286 0.000 2.402 271 N HA 0.754 5.481 4.740 -0.021 0.000 0.294 271 N C -0.907 174.432 175.510 -0.284 0.000 1.203 271 N CA -0.713 52.103 53.050 -0.390 0.000 0.838 271 N CB 2.284 40.643 38.487 -0.214 0.000 1.306 271 N HN 0.632 nan 8.380 nan 0.000 0.510 272 S N -0.384 115.139 115.700 -0.295 0.000 2.558 272 S HA 0.577 5.034 4.470 -0.021 0.000 0.277 272 S C -2.031 172.445 174.600 -0.205 0.000 1.143 272 S CA -0.873 57.222 58.200 -0.175 0.000 0.865 272 S CB 0.990 64.296 63.200 0.177 0.000 1.102 272 S HN 0.380 nan 8.310 nan 0.000 0.454 273 L N 2.272 123.326 121.223 -0.282 0.000 2.381 273 L HA 0.937 5.265 4.340 -0.021 0.000 0.274 273 L C -0.486 176.378 176.870 -0.011 0.000 0.988 273 L CA -0.325 54.435 54.840 -0.133 0.000 0.824 273 L CB 1.458 43.439 42.059 -0.129 0.000 1.263 273 L HN 1.228 nan 8.230 nan 0.000 0.410 274 A N 6.153 128.998 122.820 0.040 0.000 2.303 274 A HA 0.795 5.102 4.320 -0.021 0.000 0.320 274 A C -0.536 177.088 177.584 0.066 0.000 1.192 274 A CA -0.450 51.617 52.037 0.050 0.000 0.821 274 A CB 0.822 19.849 19.000 0.045 0.000 1.188 274 A HN 0.771 nan 8.150 nan 0.000 0.492 275 M N 5.024 124.659 119.600 0.059 0.000 2.389 275 M HA 0.230 4.697 4.480 -0.021 0.000 0.206 275 M C -2.694 173.624 176.300 0.030 0.000 0.976 275 M CA -1.410 53.922 55.300 0.054 0.000 0.648 275 M CB 1.640 34.278 32.600 0.064 0.000 1.474 275 M HN 0.460 nan 8.290 nan 0.000 0.398 276 P HA 0.257 nan 4.420 nan 0.000 0.280 276 P C -0.439 176.868 177.300 0.011 0.000 1.244 276 P CA -0.162 62.945 63.100 0.012 0.000 0.784 276 P CB 1.389 33.094 31.700 0.007 0.000 0.913 277 V N 0.337 120.256 119.914 0.009 0.000 3.284 277 V HA 0.498 4.606 4.120 -0.021 0.000 0.309 277 V C 0.558 176.658 176.094 0.009 0.000 1.190 277 V CA -1.716 60.589 62.300 0.008 0.000 1.038 277 V CB 0.266 32.094 31.823 0.007 0.000 1.198 277 V HN 0.465 nan 8.190 nan 0.000 0.465 278 K N 1.935 122.341 120.400 0.009 0.000 2.386 278 K HA -0.216 4.092 4.320 -0.021 0.000 0.255 278 K C 0.591 177.200 176.600 0.015 0.000 1.134 278 K CA 1.460 57.754 56.287 0.012 0.000 1.203 278 K CB -0.705 31.803 32.500 0.012 0.000 0.768 278 K HN 0.912 nan 8.250 nan 0.000 0.501 279 N N 1.254 119.965 118.700 0.017 0.000 2.900 279 N HA -0.194 4.533 4.740 -0.021 0.000 0.240 279 N C -0.954 174.568 175.510 0.020 0.000 0.953 279 N CA 1.711 54.774 53.050 0.022 0.000 0.950 279 N CB -0.680 37.822 38.487 0.026 0.000 1.102 279 N HN 0.713 nan 8.380 nan 0.000 0.593 280 E N 0.185 120.393 120.200 0.012 0.000 2.318 280 E HA 0.524 4.861 4.350 -0.021 0.000 0.265 280 E C -0.155 176.448 176.600 0.004 0.000 1.069 280 E CA -0.536 55.866 56.400 0.003 0.000 0.893 280 E CB 1.663 31.363 29.700 -0.001 0.000 1.076 280 E HN -0.099 nan 8.360 nan 0.000 0.414 281 V N 1.723 121.633 119.914 -0.006 0.000 2.483 281 V HA 0.189 4.297 4.120 -0.021 0.000 0.297 281 V C -0.859 175.217 176.094 -0.031 0.000 1.027 281 V CA -0.790 61.509 62.300 -0.002 0.000 0.855 281 V CB 1.528 33.366 31.823 0.024 0.000 0.995 281 V HN 0.799 nan 8.190 nan 0.000 0.424 282 C N 4.503 123.788 119.300 -0.025 0.000 2.301 282 C HA 0.621 5.068 4.460 -0.021 0.000 0.323 282 C C -0.625 174.340 174.990 -0.041 0.000 1.265 282 C CA -0.405 58.590 59.018 -0.039 0.000 1.503 282 C CB 0.262 27.995 27.740 -0.013 0.000 2.195 282 C HN 0.931 nan 8.230 nan 0.000 0.477 283 D N 3.517 123.865 120.400 -0.086 0.000 2.414 283 D HA 0.327 4.955 4.640 -0.021 0.000 0.232 283 D C -0.480 175.766 176.300 -0.090 0.000 1.070 283 D CA 0.350 54.288 54.000 -0.104 0.000 0.839 283 D CB 1.632 42.321 40.800 -0.185 0.000 1.079 283 D HN 0.593 nan 8.370 nan 0.000 0.521 284 T N 3.974 118.509 114.554 -0.033 0.000 2.770 284 T HA 0.619 4.956 4.350 -0.021 0.000 0.283 284 T C -0.519 174.125 174.700 -0.094 0.000 0.988 284 T CA -0.619 61.486 62.100 0.009 0.000 0.957 284 T CB 0.339 69.267 68.868 0.101 0.000 0.930 284 T HN 0.350 nan 8.240 nan 0.000 0.443 285 R N 2.584 122.989 120.500 -0.157 0.000 2.744 285 R HA 0.756 5.083 4.340 -0.021 0.000 0.279 285 R C -0.726 175.456 176.300 -0.196 0.000 0.977 285 R CA -1.061 54.870 56.100 -0.282 0.000 0.906 285 R CB 2.162 32.282 30.300 -0.300 0.000 1.197 285 R HN 0.734 nan 8.270 nan 0.000 0.463 286 T N -2.113 112.331 114.554 -0.183 0.000 2.903 286 T HA 0.545 4.882 4.350 -0.021 0.000 0.299 286 T C -1.430 173.317 174.700 0.078 0.000 1.093 286 T CA -0.855 61.238 62.100 -0.012 0.000 1.002 286 T CB 2.248 71.177 68.868 0.102 0.000 1.127 286 T HN 0.650 nan 8.240 nan 0.000 0.488 287 W N 4.330 125.586 121.300 -0.072 0.000 2.830 287 W HA 0.656 5.303 4.660 -0.022 0.000 0.335 287 W C -2.677 173.836 176.519 -0.009 0.000 1.043 287 W CA -1.515 55.804 57.345 -0.043 0.000 1.239 287 W CB 1.340 30.784 29.460 -0.028 0.000 1.378 287 W HN 0.828 nan 8.180 nan 0.000 0.456 288 L N 5.569 126.789 121.223 -0.004 0.000 2.410 288 L HA 0.477 4.804 4.340 -0.021 0.000 0.270 288 L C -0.702 176.130 176.870 -0.064 0.000 0.983 288 L CA -0.411 54.451 54.840 0.036 0.000 0.822 288 L CB 2.329 44.414 42.059 0.044 0.000 1.285 288 L HN 0.457 nan 8.230 nan 0.000 0.409 289 E N 3.715 123.925 120.200 0.018 0.000 2.155 289 E HA 0.301 4.639 4.350 -0.021 0.000 0.264 289 E C -1.078 175.520 176.600 -0.004 0.000 0.886 289 E CA -0.620 55.789 56.400 0.016 0.000 0.752 289 E CB 1.500 31.263 29.700 0.105 0.000 1.133 289 E HN 0.480 nan 8.360 nan 0.000 0.414 290 H N 3.455 122.513 119.070 -0.020 0.000 2.908 290 H HA 0.160 4.704 4.556 -0.021 0.000 0.269 290 H C 0.110 175.446 175.328 0.013 0.000 1.303 290 H CA -0.219 55.827 56.048 -0.003 0.000 1.341 290 H CB 0.475 30.219 29.762 -0.030 0.000 1.519 290 H HN 0.469 nan 8.280 nan 0.000 0.505 291 N N 1.719 120.477 118.700 0.097 0.000 2.415 291 N HA -0.037 4.690 4.740 -0.021 0.000 0.176 291 N C 0.288 175.867 175.510 0.114 0.000 1.042 291 N CA 0.676 53.786 53.050 0.100 0.000 0.902 291 N CB 0.752 39.291 38.487 0.086 0.000 0.986 291 N HN 0.397 nan 8.380 nan 0.000 0.447 292 K N -0.014 120.458 120.400 0.120 0.000 2.350 292 K HA 0.519 4.826 4.320 -0.021 0.000 0.241 292 K C 0.409 177.106 176.600 0.161 0.000 0.994 292 K CA -0.742 55.631 56.287 0.142 0.000 0.839 292 K CB 1.523 34.103 32.500 0.133 0.000 1.244 292 K HN -0.045 nan 8.250 nan 0.000 0.443 293 G N -0.549 108.360 108.800 0.181 0.000 2.563 293 G HA2 0.433 4.381 3.960 -0.021 0.000 0.283 293 G HA3 0.433 4.381 3.960 -0.021 0.000 0.283 293 G C -0.505 174.529 174.900 0.223 0.000 1.309 293 G CA -0.509 44.624 45.100 0.055 0.000 1.022 293 G HN 0.538 nan 8.290 nan 0.000 0.501 294 F N -2.642 117.349 119.950 0.067 0.000 3.034 294 F HA -0.206 4.308 4.527 -0.021 0.000 0.286 294 F C 0.878 176.723 175.800 0.074 0.000 0.804 294 F CA -0.161 57.873 58.000 0.058 0.000 1.161 294 F CB -2.315 36.710 39.000 0.042 0.000 1.317 294 F HN 0.379 nan 8.300 nan 0.000 0.453 295 C N 0.762 120.187 119.300 0.210 0.000 2.366 295 C HA 0.611 5.058 4.460 -0.021 0.000 0.345 295 C C 0.632 175.756 174.990 0.224 0.000 1.209 295 C CA -0.929 58.214 59.018 0.208 0.000 2.050 295 C CB 1.550 29.407 27.740 0.195 0.000 2.359 295 C HN 0.475 nan 8.230 nan 0.000 0.527 296 N N 1.183 119.994 118.700 0.186 0.000 2.372 296 N HA 0.466 5.194 4.740 -0.021 0.000 0.285 296 N C -1.028 174.590 175.510 0.180 0.000 1.008 296 N CA 0.118 53.267 53.050 0.164 0.000 0.880 296 N CB 1.896 40.451 38.487 0.114 0.000 1.239 296 N HN 0.877 nan 8.380 nan 0.000 0.484 297 S N 3.396 119.220 115.700 0.206 0.000 2.521 297 S HA 0.678 5.135 4.470 -0.021 0.000 0.295 297 S C -0.814 173.853 174.600 0.111 0.000 1.098 297 S CA -0.911 57.392 58.200 0.172 0.000 0.999 297 S CB 2.142 65.500 63.200 0.263 0.000 1.034 297 S HN 0.479 nan 8.310 nan 0.000 0.483 298 R N 1.721 122.260 120.500 0.066 0.000 2.628 298 R HA 0.516 4.843 4.340 -0.021 0.000 0.288 298 R C -1.083 175.208 176.300 -0.015 0.000 0.980 298 R CA -0.453 55.656 56.100 0.015 0.000 0.891 298 R CB 2.036 32.321 30.300 -0.025 0.000 1.188 298 R HN 0.830 nan 8.270 nan 0.000 0.450 299 Q N 1.976 121.761 119.800 -0.024 0.000 2.323 299 Q HA 0.489 4.816 4.340 -0.021 0.000 0.271 299 Q C -1.238 174.650 176.000 -0.187 0.000 1.048 299 Q CA -1.027 54.722 55.803 -0.091 0.000 0.792 299 Q CB 2.925 31.723 28.738 0.100 0.000 1.280 299 Q HN 0.219 nan 8.270 nan 0.000 0.441 300 L N 3.119 124.110 121.223 -0.386 0.000 2.415 300 L HA 0.412 4.740 4.340 -0.021 0.000 0.268 300 L C -1.729 174.820 176.870 -0.536 0.000 0.984 300 L CA -0.193 54.435 54.840 -0.353 0.000 0.853 300 L CB 1.022 42.924 42.059 -0.262 0.000 1.215 300 L HN 0.628 nan 8.230 nan 0.000 0.419 301 H N 4.851 123.771 119.070 -0.250 0.000 2.587 301 H HA 0.500 5.043 4.556 -0.020 0.000 0.325 301 H C -0.874 174.296 175.328 -0.262 0.000 1.012 301 H CA -0.655 55.232 56.048 -0.269 0.000 1.213 301 H CB 1.674 31.198 29.762 -0.397 0.000 1.431 301 H HN 0.500 nan 8.280 nan 0.000 0.492 302 K N 1.762 122.103 120.400 -0.098 0.000 2.267 302 K HA 0.478 4.785 4.320 -0.021 0.000 0.246 302 K C -0.068 176.576 176.600 0.073 0.000 0.954 302 K CA -0.815 55.445 56.287 -0.045 0.000 0.824 302 K CB 2.499 34.863 32.500 -0.227 0.000 1.167 302 K HN 0.654 nan 8.250 nan 0.000 0.431 303 T N -1.380 113.282 114.554 0.180 0.000 2.909 303 T HA 0.667 5.005 4.350 -0.021 0.000 0.299 303 T C -0.568 174.237 174.700 0.175 0.000 1.073 303 T CA -0.827 61.361 62.100 0.146 0.000 0.999 303 T CB 0.789 69.705 68.868 0.080 0.000 1.098 303 T HN 0.447 nan 8.240 nan 0.000 0.477 304 I N 2.221 122.858 120.570 0.112 0.000 2.497 304 I HA 0.467 4.624 4.170 -0.021 0.000 0.284 304 I C -0.962 175.169 176.117 0.024 0.000 1.060 304 I CA -1.131 60.197 61.300 0.046 0.000 1.071 304 I CB 2.233 40.278 38.000 0.075 0.000 1.216 304 I HN 0.472 nan 8.210 nan 0.000 0.442 305 V N 4.695 124.606 119.914 -0.004 0.000 2.417 305 V HA 0.457 4.565 4.120 -0.021 0.000 0.291 305 V C 0.246 176.332 176.094 -0.012 0.000 1.024 305 V CA -0.387 61.911 62.300 -0.003 0.000 0.861 305 V CB 1.632 33.451 31.823 -0.006 0.000 0.985 305 V HN 0.733 nan 8.190 nan 0.000 0.436 306 S N 2.103 117.800 115.700 -0.005 0.000 2.713 306 S HA 0.334 4.791 4.470 -0.021 0.000 0.283 306 S C -0.302 174.296 174.600 -0.004 0.000 1.161 306 S CA -0.706 57.490 58.200 -0.007 0.000 0.999 306 S CB 0.822 64.021 63.200 -0.003 0.000 1.039 306 S HN 0.797 nan 8.310 nan 0.000 0.548 307 D N 1.884 122.281 120.400 -0.005 0.000 2.662 307 D HA -0.012 4.616 4.640 -0.021 0.000 0.233 307 D C 0.392 176.694 176.300 0.004 0.000 1.129 307 D CA 1.052 55.051 54.000 -0.001 0.000 0.851 307 D CB 0.087 40.887 40.800 -0.001 0.000 1.152 307 D HN 0.520 nan 8.370 nan 0.000 0.507 308 K N -0.380 120.023 120.400 0.006 0.000 3.446 308 K HA -0.145 4.162 4.320 -0.021 0.000 0.312 308 K C 0.655 177.263 176.600 0.014 0.000 1.329 308 K CA 0.868 57.162 56.287 0.012 0.000 0.935 308 K CB -1.316 31.193 32.500 0.014 0.000 1.281 308 K HN 0.571 nan 8.250 nan 0.000 0.457 309 G N 0.794 109.600 108.800 0.009 0.000 2.462 309 G HA2 0.606 4.554 3.960 -0.021 0.000 0.319 309 G HA3 0.606 4.554 3.960 -0.021 0.000 0.319 309 G C -1.050 173.855 174.900 0.008 0.000 1.171 309 G CA -0.553 44.553 45.100 0.009 0.000 0.920 309 G HN 0.132 nan 8.290 nan 0.000 0.499 310 R N 0.137 120.643 120.500 0.009 0.000 2.515 310 R HA 0.574 4.901 4.340 -0.021 0.000 0.291 310 R C -0.913 175.387 176.300 -0.000 0.000 1.046 310 R CA -0.589 55.514 56.100 0.005 0.000 0.914 310 R CB 1.540 31.852 30.300 0.019 0.000 1.191 310 R HN 0.700 nan 8.270 nan 0.000 0.435 311 A N 3.623 126.438 122.820 -0.008 0.000 2.324 311 A HA 0.671 4.979 4.320 -0.021 0.000 0.330 311 A C -0.962 176.610 177.584 -0.019 0.000 1.165 311 A CA -0.571 51.466 52.037 -0.001 0.000 0.813 311 A CB 1.681 20.692 19.000 0.017 0.000 1.197 311 A HN 0.407 nan 8.150 nan 0.000 0.484 312 V N 2.351 122.261 119.914 -0.007 0.000 2.588 312 V HA 0.564 4.671 4.120 -0.021 0.000 0.304 312 V C -1.097 175.020 176.094 0.038 0.000 1.042 312 V CA -0.355 61.930 62.300 -0.024 0.000 0.877 312 V CB 1.391 33.202 31.823 -0.019 0.000 0.996 312 V HN 0.829 nan 8.190 nan 0.000 0.425 313 F N 4.377 124.263 119.950 -0.106 0.000 2.540 313 F HA 0.772 5.286 4.527 -0.021 0.000 0.317 313 F C -0.567 175.166 175.800 -0.112 0.000 1.104 313 F CA -0.727 57.200 58.000 -0.121 0.000 0.913 313 F CB 2.009 40.951 39.000 -0.097 0.000 1.170 313 F HN 0.526 nan 8.300 nan 0.000 0.450 314 N N 2.851 120.779 118.700 -1.287 0.000 2.454 314 N HA 0.617 5.344 4.740 -0.021 0.000 0.291 314 N C -1.345 173.427 175.510 -1.229 0.000 1.079 314 N CA -0.401 52.054 53.050 -0.992 0.000 0.893 314 N CB 1.963 40.175 38.487 -0.458 0.000 1.512 314 N HN 0.924 nan 8.380 nan 0.000 0.497 315 G N 3.104 111.291 108.800 -1.022 0.000 2.782 315 G HA2 0.382 4.330 3.960 -0.021 0.000 0.289 315 G HA3 0.382 4.330 3.960 -0.021 0.000 0.289 315 G C -1.495 173.252 174.900 -0.254 0.000 1.463 315 G CA -0.373 44.428 45.100 -0.499 0.000 1.019 315 G HN 0.475 nan 8.290 nan 0.000 0.536 316 L N 4.060 125.158 121.223 -0.209 0.000 2.275 316 L HA 0.700 5.027 4.340 -0.021 0.000 0.288 316 L C -0.837 175.878 176.870 -0.259 0.000 1.046 316 L CA -0.652 54.032 54.840 -0.260 0.000 0.805 316 L CB 0.998 42.843 42.059 -0.356 0.000 1.193 316 L HN 0.386 nan 8.230 nan 0.000 0.426 317 I N 5.726 126.153 120.570 -0.238 0.000 2.439 317 I HA 0.327 4.485 4.170 -0.021 0.000 0.285 317 I C -0.297 175.669 176.117 -0.251 0.000 1.021 317 I CA -0.447 60.745 61.300 -0.179 0.000 1.091 317 I CB 1.846 39.802 38.000 -0.074 0.000 1.242 317 I HN 0.566 nan 8.210 nan 0.000 0.439 318 N N 6.318 124.857 118.700 -0.269 0.000 2.392 318 N HA 0.435 5.162 4.740 -0.021 0.000 0.283 318 N C -1.534 173.866 175.510 -0.183 0.000 1.003 318 N CA -0.306 52.563 53.050 -0.302 0.000 0.892 318 N CB 2.428 40.727 38.487 -0.312 0.000 1.193 318 N HN 0.257 nan 8.380 nan 0.000 0.487 319 V N 2.769 122.522 119.914 -0.269 0.000 2.334 319 V HA 0.463 4.571 4.120 -0.021 0.000 0.281 319 V C 0.624 176.641 176.094 -0.129 0.000 1.016 319 V CA -0.973 61.233 62.300 -0.157 0.000 0.832 319 V CB 0.645 32.338 31.823 -0.216 0.000 0.999 319 V HN 0.800 nan 8.190 nan 0.000 0.439 320 A N 4.159 126.981 122.820 0.003 0.000 2.406 320 A HA 0.342 4.649 4.320 -0.021 0.000 0.243 320 A C 0.349 177.961 177.584 0.046 0.000 1.082 320 A CA -0.022 52.061 52.037 0.076 0.000 0.786 320 A CB 0.247 19.302 19.000 0.093 0.000 1.029 320 A HN 0.843 nan 8.150 nan 0.000 0.495 321 Q N -0.187 119.620 119.800 0.012 0.000 2.395 321 Q HA 0.140 4.468 4.340 -0.021 0.000 0.271 321 Q C -0.093 175.787 176.000 -0.200 0.000 1.026 321 Q CA 0.354 56.052 55.803 -0.174 0.000 0.900 321 Q CB 0.107 28.617 28.738 -0.380 0.000 1.266 321 Q HN 0.928 nan 8.270 nan 0.000 0.430 322 H N -0.557 118.535 119.070 0.036 0.000 3.863 322 H HA -0.191 4.352 4.556 -0.021 0.000 0.160 322 H C -0.279 175.057 175.328 0.015 0.000 0.870 322 H CA 0.998 57.064 56.048 0.030 0.000 1.247 322 H CB -1.763 28.028 29.762 0.048 0.000 0.921 322 H HN 0.600 nan 8.280 nan 0.000 0.421 323 A N 2.257 125.129 122.820 0.087 0.000 3.074 323 A HA 0.383 4.690 4.320 -0.021 0.000 0.251 323 A C 1.369 178.899 177.584 -0.089 0.000 1.695 323 A CA -0.097 51.958 52.037 0.029 0.000 1.343 323 A CB -1.019 18.007 19.000 0.044 0.000 1.078 323 A HN 0.394 nan 8.150 nan 0.000 0.644 324 I N -2.798 117.688 120.570 -0.141 0.000 2.993 324 I HA 0.200 4.357 4.170 -0.021 0.000 0.286 324 I C 0.299 176.098 176.117 -0.530 0.000 1.215 324 I CA 0.070 61.211 61.300 -0.265 0.000 1.393 324 I CB -0.168 37.702 38.000 -0.217 0.000 1.371 324 I HN 0.376 nan 8.210 nan 0.000 0.602 325 K N 0.641 120.784 120.400 -0.429 0.000 3.209 325 K HA -0.147 4.161 4.320 -0.021 0.000 0.289 325 K C 0.085 176.521 176.600 -0.273 0.000 1.191 325 K CA 0.841 56.877 56.287 -0.417 0.000 0.851 325 K CB -2.775 29.262 32.500 -0.772 0.000 1.242 325 K HN 0.919 nan 8.250 nan 0.000 0.480 326 T N 1.735 116.150 114.554 -0.232 0.000 2.901 326 T HA 0.126 4.463 4.350 -0.021 0.000 0.301 326 T C 0.068 174.652 174.700 -0.194 0.000 1.012 326 T CA -0.041 61.933 62.100 -0.210 0.000 1.135 326 T CB 0.855 69.524 68.868 -0.332 0.000 0.936 326 T HN 0.095 nan 8.240 nan 0.000 0.539 327 D N 2.320 122.637 120.400 -0.138 0.000 2.389 327 D HA 0.382 5.010 4.640 -0.021 0.000 0.256 327 D C -0.463 175.798 176.300 -0.065 0.000 1.239 327 D CA -0.354 53.595 54.000 -0.084 0.000 0.925 327 D CB 0.818 41.608 40.800 -0.017 0.000 1.145 327 D HN 0.685 nan 8.370 nan 0.000 0.542 328 G N 2.363 111.089 108.800 -0.123 0.000 2.530 328 G HA2 0.573 4.521 3.960 -0.021 0.000 0.316 328 G HA3 0.573 4.521 3.960 -0.021 0.000 0.316 328 G C -0.760 174.134 174.900 -0.010 0.000 1.298 328 G CA -0.435 44.638 45.100 -0.044 0.000 0.948 328 G HN 0.341 nan 8.290 nan 0.000 0.486 329 Q N 0.828 120.646 119.800 0.032 0.000 2.397 329 Q HA 0.644 4.972 4.340 -0.021 0.000 0.275 329 Q C -1.016 175.023 176.000 0.065 0.000 1.090 329 Q CA -0.790 55.031 55.803 0.029 0.000 0.809 329 Q CB 3.340 32.078 28.738 -0.001 0.000 1.362 329 Q HN 0.572 nan 8.270 nan 0.000 0.431 330 M N 1.330 120.986 119.600 0.092 0.000 2.271 330 M HA 0.466 4.933 4.480 -0.021 0.000 0.285 330 M C -1.764 174.574 176.300 0.064 0.000 1.059 330 M CA -0.162 55.238 55.300 0.165 0.000 0.940 330 M CB 2.388 35.198 32.600 0.351 0.000 1.636 330 M HN 0.595 nan 8.290 nan 0.000 0.460 331 T N 3.844 118.379 114.554 -0.031 0.000 2.886 331 T HA 0.425 4.762 4.350 -0.021 0.000 0.292 331 T C -1.111 173.476 174.700 -0.188 0.000 1.012 331 T CA -0.758 61.245 62.100 -0.161 0.000 0.982 331 T CB 1.394 70.170 68.868 -0.154 0.000 1.018 331 T HN 0.725 nan 8.240 nan 0.000 0.451 332 N N 3.047 121.611 118.700 -0.226 0.000 2.540 332 N HA 0.235 4.962 4.740 -0.021 0.000 0.275 332 N C -1.476 173.955 175.510 -0.132 0.000 1.053 332 N CA -0.486 52.400 53.050 -0.273 0.000 0.876 332 N CB 0.779 38.998 38.487 -0.447 0.000 1.284 332 N HN 0.556 nan 8.380 nan 0.000 0.518 333 N N 2.234 120.891 118.700 -0.071 0.000 2.424 333 N HA 0.312 5.039 4.740 -0.021 0.000 0.271 333 N C -1.306 174.330 175.510 0.208 0.000 0.985 333 N CA -0.671 52.424 53.050 0.076 0.000 0.921 333 N CB 0.970 39.522 38.487 0.108 0.000 1.149 333 N HN 0.451 nan 8.380 nan 0.000 0.492 334 N N 2.213 121.001 118.700 0.146 0.000 2.342 334 N HA 0.343 5.070 4.740 -0.021 0.000 0.293 334 N C -1.323 174.189 175.510 0.003 0.000 1.026 334 N CA -0.448 52.662 53.050 0.101 0.000 0.857 334 N CB 2.379 40.888 38.487 0.037 0.000 1.256 334 N HN 0.355 nan 8.380 nan 0.000 0.484 335 L N 2.975 124.141 121.223 -0.095 0.000 2.325 335 L HA 0.500 4.827 4.340 -0.021 0.000 0.281 335 L C -1.101 175.684 176.870 -0.141 0.000 1.004 335 L CA -0.680 54.004 54.840 -0.259 0.000 0.823 335 L CB 0.976 42.644 42.059 -0.653 0.000 1.236 335 L HN 0.323 nan 8.230 nan 0.000 0.415 336 L N 5.801 126.959 121.223 -0.108 0.000 2.282 336 L HA 0.313 4.640 4.340 -0.021 0.000 0.288 336 L C 0.782 177.610 176.870 -0.071 0.000 1.033 336 L CA -0.587 54.212 54.840 -0.068 0.000 0.807 336 L CB 1.804 43.834 42.059 -0.047 0.000 1.209 336 L HN 0.738 nan 8.230 nan 0.000 0.423 337 M N 1.496 121.063 119.600 -0.055 0.000 2.476 337 M HA 0.220 4.687 4.480 -0.021 0.000 0.262 337 M C 0.816 177.096 176.300 -0.033 0.000 1.111 337 M CA 0.290 55.561 55.300 -0.048 0.000 1.127 337 M CB -0.254 32.323 32.600 -0.039 0.000 1.376 337 M HN 0.677 nan 8.290 nan 0.000 0.465 338 G N -0.366 108.419 108.800 -0.026 0.000 2.766 338 G HA2 0.414 4.362 3.960 -0.021 0.000 0.288 338 G HA3 0.414 4.362 3.960 -0.021 0.000 0.288 338 G C 0.005 174.896 174.900 -0.016 0.000 1.408 338 G CA -0.583 44.506 45.100 -0.019 0.000 0.852 338 G HN 0.084 nan 8.290 nan 0.000 0.487 339 K N -0.601 119.793 120.400 -0.011 0.000 2.486 339 K HA 0.155 4.462 4.320 -0.021 0.000 0.194 339 K C 1.177 177.774 176.600 -0.004 0.000 1.033 339 K CA 0.548 56.830 56.287 -0.008 0.000 1.004 339 K CB -0.004 32.492 32.500 -0.006 0.000 0.798 339 K HN 0.246 nan 8.250 nan 0.000 0.495 340 L N 0.019 121.241 121.223 -0.003 0.000 2.808 340 L HA 0.267 4.595 4.340 -0.021 0.000 0.246 340 L C 0.524 177.395 176.870 0.002 0.000 1.153 340 L CA -0.532 54.309 54.840 0.002 0.000 0.956 340 L CB 0.494 42.556 42.059 0.005 0.000 1.270 340 L HN -0.045 nan 8.230 nan 0.000 0.528 341 A N 0.727 123.545 122.820 -0.004 0.000 2.351 341 A HA 0.557 4.865 4.320 -0.021 0.000 0.257 341 A C -0.107 177.472 177.584 -0.008 0.000 1.087 341 A CA 0.037 52.070 52.037 -0.006 0.000 0.798 341 A CB 0.500 19.492 19.000 -0.013 0.000 1.033 341 A HN 0.298 nan 8.150 nan 0.000 0.488 342 E N -0.688 119.507 120.200 -0.009 0.000 2.367 342 E HA 0.599 4.936 4.350 -0.021 0.000 0.273 342 E C -1.786 174.794 176.600 -0.034 0.000 0.903 342 E CA -0.745 55.644 56.400 -0.019 0.000 0.764 342 E CB 2.548 32.243 29.700 -0.009 0.000 1.252 342 E HN 0.486 nan 8.360 nan 0.000 0.446 343 V N 2.036 121.915 119.914 -0.059 0.000 2.817 343 V HA 0.328 4.436 4.120 -0.021 0.000 0.303 343 V C -2.011 173.995 176.094 -0.147 0.000 1.151 343 V CA -0.512 61.742 62.300 -0.076 0.000 0.929 343 V CB 1.981 33.783 31.823 -0.035 0.000 1.030 343 V HN 0.668 nan 8.190 nan 0.000 0.427 344 D N 3.955 124.210 120.400 -0.241 0.000 2.629 344 D HA 0.488 5.115 4.640 -0.021 0.000 0.250 344 D C -0.819 175.349 176.300 -0.220 0.000 1.126 344 D CA -0.088 53.649 54.000 -0.437 0.000 0.852 344 D CB 2.272 42.331 40.800 -1.236 0.000 1.335 344 D HN 0.612 nan 8.370 nan 0.000 0.518 345 T N 0.835 115.340 114.554 -0.083 0.000 2.881 345 T HA 0.387 4.725 4.350 -0.021 0.000 0.290 345 T C -1.100 173.646 174.700 0.077 0.000 1.000 345 T CA -0.732 61.429 62.100 0.102 0.000 0.978 345 T CB 1.235 70.242 68.868 0.230 0.000 0.997 345 T HN 0.277 nan 8.240 nan 0.000 0.443 346 K N 6.023 126.434 120.400 0.020 0.000 2.701 346 K HA 0.399 4.706 4.320 -0.021 0.000 0.212 346 K C -2.740 173.754 176.600 -0.177 0.000 1.035 346 K CA -1.921 54.336 56.287 -0.051 0.000 1.048 346 K CB 1.397 33.879 32.500 -0.030 0.000 1.234 346 K HN 0.418 nan 8.250 nan 0.000 0.540 347 P HA 0.092 nan 4.420 nan 0.000 0.278 347 P C -1.369 175.781 177.300 -0.251 0.000 1.238 347 P CA -0.352 62.525 63.100 -0.371 0.000 0.794 347 P CB 1.275 32.338 31.700 -1.061 0.000 0.955 348 Q N 2.289 121.953 119.800 -0.227 0.000 2.350 348 Q HA 0.421 4.748 4.340 -0.021 0.000 0.255 348 Q C -1.610 174.285 176.000 -0.176 0.000 0.951 348 Q CA -0.459 55.241 55.803 -0.172 0.000 0.751 348 Q CB 0.896 29.536 28.738 -0.164 0.000 1.296 348 Q HN 0.424 nan 8.270 nan 0.000 0.453 349 L N 3.243 124.379 121.223 -0.145 0.000 2.296 349 L HA 0.529 4.856 4.340 -0.021 0.000 0.286 349 L C -0.425 176.332 176.870 -0.188 0.000 1.023 349 L CA -0.423 54.322 54.840 -0.158 0.000 0.812 349 L CB 1.705 43.698 42.059 -0.110 0.000 1.223 349 L HN 0.602 nan 8.230 nan 0.000 0.421 350 E N 4.967 124.992 120.200 -0.293 0.000 2.331 350 E HA 0.403 4.741 4.350 -0.021 0.000 0.243 350 E C -1.115 175.029 176.600 -0.760 0.000 0.925 350 E CA -0.477 55.648 56.400 -0.458 0.000 0.760 350 E CB 1.783 31.230 29.700 -0.422 0.000 1.254 350 E HN 0.310 nan 8.360 nan 0.000 0.419 351 I N 3.083 123.296 120.570 -0.596 0.000 2.355 351 I HA 0.174 4.332 4.170 -0.021 0.000 0.288 351 I C -0.124 175.818 176.117 -0.292 0.000 0.999 351 I CA -0.475 60.549 61.300 -0.459 0.000 1.163 351 I CB 0.298 38.171 38.000 -0.211 0.000 1.316 351 I HN 0.649 nan 8.210 nan 0.000 0.454 352 Y N 4.240 124.495 120.300 -0.076 0.000 2.696 352 Y HA 0.629 5.167 4.550 -0.021 0.000 0.260 352 Y C 0.768 176.612 175.900 -0.093 0.000 1.165 352 Y CA -0.648 57.403 58.100 -0.081 0.000 1.189 352 Y CB 0.968 39.377 38.460 -0.085 0.000 1.180 352 Y HN 0.636 nan 8.280 nan 0.000 0.538 353 A N 0.715 123.546 122.820 0.018 0.000 2.427 353 A HA 0.272 4.579 4.320 -0.021 0.000 0.298 353 A C 0.168 177.731 177.584 -0.034 0.000 1.036 353 A CA -0.637 51.388 52.037 -0.019 0.000 0.701 353 A CB 1.007 19.980 19.000 -0.044 0.000 1.250 353 A HN 0.312 nan 8.150 nan 0.000 0.412 354 D N 1.100 121.485 120.400 -0.024 0.000 2.183 354 D HA -0.112 4.515 4.640 -0.021 0.000 0.205 354 D C 0.083 176.357 176.300 -0.043 0.000 0.962 354 D CA 0.720 54.703 54.000 -0.027 0.000 0.849 354 D CB -0.071 40.721 40.800 -0.013 0.000 0.978 354 D HN 0.411 nan 8.370 nan 0.000 0.488 355 D N 1.143 121.514 120.400 -0.049 0.000 2.745 355 D HA 0.118 4.745 4.640 -0.021 0.000 0.229 355 D C 0.014 176.254 176.300 -0.099 0.000 1.088 355 D CA -0.151 53.810 54.000 -0.065 0.000 1.054 355 D CB -0.307 40.453 40.800 -0.066 0.000 1.132 355 D HN 0.152 nan 8.370 nan 0.000 0.464 356 V N -1.666 118.194 119.914 -0.091 0.000 3.182 356 V HA 0.654 4.761 4.120 -0.021 0.000 0.308 356 V C -1.008 175.032 176.094 -0.091 0.000 1.240 356 V CA -1.073 61.159 62.300 -0.114 0.000 1.063 356 V CB 2.382 34.121 31.823 -0.140 0.000 1.076 356 V HN -0.036 nan 8.190 nan 0.000 0.446 357 K N 0.970 121.310 120.400 -0.099 0.000 2.664 357 K HA 0.671 4.978 4.320 -0.021 0.000 0.234 357 K C -1.707 174.842 176.600 -0.085 0.000 0.980 357 K CA -0.219 56.024 56.287 -0.074 0.000 0.996 357 K CB 1.421 33.887 32.500 -0.055 0.000 1.190 357 K HN 0.869 nan 8.250 nan 0.000 0.479 358 C N 1.364 120.616 119.300 -0.080 0.000 2.561 358 C HA 0.767 5.214 4.460 -0.021 0.000 0.319 358 C C -0.183 174.785 174.990 -0.038 0.000 1.198 358 C CA -0.657 58.315 59.018 -0.077 0.000 1.665 358 C CB 1.297 28.972 27.740 -0.109 0.000 2.258 358 C HN 0.917 nan 8.230 nan 0.000 0.493 359 S N 0.832 116.526 115.700 -0.011 0.000 2.552 359 S HA 0.720 5.178 4.470 -0.021 0.000 0.272 359 S C -1.503 173.140 174.600 0.072 0.000 1.150 359 S CA -0.637 57.573 58.200 0.017 0.000 0.849 359 S CB 1.366 64.559 63.200 -0.011 0.000 1.113 359 S HN 1.020 nan 8.310 nan 0.000 0.458 360 H N -0.273 118.792 119.070 -0.008 0.000 2.895 360 H HA 0.794 5.337 4.556 -0.021 0.000 0.373 360 H C -0.406 174.924 175.328 0.004 0.000 1.174 360 H CA 0.283 56.337 56.048 0.009 0.000 1.144 360 H CB 1.870 31.651 29.762 0.032 0.000 1.793 360 H HN 1.236 nan 8.280 nan 0.000 0.551 361 G N 1.090 109.248 108.800 -1.071 0.000 2.733 361 G HA2 0.681 4.628 3.960 -0.021 0.000 0.297 361 G HA3 0.681 4.628 3.960 -0.021 0.000 0.297 361 G C -1.860 172.627 174.900 -0.689 0.000 1.422 361 G CA -0.256 44.452 45.100 -0.653 0.000 0.942 361 G HN 0.820 nan 8.290 nan 0.000 0.510 362 A N 0.690 123.330 122.820 -0.301 0.000 2.520 362 A HA 0.962 5.269 4.320 -0.021 0.000 0.298 362 A C -0.165 177.393 177.584 -0.044 0.000 1.051 362 A CA -0.109 51.861 52.037 -0.112 0.000 0.690 362 A CB 1.856 20.905 19.000 0.083 0.000 1.281 362 A HN 1.849 nan 8.150 nan 0.000 0.402 363 T N -1.448 113.092 114.554 -0.023 0.000 2.906 363 T HA 0.799 5.136 4.350 -0.021 0.000 0.295 363 T C -0.960 173.748 174.700 0.014 0.000 1.061 363 T CA -0.736 61.363 62.100 -0.001 0.000 1.000 363 T CB 1.540 70.412 68.868 0.007 0.000 1.103 363 T HN 1.164 nan 8.240 nan 0.000 0.486 364 V N 0.794 120.711 119.914 0.005 0.000 2.733 364 V HA 0.915 5.022 4.120 -0.021 0.000 0.306 364 V C 0.388 176.472 176.094 -0.017 0.000 1.084 364 V CA -0.123 62.175 62.300 -0.004 0.000 0.905 364 V CB 1.437 33.257 31.823 -0.005 0.000 1.010 364 V HN 1.529 nan 8.190 nan 0.000 0.424 365 G N 3.781 112.559 108.800 -0.037 0.000 2.495 365 G HA2 0.625 4.573 3.960 -0.021 0.000 0.294 365 G HA3 0.625 4.573 3.960 -0.021 0.000 0.294 365 G C -1.442 173.410 174.900 -0.080 0.000 1.397 365 G CA -0.918 44.153 45.100 -0.048 0.000 0.790 365 G HN 0.851 nan 8.290 nan 0.000 0.486 366 R N -0.652 119.803 120.500 -0.076 0.000 2.782 366 R HA 0.755 5.083 4.340 -0.021 0.000 0.258 366 R C 0.229 176.461 176.300 -0.113 0.000 1.055 366 R CA -0.888 55.155 56.100 -0.095 0.000 1.065 366 R CB 1.225 31.486 30.300 -0.065 0.000 1.172 366 R HN 0.435 nan 8.270 nan 0.000 0.510 367 I N 1.863 122.357 120.570 -0.127 0.000 2.932 367 I HA -0.112 4.045 4.170 -0.021 0.000 0.295 367 I C -0.148 175.929 176.117 -0.066 0.000 1.227 367 I CA 0.504 61.731 61.300 -0.120 0.000 1.429 367 I CB 0.149 38.088 38.000 -0.101 0.000 1.339 367 I HN 0.766 nan 8.210 nan 0.000 0.589 368 D N 6.122 126.493 120.400 -0.049 0.000 2.367 368 D HA -0.005 4.623 4.640 -0.021 0.000 0.255 368 D C 0.780 177.083 176.300 0.006 0.000 1.300 368 D CA -0.088 53.901 54.000 -0.019 0.000 0.959 368 D CB 0.390 41.185 40.800 -0.009 0.000 1.064 368 D HN 0.347 nan 8.370 nan 0.000 0.509 369 D N 2.481 122.886 120.400 0.008 0.000 2.218 369 D HA -0.185 4.443 4.640 -0.021 0.000 0.204 369 D C 1.528 177.880 176.300 0.087 0.000 0.976 369 D CA 0.788 54.809 54.000 0.037 0.000 0.853 369 D CB 0.272 41.081 40.800 0.014 0.000 0.939 369 D HN 0.495 nan 8.370 nan 0.000 0.481 370 E N 0.920 121.162 120.200 0.069 0.000 2.106 370 E HA -0.140 4.198 4.350 -0.021 0.000 0.192 370 E C 1.867 178.563 176.600 0.159 0.000 0.984 370 E CA 1.112 57.579 56.400 0.113 0.000 0.806 370 E CB -0.063 29.665 29.700 0.048 0.000 0.750 370 E HN 0.346 nan 8.360 nan 0.000 0.458 371 Q N -0.285 119.572 119.800 0.095 0.000 2.123 371 Q HA -0.054 4.273 4.340 -0.021 0.000 0.199 371 Q C 2.371 178.456 176.000 0.142 0.000 0.966 371 Q CA 1.305 57.169 55.803 0.101 0.000 0.845 371 Q CB -0.070 28.697 28.738 0.048 0.000 0.907 371 Q HN 0.369 nan 8.270 nan 0.000 0.439 372 I N 0.183 120.821 120.570 0.112 0.000 2.179 372 I HA -0.266 3.891 4.170 -0.021 0.000 0.242 372 I C 2.197 178.382 176.117 0.114 0.000 1.088 372 I CA 1.218 62.571 61.300 0.089 0.000 1.357 372 I CB -0.223 37.817 38.000 0.067 0.000 1.051 372 I HN 0.151 nan 8.210 nan 0.000 0.409 373 F N 0.479 120.460 119.950 0.051 0.000 2.171 373 F HA -0.300 4.215 4.527 -0.021 0.000 0.300 373 F C 2.482 178.330 175.800 0.080 0.000 1.090 373 F CA 1.466 59.496 58.000 0.049 0.000 1.293 373 F CB -0.374 38.654 39.000 0.047 0.000 1.013 373 F HN 0.006 nan 8.300 nan 0.000 0.486 374 Y N 0.002 120.274 120.300 -0.046 0.000 2.145 374 Y HA -0.256 4.282 4.550 -0.021 0.000 0.286 374 Y C 2.045 177.842 175.900 -0.172 0.000 1.145 374 Y CA 1.527 59.559 58.100 -0.113 0.000 1.148 374 Y CB -0.313 38.148 38.460 0.002 0.000 0.981 374 Y HN 0.057 nan 8.280 nan 0.000 0.507 375 L N 0.604 121.809 121.223 -0.029 0.000 2.017 375 L HA -0.204 4.123 4.340 -0.021 0.000 0.208 375 L C 2.406 179.155 176.870 -0.202 0.000 1.073 375 L CA 1.733 56.510 54.840 -0.105 0.000 0.745 375 L CB -0.918 41.130 42.059 -0.019 0.000 0.894 375 L HN 0.174 nan 8.230 nan 0.000 0.432 376 R N -0.912 119.455 120.500 -0.220 0.000 2.096 376 R HA -0.118 4.209 4.340 -0.021 0.000 0.235 376 R C 2.285 178.372 176.300 -0.355 0.000 1.127 376 R CA 1.464 57.416 56.100 -0.247 0.000 0.968 376 R CB -0.616 29.560 30.300 -0.207 0.000 0.861 376 R HN 0.525 nan 8.270 nan 0.000 0.440 377 S N 0.415 115.773 115.700 -0.570 0.000 2.507 377 S HA -0.053 4.405 4.470 -0.021 0.000 0.235 377 S C 1.662 176.048 174.600 -0.357 0.000 0.988 377 S CA 0.799 58.679 58.200 -0.532 0.000 0.944 377 S CB 0.047 62.836 63.200 -0.685 0.000 0.762 377 S HN 0.118 nan 8.310 nan 0.000 0.526 378 R N 0.365 120.657 120.500 -0.347 0.000 2.334 378 R HA 0.404 4.732 4.340 -0.021 0.000 0.216 378 R C 1.639 177.831 176.300 -0.180 0.000 0.905 378 R CA 0.612 56.552 56.100 -0.266 0.000 1.064 378 R CB 0.175 30.297 30.300 -0.296 0.000 1.046 378 R HN 0.569 nan 8.270 nan 0.000 0.508 379 G N -0.428 108.269 108.800 -0.171 0.000 2.255 379 G HA2 -0.199 3.748 3.960 -0.021 0.000 0.196 379 G HA3 -0.199 3.748 3.960 -0.021 0.000 0.196 379 G C -0.176 174.664 174.900 -0.101 0.000 0.998 379 G CA -0.503 44.525 45.100 -0.120 0.000 0.656 379 G HN 0.093 nan 8.290 nan 0.000 0.490 380 I N 3.205 123.710 120.570 -0.109 0.000 2.533 380 I HA 0.294 4.451 4.170 -0.021 0.000 0.284 380 I C 0.803 176.873 176.117 -0.078 0.000 1.109 380 I CA -0.788 60.461 61.300 -0.084 0.000 1.412 380 I CB 0.577 38.529 38.000 -0.079 0.000 1.396 380 I HN 0.472 nan 8.210 nan 0.000 0.543 381 N N 5.404 124.067 118.700 -0.061 0.000 2.415 381 N HA -0.046 4.682 4.740 -0.021 0.000 0.248 381 N C 0.791 176.272 175.510 -0.048 0.000 1.271 381 N CA -0.295 52.724 53.050 -0.051 0.000 0.913 381 N CB 0.467 38.930 38.487 -0.041 0.000 1.129 381 N HN 0.597 nan 8.380 nan 0.000 0.444 382 Q N 0.542 120.320 119.800 -0.035 0.000 2.062 382 Q HA -0.320 4.008 4.340 -0.021 0.000 0.209 382 Q C 1.387 177.365 176.000 -0.038 0.000 0.996 382 Q CA 2.215 58.002 55.803 -0.026 0.000 0.859 382 Q CB -0.319 28.412 28.738 -0.011 0.000 0.920 382 Q HN 0.846 nan 8.270 nan 0.000 0.415 383 Q N -0.076 119.699 119.800 -0.041 0.000 2.030 383 Q HA -0.175 4.153 4.340 -0.021 0.000 0.204 383 Q C 1.802 177.754 176.000 -0.080 0.000 0.986 383 Q CA 1.651 57.421 55.803 -0.054 0.000 0.843 383 Q CB -0.113 28.598 28.738 -0.046 0.000 0.904 383 Q HN 0.435 nan 8.270 nan 0.000 0.420 384 D N 0.288 120.642 120.400 -0.076 0.000 2.144 384 D HA -0.087 4.541 4.640 -0.021 0.000 0.200 384 D C 1.768 178.009 176.300 -0.099 0.000 0.978 384 D CA 1.205 55.148 54.000 -0.095 0.000 0.833 384 D CB -0.222 40.535 40.800 -0.072 0.000 0.961 384 D HN 0.268 nan 8.370 nan 0.000 0.470 385 A N 0.992 123.769 122.820 -0.072 0.000 1.877 385 A HA -0.244 4.063 4.320 -0.021 0.000 0.216 385 A C 2.173 179.720 177.584 -0.062 0.000 1.186 385 A CA 1.850 53.854 52.037 -0.056 0.000 0.620 385 A CB -0.791 18.186 19.000 -0.039 0.000 0.822 385 A HN 0.247 nan 8.150 nan 0.000 0.443 386 Q N -0.675 119.085 119.800 -0.067 0.000 2.061 386 Q HA -0.300 4.027 4.340 -0.021 0.000 0.204 386 Q C 2.291 178.218 176.000 -0.121 0.000 0.984 386 Q CA 2.098 57.858 55.803 -0.071 0.000 0.846 386 Q CB -0.226 28.475 28.738 -0.061 0.000 0.902 386 Q HN 0.806 nan 8.270 nan 0.000 0.421 387 Q N -0.214 119.467 119.800 -0.199 0.000 2.084 387 Q HA -0.187 4.141 4.340 -0.021 0.000 0.202 387 Q C 2.090 177.799 176.000 -0.485 0.000 0.978 387 Q CA 1.733 57.288 55.803 -0.414 0.000 0.844 387 Q CB -0.068 28.371 28.738 -0.498 0.000 0.898 387 Q HN 0.485 nan 8.270 nan 0.000 0.426 388 M N -0.125 119.316 119.600 -0.266 0.000 2.108 388 M HA -0.186 4.282 4.480 -0.021 0.000 0.261 388 M C 2.024 178.318 176.300 -0.009 0.000 1.066 388 M CA 1.398 56.627 55.300 -0.119 0.000 1.107 388 M CB -0.125 32.444 32.600 -0.052 0.000 1.356 388 M HN 0.292 nan 8.290 nan 0.000 0.406 389 I N -0.575 119.987 120.570 -0.013 0.000 2.353 389 I HA -0.231 3.926 4.170 -0.021 0.000 0.248 389 I C 2.053 178.231 176.117 0.102 0.000 1.119 389 I CA 0.851 62.177 61.300 0.043 0.000 1.417 389 I CB -0.173 37.836 38.000 0.015 0.000 1.078 389 I HN 0.186 nan 8.210 nan 0.000 0.421 390 I N 0.087 120.702 120.570 0.075 0.000 2.252 390 I HA -0.291 3.867 4.170 -0.021 0.000 0.245 390 I C 2.295 178.637 176.117 0.375 0.000 1.102 390 I CA 1.732 63.145 61.300 0.189 0.000 1.385 390 I CB -0.590 37.486 38.000 0.126 0.000 1.064 390 I HN 0.161 nan 8.210 nan 0.000 0.414 391 Y N -0.166 120.193 120.300 0.098 0.000 2.224 391 Y HA -0.275 4.264 4.550 -0.019 0.000 0.289 391 Y C 2.529 178.476 175.900 0.080 0.000 1.146 391 Y CA 0.332 58.478 58.100 0.077 0.000 1.182 391 Y CB -0.288 38.196 38.460 0.041 0.000 0.983 391 Y HN 0.184 nan 8.280 nan 0.000 0.524 392 A N 0.116 123.089 122.820 0.255 0.000 1.930 392 A HA -0.221 4.087 4.320 -0.021 0.000 0.217 392 A C 1.926 179.614 177.584 0.172 0.000 1.175 392 A CA 1.200 53.337 52.037 0.166 0.000 0.627 392 A CB -1.104 17.976 19.000 0.134 0.000 0.815 392 A HN 0.528 nan 8.150 nan 0.000 0.443 393 F N 1.016 121.007 119.950 0.068 0.000 2.134 393 F HA -0.035 4.481 4.527 -0.020 0.000 0.299 393 F C 2.266 178.091 175.800 0.042 0.000 1.097 393 F CA 1.337 59.363 58.000 0.044 0.000 1.264 393 F CB -0.280 38.746 39.000 0.044 0.000 1.001 393 F HN 0.206 nan 8.300 nan 0.000 0.479 394 A N -0.274 122.579 122.820 0.055 0.000 2.251 394 A HA 0.389 4.697 4.320 -0.021 0.000 0.209 394 A C 2.208 179.770 177.584 -0.036 0.000 1.187 394 A CA 0.706 52.717 52.037 -0.044 0.000 0.823 394 A CB -1.231 17.838 19.000 0.114 0.000 0.846 394 A HN 0.444 nan 8.150 nan 0.000 0.486 395 A N 0.625 123.434 122.820 -0.018 0.000 1.903 395 A HA -0.289 4.019 4.320 -0.021 0.000 0.219 395 A C 1.933 179.486 177.584 -0.051 0.000 1.191 395 A CA 2.010 54.032 52.037 -0.025 0.000 0.638 395 A CB -0.546 18.453 19.000 -0.001 0.000 0.823 395 A HN 0.652 nan 8.150 nan 0.000 0.451 396 E N -0.569 119.581 120.200 -0.084 0.000 2.204 396 E HA -0.116 4.221 4.350 -0.021 0.000 0.194 396 E C 1.815 178.368 176.600 -0.078 0.000 0.989 396 E CA 0.896 57.241 56.400 -0.092 0.000 0.824 396 E CB -0.150 29.475 29.700 -0.124 0.000 0.756 396 E HN 0.691 nan 8.360 nan 0.000 0.477 397 L N -0.042 121.146 121.223 -0.058 0.000 2.127 397 L HA -0.057 4.271 4.340 -0.021 0.000 0.203 397 L C 2.817 179.785 176.870 0.164 0.000 1.080 397 L CA 1.409 56.260 54.840 0.018 0.000 0.768 397 L CB -0.503 41.540 42.059 -0.027 0.000 0.924 397 L HN 0.257 nan 8.230 nan 0.000 0.444 398 T N -3.517 111.112 114.554 0.124 0.000 2.857 398 T HA -0.093 4.244 4.350 -0.021 0.000 0.266 398 T C 1.665 176.325 174.700 -0.068 0.000 1.048 398 T CA 0.689 62.802 62.100 0.021 0.000 1.139 398 T CB -0.172 68.639 68.868 -0.095 0.000 0.874 398 T HN 0.143 nan 8.240 nan 0.000 0.455 399 E N 1.711 121.872 120.200 -0.064 0.000 2.274 399 E HA 0.149 4.487 4.350 -0.021 0.000 0.194 399 E C 2.372 178.911 176.600 -0.102 0.000 0.996 399 E CA 0.926 57.279 56.400 -0.079 0.000 0.840 399 E CB -0.523 29.140 29.700 -0.062 0.000 0.772 399 E HN 0.728 nan 8.360 nan 0.000 0.491 400 A N 0.760 123.503 122.820 -0.128 0.000 2.168 400 A HA -0.040 4.268 4.320 -0.021 0.000 0.215 400 A C 2.182 179.542 177.584 -0.374 0.000 1.152 400 A CA 0.388 52.292 52.037 -0.222 0.000 0.716 400 A CB -0.498 18.378 19.000 -0.207 0.000 0.794 400 A HN 0.170 nan 8.150 nan 0.000 0.465 401 L N -1.645 119.410 121.223 -0.280 0.000 2.201 401 L HA -0.101 4.227 4.340 -0.021 0.000 0.212 401 L C 0.829 177.617 176.870 -0.137 0.000 1.105 401 L CA 0.305 55.001 54.840 -0.241 0.000 0.775 401 L CB -0.244 41.707 42.059 -0.180 0.000 0.913 401 L HN 0.321 nan 8.230 nan 0.000 0.440 402 R N 0.734 121.172 120.500 -0.104 0.000 3.516 402 R HA -0.199 4.128 4.340 -0.021 0.000 0.271 402 R C -0.471 175.802 176.300 -0.045 0.000 1.098 402 R CA 0.803 56.873 56.100 -0.051 0.000 0.732 402 R CB -2.431 27.865 30.300 -0.007 0.000 1.152 402 R HN 0.423 nan 8.270 nan 0.000 0.455 403 D N -0.677 119.683 120.400 -0.066 0.000 2.318 403 D HA 0.122 4.749 4.640 -0.021 0.000 0.233 403 D C 0.782 177.035 176.300 -0.077 0.000 1.348 403 D CA -0.293 53.670 54.000 -0.062 0.000 0.983 403 D CB 0.923 41.685 40.800 -0.062 0.000 1.416 403 D HN -0.033 nan 8.370 nan 0.000 0.558 404 E N 2.336 122.499 120.200 -0.063 0.000 2.058 404 E HA -0.108 4.229 4.350 -0.021 0.000 0.194 404 E C 1.916 178.473 176.600 -0.071 0.000 0.997 404 E CA 2.175 58.536 56.400 -0.066 0.000 0.801 404 E CB -0.364 29.308 29.700 -0.047 0.000 0.746 404 E HN 0.610 nan 8.360 nan 0.000 0.450 405 G N 0.533 109.296 108.800 -0.061 0.000 2.446 405 G HA2 -0.268 3.680 3.960 -0.021 0.000 0.217 405 G HA3 -0.268 3.680 3.960 -0.021 0.000 0.217 405 G C 1.521 176.373 174.900 -0.079 0.000 1.168 405 G CA 1.037 46.101 45.100 -0.060 0.000 0.771 405 G HN 0.344 nan 8.290 nan 0.000 0.551 406 L N 0.859 122.025 121.223 -0.095 0.000 2.056 406 L HA 0.109 4.437 4.340 -0.021 0.000 0.207 406 L C 2.689 179.466 176.870 -0.156 0.000 1.078 406 L CA 2.367 57.133 54.840 -0.125 0.000 0.749 406 L CB -0.625 41.354 42.059 -0.132 0.000 0.901 406 L HN 0.286 nan 8.230 nan 0.000 0.433 407 K N -1.178 119.126 120.400 -0.161 0.000 2.074 407 K HA -0.251 4.056 4.320 -0.021 0.000 0.209 407 K C 2.011 178.495 176.600 -0.193 0.000 1.048 407 K CA 1.708 57.876 56.287 -0.199 0.000 0.926 407 K CB -0.061 32.342 32.500 -0.162 0.000 0.713 407 K HN 0.393 nan 8.250 nan 0.000 0.444 408 Q N 0.522 120.240 119.800 -0.137 0.000 2.119 408 Q HA -0.165 4.163 4.340 -0.021 0.000 0.201 408 Q C 2.049 177.988 176.000 -0.101 0.000 0.972 408 Q CA 1.534 57.270 55.803 -0.112 0.000 0.847 408 Q CB -0.096 28.602 28.738 -0.067 0.000 0.903 408 Q HN 0.554 nan 8.270 nan 0.000 0.433 409 Q N -0.355 119.391 119.800 -0.091 0.000 2.172 409 Q HA -0.043 4.285 4.340 -0.021 0.000 0.200 409 Q C 2.202 178.166 176.000 -0.060 0.000 0.964 409 Q CA 0.986 56.757 55.803 -0.053 0.000 0.855 409 Q CB 0.151 28.867 28.738 -0.036 0.000 0.918 409 Q HN 0.130 nan 8.270 nan 0.000 0.444 410 V N 1.031 120.867 119.914 -0.130 0.000 2.427 410 V HA -0.219 3.889 4.120 -0.021 0.000 0.248 410 V C 2.102 178.059 176.094 -0.228 0.000 1.051 410 V CA 1.367 63.556 62.300 -0.184 0.000 1.048 410 V CB -0.392 31.150 31.823 -0.469 0.000 0.666 410 V HN 0.348 nan 8.190 nan 0.000 0.456 411 L N 0.076 121.140 121.223 -0.265 0.000 2.083 411 L HA -0.139 4.188 4.340 -0.021 0.000 0.209 411 L C 2.719 179.518 176.870 -0.117 0.000 1.083 411 L CA 1.441 56.072 54.840 -0.349 0.000 0.752 411 L CB -0.734 40.999 42.059 -0.544 0.000 0.899 411 L HN 0.369 nan 8.230 nan 0.000 0.433 412 A N 0.192 122.970 122.820 -0.070 0.000 1.933 412 A HA -0.258 4.050 4.320 -0.021 0.000 0.218 412 A C 2.337 179.898 177.584 -0.038 0.000 1.175 412 A CA 1.853 53.887 52.037 -0.005 0.000 0.628 412 A CB -0.455 18.538 19.000 -0.012 0.000 0.814 412 A HN 0.293 nan 8.150 nan 0.000 0.444 413 R N -0.109 120.313 120.500 -0.130 0.000 2.092 413 R HA -0.050 4.277 4.340 -0.021 0.000 0.231 413 R C 1.754 177.960 176.300 -0.156 0.000 1.119 413 R CA 1.531 57.481 56.100 -0.251 0.000 0.970 413 R CB -0.447 29.471 30.300 -0.636 0.000 0.864 413 R HN 0.444 nan 8.270 nan 0.000 0.440 414 I N 0.029 120.553 120.570 -0.076 0.000 2.163 414 I HA -0.082 4.076 4.170 -0.021 0.000 0.240 414 I C 2.263 178.451 176.117 0.119 0.000 1.081 414 I CA 1.855 63.181 61.300 0.043 0.000 1.353 414 I CB -1.741 36.323 38.000 0.107 0.000 1.054 414 I HN 0.411 nan 8.210 nan 0.000 0.407 415 G N 0.168 109.090 108.800 0.203 0.000 2.450 415 G HA2 -0.263 3.685 3.960 -0.021 0.000 0.220 415 G HA3 -0.263 3.685 3.960 -0.021 0.000 0.220 415 G C 1.555 176.486 174.900 0.051 0.000 1.130 415 G CA 0.393 45.588 45.100 0.159 0.000 0.760 415 G HN 0.474 nan 8.290 nan 0.000 0.557 416 Q N -0.496 119.320 119.800 0.026 0.000 2.369 416 Q HA 0.065 4.392 4.340 -0.021 0.000 0.206 416 Q C 2.318 178.315 176.000 -0.005 0.000 0.963 416 Q CA 0.480 56.283 55.803 0.000 0.000 0.894 416 Q CB 0.075 28.801 28.738 -0.019 0.000 0.965 416 Q HN 0.404 nan 8.270 nan 0.000 0.475 417 R N -0.303 120.196 120.500 -0.002 0.000 2.334 417 R HA 0.204 4.532 4.340 -0.021 0.000 0.216 417 R C -0.028 176.276 176.300 0.007 0.000 0.905 417 R CA -0.123 55.976 56.100 -0.001 0.000 1.064 417 R CB 0.385 30.681 30.300 -0.007 0.000 1.046 417 R HN 0.114 nan 8.270 nan 0.000 0.508 418 L N 2.502 123.731 121.223 0.009 0.000 2.395 418 L HA 0.164 4.491 4.340 -0.021 0.000 0.269 418 L C -1.089 175.776 176.870 -0.008 0.000 1.133 418 L CA -1.843 52.997 54.840 0.001 0.000 0.812 418 L CB 0.791 42.845 42.059 -0.009 0.000 1.125 418 L HN -0.119 nan 8.230 nan 0.000 0.452 419 P HA -0.140 nan 4.420 nan 0.000 0.214 419 P C 1.061 178.352 177.300 -0.014 0.000 1.163 419 P CA 1.245 64.338 63.100 -0.011 0.000 0.883 419 P CB 0.103 31.796 31.700 -0.013 0.000 0.788 420 G N -1.092 107.695 108.800 -0.021 0.000 3.186 420 G HA2 0.172 4.119 3.960 -0.021 0.000 0.214 420 G HA3 0.172 4.119 3.960 -0.021 0.000 0.214 420 G C 1.134 176.017 174.900 -0.027 0.000 1.222 420 G CA 0.533 45.618 45.100 -0.024 0.000 0.921 420 G HN 0.465 nan 8.290 nan 0.000 0.504 421 G N -1.085 107.702 108.800 -0.021 0.000 2.798 421 G HA2 0.432 4.379 3.960 -0.021 0.000 0.202 421 G HA3 0.432 4.379 3.960 -0.021 0.000 0.202 421 G C 1.035 175.929 174.900 -0.011 0.000 1.149 421 G CA 0.977 46.065 45.100 -0.020 0.000 0.713 421 G HN 0.504 nan 8.290 nan 0.000 0.749 422 A N -1.476 121.340 122.820 -0.007 0.000 1.773 422 A HA 0.605 4.913 4.320 -0.021 0.000 0.210 422 A C 1.157 178.740 177.584 -0.000 0.000 1.775 422 A CA 1.192 53.227 52.037 -0.002 0.000 1.157 422 A CB 0.170 19.171 19.000 0.000 0.000 1.119 422 A HN 0.349 nan 8.150 nan 0.000 0.501 423 R N 0.000 120.500 120.500 -0.001 0.000 2.786 423 R HA 0.000 4.327 4.340 -0.021 0.000 0.208 423 R CA 0.000 56.101 56.100 0.001 0.000 0.921 423 R CB 0.000 30.299 30.300 -0.001 0.000 0.687 423 R HN 0.000 nan 8.270 nan 0.000 0.535