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 3mof_1_B DATA FIRST_RESID -1 DATA SEQUENCE GSMPPQLHNG LDFSAKVIQG SLDSLPQEVR KFVEGNAQLC QPEYIHICDG DATA SEQUENCE SEEEYGRLLA HMQEEGVIRK LKKYDNCWLA LTDPRDVARI ESKTVIITQE DATA SEQUENCE QRDTVPIPKS GQSQLGRWMS EEDFEKAFNA RFPGCMKGRT MYVIPFSMGP DATA SEQUENCE LGSPLAKIGI ELTDSPYVVA SMRIMTRMGT SVLEALGDGE FIKCLHSVGC DATA SEQUENCE PLPLKKPLVN NWACNPELTL IAHLPDRREI ISFGSGYGGN SLLGKKCFAL DATA SEQUENCE RIASRLAKEE GWLAEHMLIL GITNPEGKKK YLAAAFPSAC GKTNLAMMNP DATA SEQUENCE TLPGWKVECV GDDIAWMKFD AQGNLRAINP ENGFFGVAPG TSVKTNPNAI DATA SEQUENCE KTIQKNTIFT NVAETSDGGV YWEGIDEPLA PGVTITSWKN KEWRPQDEEP DATA SEQUENCE CAHPNSRFCT PASQCPIIDP AWESPEGVPI EGIIFGGRRP AGVPLVYEAL DATA SEQUENCE SWQHGVFVGA AMRSEAXXXX XXXXKVIMHD PFAMRPFFGY NFGKYLAHWL DATA SEQUENCE SMAHRPAAKL PKIFHVNWFR KDKNGKFLWP GFGENSRVLE WMFGRIEGED DATA SEQUENCE SAKLTPIGYV PKEDALNLKG LGDVNVEELF GISKEFWEKE VEEIDKYLED DATA SEQUENCE QVNADLPYEI ERELRALKQR ISQM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 4.147 3.960 0.311 0.000 0.244 -1 G C 0.000 174.921 174.900 0.035 0.000 0.946 -1 G CA 0.000 45.122 45.100 0.036 0.000 0.502 0 S N -0.715 115.007 115.700 0.036 0.000 2.672 0 S HA 0.644 5.301 4.470 0.311 0.000 0.276 0 S C 0.536 175.160 174.600 0.040 0.000 1.207 0 S CA -0.532 57.688 58.200 0.033 0.000 1.002 0 S CB 1.514 64.731 63.200 0.028 0.000 0.998 0 S HN 1.021 nan 8.310 nan 0.000 0.542 1 M N 2.741 122.363 119.600 0.037 0.000 2.217 1 M HA 0.222 4.888 4.480 0.311 0.000 0.352 1 M C -2.238 174.087 176.300 0.042 0.000 1.376 1 M CA -1.507 53.819 55.300 0.042 0.000 1.107 1 M CB 0.329 32.950 32.600 0.034 0.000 1.723 1 M HN 0.450 nan 8.290 nan 0.000 0.461 2 P HA 0.199 nan 4.420 nan 0.000 0.262 2 P C -2.650 174.674 177.300 0.040 0.000 1.199 2 P CA -0.706 62.424 63.100 0.051 0.000 0.763 2 P CB -0.623 31.118 31.700 0.069 0.000 0.790 3 P HA 0.010 nan 4.420 nan 0.000 0.267 3 P C -0.311 177.002 177.300 0.022 0.000 1.201 3 P CA 0.540 63.652 63.100 0.020 0.000 0.775 3 P CB 0.332 32.041 31.700 0.015 0.000 0.854 4 Q N 0.414 120.219 119.800 0.007 0.000 2.522 4 Q HA 0.384 4.910 4.340 0.311 0.000 0.285 4 Q C -0.820 175.153 176.000 -0.044 0.000 0.982 4 Q CA -0.819 54.989 55.803 0.008 0.000 0.805 4 Q CB 0.614 29.371 28.738 0.032 0.000 1.457 4 Q HN 0.133 nan 8.270 nan 0.000 0.394 5 L N 0.043 121.216 121.223 -0.082 0.000 2.554 5 L HA 0.237 4.764 4.340 0.311 0.000 0.225 5 L C 0.174 176.678 176.870 -0.610 0.000 1.104 5 L CA 0.606 55.274 54.840 -0.286 0.000 0.866 5 L CB 0.038 41.931 42.059 -0.277 0.000 1.047 5 L HN 0.689 nan 8.230 nan 0.000 0.468 6 H N -3.045 116.024 119.070 -0.002 0.000 4.258 6 H HA 0.299 5.042 4.556 0.311 0.000 0.430 6 H C -0.129 175.190 175.328 -0.015 0.000 1.305 6 H CA -0.652 55.390 56.048 -0.009 0.000 0.912 6 H CB 0.247 30.002 29.762 -0.011 0.000 0.937 6 H HN -0.258 nan 8.280 nan 0.000 0.783 7 N N -0.306 118.474 118.700 0.134 0.000 2.466 7 N HA 0.180 5.107 4.740 0.311 0.000 0.272 7 N C 0.174 175.671 175.510 -0.021 0.000 1.455 7 N CA 0.316 53.384 53.050 0.031 0.000 0.875 7 N CB 0.772 39.262 38.487 0.004 0.000 1.372 7 N HN 0.646 nan 8.380 nan 0.000 0.492 8 G N -0.606 108.201 108.800 0.011 0.000 3.126 8 G HA2 0.117 4.264 3.960 0.311 0.000 0.224 8 G HA3 0.117 4.264 3.960 0.311 0.000 0.224 8 G C 0.816 175.727 174.900 0.019 0.000 1.142 8 G CA 0.146 45.229 45.100 -0.028 0.000 0.759 8 G HN 0.205 nan 8.290 nan 0.000 0.550 9 L N -0.127 121.132 121.223 0.060 0.000 2.467 9 L HA 0.329 4.856 4.340 0.311 0.000 0.213 9 L C 0.321 177.311 176.870 0.199 0.000 1.053 9 L CA 0.181 55.111 54.840 0.149 0.000 0.847 9 L CB 0.327 42.455 42.059 0.115 0.000 1.075 9 L HN 0.011 nan 8.230 nan 0.000 0.479 10 D N -0.596 119.863 120.400 0.099 0.000 2.336 10 D HA 0.018 4.844 4.640 0.311 0.000 0.249 10 D C 0.471 176.820 176.300 0.082 0.000 1.213 10 D CA 0.198 54.263 54.000 0.108 0.000 0.870 10 D CB 0.405 41.236 40.800 0.051 0.000 1.076 10 D HN 0.040 nan 8.370 nan 0.000 0.483 11 F N 1.937 121.897 119.950 0.018 0.000 2.692 11 F HA 0.033 4.748 4.527 0.315 0.000 0.303 11 F C 2.289 178.100 175.800 0.019 0.000 1.114 11 F CA -0.213 57.797 58.000 0.017 0.000 1.361 11 F CB 0.344 39.351 39.000 0.012 0.000 1.063 11 F HN 0.313 nan 8.300 nan 0.000 0.550 12 S N 0.452 116.227 115.700 0.125 0.000 2.387 12 S HA -0.287 4.370 4.470 0.311 0.000 0.230 12 S C 2.374 177.006 174.600 0.054 0.000 1.035 12 S CA 1.321 59.569 58.200 0.079 0.000 1.014 12 S CB -0.388 62.842 63.200 0.049 0.000 0.836 12 S HN 0.457 nan 8.310 nan 0.000 0.466 13 A N 0.867 123.702 122.820 0.024 0.000 2.168 13 A HA 0.017 4.524 4.320 0.311 0.000 0.215 13 A C 1.794 179.411 177.584 0.055 0.000 1.152 13 A CA 0.900 52.947 52.037 0.016 0.000 0.716 13 A CB -0.163 18.827 19.000 -0.017 0.000 0.794 13 A HN 0.431 nan 8.150 nan 0.000 0.465 14 K N -0.431 120.026 120.400 0.095 0.000 2.372 14 K HA 0.238 4.744 4.320 0.311 0.000 0.200 14 K C -0.597 176.123 176.600 0.199 0.000 1.022 14 K CA -0.120 56.286 56.287 0.199 0.000 1.125 14 K CB 0.810 33.445 32.500 0.226 0.000 0.855 14 K HN 0.207 nan 8.250 nan 0.000 0.524 15 V N 3.385 123.364 119.914 0.108 0.000 2.408 15 V HA 0.079 4.386 4.120 0.311 0.000 0.267 15 V C 1.160 177.238 176.094 -0.025 0.000 1.047 15 V CA -0.049 62.283 62.300 0.054 0.000 0.937 15 V CB 0.640 32.486 31.823 0.040 0.000 0.999 15 V HN 0.264 nan 8.190 nan 0.000 0.472 16 I N 1.753 122.275 120.570 -0.080 0.000 3.783 16 I HA 0.378 4.734 4.170 0.311 0.000 0.310 16 I C 0.625 176.627 176.117 -0.192 0.000 1.274 16 I CA 0.404 61.601 61.300 -0.171 0.000 1.294 16 I CB 0.305 38.122 38.000 -0.304 0.000 1.051 16 I HN 0.605 nan 8.210 nan 0.000 0.435 17 Q N 1.375 121.031 119.800 -0.240 0.000 2.284 17 Q HA 0.545 5.072 4.340 0.311 0.000 0.269 17 Q C -0.200 175.686 176.000 -0.191 0.000 1.026 17 Q CA 0.102 55.725 55.803 -0.299 0.000 0.831 17 Q CB 2.230 30.564 28.738 -0.673 0.000 1.322 17 Q HN 0.508 nan 8.270 nan 0.000 0.419 18 G N 1.660 110.389 108.800 -0.119 0.000 2.545 18 G HA2 -0.114 4.032 3.960 0.311 0.000 0.216 18 G HA3 -0.114 4.032 3.960 0.311 0.000 0.216 18 G C -0.979 173.898 174.900 -0.038 0.000 1.314 18 G CA -0.238 44.822 45.100 -0.066 0.000 0.906 18 G HN 1.024 nan 8.290 nan 0.000 0.563 19 S N -1.409 114.280 115.700 -0.018 0.000 2.603 19 S HA 0.562 5.219 4.470 0.311 0.000 0.274 19 S C 1.116 175.721 174.600 0.008 0.000 1.168 19 S CA 0.191 58.389 58.200 -0.003 0.000 0.963 19 S CB 1.222 64.420 63.200 -0.004 0.000 1.078 19 S HN 1.085 nan 8.310 nan 0.000 0.477 20 L N 2.794 124.030 121.223 0.022 0.000 2.131 20 L HA -0.035 4.492 4.340 0.311 0.000 0.210 20 L C 1.683 178.569 176.870 0.027 0.000 1.092 20 L CA 1.092 55.950 54.840 0.031 0.000 0.759 20 L CB -0.373 41.717 42.059 0.051 0.000 0.903 20 L HN 0.623 nan 8.230 nan 0.000 0.435 21 D N -0.388 120.026 120.400 0.024 0.000 2.149 21 D HA -0.148 4.679 4.640 0.311 0.000 0.198 21 D C 2.357 178.666 176.300 0.015 0.000 0.990 21 D CA 1.206 55.218 54.000 0.020 0.000 0.839 21 D CB 0.019 40.829 40.800 0.016 0.000 0.948 21 D HN 0.123 nan 8.370 nan 0.000 0.460 22 S N -0.323 115.382 115.700 0.009 0.000 2.461 22 S HA 0.057 4.714 4.470 0.311 0.000 0.228 22 S C 1.027 175.629 174.600 0.002 0.000 1.005 22 S CA -0.035 58.167 58.200 0.004 0.000 0.942 22 S CB 0.169 63.368 63.200 -0.001 0.000 0.776 22 S HN 0.197 nan 8.310 nan 0.000 0.514 23 L N 2.400 123.626 121.223 0.005 0.000 2.461 23 L HA 0.205 4.731 4.340 0.311 0.000 0.272 23 L C -2.337 174.536 176.870 0.005 0.000 1.197 23 L CA -1.921 52.918 54.840 -0.001 0.000 0.836 23 L CB -0.208 41.854 42.059 0.004 0.000 1.105 23 L HN -0.041 nan 8.230 nan 0.000 0.477 24 P HA -0.002 nan 4.420 nan 0.000 0.269 24 P C -0.052 177.275 177.300 0.045 0.000 1.209 24 P CA -0.241 62.867 63.100 0.014 0.000 0.776 24 P CB 0.640 32.338 31.700 -0.003 0.000 0.876 25 Q N 1.898 121.735 119.800 0.061 0.000 2.096 25 Q HA -0.238 4.289 4.340 0.311 0.000 0.204 25 Q C 1.532 177.602 176.000 0.117 0.000 0.982 25 Q CA 1.986 57.834 55.803 0.074 0.000 0.850 25 Q CB -0.467 28.307 28.738 0.061 0.000 0.901 25 Q HN 0.353 nan 8.270 nan 0.000 0.422 26 E N -0.753 119.545 120.200 0.164 0.000 2.150 26 E HA -0.083 4.453 4.350 0.311 0.000 0.193 26 E C 2.059 178.893 176.600 0.391 0.000 0.985 26 E CA 0.967 57.523 56.400 0.260 0.000 0.814 26 E CB -0.178 29.697 29.700 0.291 0.000 0.752 26 E HN 0.274 nan 8.360 nan 0.000 0.466 27 V N 1.309 121.366 119.914 0.237 0.000 2.358 27 V HA -0.225 4.082 4.120 0.311 0.000 0.246 27 V C 2.604 178.798 176.094 0.166 0.000 1.047 27 V CA 1.888 64.245 62.300 0.095 0.000 1.035 27 V CB -0.518 31.195 31.823 -0.183 0.000 0.658 27 V HN 0.184 nan 8.190 nan 0.000 0.452 28 R N 0.342 120.908 120.500 0.110 0.000 2.083 28 R HA -0.189 4.338 4.340 0.311 0.000 0.237 28 R C 2.434 178.798 176.300 0.106 0.000 1.137 28 R CA 1.728 57.879 56.100 0.085 0.000 0.951 28 R CB -0.211 30.128 30.300 0.065 0.000 0.851 28 R HN 0.439 nan 8.270 nan 0.000 0.434 29 K N -0.300 120.187 120.400 0.146 0.000 2.063 29 K HA -0.206 4.301 4.320 0.311 0.000 0.208 29 K C 2.000 178.713 176.600 0.188 0.000 1.048 29 K CA 1.661 58.035 56.287 0.145 0.000 0.928 29 K CB -0.409 32.180 32.500 0.149 0.000 0.713 29 K HN 0.172 nan 8.250 nan 0.000 0.442 30 F N 1.933 121.949 119.950 0.109 0.000 2.102 30 F HA -0.216 4.498 4.527 0.311 0.000 0.298 30 F C 2.043 177.880 175.800 0.061 0.000 1.105 30 F CA 1.104 59.175 58.000 0.118 0.000 1.239 30 F CB -0.548 38.607 39.000 0.258 0.000 0.991 30 F HN -0.283 nan 8.300 nan 0.000 0.474 31 V N 0.569 120.401 119.914 -0.138 0.000 2.261 31 V HA -0.282 4.024 4.120 0.311 0.000 0.246 31 V C 2.423 178.356 176.094 -0.269 0.000 1.047 31 V CA 2.339 64.476 62.300 -0.271 0.000 1.015 31 V CB -0.740 31.017 31.823 -0.110 0.000 0.642 31 V HN 0.328 nan 8.190 nan 0.000 0.446 32 E N 0.163 120.270 120.200 -0.155 0.000 2.072 32 E HA -0.151 4.386 4.350 0.311 0.000 0.191 32 E C 2.321 178.811 176.600 -0.183 0.000 0.985 32 E CA 1.242 57.536 56.400 -0.177 0.000 0.801 32 E CB -0.482 29.212 29.700 -0.011 0.000 0.750 32 E HN 0.644 nan 8.360 nan 0.000 0.452 33 G N 1.533 110.284 108.800 -0.081 0.000 2.440 33 G HA2 -0.262 3.884 3.960 0.311 0.000 0.218 33 G HA3 -0.262 3.884 3.960 0.311 0.000 0.218 33 G C 1.461 176.305 174.900 -0.093 0.000 1.154 33 G CA 0.587 45.663 45.100 -0.039 0.000 0.767 33 G HN 0.150 nan 8.290 nan 0.000 0.552 34 N N 0.957 119.547 118.700 -0.182 0.000 2.354 34 N HA -0.005 4.921 4.740 0.311 0.000 0.179 34 N C 2.539 177.903 175.510 -0.243 0.000 1.021 34 N CA 0.904 53.840 53.050 -0.189 0.000 0.887 34 N CB -0.165 38.151 38.487 -0.286 0.000 0.974 34 N HN 0.306 nan 8.380 nan 0.000 0.437 35 A N 1.466 124.028 122.820 -0.431 0.000 1.902 35 A HA -0.194 4.313 4.320 0.311 0.000 0.217 35 A C 2.165 179.404 177.584 -0.574 0.000 1.181 35 A CA 1.297 52.892 52.037 -0.737 0.000 0.623 35 A CB -0.530 17.553 19.000 -1.527 0.000 0.818 35 A HN 0.321 nan 8.150 nan 0.000 0.443 36 Q N -1.139 118.457 119.800 -0.340 0.000 2.084 36 Q HA -0.130 4.396 4.340 0.311 0.000 0.202 36 Q C 2.095 178.129 176.000 0.056 0.000 0.978 36 Q CA 1.495 57.331 55.803 0.055 0.000 0.844 36 Q CB -0.320 28.482 28.738 0.105 0.000 0.898 36 Q HN 0.628 nan 8.270 nan 0.000 0.426 37 L N -0.331 120.895 121.223 0.005 0.000 2.023 37 L HA -0.098 4.428 4.340 0.311 0.000 0.205 37 L C 1.905 178.796 176.870 0.034 0.000 1.073 37 L CA 1.747 56.609 54.840 0.037 0.000 0.745 37 L CB -0.451 41.643 42.059 0.058 0.000 0.900 37 L HN 0.225 nan 8.230 nan 0.000 0.435 38 C N -0.425 118.884 119.300 0.015 0.000 2.514 38 C HA 0.127 4.774 4.460 0.311 0.000 0.271 38 C C 1.270 176.277 174.990 0.028 0.000 1.399 38 C CA 0.036 59.076 59.018 0.037 0.000 1.765 38 C CB -1.089 26.681 27.740 0.050 0.000 1.893 38 C HN 0.707 nan 8.230 nan 0.000 0.531 39 Q N -0.630 119.198 119.800 0.046 0.000 2.468 39 Q HA -0.161 4.366 4.340 0.311 0.000 0.289 39 Q C -2.264 173.780 176.000 0.074 0.000 1.299 39 Q CA 0.071 55.940 55.803 0.109 0.000 0.838 39 Q CB -1.380 27.403 28.738 0.075 0.000 1.195 39 Q HN 0.523 nan 8.270 nan 0.000 0.456 40 P HA -0.112 nan 4.420 nan 0.000 0.269 40 P C 0.304 177.618 177.300 0.023 0.000 1.215 40 P CA 0.398 63.507 63.100 0.014 0.000 0.780 40 P CB 0.788 32.482 31.700 -0.010 0.000 0.898 41 E N 0.893 121.027 120.200 -0.111 0.000 2.107 41 E HA -0.114 4.423 4.350 0.311 0.000 0.191 41 E C -0.271 176.119 176.600 -0.351 0.000 0.982 41 E CA 1.027 57.235 56.400 -0.321 0.000 0.809 41 E CB 0.074 29.430 29.700 -0.574 0.000 0.756 41 E HN 0.425 nan 8.360 nan 0.000 0.459 42 Y N -1.038 119.276 120.300 0.023 0.000 2.588 42 Y HA 0.485 5.221 4.550 0.310 0.000 0.343 42 Y C -0.536 175.348 175.900 -0.027 0.000 1.065 42 Y CA -1.178 56.925 58.100 0.006 0.000 1.038 42 Y CB 1.485 39.924 38.460 -0.035 0.000 1.297 42 Y HN -0.164 nan 8.280 nan 0.000 0.467 43 I N 1.446 122.122 120.570 0.177 0.000 2.466 43 I HA 0.312 4.669 4.170 0.311 0.000 0.289 43 I C -1.143 175.000 176.117 0.044 0.000 1.026 43 I CA -0.587 60.748 61.300 0.058 0.000 1.078 43 I CB 1.887 39.922 38.000 0.059 0.000 1.249 43 I HN 0.650 nan 8.210 nan 0.000 0.429 44 H N 6.669 125.670 119.070 -0.114 0.000 2.708 44 H HA 0.555 5.298 4.556 0.311 0.000 0.320 44 H C -1.120 174.231 175.328 0.038 0.000 0.991 44 H CA -0.565 55.448 56.048 -0.058 0.000 1.243 44 H CB 1.067 30.750 29.762 -0.133 0.000 1.446 44 H HN 0.492 nan 8.280 nan 0.000 0.502 45 I N 5.965 126.547 120.570 0.020 0.000 2.337 45 I HA 0.090 4.446 4.170 0.311 0.000 0.291 45 I C 0.080 176.277 176.117 0.134 0.000 1.046 45 I CA -0.472 60.883 61.300 0.092 0.000 1.324 45 I CB 0.481 38.493 38.000 0.019 0.000 1.409 45 I HN 0.640 nan 8.210 nan 0.000 0.494 46 C N 5.099 124.565 119.300 0.276 0.000 2.637 46 C HA 0.054 4.701 4.460 0.311 0.000 0.418 46 C C 1.483 176.559 174.990 0.144 0.000 1.319 46 C CA -0.451 58.739 59.018 0.287 0.000 1.949 46 C CB -0.092 27.800 27.740 0.253 0.000 2.639 46 C HN 0.815 nan 8.230 nan 0.000 0.594 47 D N 0.056 120.531 120.400 0.125 0.000 2.379 47 D HA 0.154 4.981 4.640 0.311 0.000 0.208 47 D C 1.478 177.815 176.300 0.061 0.000 1.065 47 D CA 0.682 54.724 54.000 0.070 0.000 0.848 47 D CB -0.247 40.579 40.800 0.044 0.000 0.949 47 D HN 0.944 nan 8.370 nan 0.000 0.509 48 G N 0.597 109.441 108.800 0.073 0.000 2.189 48 G HA2 -0.311 3.836 3.960 0.311 0.000 0.267 48 G HA3 -0.311 3.836 3.960 0.311 0.000 0.267 48 G C 0.462 175.378 174.900 0.026 0.000 0.975 48 G CA 0.711 45.830 45.100 0.032 0.000 0.644 48 G HN 0.881 nan 8.290 nan 0.000 0.537 49 S N -0.569 115.165 115.700 0.057 0.000 2.593 49 S HA 0.465 5.122 4.470 0.311 0.000 0.269 49 S C 1.119 175.774 174.600 0.091 0.000 1.334 49 S CA 0.557 58.793 58.200 0.060 0.000 1.015 49 S CB 1.552 64.789 63.200 0.062 0.000 0.912 49 S HN 0.396 nan 8.310 nan 0.000 0.541 50 E N 1.106 121.362 120.200 0.092 0.000 2.077 50 E HA -0.206 4.330 4.350 0.311 0.000 0.193 50 E C 2.196 178.892 176.600 0.160 0.000 0.989 50 E CA 1.580 58.067 56.400 0.146 0.000 0.800 50 E CB -0.133 29.638 29.700 0.118 0.000 0.746 50 E HN 0.936 nan 8.360 nan 0.000 0.452 51 E N 1.199 121.465 120.200 0.111 0.000 2.077 51 E HA -0.274 4.263 4.350 0.311 0.000 0.193 51 E C 2.063 178.722 176.600 0.099 0.000 0.989 51 E CA 1.322 57.777 56.400 0.092 0.000 0.800 51 E CB -0.329 29.412 29.700 0.069 0.000 0.746 51 E HN 0.310 nan 8.360 nan 0.000 0.452 52 E N 0.274 120.548 120.200 0.122 0.000 2.077 52 E HA -0.261 4.276 4.350 0.311 0.000 0.193 52 E C 2.077 178.755 176.600 0.130 0.000 0.989 52 E CA 1.112 57.599 56.400 0.145 0.000 0.800 52 E CB -0.361 29.450 29.700 0.186 0.000 0.746 52 E HN 0.373 nan 8.360 nan 0.000 0.452 53 Y N 0.891 121.189 120.300 -0.004 0.000 2.089 53 Y HA -0.082 4.655 4.550 0.312 0.000 0.282 53 Y C 2.272 178.132 175.900 -0.067 0.000 1.139 53 Y CA 2.160 60.229 58.100 -0.052 0.000 1.123 53 Y CB -0.961 37.479 38.460 -0.034 0.000 0.980 53 Y HN 0.112 nan 8.280 nan 0.000 0.493 54 G N -0.097 108.661 108.800 -0.069 0.000 2.440 54 G HA2 -0.263 3.884 3.960 0.311 0.000 0.218 54 G HA3 -0.263 3.884 3.960 0.311 0.000 0.218 54 G C 1.846 176.672 174.900 -0.124 0.000 1.154 54 G CA 0.940 45.958 45.100 -0.137 0.000 0.767 54 G HN 0.374 nan 8.290 nan 0.000 0.552 55 R N -0.906 119.568 120.500 -0.044 0.000 2.092 55 R HA 0.064 4.591 4.340 0.311 0.000 0.231 55 R C 2.447 178.725 176.300 -0.037 0.000 1.119 55 R CA 0.719 56.809 56.100 -0.016 0.000 0.970 55 R CB -0.425 29.888 30.300 0.022 0.000 0.864 55 R HN 0.314 nan 8.270 nan 0.000 0.440 56 L N 1.046 122.222 121.223 -0.078 0.000 2.046 56 L HA -0.127 4.400 4.340 0.311 0.000 0.208 56 L C 1.949 178.700 176.870 -0.199 0.000 1.077 56 L CA 1.568 56.352 54.840 -0.092 0.000 0.747 56 L CB -0.437 41.534 42.059 -0.146 0.000 0.896 56 L HN 0.141 nan 8.230 nan 0.000 0.432 57 L N -0.997 119.968 121.223 -0.429 0.000 2.012 57 L HA -0.228 4.299 4.340 0.311 0.000 0.210 57 L C 2.640 179.202 176.870 -0.514 0.000 1.073 57 L CA 1.407 55.802 54.840 -0.743 0.000 0.748 57 L CB -0.929 40.354 42.059 -1.294 0.000 0.891 57 L HN 0.328 nan 8.230 nan 0.000 0.431 58 A N -0.768 121.901 122.820 -0.252 0.000 1.940 58 A HA -0.313 4.194 4.320 0.311 0.000 0.219 58 A C 2.136 179.748 177.584 0.048 0.000 1.176 58 A CA 2.096 54.121 52.037 -0.020 0.000 0.631 58 A CB -0.840 18.189 19.000 0.049 0.000 0.814 58 A HN 0.552 nan 8.150 nan 0.000 0.446 59 H N -0.460 118.568 119.070 -0.069 0.000 2.321 59 H HA -0.017 4.726 4.556 0.310 0.000 0.300 59 H C 1.924 177.240 175.328 -0.020 0.000 1.087 59 H CA 2.224 58.255 56.048 -0.027 0.000 1.319 59 H CB -0.365 29.383 29.762 -0.022 0.000 1.379 59 H HN 0.423 nan 8.280 nan 0.000 0.501 60 M N -0.135 119.337 119.600 -0.213 0.000 2.149 60 M HA -0.215 4.452 4.480 0.311 0.000 0.261 60 M C 2.512 178.757 176.300 -0.092 0.000 1.064 60 M CA 1.922 57.089 55.300 -0.221 0.000 1.102 60 M CB -0.245 32.265 32.600 -0.149 0.000 1.369 60 M HN 0.462 nan 8.290 nan 0.000 0.408 61 Q N 0.365 120.150 119.800 -0.025 0.000 2.050 61 Q HA -0.210 4.317 4.340 0.311 0.000 0.202 61 Q C 1.880 177.927 176.000 0.077 0.000 0.980 61 Q CA 1.345 57.213 55.803 0.109 0.000 0.840 61 Q CB 0.089 28.973 28.738 0.243 0.000 0.898 61 Q HN 0.359 nan 8.270 nan 0.000 0.424 62 E N 0.671 120.903 120.200 0.054 0.000 2.110 62 E HA -0.170 4.366 4.350 0.311 0.000 0.193 62 E C 1.542 178.157 176.600 0.025 0.000 0.988 62 E CA 1.061 57.498 56.400 0.060 0.000 0.804 62 E CB -0.002 29.757 29.700 0.099 0.000 0.745 62 E HN 0.489 nan 8.360 nan 0.000 0.458 63 E N -0.484 119.687 120.200 -0.048 0.000 2.511 63 E HA 0.027 4.564 4.350 0.311 0.000 0.196 63 E C 0.864 177.455 176.600 -0.014 0.000 1.066 63 E CA 0.440 56.803 56.400 -0.060 0.000 0.871 63 E CB 0.101 29.690 29.700 -0.184 0.000 0.863 63 E HN 0.325 nan 8.360 nan 0.000 0.520 64 G N 1.193 110.005 108.800 0.020 0.000 2.153 64 G HA2 -0.304 3.843 3.960 0.311 0.000 0.252 64 G HA3 -0.304 3.843 3.960 0.311 0.000 0.252 64 G C 0.988 175.932 174.900 0.073 0.000 0.994 64 G CA 0.474 45.608 45.100 0.056 0.000 0.698 64 G HN 0.276 nan 8.290 nan 0.000 0.521 65 V N 0.214 120.159 119.914 0.053 0.000 2.591 65 V HA 0.225 4.531 4.120 0.311 0.000 0.249 65 V C 1.544 177.747 176.094 0.181 0.000 1.053 65 V CA 2.053 64.409 62.300 0.094 0.000 1.068 65 V CB -0.333 31.500 31.823 0.017 0.000 0.689 65 V HN 0.770 nan 8.190 nan 0.000 0.462 66 I N -2.658 118.019 120.570 0.178 0.000 3.042 66 I HA 0.639 4.995 4.170 0.311 0.000 0.310 66 I C -0.575 175.722 176.117 0.300 0.000 1.117 66 I CA -1.171 60.293 61.300 0.274 0.000 1.003 66 I CB 2.272 40.455 38.000 0.304 0.000 1.228 66 I HN -0.208 nan 8.210 nan 0.000 0.443 67 R N 2.018 122.721 120.500 0.339 0.000 2.637 67 R HA 0.460 4.986 4.340 0.311 0.000 0.291 67 R C -0.855 175.624 176.300 0.299 0.000 0.963 67 R CA -1.011 55.256 56.100 0.279 0.000 0.901 67 R CB 2.415 32.817 30.300 0.169 0.000 1.160 67 R HN 0.566 nan 8.270 nan 0.000 0.457 68 K N 2.559 123.018 120.400 0.098 0.000 2.298 68 K HA 0.165 4.671 4.320 0.311 0.000 0.280 68 K C -0.636 175.818 176.600 -0.244 0.000 1.032 68 K CA -0.184 55.850 56.287 -0.420 0.000 0.958 68 K CB 0.555 32.680 32.500 -0.626 0.000 0.978 68 K HN 0.428 nan 8.250 nan 0.000 0.472 69 L N 6.555 127.614 121.223 -0.273 0.000 2.302 69 L HA 0.170 4.697 4.340 0.311 0.000 0.285 69 L C 1.118 177.851 176.870 -0.229 0.000 1.090 69 L CA -0.266 54.486 54.840 -0.147 0.000 0.866 69 L CB 0.803 42.881 42.059 0.033 0.000 1.244 69 L HN 0.686 nan 8.230 nan 0.000 0.435 70 K N 1.737 121.998 120.400 -0.231 0.000 2.211 70 K HA -0.196 4.310 4.320 0.311 0.000 0.204 70 K C 1.740 178.182 176.600 -0.264 0.000 1.047 70 K CA 1.061 57.218 56.287 -0.217 0.000 0.935 70 K CB 0.097 32.501 32.500 -0.161 0.000 0.728 70 K HN 0.433 nan 8.250 nan 0.000 0.452 71 K N 0.115 120.251 120.400 -0.439 0.000 2.211 71 K HA -0.087 4.420 4.320 0.311 0.000 0.203 71 K C 0.107 176.395 176.600 -0.520 0.000 1.050 71 K CA 1.004 56.934 56.287 -0.596 0.000 0.945 71 K CB 0.195 32.130 32.500 -0.941 0.000 0.732 71 K HN -0.025 nan 8.250 nan 0.000 0.451 72 Y N -0.299 119.962 120.300 -0.065 0.000 2.699 72 Y HA 0.233 4.970 4.550 0.312 0.000 0.326 72 Y C -0.195 175.680 175.900 -0.042 0.000 1.141 72 Y CA -2.154 55.927 58.100 -0.033 0.000 1.246 72 Y CB 0.317 38.783 38.460 0.010 0.000 1.426 72 Y HN -0.142 nan 8.280 nan 0.000 0.559 73 D N 1.014 121.523 120.400 0.183 0.000 2.396 73 D HA 0.101 4.928 4.640 0.311 0.000 0.225 73 D C -0.307 176.052 176.300 0.098 0.000 1.121 73 D CA -0.189 53.869 54.000 0.098 0.000 0.853 73 D CB -0.194 40.664 40.800 0.097 0.000 1.043 73 D HN 0.614 nan 8.370 nan 0.000 0.500 74 N N 2.693 121.410 118.700 0.030 0.000 2.725 74 N HA -0.206 4.720 4.740 0.311 0.000 0.251 74 N C -1.623 173.933 175.510 0.077 0.000 1.031 74 N CA 0.514 53.611 53.050 0.078 0.000 0.720 74 N CB -1.488 37.150 38.487 0.251 0.000 0.930 74 N HN 0.322 nan 8.380 nan 0.000 0.543 75 C N 0.161 119.361 119.300 -0.168 0.000 2.493 75 C HA 0.809 5.456 4.460 0.311 0.000 0.326 75 C C -0.206 174.599 174.990 -0.307 0.000 1.200 75 C CA -0.614 58.431 59.018 0.045 0.000 1.739 75 C CB 0.546 28.498 27.740 0.353 0.000 2.300 75 C HN 0.527 nan 8.230 nan 0.000 0.500 76 W N 1.711 123.213 121.300 0.336 0.000 3.033 76 W HA 0.694 5.540 4.660 0.311 0.000 0.336 76 W C -0.890 175.852 176.519 0.371 0.000 1.173 76 W CA -0.674 56.838 57.345 0.278 0.000 1.185 76 W CB 1.136 30.710 29.460 0.190 0.000 1.425 76 W HN 0.394 nan 8.180 nan 0.000 0.536 77 L N 2.687 124.229 121.223 0.532 0.000 2.381 77 L HA 0.924 5.451 4.340 0.311 0.000 0.274 77 L C -0.757 176.352 176.870 0.399 0.000 0.988 77 L CA -0.672 54.434 54.840 0.444 0.000 0.824 77 L CB 1.317 43.559 42.059 0.304 0.000 1.263 77 L HN 0.514 nan 8.230 nan 0.000 0.410 78 A N 6.060 129.118 122.820 0.396 0.000 2.330 78 A HA 0.824 5.330 4.320 0.311 0.000 0.327 78 A C -1.320 176.370 177.584 0.177 0.000 1.155 78 A CA -0.537 51.697 52.037 0.329 0.000 0.803 78 A CB 0.840 20.110 19.000 0.451 0.000 1.208 78 A HN 0.719 nan 8.150 nan 0.000 0.477 79 L N 2.501 123.792 121.223 0.112 0.000 2.333 79 L HA 0.550 5.077 4.340 0.311 0.000 0.280 79 L C 0.620 177.399 176.870 -0.152 0.000 1.004 79 L CA -0.606 54.258 54.840 0.039 0.000 0.820 79 L CB 2.171 44.291 42.059 0.101 0.000 1.247 79 L HN 0.896 nan 8.230 nan 0.000 0.416 80 T N -2.360 111.972 114.554 -0.370 0.000 2.927 80 T HA 0.225 4.762 4.350 0.311 0.000 0.281 80 T C -0.095 174.395 174.700 -0.349 0.000 0.998 80 T CA -0.854 60.698 62.100 -0.913 0.000 1.019 80 T CB 1.726 69.719 68.868 -1.460 0.000 1.061 80 T HN 0.483 nan 8.240 nan 0.000 0.518 81 D N 2.367 122.603 120.400 -0.274 0.000 2.520 81 D HA 0.052 4.879 4.640 0.311 0.000 0.243 81 D C -1.020 175.265 176.300 -0.026 0.000 1.160 81 D CA -1.710 52.287 54.000 -0.005 0.000 0.877 81 D CB 1.210 42.129 40.800 0.198 0.000 1.150 81 D HN 0.323 nan 8.370 nan 0.000 0.494 82 P HA -0.109 nan 4.420 nan 0.000 0.228 82 P C 0.860 178.220 177.300 0.100 0.000 1.151 82 P CA 0.689 63.884 63.100 0.159 0.000 0.770 82 P CB 0.253 32.026 31.700 0.122 0.000 0.786 83 R N -0.370 120.169 120.500 0.065 0.000 2.276 83 R HA 0.001 4.528 4.340 0.311 0.000 0.203 83 R C 0.436 176.762 176.300 0.043 0.000 1.017 83 R CA 0.576 56.712 56.100 0.059 0.000 1.010 83 R CB -0.224 30.117 30.300 0.068 0.000 0.900 83 R HN 0.098 nan 8.270 nan 0.000 0.469 84 D N 0.206 120.621 120.400 0.026 0.000 2.456 84 D HA 0.071 4.898 4.640 0.311 0.000 0.287 84 D C 0.333 176.557 176.300 -0.127 0.000 1.186 84 D CA -0.288 53.737 54.000 0.042 0.000 0.916 84 D CB 1.138 42.093 40.800 0.260 0.000 1.029 84 D HN -0.035 nan 8.370 nan 0.000 0.498 85 V N -0.020 119.719 119.914 -0.291 0.000 3.398 85 V HA 0.850 5.156 4.120 0.311 0.000 0.298 85 V C 0.436 175.997 176.094 -0.889 0.000 1.496 85 V CA 0.279 62.233 62.300 -0.578 0.000 1.044 85 V CB -0.167 31.173 31.823 -0.805 0.000 0.880 85 V HN 0.393 nan 8.190 nan 0.000 0.443 86 A N -0.001 122.187 122.820 -1.053 0.000 2.586 86 A HA 0.692 5.199 4.320 0.311 0.000 0.291 86 A C -0.534 176.667 177.584 -0.638 0.000 1.062 86 A CA -1.032 50.354 52.037 -1.085 0.000 0.666 86 A CB 0.937 19.713 19.000 -0.374 0.000 1.281 86 A HN 0.234 nan 8.150 nan 0.000 0.421 87 R N 0.271 120.713 120.500 -0.097 0.000 2.583 87 R HA 0.199 4.726 4.340 0.311 0.000 0.274 87 R C -0.651 175.689 176.300 0.066 0.000 0.998 87 R CA 0.613 56.824 56.100 0.186 0.000 1.081 87 R CB 0.007 30.458 30.300 0.253 0.000 0.940 87 R HN 0.508 nan 8.270 nan 0.000 0.413 88 I N 2.898 123.528 120.570 0.100 0.000 2.371 88 I HA 0.043 4.399 4.170 0.311 0.000 0.282 88 I C 1.307 177.471 176.117 0.078 0.000 1.031 88 I CA -0.139 61.202 61.300 0.069 0.000 1.180 88 I CB 1.369 39.414 38.000 0.074 0.000 1.336 88 I HN 0.775 nan 8.210 nan 0.000 0.467 89 E N 3.459 123.685 120.200 0.043 0.000 2.085 89 E HA -0.212 4.325 4.350 0.311 0.000 0.194 89 E C 1.990 178.617 176.600 0.045 0.000 0.994 89 E CA 1.961 58.375 56.400 0.024 0.000 0.801 89 E CB 0.375 30.057 29.700 -0.029 0.000 0.743 89 E HN 0.778 nan 8.360 nan 0.000 0.453 90 S N 0.226 115.954 115.700 0.047 0.000 2.419 90 S HA -0.100 4.557 4.470 0.311 0.000 0.235 90 S C 1.551 176.199 174.600 0.079 0.000 1.019 90 S CA 0.821 59.055 58.200 0.057 0.000 0.982 90 S CB -0.054 63.175 63.200 0.049 0.000 0.789 90 S HN 0.108 nan 8.310 nan 0.000 0.490 91 K N 1.523 121.981 120.400 0.096 0.000 2.387 91 K HA 0.228 4.734 4.320 0.311 0.000 0.198 91 K C -0.290 176.403 176.600 0.155 0.000 1.022 91 K CA 0.160 56.522 56.287 0.124 0.000 1.128 91 K CB 0.354 32.932 32.500 0.130 0.000 0.853 91 K HN 0.332 nan 8.250 nan 0.000 0.523 92 T N 1.950 116.593 114.554 0.148 0.000 2.758 92 T HA 0.382 4.919 4.350 0.311 0.000 0.285 92 T C -0.092 174.716 174.700 0.180 0.000 0.981 92 T CA -0.638 61.580 62.100 0.197 0.000 0.965 92 T CB 1.424 70.406 68.868 0.190 0.000 0.927 92 T HN -0.003 nan 8.240 nan 0.000 0.448 93 V N 1.331 121.380 119.914 0.224 0.000 3.078 93 V HA 0.767 5.074 4.120 0.311 0.000 0.311 93 V C -0.996 175.221 176.094 0.204 0.000 1.138 93 V CA -1.247 61.148 62.300 0.157 0.000 1.007 93 V CB 1.979 33.852 31.823 0.083 0.000 1.045 93 V HN 0.807 nan 8.190 nan 0.000 0.432 94 I N 2.766 123.408 120.570 0.120 0.000 2.465 94 I HA 0.530 4.887 4.170 0.311 0.000 0.291 94 I C -1.263 174.860 176.117 0.010 0.000 1.014 94 I CA -0.623 60.742 61.300 0.108 0.000 1.093 94 I CB 2.122 40.203 38.000 0.135 0.000 1.267 94 I HN 0.489 nan 8.210 nan 0.000 0.431 95 I N 5.412 125.938 120.570 -0.074 0.000 2.339 95 I HA 0.416 4.772 4.170 0.311 0.000 0.290 95 I C 0.273 176.414 176.117 0.040 0.000 0.994 95 I CA 0.119 61.331 61.300 -0.148 0.000 1.191 95 I CB 1.662 39.490 38.000 -0.288 0.000 1.343 95 I HN 0.614 nan 8.210 nan 0.000 0.458 96 T N 1.228 115.925 114.554 0.239 0.000 2.864 96 T HA 0.330 4.867 4.350 0.311 0.000 0.299 96 T C 0.420 175.351 174.700 0.386 0.000 1.166 96 T CA -0.701 61.566 62.100 0.279 0.000 1.007 96 T CB 1.664 70.695 68.868 0.272 0.000 1.219 96 T HN 0.357 nan 8.240 nan 0.000 0.506 97 Q N 0.726 120.658 119.800 0.220 0.000 2.061 97 Q HA -0.065 4.461 4.340 0.311 0.000 0.204 97 Q C 0.221 176.367 176.000 0.244 0.000 0.984 97 Q CA 1.790 57.714 55.803 0.201 0.000 0.846 97 Q CB -0.070 28.727 28.738 0.098 0.000 0.902 97 Q HN 0.749 nan 8.270 nan 0.000 0.421 98 E N 0.387 120.660 120.200 0.121 0.000 2.158 98 E HA 0.044 4.580 4.350 0.311 0.000 0.271 98 E C -0.098 176.278 176.600 -0.374 0.000 0.911 98 E CA -0.295 56.053 56.400 -0.087 0.000 0.767 98 E CB 1.436 31.085 29.700 -0.084 0.000 1.120 98 E HN 0.424 nan 8.360 nan 0.000 0.405 99 Q N 3.579 122.773 119.800 -1.010 0.000 2.152 99 Q HA -0.224 4.303 4.340 0.311 0.000 0.206 99 Q C 1.873 177.477 176.000 -0.660 0.000 0.985 99 Q CA 1.588 56.410 55.803 -1.634 0.000 0.863 99 Q CB 0.122 27.800 28.738 -1.767 0.000 0.904 99 Q HN 0.403 nan 8.270 nan 0.000 0.422 100 R N -0.076 120.182 120.500 -0.403 0.000 2.152 100 R HA -0.135 4.392 4.340 0.311 0.000 0.232 100 R C 1.003 177.227 176.300 -0.127 0.000 1.117 100 R CA 1.527 57.497 56.100 -0.216 0.000 0.981 100 R CB 0.082 30.286 30.300 -0.160 0.000 0.870 100 R HN 0.380 nan 8.270 nan 0.000 0.451 101 D N -1.052 119.285 120.400 -0.104 0.000 2.312 101 D HA -0.062 4.765 4.640 0.311 0.000 0.211 101 D C 1.167 177.498 176.300 0.052 0.000 0.964 101 D CA 1.072 55.069 54.000 -0.006 0.000 0.877 101 D CB 0.296 41.105 40.800 0.014 0.000 0.924 101 D HN 0.220 nan 8.370 nan 0.000 0.515 102 T N -0.429 114.132 114.554 0.011 0.000 3.004 102 T HA 0.110 4.646 4.350 0.311 0.000 0.243 102 T C 0.865 175.587 174.700 0.037 0.000 1.020 102 T CA 0.295 62.451 62.100 0.094 0.000 1.145 102 T CB 0.754 69.764 68.868 0.238 0.000 0.876 102 T HN 0.009 nan 8.240 nan 0.000 0.449 103 V N -0.841 119.053 119.914 -0.033 0.000 3.049 103 V HA 0.651 4.958 4.120 0.311 0.000 0.309 103 V C -3.315 172.723 176.094 -0.093 0.000 1.148 103 V CA -3.299 58.969 62.300 -0.053 0.000 0.990 103 V CB 1.873 33.683 31.823 -0.022 0.000 1.039 103 V HN -0.141 nan 8.190 nan 0.000 0.430 104 P HA 0.300 nan 4.420 nan 0.000 0.271 104 P C -0.555 176.685 177.300 -0.101 0.000 1.218 104 P CA -0.139 62.902 63.100 -0.098 0.000 0.780 104 P CB 0.286 31.928 31.700 -0.096 0.000 0.901 105 I N 4.257 124.764 120.570 -0.104 0.000 2.421 105 I HA 0.179 4.536 4.170 0.311 0.000 0.291 105 I C -1.982 174.086 176.117 -0.082 0.000 1.089 105 I CA -2.906 58.335 61.300 -0.098 0.000 1.354 105 I CB -0.429 37.510 38.000 -0.101 0.000 1.413 105 I HN 0.172 nan 8.210 nan 0.000 0.513 106 P HA 0.196 nan 4.420 nan 0.000 0.274 106 P C 0.737 177.999 177.300 -0.063 0.000 1.237 106 P CA -0.527 62.526 63.100 -0.078 0.000 0.793 106 P CB 1.319 32.976 31.700 -0.071 0.000 0.977 107 K N 0.752 121.113 120.400 -0.064 0.000 2.062 107 K HA -0.081 4.426 4.320 0.311 0.000 0.205 107 K C 1.307 177.885 176.600 -0.037 0.000 1.051 107 K CA 2.033 58.290 56.287 -0.049 0.000 0.941 107 K CB -0.012 32.459 32.500 -0.048 0.000 0.719 107 K HN 0.569 nan 8.250 nan 0.000 0.440 108 S N -1.951 113.727 115.700 -0.037 0.000 2.769 108 S HA 0.256 4.913 4.470 0.311 0.000 0.258 108 S C 0.764 175.352 174.600 -0.019 0.000 1.080 108 S CA -0.186 57.999 58.200 -0.024 0.000 0.943 108 S CB 0.798 63.985 63.200 -0.020 0.000 0.893 108 S HN 0.263 nan 8.310 nan 0.000 0.490 109 G N 0.934 109.718 108.800 -0.025 0.000 2.753 109 G HA2 0.575 4.721 3.960 0.311 0.000 0.285 109 G HA3 0.575 4.721 3.960 0.311 0.000 0.285 109 G C -1.221 173.671 174.900 -0.014 0.000 1.344 109 G CA -0.789 44.301 45.100 -0.016 0.000 1.050 109 G HN 0.397 nan 8.290 nan 0.000 0.532 110 Q N -0.257 119.542 119.800 -0.002 0.000 2.299 110 Q HA 0.412 4.938 4.340 0.311 0.000 0.246 110 Q C 0.211 176.209 176.000 -0.004 0.000 0.935 110 Q CA -0.380 55.427 55.803 0.007 0.000 0.887 110 Q CB 0.903 29.653 28.738 0.020 0.000 1.223 110 Q HN 0.440 nan 8.270 nan 0.000 0.439 111 S N 1.596 117.295 115.700 -0.001 0.000 2.549 111 S HA 0.009 4.666 4.470 0.311 0.000 0.279 111 S C 0.103 174.707 174.600 0.006 0.000 1.321 111 S CA -0.187 58.005 58.200 -0.014 0.000 1.054 111 S CB 0.405 63.599 63.200 -0.009 0.000 0.899 111 S HN 0.684 nan 8.310 nan 0.000 0.497 112 Q N 4.044 123.844 119.800 0.000 0.000 2.175 112 Q HA 0.355 4.881 4.340 0.311 0.000 0.225 112 Q C 0.304 176.316 176.000 0.020 0.000 0.837 112 Q CA -0.086 55.732 55.803 0.025 0.000 1.032 112 Q CB -0.008 28.767 28.738 0.061 0.000 1.137 112 Q HN 0.650 nan 8.270 nan 0.000 0.483 113 L N 0.229 121.452 121.223 -0.000 0.000 2.728 113 L HA 0.521 5.048 4.340 0.311 0.000 0.238 113 L C 0.545 177.452 176.870 0.062 0.000 1.143 113 L CA -0.023 54.822 54.840 0.008 0.000 0.937 113 L CB 0.841 42.839 42.059 -0.102 0.000 1.225 113 L HN 0.412 nan 8.230 nan 0.000 0.507 114 G N 0.035 108.863 108.800 0.047 0.000 2.320 114 G HA2 0.231 4.377 3.960 0.311 0.000 0.297 114 G HA3 0.231 4.377 3.960 0.311 0.000 0.297 114 G C -1.522 173.429 174.900 0.085 0.000 1.344 114 G CA -0.912 44.228 45.100 0.066 0.000 0.851 114 G HN -0.074 nan 8.290 nan 0.000 0.567 115 R N -0.174 120.393 120.500 0.113 0.000 2.472 115 R HA 0.236 4.763 4.340 0.311 0.000 0.294 115 R C -1.282 175.134 176.300 0.194 0.000 1.243 115 R CA -0.586 55.597 56.100 0.138 0.000 1.023 115 R CB 1.869 32.228 30.300 0.099 0.000 1.157 115 R HN 0.573 nan 8.270 nan 0.000 0.530 116 W N 5.334 126.657 121.300 0.038 0.000 2.261 116 W HA 0.348 5.191 4.660 0.305 0.000 0.323 116 W C -0.547 176.004 176.519 0.053 0.000 1.243 116 W CA -0.277 57.092 57.345 0.040 0.000 1.210 116 W CB 0.816 30.293 29.460 0.028 0.000 1.149 116 W HN 0.356 nan 8.180 nan 0.000 0.562 117 M N 6.145 125.305 119.600 -0.733 0.000 2.393 117 M HA 0.284 4.951 4.480 0.311 0.000 0.299 117 M C -0.073 175.475 176.300 -1.253 0.000 1.103 117 M CA -0.586 54.247 55.300 -0.778 0.000 0.910 117 M CB 1.647 34.086 32.600 -0.269 0.000 1.659 117 M HN 0.565 nan 8.290 nan 0.000 0.445 118 S N 2.770 117.768 115.700 -1.171 0.000 2.584 118 S HA 0.172 4.828 4.470 0.311 0.000 0.270 118 S C 0.623 175.053 174.600 -0.284 0.000 1.346 118 S CA -0.305 57.420 58.200 -0.792 0.000 1.018 118 S CB 0.809 63.773 63.200 -0.393 0.000 0.899 118 S HN 0.845 nan 8.310 nan 0.000 0.542 119 E N 1.223 121.360 120.200 -0.104 0.000 2.085 119 E HA -0.231 4.306 4.350 0.311 0.000 0.194 119 E C 2.132 178.753 176.600 0.036 0.000 0.994 119 E CA 1.588 57.992 56.400 0.006 0.000 0.801 119 E CB -0.207 29.512 29.700 0.030 0.000 0.743 119 E HN 0.964 nan 8.360 nan 0.000 0.453 120 E N 1.395 121.600 120.200 0.007 0.000 2.072 120 E HA -0.228 4.309 4.350 0.311 0.000 0.191 120 E C 1.312 177.911 176.600 -0.002 0.000 0.985 120 E CA 1.315 57.720 56.400 0.008 0.000 0.801 120 E CB -0.136 29.571 29.700 0.012 0.000 0.750 120 E HN 0.104 nan 8.360 nan 0.000 0.452 121 D N 0.294 120.682 120.400 -0.020 0.000 2.117 121 D HA -0.113 4.714 4.640 0.311 0.000 0.198 121 D C 1.700 178.013 176.300 0.021 0.000 0.982 121 D CA 0.821 54.810 54.000 -0.017 0.000 0.828 121 D CB -0.466 40.302 40.800 -0.054 0.000 0.967 121 D HN 0.202 nan 8.370 nan 0.000 0.464 122 F N 1.886 121.787 119.950 -0.082 0.000 2.134 122 F HA -0.124 4.596 4.527 0.322 0.000 0.299 122 F C 2.297 178.112 175.800 0.025 0.000 1.097 122 F CA 1.429 59.410 58.000 -0.032 0.000 1.264 122 F CB -0.145 38.816 39.000 -0.064 0.000 1.001 122 F HN -0.105 nan 8.300 nan 0.000 0.479 123 E N 0.352 120.502 120.200 -0.083 0.000 2.065 123 E HA -0.301 4.236 4.350 0.311 0.000 0.201 123 E C 2.239 178.775 176.600 -0.107 0.000 1.016 123 E CA 1.962 58.291 56.400 -0.119 0.000 0.818 123 E CB -0.124 29.556 29.700 -0.034 0.000 0.749 123 E HN 0.421 nan 8.360 nan 0.000 0.453 124 K N -0.263 120.088 120.400 -0.081 0.000 2.063 124 K HA -0.165 4.342 4.320 0.311 0.000 0.208 124 K C 2.152 178.685 176.600 -0.112 0.000 1.048 124 K CA 1.149 57.394 56.287 -0.070 0.000 0.928 124 K CB -0.170 32.302 32.500 -0.046 0.000 0.713 124 K HN 0.148 nan 8.250 nan 0.000 0.442 125 A N 0.959 123.682 122.820 -0.163 0.000 1.898 125 A HA -0.156 4.350 4.320 0.311 0.000 0.216 125 A C 1.986 179.412 177.584 -0.264 0.000 1.181 125 A CA 1.027 52.953 52.037 -0.186 0.000 0.620 125 A CB -0.648 18.280 19.000 -0.121 0.000 0.819 125 A HN 0.341 nan 8.150 nan 0.000 0.442 126 F N 1.600 121.202 119.950 -0.580 0.000 2.069 126 F HA -0.222 4.488 4.527 0.306 0.000 0.298 126 F C 1.975 177.652 175.800 -0.205 0.000 1.113 126 F CA 2.183 59.912 58.000 -0.452 0.000 1.214 126 F CB -0.223 38.362 39.000 -0.692 0.000 0.978 126 F HN 0.208 nan 8.300 nan 0.000 0.474 127 N N 0.662 119.335 118.700 -0.045 0.000 2.289 127 N HA -0.097 4.830 4.740 0.311 0.000 0.184 127 N C 1.711 177.119 175.510 -0.171 0.000 1.016 127 N CA 1.182 54.187 53.050 -0.075 0.000 0.872 127 N CB -0.681 37.810 38.487 0.006 0.000 0.973 127 N HN 0.409 nan 8.380 nan 0.000 0.433 128 A N 0.101 122.801 122.820 -0.200 0.000 2.235 128 A HA 0.075 4.581 4.320 0.311 0.000 0.208 128 A C 1.971 179.345 177.584 -0.350 0.000 1.172 128 A CA 0.667 52.575 52.037 -0.216 0.000 0.786 128 A CB 0.045 18.944 19.000 -0.168 0.000 0.804 128 A HN 0.201 nan 8.150 nan 0.000 0.479 129 R N -3.171 116.998 120.500 -0.551 0.000 2.756 129 R HA 0.297 4.823 4.340 0.311 0.000 0.170 129 R C 1.285 177.010 176.300 -0.958 0.000 0.800 129 R CA 0.369 55.832 56.100 -1.061 0.000 1.052 129 R CB -0.169 29.019 30.300 -1.855 0.000 1.437 129 R HN 0.378 nan 8.270 nan 0.000 0.607 130 F N 1.983 121.462 119.950 -0.786 0.000 2.293 130 F HA 0.102 4.813 4.527 0.306 0.000 0.297 130 F C -1.357 174.265 175.800 -0.296 0.000 1.089 130 F CA -0.155 57.530 58.000 -0.526 0.000 1.377 130 F CB -0.731 37.762 39.000 -0.846 0.000 1.051 130 F HN -0.180 nan 8.300 nan 0.000 0.511 131 P HA 0.118 nan 4.420 nan 0.000 0.261 131 P C 0.639 177.917 177.300 -0.038 0.000 1.203 131 P CA 1.290 64.355 63.100 -0.058 0.000 0.767 131 P CB 0.247 31.910 31.700 -0.063 0.000 0.785 132 G N 3.106 111.904 108.800 -0.003 0.000 2.168 132 G HA2 -0.387 3.760 3.960 0.311 0.000 0.263 132 G HA3 -0.387 3.760 3.960 0.311 0.000 0.263 132 G C 1.127 176.026 174.900 -0.002 0.000 0.977 132 G CA 0.283 45.383 45.100 0.000 0.000 0.659 132 G HN 0.675 nan 8.290 nan 0.000 0.533 133 C N -1.306 117.999 119.300 0.008 0.000 2.437 133 C HA 0.437 5.084 4.460 0.311 0.000 0.283 133 C C 2.289 177.266 174.990 -0.021 0.000 1.424 133 C CA 1.384 60.409 59.018 0.010 0.000 1.782 133 C CB -0.669 27.114 27.740 0.072 0.000 1.833 133 C HN 0.490 nan 8.230 nan 0.000 0.532 134 M N 0.343 119.940 119.600 -0.006 0.000 2.475 134 M HA 0.196 4.863 4.480 0.311 0.000 0.283 134 M C 0.544 176.829 176.300 -0.024 0.000 1.165 134 M CA -0.032 55.256 55.300 -0.021 0.000 0.976 134 M CB -0.110 32.486 32.600 -0.006 0.000 1.428 134 M HN 0.236 nan 8.290 nan 0.000 0.495 135 K N 1.144 121.530 120.400 -0.022 0.000 2.472 135 K HA 0.091 4.597 4.320 0.311 0.000 0.280 135 K C 1.113 177.686 176.600 -0.046 0.000 1.028 135 K CA 1.191 57.460 56.287 -0.029 0.000 1.045 135 K CB 0.241 32.726 32.500 -0.024 0.000 0.902 135 K HN 0.514 nan 8.250 nan 0.000 0.478 136 G N 3.373 112.132 108.800 -0.069 0.000 2.179 136 G HA2 -0.284 3.863 3.960 0.311 0.000 0.260 136 G HA3 -0.284 3.863 3.960 0.311 0.000 0.260 136 G C -0.045 174.817 174.900 -0.063 0.000 0.977 136 G CA 0.237 45.291 45.100 -0.077 0.000 0.641 136 G HN 0.626 nan 8.290 nan 0.000 0.533 137 R N -0.281 120.187 120.500 -0.053 0.000 2.873 137 R HA 0.632 5.159 4.340 0.311 0.000 0.264 137 R C -0.543 175.740 176.300 -0.027 0.000 1.026 137 R CA -0.516 55.575 56.100 -0.015 0.000 1.002 137 R CB 0.994 31.290 30.300 -0.005 0.000 1.174 137 R HN 0.105 nan 8.270 nan 0.000 0.488 138 T N 2.186 116.728 114.554 -0.020 0.000 2.817 138 T HA 0.181 4.718 4.350 0.311 0.000 0.293 138 T C 0.131 174.684 174.700 -0.244 0.000 0.964 138 T CA -0.240 61.763 62.100 -0.161 0.000 1.085 138 T CB 0.609 69.225 68.868 -0.421 0.000 0.921 138 T HN 0.338 nan 8.240 nan 0.000 0.502 139 M N 4.971 124.464 119.600 -0.179 0.000 2.108 139 M HA 0.323 4.989 4.480 0.311 0.000 0.347 139 M C -1.442 174.747 176.300 -0.185 0.000 1.326 139 M CA -0.545 54.690 55.300 -0.109 0.000 1.126 139 M CB 0.044 32.603 32.600 -0.069 0.000 1.606 139 M HN 0.566 nan 8.290 nan 0.000 0.462 140 Y N 3.752 124.097 120.300 0.075 0.000 2.304 140 Y HA 0.386 5.123 4.550 0.310 0.000 0.328 140 Y C 0.003 175.963 175.900 0.100 0.000 1.123 140 Y CA -0.583 57.571 58.100 0.090 0.000 1.218 140 Y CB 0.997 39.474 38.460 0.027 0.000 1.207 140 Y HN 0.357 nan 8.280 nan 0.000 0.495 141 V N 5.836 125.908 119.914 0.263 0.000 2.311 141 V HA 0.301 4.607 4.120 0.311 0.000 0.275 141 V C -0.174 176.054 176.094 0.223 0.000 1.022 141 V CA -0.716 61.702 62.300 0.196 0.000 0.830 141 V CB 0.491 32.385 31.823 0.119 0.000 1.012 141 V HN 0.580 nan 8.190 nan 0.000 0.452 142 I N 7.732 128.448 120.570 0.243 0.000 2.337 142 I HA 0.360 4.716 4.170 0.311 0.000 0.285 142 I C -2.549 173.771 176.117 0.338 0.000 1.041 142 I CA -1.904 59.544 61.300 0.247 0.000 1.199 142 I CB 1.949 40.064 38.000 0.192 0.000 1.370 142 I HN 0.412 nan 8.210 nan 0.000 0.470 143 P HA 0.315 nan 4.420 nan 0.000 0.293 143 P C -1.052 176.390 177.300 0.236 0.000 1.313 143 P CA -0.228 62.968 63.100 0.161 0.000 0.787 143 P CB 0.385 32.115 31.700 0.051 0.000 0.910 144 F N -0.063 119.922 119.950 0.058 0.000 2.599 144 F HA 0.789 5.484 4.527 0.279 0.000 0.311 144 F C -0.652 175.178 175.800 0.049 0.000 1.076 144 F CA -1.406 56.616 58.000 0.036 0.000 0.937 144 F CB 1.377 40.393 39.000 0.027 0.000 1.282 144 F HN 0.131 nan 8.300 nan 0.000 0.460 145 S N 3.189 118.940 115.700 0.085 0.000 2.451 145 S HA 0.659 5.316 4.470 0.311 0.000 0.301 145 S C -0.658 173.942 174.600 -0.001 0.000 1.116 145 S CA -0.797 57.395 58.200 -0.013 0.000 1.093 145 S CB 0.622 63.803 63.200 -0.032 0.000 1.017 145 S HN 0.607 nan 8.310 nan 0.000 0.482 146 M N 4.322 123.860 119.600 -0.104 0.000 2.069 146 M HA 0.481 5.147 4.480 0.311 0.000 0.349 146 M C 0.646 176.740 176.300 -0.344 0.000 1.194 146 M CA 0.037 55.154 55.300 -0.304 0.000 1.081 146 M CB -0.353 31.906 32.600 -0.568 0.000 1.500 146 M HN 1.011 nan 8.290 nan 0.000 0.438 147 G N 5.460 114.061 108.800 -0.332 0.000 2.570 147 G HA2 -0.015 4.131 3.960 0.311 0.000 0.686 147 G HA3 -0.015 4.131 3.960 0.311 0.000 0.686 147 G C -3.364 171.407 174.900 -0.215 0.000 1.257 147 G CA -1.424 43.505 45.100 -0.286 0.000 0.846 147 G HN 0.372 nan 8.290 nan 0.000 0.627 148 P HA 0.259 nan 4.420 nan 0.000 0.262 148 P C 0.572 177.777 177.300 -0.158 0.000 1.182 148 P CA -0.305 62.652 63.100 -0.238 0.000 0.761 148 P CB 0.511 32.051 31.700 -0.266 0.000 0.795 149 L N 4.043 125.186 121.223 -0.134 0.000 2.628 149 L HA 0.148 4.674 4.340 0.311 0.000 0.274 149 L C 1.422 178.243 176.870 -0.082 0.000 1.209 149 L CA 1.744 56.529 54.840 -0.090 0.000 0.930 149 L CB -1.210 40.804 42.059 -0.076 0.000 1.183 149 L HN 0.786 nan 8.230 nan 0.000 0.492 150 G N 2.630 111.392 108.800 -0.063 0.000 2.168 150 G HA2 -0.317 3.829 3.960 0.311 0.000 0.257 150 G HA3 -0.317 3.829 3.960 0.311 0.000 0.257 150 G C 0.508 175.368 174.900 -0.067 0.000 0.997 150 G CA 0.498 45.565 45.100 -0.056 0.000 0.708 150 G HN 1.072 nan 8.290 nan 0.000 0.520 151 S N 0.460 116.110 115.700 -0.084 0.000 2.549 151 S HA 0.418 5.074 4.470 0.311 0.000 0.286 151 S C 0.136 174.688 174.600 -0.080 0.000 1.314 151 S CA -0.205 57.939 58.200 -0.093 0.000 1.062 151 S CB 1.034 64.166 63.200 -0.114 0.000 0.865 151 S HN 0.072 nan 8.310 nan 0.000 0.498 152 P HA -0.074 nan 4.420 nan 0.000 0.218 152 P C 0.974 178.198 177.300 -0.126 0.000 1.146 152 P CA 0.772 63.818 63.100 -0.089 0.000 0.813 152 P CB 0.061 31.709 31.700 -0.086 0.000 0.778 153 L N -2.054 119.090 121.223 -0.132 0.000 2.558 153 L HA 0.203 4.730 4.340 0.311 0.000 0.225 153 L C 1.259 178.106 176.870 -0.038 0.000 1.128 153 L CA -0.273 54.457 54.840 -0.183 0.000 0.868 153 L CB -1.793 40.179 42.059 -0.144 0.000 1.006 153 L HN -0.162 nan 8.230 nan 0.000 0.454 154 A N 0.557 123.374 122.820 -0.004 0.000 2.386 154 A HA 0.446 4.952 4.320 0.311 0.000 0.248 154 A C 0.399 178.078 177.584 0.158 0.000 1.082 154 A CA -0.059 52.025 52.037 0.079 0.000 0.789 154 A CB 0.525 19.511 19.000 -0.022 0.000 1.025 154 A HN 0.092 nan 8.150 nan 0.000 0.490 155 K N 0.990 121.559 120.400 0.283 0.000 2.469 155 K HA 0.528 5.035 4.320 0.311 0.000 0.254 155 K C -1.407 175.359 176.600 0.278 0.000 0.939 155 K CA -0.308 56.179 56.287 0.333 0.000 0.812 155 K CB 2.188 35.053 32.500 0.609 0.000 1.301 155 K HN 0.631 nan 8.250 nan 0.000 0.433 156 I N 1.102 121.791 120.570 0.198 0.000 2.359 156 I HA 0.370 4.726 4.170 0.311 0.000 0.294 156 I C 0.664 176.792 176.117 0.019 0.000 0.987 156 I CA -0.393 60.927 61.300 0.032 0.000 1.225 156 I CB 1.881 39.877 38.000 -0.008 0.000 1.366 156 I HN 0.624 nan 8.210 nan 0.000 0.466 157 G N 6.422 114.963 108.800 -0.432 0.000 2.511 157 G HA2 0.719 4.866 3.960 0.311 0.000 0.318 157 G HA3 0.719 4.866 3.960 0.311 0.000 0.318 157 G C -0.993 173.619 174.900 -0.481 0.000 1.210 157 G CA -0.417 44.373 45.100 -0.516 0.000 0.969 157 G HN 0.316 nan 8.290 nan 0.000 0.484 158 I N 0.891 121.501 120.570 0.068 0.000 2.410 158 I HA 0.326 4.682 4.170 0.311 0.000 0.286 158 I C -0.307 176.164 176.117 0.589 0.000 1.009 158 I CA -0.745 60.723 61.300 0.280 0.000 1.111 158 I CB 1.458 39.575 38.000 0.195 0.000 1.262 158 I HN 0.631 nan 8.210 nan 0.000 0.443 159 E N 7.224 127.816 120.200 0.653 0.000 2.156 159 E HA 0.532 5.069 4.350 0.311 0.000 0.279 159 E C -1.350 175.467 176.600 0.361 0.000 0.965 159 E CA -0.603 56.103 56.400 0.509 0.000 0.789 159 E CB 1.359 31.265 29.700 0.342 0.000 1.098 159 E HN 0.491 nan 8.360 nan 0.000 0.397 160 L N 3.897 125.314 121.223 0.324 0.000 2.275 160 L HA 0.468 4.995 4.340 0.311 0.000 0.288 160 L C 0.210 177.226 176.870 0.244 0.000 1.046 160 L CA -0.460 54.493 54.840 0.189 0.000 0.805 160 L CB 1.630 43.693 42.059 0.007 0.000 1.193 160 L HN 0.539 nan 8.230 nan 0.000 0.426 161 T N -0.367 114.336 114.554 0.249 0.000 2.894 161 T HA 0.273 4.810 4.350 0.311 0.000 0.309 161 T C -0.505 174.362 174.700 0.278 0.000 1.208 161 T CA -0.631 61.653 62.100 0.306 0.000 1.016 161 T CB 1.556 70.640 68.868 0.360 0.000 1.192 161 T HN 0.722 nan 8.240 nan 0.000 0.491 162 D N 1.207 121.721 120.400 0.190 0.000 2.368 162 D HA 0.225 5.052 4.640 0.311 0.000 0.218 162 D C 0.338 176.762 176.300 0.207 0.000 1.112 162 D CA -0.204 53.900 54.000 0.173 0.000 0.834 162 D CB 0.256 41.074 40.800 0.029 0.000 0.953 162 D HN 0.251 nan 8.370 nan 0.000 0.505 163 S N 0.935 116.760 115.700 0.207 0.000 2.474 163 S HA 0.393 5.050 4.470 0.311 0.000 0.321 163 S C -1.852 172.719 174.600 -0.048 0.000 1.080 163 S CA -1.517 56.733 58.200 0.084 0.000 1.106 163 S CB 1.657 64.917 63.200 0.099 0.000 0.984 163 S HN -0.238 nan 8.310 nan 0.000 0.464 164 P HA -0.100 nan 4.420 nan 0.000 0.218 164 P C 1.090 178.277 177.300 -0.187 0.000 1.149 164 P CA 0.876 63.756 63.100 -0.367 0.000 0.817 164 P CB -0.150 31.427 31.700 -0.205 0.000 0.785 165 Y N 0.942 121.138 120.300 -0.172 0.000 2.165 165 Y HA -0.224 4.510 4.550 0.307 0.000 0.286 165 Y C 2.107 177.954 175.900 -0.089 0.000 1.155 165 Y CA 1.436 59.485 58.100 -0.084 0.000 1.164 165 Y CB -1.008 37.440 38.460 -0.020 0.000 0.978 165 Y HN -0.293 nan 8.280 nan 0.000 0.513 166 V N -0.780 119.132 119.914 -0.003 0.000 2.343 166 V HA -0.321 3.986 4.120 0.311 0.000 0.247 166 V C 2.360 178.322 176.094 -0.221 0.000 1.051 166 V CA 1.727 63.947 62.300 -0.133 0.000 1.036 166 V CB -0.832 30.945 31.823 -0.076 0.000 0.654 166 V HN 0.382 nan 8.190 nan 0.000 0.451 167 V N 0.349 120.125 119.914 -0.230 0.000 2.255 167 V HA -0.294 4.013 4.120 0.311 0.000 0.247 167 V C 2.717 178.695 176.094 -0.193 0.000 1.051 167 V CA 2.229 64.381 62.300 -0.246 0.000 1.018 167 V CB -1.210 30.352 31.823 -0.435 0.000 0.641 167 V HN 0.569 nan 8.190 nan 0.000 0.445 168 A N -0.498 122.215 122.820 -0.179 0.000 1.902 168 A HA -0.202 4.304 4.320 0.311 0.000 0.217 168 A C 2.456 179.967 177.584 -0.122 0.000 1.181 168 A CA 2.284 54.307 52.037 -0.024 0.000 0.623 168 A CB -0.668 18.307 19.000 -0.042 0.000 0.818 168 A HN 0.519 nan 8.150 nan 0.000 0.443 169 S N -0.666 114.857 115.700 -0.295 0.000 2.406 169 S HA -0.046 4.610 4.470 0.311 0.000 0.228 169 S C 1.905 176.336 174.600 -0.283 0.000 1.020 169 S CA 1.279 59.285 58.200 -0.324 0.000 0.965 169 S CB -0.212 62.680 63.200 -0.514 0.000 0.798 169 S HN 0.454 nan 8.310 nan 0.000 0.488 170 M N 0.891 120.320 119.600 -0.286 0.000 2.349 170 M HA 0.103 4.770 4.480 0.311 0.000 0.266 170 M C 2.122 178.281 176.300 -0.235 0.000 1.076 170 M CA 0.848 55.969 55.300 -0.299 0.000 1.126 170 M CB -0.892 31.514 32.600 -0.323 0.000 1.392 170 M HN 0.255 nan 8.290 nan 0.000 0.440 171 R N 0.522 120.893 120.500 -0.214 0.000 2.096 171 R HA -0.101 4.426 4.340 0.311 0.000 0.235 171 R C 1.927 178.082 176.300 -0.242 0.000 1.127 171 R CA 1.273 57.234 56.100 -0.231 0.000 0.968 171 R CB -0.096 29.995 30.300 -0.347 0.000 0.861 171 R HN 0.311 nan 8.270 nan 0.000 0.440 172 I N -0.110 120.318 120.570 -0.235 0.000 2.333 172 I HA -0.195 4.162 4.170 0.311 0.000 0.246 172 I C 1.930 177.950 176.117 -0.162 0.000 1.106 172 I CA 0.736 61.924 61.300 -0.186 0.000 1.411 172 I CB -0.038 37.884 38.000 -0.130 0.000 1.082 172 I HN 0.164 nan 8.210 nan 0.000 0.420 173 M N 0.254 119.744 119.600 -0.182 0.000 2.541 173 M HA 0.092 4.759 4.480 0.311 0.000 0.252 173 M C 0.922 177.116 176.300 -0.177 0.000 1.125 173 M CA 0.661 55.850 55.300 -0.186 0.000 1.091 173 M CB -0.960 31.497 32.600 -0.238 0.000 1.420 173 M HN 0.338 nan 8.290 nan 0.000 0.486 174 T N -1.695 112.764 114.554 -0.158 0.000 2.804 174 T HA 0.661 5.198 4.350 0.311 0.000 0.290 174 T C -0.519 174.152 174.700 -0.050 0.000 1.099 174 T CA -0.987 61.058 62.100 -0.090 0.000 1.011 174 T CB 2.131 70.968 68.868 -0.052 0.000 1.291 174 T HN 0.022 nan 8.240 nan 0.000 0.523 175 R N 0.860 121.358 120.500 -0.002 0.000 2.221 175 R HA 0.626 5.153 4.340 0.311 0.000 0.327 175 R C -0.299 176.031 176.300 0.051 0.000 1.033 175 R CA -0.457 55.640 56.100 -0.006 0.000 0.887 175 R CB 0.946 31.227 30.300 -0.031 0.000 1.057 175 R HN 0.570 nan 8.270 nan 0.000 0.455 176 M N 2.280 121.895 119.600 0.025 0.000 2.393 176 M HA 0.623 5.289 4.480 0.311 0.000 0.299 176 M C -0.293 176.030 176.300 0.039 0.000 1.103 176 M CA -0.061 55.276 55.300 0.061 0.000 0.910 176 M CB 1.922 34.530 32.600 0.013 0.000 1.659 176 M HN 0.743 nan 8.290 nan 0.000 0.445 177 G N 2.426 111.263 108.800 0.061 0.000 2.270 177 G HA2 -0.114 4.033 3.960 0.311 0.000 0.268 177 G HA3 -0.114 4.033 3.960 0.311 0.000 0.268 177 G C 0.017 174.938 174.900 0.034 0.000 1.312 177 G CA -0.009 45.120 45.100 0.049 0.000 1.050 177 G HN 0.547 nan 8.290 nan 0.000 0.474 178 T N 1.179 115.748 114.554 0.024 0.000 2.746 178 T HA -0.101 4.436 4.350 0.311 0.000 0.267 178 T C 2.898 177.599 174.700 0.002 0.000 1.039 178 T CA 3.197 65.304 62.100 0.012 0.000 1.142 178 T CB -0.659 68.215 68.868 0.010 0.000 0.866 178 T HN 1.497 nan 8.240 nan 0.000 0.444 179 S N 1.387 117.087 115.700 0.000 0.000 2.402 179 S HA -0.129 4.528 4.470 0.311 0.000 0.233 179 S C 2.100 176.692 174.600 -0.013 0.000 1.030 179 S CA 1.204 59.399 58.200 -0.008 0.000 1.003 179 S CB -0.969 62.223 63.200 -0.012 0.000 0.813 179 S HN 0.341 nan 8.310 nan 0.000 0.477 180 V N 1.846 121.755 119.914 -0.008 0.000 2.407 180 V HA -0.005 4.301 4.120 0.311 0.000 0.245 180 V C 2.518 178.593 176.094 -0.031 0.000 1.041 180 V CA 1.410 63.701 62.300 -0.016 0.000 1.040 180 V CB -0.826 30.997 31.823 -0.001 0.000 0.671 180 V HN 0.439 nan 8.190 nan 0.000 0.455 181 L N -0.118 121.088 121.223 -0.029 0.000 2.083 181 L HA -0.209 4.317 4.340 0.311 0.000 0.209 181 L C 2.578 179.428 176.870 -0.033 0.000 1.083 181 L CA 1.742 56.555 54.840 -0.045 0.000 0.752 181 L CB -0.577 41.461 42.059 -0.035 0.000 0.899 181 L HN 0.407 nan 8.230 nan 0.000 0.433 182 E N 0.013 120.200 120.200 -0.022 0.000 2.106 182 E HA -0.174 4.363 4.350 0.311 0.000 0.192 182 E C 2.320 178.909 176.600 -0.018 0.000 0.984 182 E CA 1.024 57.414 56.400 -0.017 0.000 0.806 182 E CB -0.178 29.515 29.700 -0.013 0.000 0.750 182 E HN 0.493 nan 8.360 nan 0.000 0.458 183 A N 1.234 124.042 122.820 -0.020 0.000 1.933 183 A HA -0.153 4.354 4.320 0.311 0.000 0.218 183 A C 2.168 179.743 177.584 -0.016 0.000 1.175 183 A CA 0.950 52.975 52.037 -0.020 0.000 0.628 183 A CB -0.438 18.547 19.000 -0.024 0.000 0.814 183 A HN 0.226 nan 8.150 nan 0.000 0.444 184 L N -0.863 120.347 121.223 -0.022 0.000 2.056 184 L HA 0.190 4.717 4.340 0.311 0.000 0.207 184 L C 1.753 178.624 176.870 0.001 0.000 1.078 184 L CA 1.864 56.695 54.840 -0.015 0.000 0.749 184 L CB -1.006 41.021 42.059 -0.053 0.000 0.901 184 L HN 0.685 nan 8.230 nan 0.000 0.433 185 G N 0.025 108.821 108.800 -0.007 0.000 2.634 185 G HA2 -0.484 3.663 3.960 0.311 0.000 0.309 185 G HA3 -0.484 3.663 3.960 0.311 0.000 0.309 185 G C 0.380 175.293 174.900 0.022 0.000 1.265 185 G CA 0.650 45.752 45.100 0.004 0.000 0.998 185 G HN 0.666 nan 8.290 nan 0.000 0.551 186 D N 1.714 122.134 120.400 0.033 0.000 2.325 186 D HA 0.409 5.236 4.640 0.311 0.000 0.234 186 D C 1.209 177.551 176.300 0.070 0.000 1.122 186 D CA 0.907 54.939 54.000 0.052 0.000 0.850 186 D CB -0.666 40.155 40.800 0.036 0.000 0.921 186 D HN 0.811 nan 8.370 nan 0.000 0.513 187 G N -0.099 108.746 108.800 0.075 0.000 2.634 187 G HA2 0.185 4.332 3.960 0.311 0.000 0.255 187 G HA3 0.185 4.332 3.960 0.311 0.000 0.255 187 G C -0.336 174.649 174.900 0.141 0.000 1.205 187 G CA -0.674 44.474 45.100 0.081 0.000 0.884 187 G HN 0.245 nan 8.290 nan 0.000 0.549 188 E N -0.913 119.329 120.200 0.070 0.000 2.398 188 E HA 0.428 4.965 4.350 0.311 0.000 0.263 188 E C -0.592 176.069 176.600 0.102 0.000 1.046 188 E CA -0.228 56.175 56.400 0.005 0.000 0.908 188 E CB 0.354 30.021 29.700 -0.056 0.000 0.963 188 E HN 0.361 nan 8.360 nan 0.000 0.431 189 F N 2.230 122.108 119.950 -0.120 0.000 2.631 189 F HA 0.484 5.193 4.527 0.304 0.000 0.308 189 F C -1.329 174.320 175.800 -0.251 0.000 1.097 189 F CA -1.450 56.455 58.000 -0.158 0.000 0.952 189 F CB 0.626 39.540 39.000 -0.143 0.000 1.307 189 F HN 0.106 nan 8.300 nan 0.000 0.450 190 I N 2.675 123.136 120.570 -0.181 0.000 2.441 190 I HA 0.231 4.587 4.170 0.311 0.000 0.287 190 I C -0.036 175.956 176.117 -0.209 0.000 1.049 190 I CA -0.580 60.489 61.300 -0.386 0.000 1.381 190 I CB 1.079 38.579 38.000 -0.833 0.000 1.409 190 I HN 0.660 nan 8.210 nan 0.000 0.523 191 K N 5.378 125.550 120.400 -0.380 0.000 2.285 191 K HA 0.385 4.892 4.320 0.311 0.000 0.286 191 K C -1.039 175.507 176.600 -0.089 0.000 1.072 191 K CA -0.241 55.726 56.287 -0.534 0.000 0.913 191 K CB 0.723 32.679 32.500 -0.907 0.000 1.067 191 K HN 0.556 nan 8.250 nan 0.000 0.479 192 C N 4.517 123.972 119.300 0.259 0.000 2.322 192 C HA 0.419 5.065 4.460 0.311 0.000 0.324 192 C C -0.830 174.463 174.990 0.504 0.000 1.249 192 C CA -1.069 58.172 59.018 0.371 0.000 1.453 192 C CB -0.038 27.964 27.740 0.435 0.000 2.145 192 C HN 0.660 nan 8.230 nan 0.000 0.466 193 L N 4.739 126.210 121.223 0.412 0.000 2.333 193 L HA 0.613 5.140 4.340 0.311 0.000 0.280 193 L C -0.492 176.635 176.870 0.429 0.000 1.004 193 L CA 0.182 55.245 54.840 0.372 0.000 0.820 193 L CB 0.651 42.851 42.059 0.234 0.000 1.247 193 L HN 0.818 nan 8.230 nan 0.000 0.416 194 H N 3.347 122.610 119.070 0.322 0.000 2.679 194 H HA 0.622 5.367 4.556 0.316 0.000 0.360 194 H C -1.809 173.683 175.328 0.272 0.000 1.105 194 H CA -0.392 55.840 56.048 0.306 0.000 1.196 194 H CB 2.033 31.907 29.762 0.186 0.000 1.636 194 H HN 0.664 nan 8.280 nan 0.000 0.531 195 S N 3.364 118.752 115.700 -0.520 0.000 2.541 195 S HA 0.191 4.847 4.470 0.311 0.000 0.280 195 S C 1.066 175.090 174.600 -0.961 0.000 1.112 195 S CA -0.267 57.553 58.200 -0.633 0.000 0.925 195 S CB 1.228 64.237 63.200 -0.317 0.000 1.067 195 S HN 0.575 nan 8.310 nan 0.000 0.479 196 V N 2.210 121.702 119.914 -0.704 0.000 3.078 196 V HA 0.301 4.607 4.120 0.311 0.000 0.265 196 V C 1.453 177.129 176.094 -0.695 0.000 1.122 196 V CA 1.161 63.134 62.300 -0.545 0.000 1.141 196 V CB -1.485 30.125 31.823 -0.355 0.000 0.735 196 V HN 1.860 nan 8.190 nan 0.000 0.498 197 G N -0.686 107.586 108.800 -0.880 0.000 2.225 197 G HA2 -0.252 3.895 3.960 0.311 0.000 0.264 197 G HA3 -0.252 3.895 3.960 0.311 0.000 0.264 197 G C 0.018 174.703 174.900 -0.358 0.000 1.060 197 G CA 0.080 44.602 45.100 -0.964 0.000 0.833 197 G HN 0.841 nan 8.290 nan 0.000 0.498 198 C N 1.912 121.059 119.300 -0.256 0.000 3.401 198 C HA 0.403 5.050 4.460 0.311 0.000 0.204 198 C C -1.262 173.667 174.990 -0.101 0.000 1.522 198 C CA -1.365 57.565 59.018 -0.147 0.000 1.409 198 C CB 0.342 27.992 27.740 -0.151 0.000 1.967 198 C HN 0.550 nan 8.230 nan 0.000 0.496 199 P HA 0.184 nan 4.420 nan 0.000 0.269 199 P C -0.671 176.603 177.300 -0.043 0.000 1.215 199 P CA 0.399 63.468 63.100 -0.053 0.000 0.780 199 P CB 1.019 32.698 31.700 -0.035 0.000 0.898 200 L N 3.212 124.412 121.223 -0.038 0.000 2.357 200 L HA 0.420 4.947 4.340 0.311 0.000 0.273 200 L C -1.624 175.229 176.870 -0.027 0.000 1.080 200 L CA -2.233 52.588 54.840 -0.031 0.000 0.803 200 L CB 0.460 42.502 42.059 -0.028 0.000 1.174 200 L HN 0.285 nan 8.230 nan 0.000 0.443 201 P HA 0.141 nan 4.420 nan 0.000 0.275 201 P C -0.605 176.684 177.300 -0.020 0.000 1.227 201 P CA -0.419 62.670 63.100 -0.018 0.000 0.781 201 P CB 0.764 32.456 31.700 -0.014 0.000 0.906 202 L N 3.105 124.317 121.223 -0.019 0.000 2.559 202 L HA -0.010 4.516 4.340 0.311 0.000 0.274 202 L C 1.729 178.590 176.870 -0.015 0.000 1.205 202 L CA 0.484 55.312 54.840 -0.021 0.000 0.907 202 L CB -0.027 42.021 42.059 -0.018 0.000 1.153 202 L HN 0.431 nan 8.230 nan 0.000 0.490 203 K N 2.382 122.773 120.400 -0.015 0.000 2.352 203 K HA 0.131 4.637 4.320 0.311 0.000 0.194 203 K C 0.063 176.659 176.600 -0.006 0.000 1.038 203 K CA 0.442 56.723 56.287 -0.010 0.000 1.023 203 K CB 0.429 32.923 32.500 -0.010 0.000 0.840 203 K HN 0.486 nan 8.250 nan 0.000 0.519 204 K N 1.122 121.517 120.400 -0.007 0.000 2.328 204 K HA 0.335 4.842 4.320 0.311 0.000 0.246 204 K C -2.761 173.838 176.600 -0.001 0.000 0.955 204 K CA -2.139 54.147 56.287 -0.002 0.000 0.817 204 K CB 1.549 34.050 32.500 0.001 0.000 1.208 204 K HN -0.238 nan 8.250 nan 0.000 0.432 205 P HA 0.069 nan 4.420 nan 0.000 0.271 205 P C -1.069 176.239 177.300 0.013 0.000 1.216 205 P CA -0.592 62.512 63.100 0.008 0.000 0.771 205 P CB 0.407 32.114 31.700 0.010 0.000 0.864 206 L N 4.396 125.627 121.223 0.013 0.000 2.360 206 L HA 0.151 4.677 4.340 0.311 0.000 0.276 206 L C -0.495 176.401 176.870 0.042 0.000 1.121 206 L CA 0.045 54.900 54.840 0.024 0.000 0.845 206 L CB 0.582 42.650 42.059 0.014 0.000 1.143 206 L HN 0.098 nan 8.230 nan 0.000 0.452 207 V N 6.044 125.999 119.914 0.068 0.000 2.394 207 V HA 0.327 4.634 4.120 0.311 0.000 0.282 207 V C 0.216 176.373 176.094 0.105 0.000 1.031 207 V CA -0.776 61.565 62.300 0.068 0.000 0.881 207 V CB 1.145 33.002 31.823 0.058 0.000 0.982 207 V HN 0.908 nan 8.190 nan 0.000 0.451 208 N N 4.496 123.239 118.700 0.071 0.000 2.721 208 N HA -0.209 4.717 4.740 0.311 0.000 0.249 208 N C 0.539 176.139 175.510 0.150 0.000 1.072 208 N CA 0.948 54.050 53.050 0.086 0.000 0.710 208 N CB -1.197 37.324 38.487 0.056 0.000 0.993 208 N HN 0.893 nan 8.380 nan 0.000 0.547 209 N N -1.794 116.977 118.700 0.118 0.000 2.701 209 N HA -0.230 4.696 4.740 0.311 0.000 0.250 209 N C -0.787 174.821 175.510 0.164 0.000 1.046 209 N CA 1.087 54.201 53.050 0.107 0.000 0.733 209 N CB -0.816 37.723 38.487 0.087 0.000 0.973 209 N HN 0.600 nan 8.380 nan 0.000 0.541 210 W N 0.976 122.262 121.300 -0.022 0.000 2.322 210 W HA 0.536 5.378 4.660 0.304 0.000 0.321 210 W C -0.302 176.195 176.519 -0.038 0.000 0.991 210 W CA -0.832 56.491 57.345 -0.037 0.000 1.448 210 W CB 0.578 30.019 29.460 -0.032 0.000 1.239 210 W HN 0.088 nan 8.180 nan 0.000 0.399 211 A N 5.321 127.868 122.820 -0.454 0.000 2.492 211 A HA 0.456 4.963 4.320 0.311 0.000 0.254 211 A C -0.023 177.321 177.584 -0.400 0.000 1.091 211 A CA 0.606 52.436 52.037 -0.345 0.000 0.768 211 A CB -0.384 18.425 19.000 -0.317 0.000 1.028 211 A HN 0.866 nan 8.150 nan 0.000 0.498 212 C N 1.146 120.344 119.300 -0.170 0.000 3.275 212 C HA 0.768 5.415 4.460 0.311 0.000 0.340 212 C C -0.974 173.973 174.990 -0.072 0.000 1.366 212 C CA -0.969 57.995 59.018 -0.090 0.000 1.227 212 C CB 1.518 29.338 27.740 0.134 0.000 1.512 212 C HN 0.814 nan 8.230 nan 0.000 0.461 213 N N 0.947 119.601 118.700 -0.077 0.000 2.725 213 N HA 0.405 5.332 4.740 0.311 0.000 0.248 213 N C -2.286 173.238 175.510 0.023 0.000 1.402 213 N CA -1.275 51.748 53.050 -0.045 0.000 0.766 213 N CB 1.486 39.909 38.487 -0.107 0.000 1.223 213 N HN 0.486 nan 8.380 nan 0.000 0.515 214 P HA -0.071 nan 4.420 nan 0.000 0.215 214 P C 0.767 178.112 177.300 0.075 0.000 1.153 214 P CA 1.276 64.419 63.100 0.071 0.000 0.853 214 P CB 0.605 32.346 31.700 0.068 0.000 0.788 215 E N -0.630 119.609 120.200 0.065 0.000 2.130 215 E HA -0.148 4.389 4.350 0.311 0.000 0.196 215 E C 1.551 178.200 176.600 0.082 0.000 0.998 215 E CA 1.080 57.518 56.400 0.063 0.000 0.806 215 E CB -0.798 28.931 29.700 0.049 0.000 0.738 215 E HN 0.266 nan 8.360 nan 0.000 0.459 216 L N 0.404 121.698 121.223 0.119 0.000 2.667 216 L HA 0.150 4.677 4.340 0.311 0.000 0.232 216 L C 0.202 177.223 176.870 0.253 0.000 1.138 216 L CA -0.277 54.664 54.840 0.169 0.000 0.921 216 L CB 0.116 42.325 42.059 0.249 0.000 1.180 216 L HN -0.072 nan 8.230 nan 0.000 0.487 217 T N 2.415 117.085 114.554 0.193 0.000 2.905 217 T HA 0.198 4.735 4.350 0.311 0.000 0.299 217 T C -0.395 174.437 174.700 0.219 0.000 1.024 217 T CA 0.672 62.893 62.100 0.203 0.000 1.151 217 T CB 0.658 69.615 68.868 0.149 0.000 0.987 217 T HN -0.038 nan 8.240 nan 0.000 0.535 218 L N 5.071 126.459 121.223 0.275 0.000 2.588 218 L HA 0.571 5.098 4.340 0.311 0.000 0.263 218 L C -1.768 175.286 176.870 0.306 0.000 0.935 218 L CA -0.445 54.557 54.840 0.271 0.000 0.891 218 L CB 1.678 43.907 42.059 0.283 0.000 1.318 218 L HN 0.525 nan 8.230 nan 0.000 0.409 219 I N 4.966 125.686 120.570 0.250 0.000 2.390 219 I HA 0.780 5.137 4.170 0.311 0.000 0.283 219 I C 0.043 176.213 176.117 0.089 0.000 1.016 219 I CA -0.077 61.343 61.300 0.200 0.000 1.151 219 I CB 1.644 39.775 38.000 0.218 0.000 1.293 219 I HN 0.709 nan 8.210 nan 0.000 0.458 220 A N 4.951 127.752 122.820 -0.032 0.000 2.340 220 A HA 0.878 5.384 4.320 0.311 0.000 0.331 220 A C -1.124 176.180 177.584 -0.467 0.000 1.140 220 A CA -0.517 51.413 52.037 -0.179 0.000 0.801 220 A CB 0.533 19.365 19.000 -0.280 0.000 1.234 220 A HN 0.697 nan 8.150 nan 0.000 0.469 221 H N 0.511 119.513 119.070 -0.114 0.000 2.609 221 H HA 0.571 5.279 4.556 0.254 0.000 0.344 221 H C -1.332 173.904 175.328 -0.153 0.000 1.040 221 H CA -0.414 55.590 56.048 -0.073 0.000 1.216 221 H CB 1.390 31.162 29.762 0.017 0.000 1.529 221 H HN 0.397 nan 8.280 nan 0.000 0.519 222 L N 5.308 126.490 121.223 -0.069 0.000 2.445 222 L HA 0.299 4.825 4.340 0.311 0.000 0.252 222 L C -1.781 175.047 176.870 -0.071 0.000 1.105 222 L CA -1.217 53.555 54.840 -0.113 0.000 0.943 222 L CB 1.409 43.352 42.059 -0.193 0.000 1.277 222 L HN 0.522 nan 8.230 nan 0.000 0.465 223 P HA -0.132 nan 4.420 nan 0.000 0.218 223 P C 0.549 177.804 177.300 -0.074 0.000 1.149 223 P CA 1.205 64.279 63.100 -0.043 0.000 0.817 223 P CB 0.420 32.112 31.700 -0.013 0.000 0.785 224 D N -0.144 120.219 120.400 -0.062 0.000 2.219 224 D HA -0.086 4.740 4.640 0.311 0.000 0.205 224 D C 1.819 178.063 176.300 -0.094 0.000 0.970 224 D CA 0.850 54.808 54.000 -0.070 0.000 0.851 224 D CB -0.205 40.568 40.800 -0.045 0.000 0.943 224 D HN 0.314 nan 8.370 nan 0.000 0.488 225 R N 0.278 120.713 120.500 -0.108 0.000 2.334 225 R HA 0.134 4.661 4.340 0.311 0.000 0.216 225 R C 0.010 176.199 176.300 -0.185 0.000 0.905 225 R CA -0.285 55.733 56.100 -0.137 0.000 1.064 225 R CB 0.535 30.756 30.300 -0.132 0.000 1.046 225 R HN -0.118 nan 8.270 nan 0.000 0.508 226 R N 1.433 121.826 120.500 -0.178 0.000 3.333 226 R HA -0.171 4.355 4.340 0.311 0.000 0.256 226 R C -1.040 175.112 176.300 -0.248 0.000 1.010 226 R CA 0.879 56.843 56.100 -0.226 0.000 0.680 226 R CB -2.459 27.669 30.300 -0.287 0.000 1.102 226 R HN 0.500 nan 8.270 nan 0.000 0.440 227 E N -0.097 119.997 120.200 -0.177 0.000 2.266 227 E HA 0.635 5.172 4.350 0.311 0.000 0.268 227 E C -0.107 176.443 176.600 -0.083 0.000 0.879 227 E CA -0.899 55.414 56.400 -0.145 0.000 0.762 227 E CB 1.834 31.458 29.700 -0.128 0.000 1.199 227 E HN 0.109 nan 8.360 nan 0.000 0.422 228 I N 3.270 123.825 120.570 -0.026 0.000 2.465 228 I HA 0.442 4.799 4.170 0.311 0.000 0.291 228 I C -0.699 175.462 176.117 0.075 0.000 1.014 228 I CA -0.568 60.724 61.300 -0.012 0.000 1.093 228 I CB 1.454 39.489 38.000 0.057 0.000 1.267 228 I HN 0.335 nan 8.210 nan 0.000 0.431 229 I N 4.716 125.329 120.570 0.071 0.000 2.497 229 I HA 0.298 4.655 4.170 0.311 0.000 0.284 229 I C -0.556 175.793 176.117 0.387 0.000 1.060 229 I CA -0.232 61.223 61.300 0.259 0.000 1.071 229 I CB 1.906 40.110 38.000 0.340 0.000 1.216 229 I HN 0.439 nan 8.210 nan 0.000 0.442 230 S N 6.687 122.692 115.700 0.508 0.000 2.605 230 S HA 0.667 5.324 4.470 0.311 0.000 0.308 230 S C -1.327 173.615 174.600 0.570 0.000 1.113 230 S CA -0.365 58.130 58.200 0.490 0.000 1.049 230 S CB 0.928 64.365 63.200 0.395 0.000 1.001 230 S HN 0.405 nan 8.310 nan 0.000 0.480 231 F N 3.666 123.762 119.950 0.244 0.000 2.540 231 F HA 0.658 5.369 4.527 0.306 0.000 0.317 231 F C 0.903 176.691 175.800 -0.020 0.000 1.104 231 F CA 0.543 58.513 58.000 -0.049 0.000 0.913 231 F CB 1.703 40.538 39.000 -0.275 0.000 1.170 231 F HN 0.815 nan 8.300 nan 0.000 0.450 232 G N 2.642 111.040 108.800 -0.669 0.000 2.217 232 G HA2 -0.215 3.931 3.960 0.311 0.000 0.246 232 G HA3 -0.215 3.931 3.960 0.311 0.000 0.246 232 G C -0.034 174.806 174.900 -0.101 0.000 0.990 232 G CA 0.169 45.007 45.100 -0.436 0.000 0.627 232 G HN 0.955 nan 8.290 nan 0.000 0.522 233 S N -0.074 115.663 115.700 0.063 0.000 2.473 233 S HA 0.627 5.284 4.470 0.311 0.000 0.307 233 S C 1.220 176.011 174.600 0.318 0.000 1.094 233 S CA 0.743 59.074 58.200 0.219 0.000 1.070 233 S CB 1.429 64.798 63.200 0.282 0.000 1.019 233 S HN 1.239 nan 8.310 nan 0.000 0.480 234 G N 2.614 111.602 108.800 0.314 0.000 2.986 234 G HA2 0.109 4.255 3.960 0.311 0.000 0.213 234 G HA3 0.109 4.255 3.960 0.311 0.000 0.213 234 G C 0.048 175.209 174.900 0.436 0.000 1.156 234 G CA -0.061 45.186 45.100 0.245 0.000 0.763 234 G HN 0.743 nan 8.290 nan 0.000 0.547 235 Y N 1.888 122.420 120.300 0.386 0.000 2.335 235 Y HA 0.431 5.167 4.550 0.310 0.000 0.331 235 Y C 1.322 177.357 175.900 0.225 0.000 1.094 235 Y CA -0.235 58.059 58.100 0.324 0.000 1.253 235 Y CB 0.733 39.309 38.460 0.194 0.000 1.203 235 Y HN 0.337 nan 8.280 nan 0.000 0.508 236 G N 4.394 112.660 108.800 -0.890 0.000 2.698 236 G HA2 -0.460 3.687 3.960 0.311 0.000 0.346 236 G HA3 -0.460 3.687 3.960 0.311 0.000 0.346 236 G C 1.273 175.693 174.900 -0.799 0.000 1.287 236 G CA 0.816 45.122 45.100 -1.323 0.000 0.990 236 G HN 1.574 nan 8.290 nan 0.000 0.545 237 G N -0.018 108.488 108.800 -0.491 0.000 2.499 237 G HA2 -0.216 3.930 3.960 0.311 0.000 0.221 237 G HA3 -0.216 3.930 3.960 0.311 0.000 0.221 237 G C 1.474 176.425 174.900 0.085 0.000 1.109 237 G CA 1.668 46.751 45.100 -0.027 0.000 0.749 237 G HN 0.627 nan 8.290 nan 0.000 0.568 238 N N 0.077 118.864 118.700 0.144 0.000 2.424 238 N HA -0.016 4.911 4.740 0.311 0.000 0.178 238 N C 2.225 177.779 175.510 0.074 0.000 1.060 238 N CA 1.274 54.442 53.050 0.198 0.000 0.901 238 N CB 0.335 39.011 38.487 0.315 0.000 0.979 238 N HN 0.513 nan 8.380 nan 0.000 0.451 239 S N -0.733 114.902 115.700 -0.108 0.000 2.619 239 S HA 0.238 4.895 4.470 0.311 0.000 0.238 239 S C 0.565 174.929 174.600 -0.395 0.000 1.068 239 S CA -0.396 57.551 58.200 -0.421 0.000 0.926 239 S CB 0.057 62.992 63.200 -0.442 0.000 0.864 239 S HN 0.007 nan 8.310 nan 0.000 0.493 240 L N 3.230 124.264 121.223 -0.314 0.000 2.356 240 L HA 0.409 4.936 4.340 0.311 0.000 0.282 240 L C 0.799 177.534 176.870 -0.225 0.000 1.132 240 L CA -0.302 54.335 54.840 -0.338 0.000 0.923 240 L CB 0.318 42.093 42.059 -0.473 0.000 1.278 240 L HN 0.222 nan 8.230 nan 0.000 0.436 241 L N 1.900 123.035 121.223 -0.148 0.000 2.291 241 L HA -0.023 4.503 4.340 0.311 0.000 0.214 241 L C 2.460 179.436 176.870 0.176 0.000 1.120 241 L CA 0.923 55.797 54.840 0.056 0.000 0.799 241 L CB -0.353 41.804 42.059 0.164 0.000 0.925 241 L HN 0.794 nan 8.230 nan 0.000 0.446 242 G N 0.245 109.039 108.800 -0.010 0.000 2.432 242 G HA2 -0.265 3.882 3.960 0.311 0.000 0.219 242 G HA3 -0.265 3.882 3.960 0.311 0.000 0.219 242 G C 1.635 176.563 174.900 0.046 0.000 1.135 242 G CA 0.644 45.812 45.100 0.114 0.000 0.767 242 G HN 0.284 nan 8.290 nan 0.000 0.550 243 K N -0.107 120.269 120.400 -0.040 0.000 2.005 243 K HA 0.029 4.535 4.320 0.311 0.000 0.214 243 K C 2.432 179.035 176.600 0.004 0.000 1.030 243 K CA 0.772 57.014 56.287 -0.074 0.000 0.955 243 K CB -0.051 32.344 32.500 -0.175 0.000 0.767 243 K HN -0.080 nan 8.250 nan 0.000 0.446 244 K N 0.461 120.871 120.400 0.017 0.000 2.067 244 K HA 0.007 4.514 4.320 0.311 0.000 0.203 244 K C 2.365 179.091 176.600 0.210 0.000 1.048 244 K CA 0.911 57.211 56.287 0.021 0.000 0.954 244 K CB -0.698 31.862 32.500 0.100 0.000 0.737 244 K HN 0.333 nan 8.250 nan 0.000 0.444 245 C N 0.979 120.468 119.300 0.314 0.000 2.432 245 C HA -0.086 4.561 4.460 0.311 0.000 0.277 245 C C 2.569 177.856 174.990 0.496 0.000 1.249 245 C CA 0.408 59.722 59.018 0.493 0.000 1.725 245 C CB -0.838 27.161 27.740 0.431 0.000 2.028 245 C HN 0.363 nan 8.230 nan 0.000 0.477 246 F N 2.042 122.163 119.950 0.285 0.000 2.123 246 F HA 0.250 4.894 4.527 0.194 0.000 0.289 246 F C 2.323 178.343 175.800 0.366 0.000 1.099 246 F CA 1.382 59.573 58.000 0.319 0.000 1.234 246 F CB -1.204 38.020 39.000 0.373 0.000 1.034 246 F HN 0.118 nan 8.300 nan 0.000 0.479 247 A N 0.077 123.218 122.820 0.535 0.000 2.119 247 A HA 0.078 4.585 4.320 0.311 0.000 0.217 247 A C 2.139 180.072 177.584 0.581 0.000 1.153 247 A CA 1.281 53.681 52.037 0.606 0.000 0.692 247 A CB -0.606 18.515 19.000 0.202 0.000 0.799 247 A HN 0.488 nan 8.150 nan 0.000 0.458 248 L N -2.336 119.080 121.223 0.322 0.000 2.435 248 L HA 0.134 4.660 4.340 0.311 0.000 0.195 248 L C 2.679 179.677 176.870 0.214 0.000 1.072 248 L CA 0.155 55.127 54.840 0.220 0.000 0.833 248 L CB -0.407 41.635 42.059 -0.029 0.000 1.081 248 L HN 0.185 nan 8.230 nan 0.000 0.485 249 R N 0.378 120.993 120.500 0.192 0.000 2.055 249 R HA -0.027 4.499 4.340 0.311 0.000 0.228 249 R C 2.197 178.576 176.300 0.131 0.000 1.143 249 R CA 1.098 57.259 56.100 0.102 0.000 0.945 249 R CB -0.249 29.952 30.300 -0.165 0.000 0.841 249 R HN 0.166 nan 8.270 nan 0.000 0.429 250 I N 1.271 121.953 120.570 0.187 0.000 2.179 250 I HA -0.207 4.149 4.170 0.311 0.000 0.242 250 I C 2.624 178.789 176.117 0.080 0.000 1.088 250 I CA 1.387 62.761 61.300 0.123 0.000 1.357 250 I CB -1.418 36.633 38.000 0.084 0.000 1.051 250 I HN 0.176 nan 8.210 nan 0.000 0.409 251 A N 1.308 124.243 122.820 0.193 0.000 1.908 251 A HA -0.229 4.278 4.320 0.311 0.000 0.218 251 A C 2.538 179.952 177.584 -0.284 0.000 1.181 251 A CA 2.500 54.535 52.037 -0.004 0.000 0.627 251 A CB -0.883 18.181 19.000 0.105 0.000 0.818 251 A HN 0.587 nan 8.150 nan 0.000 0.445 252 S N -0.839 114.836 115.700 -0.042 0.000 2.399 252 S HA -0.159 4.498 4.470 0.311 0.000 0.231 252 S C 2.062 176.580 174.600 -0.136 0.000 1.022 252 S CA 1.130 59.352 58.200 0.036 0.000 0.983 252 S CB -0.375 63.055 63.200 0.383 0.000 0.803 252 S HN 0.481 nan 8.310 nan 0.000 0.480 253 R N 1.240 121.643 120.500 -0.162 0.000 2.073 253 R HA 0.227 4.754 4.340 0.311 0.000 0.229 253 R C 2.319 178.335 176.300 -0.473 0.000 1.120 253 R CA 1.066 56.926 56.100 -0.401 0.000 0.967 253 R CB -1.029 29.165 30.300 -0.177 0.000 0.862 253 R HN 0.505 nan 8.270 nan 0.000 0.436 254 L N 0.115 121.108 121.223 -0.383 0.000 2.083 254 L HA -0.162 4.365 4.340 0.311 0.000 0.209 254 L C 2.600 179.073 176.870 -0.662 0.000 1.083 254 L CA 1.447 56.074 54.840 -0.355 0.000 0.752 254 L CB -0.583 41.389 42.059 -0.145 0.000 0.899 254 L HN 0.167 nan 8.230 nan 0.000 0.433 255 A N -0.039 122.046 122.820 -1.225 0.000 1.873 255 A HA -0.232 4.275 4.320 0.311 0.000 0.215 255 A C 2.421 179.445 177.584 -0.933 0.000 1.186 255 A CA 1.734 52.687 52.037 -1.807 0.000 0.616 255 A CB -0.462 17.461 19.000 -1.796 0.000 0.823 255 A HN 0.295 nan 8.150 nan 0.000 0.442 256 K N 0.069 119.923 120.400 -0.909 0.000 2.074 256 K HA -0.228 4.279 4.320 0.311 0.000 0.209 256 K C 1.772 178.003 176.600 -0.615 0.000 1.048 256 K CA 1.950 57.582 56.287 -1.091 0.000 0.926 256 K CB -0.233 31.546 32.500 -1.201 0.000 0.713 256 K HN 0.649 nan 8.250 nan 0.000 0.444 257 E N -0.150 119.765 120.200 -0.475 0.000 2.150 257 E HA -0.151 4.386 4.350 0.311 0.000 0.193 257 E C 1.303 177.820 176.600 -0.138 0.000 0.985 257 E CA 1.169 57.412 56.400 -0.263 0.000 0.814 257 E CB 0.173 29.743 29.700 -0.216 0.000 0.752 257 E HN 0.464 nan 8.360 nan 0.000 0.466 258 E N -1.252 118.873 120.200 -0.124 0.000 2.511 258 E HA 0.158 4.695 4.350 0.311 0.000 0.209 258 E C 0.515 177.228 176.600 0.188 0.000 0.986 258 E CA 0.277 56.726 56.400 0.082 0.000 0.974 258 E CB 1.504 31.366 29.700 0.269 0.000 1.030 258 E HN 0.236 nan 8.360 nan 0.000 0.490 259 G N 1.769 110.647 108.800 0.130 0.000 2.167 259 G HA2 -0.158 3.989 3.960 0.311 0.000 0.194 259 G HA3 -0.158 3.989 3.960 0.311 0.000 0.194 259 G C -0.302 174.784 174.900 0.311 0.000 1.027 259 G CA 0.133 45.380 45.100 0.245 0.000 0.717 259 G HN 0.214 nan 8.290 nan 0.000 0.501 260 W N -1.263 120.095 121.300 0.098 0.000 3.505 260 W HA 0.851 5.686 4.660 0.291 0.000 0.338 260 W C -0.996 175.564 176.519 0.068 0.000 1.159 260 W CA -1.577 55.778 57.345 0.016 0.000 0.981 260 W CB 0.820 30.254 29.460 -0.045 0.000 1.575 260 W HN 0.162 nan 8.180 nan 0.000 0.608 261 L N 1.291 122.661 121.223 0.244 0.000 2.422 261 L HA 0.735 5.262 4.340 0.311 0.000 0.264 261 L C -0.564 176.460 176.870 0.258 0.000 0.984 261 L CA -0.986 53.913 54.840 0.097 0.000 0.819 261 L CB 1.920 43.968 42.059 -0.018 0.000 1.330 261 L HN 0.585 nan 8.230 nan 0.000 0.410 262 A N 2.353 125.283 122.820 0.183 0.000 2.332 262 A HA 0.831 5.338 4.320 0.311 0.000 0.300 262 A C -0.964 176.892 177.584 0.453 0.000 1.153 262 A CA -0.501 51.743 52.037 0.345 0.000 0.764 262 A CB 1.138 20.168 19.000 0.050 0.000 1.174 262 A HN 0.594 nan 8.150 nan 0.000 0.467 263 E N 0.640 121.144 120.200 0.506 0.000 2.393 263 E HA 0.203 4.740 4.350 0.311 0.000 0.273 263 E C -1.102 175.736 176.600 0.397 0.000 0.918 263 E CA -0.604 56.092 56.400 0.493 0.000 0.773 263 E CB 1.547 31.591 29.700 0.573 0.000 1.275 263 E HN 0.794 nan 8.360 nan 0.000 0.451 264 H N 2.269 121.471 119.070 0.221 0.000 2.998 264 H HA 0.294 5.053 4.556 0.339 0.000 0.241 264 H C -0.672 174.722 175.328 0.110 0.000 1.852 264 H CA 0.029 56.137 56.048 0.100 0.000 1.419 264 H CB -0.137 29.675 29.762 0.082 0.000 1.793 264 H HN 0.176 nan 8.280 nan 0.000 0.553 265 M N 4.284 123.967 119.600 0.139 0.000 2.326 265 M HA 0.160 4.827 4.480 0.311 0.000 0.292 265 M C -0.807 175.503 176.300 0.016 0.000 1.081 265 M CA -1.284 54.028 55.300 0.020 0.000 0.919 265 M CB 2.658 35.322 32.600 0.107 0.000 1.634 265 M HN 0.293 nan 8.290 nan 0.000 0.451 266 L N 1.561 122.744 121.223 -0.067 0.000 2.464 266 L HA 0.642 5.169 4.340 0.311 0.000 0.264 266 L C -0.992 175.901 176.870 0.039 0.000 1.199 266 L CA 0.284 55.122 54.840 -0.002 0.000 0.818 266 L CB 0.176 42.211 42.059 -0.040 0.000 1.102 266 L HN 0.585 nan 8.230 nan 0.000 0.473 267 I N 3.316 123.945 120.570 0.098 0.000 2.447 267 I HA 0.476 4.832 4.170 0.311 0.000 0.287 267 I C -0.857 175.372 176.117 0.188 0.000 1.023 267 I CA -0.672 60.714 61.300 0.145 0.000 1.083 267 I CB 1.736 39.827 38.000 0.152 0.000 1.245 267 I HN 0.684 nan 8.210 nan 0.000 0.434 268 L N 3.847 125.192 121.223 0.204 0.000 2.371 268 L HA 1.033 5.560 4.340 0.311 0.000 0.262 268 L C -0.238 176.745 176.870 0.188 0.000 1.006 268 L CA -0.462 54.491 54.840 0.189 0.000 0.818 268 L CB 1.705 43.836 42.059 0.119 0.000 1.354 268 L HN 0.490 nan 8.230 nan 0.000 0.415 269 G N 1.961 110.789 108.800 0.047 0.000 2.372 269 G HA2 0.643 4.789 3.960 0.311 0.000 0.323 269 G HA3 0.643 4.789 3.960 0.311 0.000 0.323 269 G C -1.235 173.594 174.900 -0.118 0.000 1.152 269 G CA -0.508 44.377 45.100 -0.358 0.000 0.906 269 G HN 0.935 nan 8.290 nan 0.000 0.460 270 I N 1.731 122.275 120.570 -0.044 0.000 2.433 270 I HA 0.580 4.937 4.170 0.311 0.000 0.292 270 I C -0.552 175.675 176.117 0.183 0.000 1.001 270 I CA -0.434 60.953 61.300 0.145 0.000 1.119 270 I CB 1.958 40.134 38.000 0.294 0.000 1.289 270 I HN 0.366 nan 8.210 nan 0.000 0.438 271 T N 6.355 120.966 114.554 0.096 0.000 2.807 271 T HA 0.354 4.890 4.350 0.311 0.000 0.279 271 T C -0.299 174.176 174.700 -0.376 0.000 0.993 271 T CA -0.704 61.363 62.100 -0.054 0.000 0.970 271 T CB 1.055 69.881 68.868 -0.070 0.000 0.950 271 T HN 0.745 nan 8.240 nan 0.000 0.441 272 N N 3.084 121.305 118.700 -0.799 0.000 2.413 272 N HA 0.319 5.246 4.740 0.311 0.000 0.266 272 N C -2.282 172.611 175.510 -1.028 0.000 1.238 272 N CA -2.213 49.822 53.050 -1.691 0.000 0.972 272 N CB -0.087 37.265 38.487 -1.891 0.000 1.210 272 N HN 0.092 nan 8.380 nan 0.000 0.547 273 P HA -0.061 nan 4.420 nan 0.000 0.225 273 P C 0.229 177.333 177.300 -0.327 0.000 1.148 273 P CA 1.191 63.971 63.100 -0.533 0.000 0.779 273 P CB 0.131 31.588 31.700 -0.405 0.000 0.780 274 E N -1.563 118.443 120.200 -0.323 0.000 2.479 274 E HA 0.158 4.694 4.350 0.311 0.000 0.193 274 E C 1.461 177.975 176.600 -0.144 0.000 1.049 274 E CA 0.728 57.019 56.400 -0.182 0.000 0.870 274 E CB -0.387 29.233 29.700 -0.134 0.000 0.944 274 E HN 0.230 nan 8.360 nan 0.000 0.492 275 G N 2.278 110.967 108.800 -0.187 0.000 2.176 275 G HA2 -0.328 3.819 3.960 0.311 0.000 0.253 275 G HA3 -0.328 3.819 3.960 0.311 0.000 0.253 275 G C 0.332 175.195 174.900 -0.061 0.000 0.979 275 G CA 0.371 45.401 45.100 -0.116 0.000 0.641 275 G HN 0.276 nan 8.290 nan 0.000 0.530 276 K N 0.842 121.215 120.400 -0.045 0.000 2.368 276 K HA 0.471 4.978 4.320 0.311 0.000 0.282 276 K C 0.301 177.020 176.600 0.199 0.000 1.035 276 K CA -0.053 56.294 56.287 0.101 0.000 0.973 276 K CB 0.342 32.970 32.500 0.213 0.000 0.957 276 K HN 0.269 nan 8.250 nan 0.000 0.474 277 K N 3.680 124.177 120.400 0.161 0.000 2.316 277 K HA 0.351 4.858 4.320 0.311 0.000 0.251 277 K C -1.306 175.325 176.600 0.051 0.000 0.934 277 K CA -0.764 55.596 56.287 0.121 0.000 0.802 277 K CB 1.186 33.677 32.500 -0.014 0.000 1.171 277 K HN 0.460 nan 8.250 nan 0.000 0.426 278 K N 2.267 122.676 120.400 0.015 0.000 2.477 278 K HA 0.326 4.833 4.320 0.311 0.000 0.255 278 K C -1.542 174.983 176.600 -0.125 0.000 0.952 278 K CA -0.857 55.395 56.287 -0.059 0.000 0.826 278 K CB 1.603 33.992 32.500 -0.185 0.000 1.331 278 K HN 0.364 nan 8.250 nan 0.000 0.437 279 Y N 1.265 121.607 120.300 0.071 0.000 2.361 279 Y HA 0.494 5.231 4.550 0.312 0.000 0.332 279 Y C -0.094 175.857 175.900 0.084 0.000 1.101 279 Y CA -0.713 57.439 58.100 0.087 0.000 1.137 279 Y CB 1.108 39.613 38.460 0.075 0.000 1.207 279 Y HN 0.165 nan 8.280 nan 0.000 0.463 280 L N 2.476 123.841 121.223 0.237 0.000 2.370 280 L HA 0.908 5.434 4.340 0.311 0.000 0.266 280 L C -0.628 176.326 176.870 0.141 0.000 1.002 280 L CA -1.215 53.728 54.840 0.171 0.000 0.818 280 L CB 2.137 44.280 42.059 0.140 0.000 1.325 280 L HN 0.689 nan 8.230 nan 0.000 0.418 281 A N 1.636 124.513 122.820 0.095 0.000 2.355 281 A HA 0.960 5.467 4.320 0.311 0.000 0.324 281 A C -0.882 176.659 177.584 -0.073 0.000 1.117 281 A CA -0.453 51.609 52.037 0.041 0.000 0.785 281 A CB 1.748 20.798 19.000 0.084 0.000 1.254 281 A HN 0.780 nan 8.150 nan 0.000 0.453 282 A N 0.691 123.398 122.820 -0.189 0.000 2.408 282 A HA 0.749 5.256 4.320 0.311 0.000 0.295 282 A C -0.332 176.899 177.584 -0.588 0.000 1.040 282 A CA 0.157 51.920 52.037 -0.456 0.000 0.707 282 A CB 1.144 19.773 19.000 -0.617 0.000 1.235 282 A HN 2.248 nan 8.150 nan 0.000 0.418 283 A N 2.443 125.001 122.820 -0.436 0.000 2.273 283 A HA 0.767 5.274 4.320 0.311 0.000 0.320 283 A C -1.082 176.432 177.584 -0.116 0.000 1.358 283 A CA -0.195 51.727 52.037 -0.191 0.000 0.910 283 A CB -0.303 18.841 19.000 0.240 0.000 1.159 283 A HN 0.656 nan 8.150 nan 0.000 0.526 284 F N 2.120 122.026 119.950 -0.073 0.000 2.546 284 F HA 0.610 5.325 4.527 0.314 0.000 0.320 284 F C -2.329 173.417 175.800 -0.091 0.000 1.076 284 F CA -2.989 54.963 58.000 -0.081 0.000 0.928 284 F CB 1.186 40.140 39.000 -0.077 0.000 1.189 284 F HN 0.275 nan 8.300 nan 0.000 0.465 285 P HA 0.103 nan 4.420 nan 0.000 0.271 285 P C -0.453 176.948 177.300 0.169 0.000 1.233 285 P CA -0.247 62.951 63.100 0.162 0.000 0.789 285 P CB 0.394 32.137 31.700 0.072 0.000 0.951 286 S N 0.759 116.617 115.700 0.265 0.000 2.558 286 S HA 0.235 4.892 4.470 0.311 0.000 0.287 286 S C 1.020 175.676 174.600 0.092 0.000 1.321 286 S CA 0.902 59.232 58.200 0.215 0.000 1.048 286 S CB -0.719 62.628 63.200 0.244 0.000 0.844 286 S HN 0.723 nan 8.310 nan 0.000 0.512 287 A N 0.720 123.582 122.820 0.070 0.000 2.899 287 A HA -0.191 4.315 4.320 0.311 0.000 0.257 287 A C 1.013 178.592 177.584 -0.009 0.000 1.335 287 A CA 0.777 52.827 52.037 0.021 0.000 0.924 287 A CB -2.436 16.555 19.000 -0.015 0.000 1.105 287 A HN 0.860 nan 8.150 nan 0.000 0.765 288 C N -1.144 118.179 119.300 0.038 0.000 3.125 288 C HA 0.579 5.226 4.460 0.311 0.000 0.284 288 C C 1.897 177.001 174.990 0.189 0.000 1.386 288 C CA 0.304 59.324 59.018 0.003 0.000 1.763 288 C CB -0.524 27.165 27.740 -0.086 0.000 2.377 288 C HN 2.399 nan 8.230 nan 0.000 0.620 289 G N 1.682 110.630 108.800 0.246 0.000 2.130 289 G HA2 -0.215 3.932 3.960 0.311 0.000 0.216 289 G HA3 -0.215 3.932 3.960 0.311 0.000 0.216 289 G C 0.824 175.972 174.900 0.413 0.000 0.999 289 G CA 0.341 45.619 45.100 0.297 0.000 0.686 289 G HN 0.513 nan 8.290 nan 0.000 0.515 290 K N -0.492 120.151 120.400 0.405 0.000 2.026 290 K HA -0.080 4.427 4.320 0.311 0.000 0.208 290 K C 2.619 179.307 176.600 0.147 0.000 1.048 290 K CA 1.881 58.323 56.287 0.258 0.000 0.929 290 K CB -0.294 32.227 32.500 0.035 0.000 0.713 290 K HN 0.352 nan 8.250 nan 0.000 0.439 291 T N 1.456 116.069 114.554 0.098 0.000 2.720 291 T HA -0.128 4.409 4.350 0.311 0.000 0.268 291 T C 1.456 176.180 174.700 0.040 0.000 1.037 291 T CA 1.848 63.963 62.100 0.025 0.000 1.144 291 T CB -0.405 68.463 68.868 0.000 0.000 0.864 291 T HN 0.301 nan 8.240 nan 0.000 0.444 292 N N 1.192 119.958 118.700 0.110 0.000 2.104 292 N HA -0.069 4.858 4.740 0.311 0.000 0.190 292 N C 1.588 177.157 175.510 0.100 0.000 1.024 292 N CA 0.715 53.839 53.050 0.124 0.000 0.853 292 N CB -0.387 38.217 38.487 0.194 0.000 1.008 292 N HN 0.177 nan 8.380 nan 0.000 0.424 293 L N 0.537 121.855 121.223 0.157 0.000 2.109 293 L HA 0.195 4.721 4.340 0.311 0.000 0.207 293 L C 1.957 178.887 176.870 0.101 0.000 1.086 293 L CA 1.196 56.137 54.840 0.169 0.000 0.760 293 L CB -0.926 41.356 42.059 0.372 0.000 0.910 293 L HN 0.155 nan 8.230 nan 0.000 0.437 294 A N -0.602 122.260 122.820 0.069 0.000 2.015 294 A HA -0.109 4.398 4.320 0.311 0.000 0.219 294 A C 1.929 179.504 177.584 -0.015 0.000 1.163 294 A CA 1.868 53.920 52.037 0.026 0.000 0.646 294 A CB -0.480 18.518 19.000 -0.003 0.000 0.806 294 A HN 0.544 nan 8.150 nan 0.000 0.448 295 M N -0.956 118.617 119.600 -0.045 0.000 2.496 295 M HA 0.306 4.973 4.480 0.311 0.000 0.330 295 M C 0.424 176.706 176.300 -0.029 0.000 1.133 295 M CA -0.162 55.093 55.300 -0.074 0.000 0.964 295 M CB 0.089 32.597 32.600 -0.153 0.000 1.401 295 M HN 0.452 nan 8.290 nan 0.000 0.520 296 M N 2.338 121.939 119.600 0.002 0.000 2.240 296 M HA -0.047 4.620 4.480 0.311 0.000 0.346 296 M C -0.085 176.215 176.300 -0.001 0.000 1.236 296 M CA 1.258 56.561 55.300 0.005 0.000 0.986 296 M CB 0.316 32.920 32.600 0.006 0.000 1.786 296 M HN 0.302 nan 8.290 nan 0.000 0.457 297 N N 7.372 126.067 118.700 -0.009 0.000 2.558 297 N HA 0.356 5.283 4.740 0.311 0.000 0.233 297 N C -2.459 173.043 175.510 -0.013 0.000 1.038 297 N CA -1.579 51.465 53.050 -0.010 0.000 0.934 297 N CB 0.791 39.265 38.487 -0.022 0.000 1.175 297 N HN 0.441 nan 8.380 nan 0.000 0.512 298 P HA 0.015 nan 4.420 nan 0.000 0.267 298 P C 0.849 178.143 177.300 -0.009 0.000 1.205 298 P CA -0.054 63.043 63.100 -0.004 0.000 0.765 298 P CB 1.031 32.766 31.700 0.058 0.000 0.828 299 T N 0.589 115.115 114.554 -0.048 0.000 2.985 299 T HA 0.029 4.566 4.350 0.311 0.000 0.266 299 T C 1.050 175.739 174.700 -0.018 0.000 1.076 299 T CA 0.247 62.319 62.100 -0.046 0.000 1.135 299 T CB -0.416 68.401 68.868 -0.085 0.000 0.890 299 T HN 0.212 nan 8.240 nan 0.000 0.480 300 L N 2.927 124.134 121.223 -0.025 0.000 2.462 300 L HA 0.297 4.824 4.340 0.311 0.000 0.272 300 L C -2.270 174.709 176.870 0.182 0.000 1.166 300 L CA -2.142 52.719 54.840 0.035 0.000 0.880 300 L CB 0.191 42.180 42.059 -0.116 0.000 1.142 300 L HN 0.050 nan 8.230 nan 0.000 0.473 301 P HA 0.087 nan 4.420 nan 0.000 0.268 301 P C 0.780 178.169 177.300 0.149 0.000 1.204 301 P CA 0.489 63.662 63.100 0.122 0.000 0.768 301 P CB 0.978 32.720 31.700 0.070 0.000 0.842 302 G N 0.734 109.566 108.800 0.053 0.000 2.268 302 G HA2 -0.223 3.924 3.960 0.311 0.000 0.240 302 G HA3 -0.223 3.924 3.960 0.311 0.000 0.240 302 G C -0.388 174.405 174.900 -0.177 0.000 1.010 302 G CA -0.593 44.458 45.100 -0.082 0.000 0.618 302 G HN 0.398 nan 8.290 nan 0.000 0.516 303 W N 1.664 122.923 121.300 -0.068 0.000 2.261 303 W HA 0.689 5.535 4.660 0.310 0.000 0.323 303 W C 0.639 177.123 176.519 -0.058 0.000 1.243 303 W CA -0.159 57.138 57.345 -0.081 0.000 1.210 303 W CB 0.797 30.209 29.460 -0.080 0.000 1.149 303 W HN 0.027 nan 8.180 nan 0.000 0.562 304 K N 1.831 122.314 120.400 0.138 0.000 2.378 304 K HA 0.641 5.148 4.320 0.311 0.000 0.252 304 K C -1.360 175.304 176.600 0.108 0.000 0.931 304 K CA -0.995 55.344 56.287 0.086 0.000 0.794 304 K CB 2.427 34.938 32.500 0.018 0.000 1.181 304 K HN 0.115 nan 8.250 nan 0.000 0.425 305 V N 2.539 122.502 119.914 0.082 0.000 2.495 305 V HA 0.330 4.637 4.120 0.311 0.000 0.298 305 V C -0.621 175.501 176.094 0.045 0.000 1.031 305 V CA -0.722 61.620 62.300 0.069 0.000 0.871 305 V CB 1.708 33.572 31.823 0.068 0.000 0.988 305 V HN 0.743 nan 8.190 nan 0.000 0.432 306 E N 1.974 122.201 120.200 0.046 0.000 2.256 306 E HA 0.448 4.984 4.350 0.311 0.000 0.267 306 E C -1.281 175.373 176.600 0.090 0.000 0.892 306 E CA -0.545 55.889 56.400 0.058 0.000 0.775 306 E CB 2.325 32.065 29.700 0.068 0.000 1.207 306 E HN 0.707 nan 8.360 nan 0.000 0.420 307 C N 3.343 122.694 119.300 0.085 0.000 2.307 307 C HA 0.317 4.964 4.460 0.311 0.000 0.340 307 C C 1.356 176.460 174.990 0.190 0.000 1.275 307 C CA -0.322 58.762 59.018 0.110 0.000 1.811 307 C CB -0.435 27.331 27.740 0.043 0.000 2.372 307 C HN 0.699 nan 8.230 nan 0.000 0.531 308 V N 5.386 125.449 119.914 0.248 0.000 2.492 308 V HA 0.372 4.678 4.120 0.311 0.000 0.241 308 V C 1.422 177.699 176.094 0.304 0.000 1.041 308 V CA 1.430 63.916 62.300 0.311 0.000 1.057 308 V CB -0.429 31.567 31.823 0.289 0.000 0.711 308 V HN 1.044 nan 8.190 nan 0.000 0.468 309 G N -0.139 108.816 108.800 0.259 0.000 2.677 309 G HA2 0.483 4.629 3.960 0.311 0.000 0.291 309 G HA3 0.483 4.629 3.960 0.311 0.000 0.291 309 G C -0.882 174.159 174.900 0.234 0.000 1.435 309 G CA 0.431 45.701 45.100 0.284 0.000 0.826 309 G HN 0.152 nan 8.290 nan 0.000 0.491 310 D N -1.532 119.026 120.400 0.262 0.000 2.469 310 D HA 0.172 4.998 4.640 0.311 0.000 0.213 310 D C 0.422 176.782 176.300 0.100 0.000 1.135 310 D CA 0.238 54.313 54.000 0.125 0.000 0.834 310 D CB 1.369 42.190 40.800 0.034 0.000 1.009 310 D HN 0.358 nan 8.370 nan 0.000 0.507 311 D N -0.566 119.909 120.400 0.124 0.000 2.135 311 D HA 0.294 5.121 4.640 0.311 0.000 0.318 311 D C -0.374 176.018 176.300 0.154 0.000 1.109 311 D CA 0.158 54.236 54.000 0.129 0.000 0.952 311 D CB 1.175 42.069 40.800 0.156 0.000 1.816 311 D HN 0.059 nan 8.370 nan 0.000 0.528 312 I N 1.129 121.764 120.570 0.107 0.000 2.582 312 I HA 0.685 5.042 4.170 0.311 0.000 0.292 312 I C -1.171 175.000 176.117 0.091 0.000 1.066 312 I CA -1.039 60.326 61.300 0.108 0.000 1.053 312 I CB 2.307 40.322 38.000 0.024 0.000 1.241 312 I HN 0.030 nan 8.210 nan 0.000 0.421 313 A N 5.524 128.468 122.820 0.207 0.000 2.356 313 A HA 0.763 5.270 4.320 0.311 0.000 0.310 313 A C -1.993 175.889 177.584 0.496 0.000 1.075 313 A CA -0.364 51.813 52.037 0.234 0.000 0.746 313 A CB 0.940 20.071 19.000 0.218 0.000 1.221 313 A HN 0.595 nan 8.150 nan 0.000 0.443 314 W N 2.129 123.524 121.300 0.159 0.000 2.417 314 W HA 0.699 5.493 4.660 0.223 0.000 0.315 314 W C -0.318 176.280 176.519 0.131 0.000 1.045 314 W CA -1.096 56.393 57.345 0.240 0.000 1.221 314 W CB 1.223 30.774 29.460 0.152 0.000 1.309 314 W HN 0.508 nan 8.180 nan 0.000 0.453 315 M N 3.465 123.288 119.600 0.371 0.000 2.395 315 M HA 0.455 5.122 4.480 0.311 0.000 0.307 315 M C -0.447 175.887 176.300 0.058 0.000 1.091 315 M CA -0.801 54.570 55.300 0.117 0.000 0.919 315 M CB 3.100 35.717 32.600 0.029 0.000 1.662 315 M HN 0.272 nan 8.290 nan 0.000 0.440 316 K N 2.179 122.534 120.400 -0.076 0.000 2.525 316 K HA 0.521 5.028 4.320 0.311 0.000 0.254 316 K C -1.631 174.862 176.600 -0.179 0.000 0.934 316 K CA -0.590 55.651 56.287 -0.077 0.000 0.802 316 K CB 1.912 34.412 32.500 -0.000 0.000 1.295 316 K HN 0.460 nan 8.250 nan 0.000 0.433 317 F N 3.296 123.237 119.950 -0.014 0.000 2.578 317 F HA -0.007 4.710 4.527 0.315 0.000 0.376 317 F C 1.127 176.907 175.800 -0.032 0.000 1.085 317 F CA 0.355 58.331 58.000 -0.040 0.000 1.260 317 F CB 0.263 39.221 39.000 -0.069 0.000 1.095 317 F HN 0.567 nan 8.300 nan 0.000 0.573 318 D N 1.756 122.241 120.400 0.142 0.000 2.451 318 D HA 0.370 5.196 4.640 0.311 0.000 0.259 318 D C 1.018 177.357 176.300 0.066 0.000 1.201 318 D CA -0.341 53.701 54.000 0.069 0.000 1.028 318 D CB 0.273 41.088 40.800 0.025 0.000 1.095 318 D HN 0.458 nan 8.370 nan 0.000 0.539 319 A N -0.572 122.266 122.820 0.029 0.000 2.131 319 A HA -0.195 4.312 4.320 0.311 0.000 0.220 319 A C 1.532 179.120 177.584 0.006 0.000 1.158 319 A CA 1.475 53.520 52.037 0.013 0.000 0.665 319 A CB -0.686 18.316 19.000 0.002 0.000 0.795 319 A HN 0.568 nan 8.150 nan 0.000 0.460 320 Q N -2.161 117.649 119.800 0.016 0.000 2.194 320 Q HA 0.335 4.862 4.340 0.311 0.000 0.214 320 Q C 0.922 176.929 176.000 0.011 0.000 0.838 320 Q CA 0.733 56.540 55.803 0.006 0.000 0.972 320 Q CB -0.205 28.537 28.738 0.006 0.000 1.131 320 Q HN 1.120 nan 8.270 nan 0.000 0.498 321 G N 1.590 110.415 108.800 0.041 0.000 2.175 321 G HA2 -0.214 3.932 3.960 0.311 0.000 0.244 321 G HA3 -0.214 3.932 3.960 0.311 0.000 0.244 321 G C -0.175 174.856 174.900 0.217 0.000 0.982 321 G CA -0.195 44.936 45.100 0.052 0.000 0.641 321 G HN 0.332 nan 8.290 nan 0.000 0.527 322 N N 0.344 119.146 118.700 0.170 0.000 2.513 322 N HA 0.301 5.227 4.740 0.311 0.000 0.268 322 N C 0.082 175.677 175.510 0.141 0.000 1.180 322 N CA -0.242 52.897 53.050 0.147 0.000 0.948 322 N CB 1.510 40.033 38.487 0.061 0.000 1.083 322 N HN 0.241 nan 8.380 nan 0.000 0.455 323 L N 4.124 125.355 121.223 0.013 0.000 2.407 323 L HA 0.107 4.633 4.340 0.311 0.000 0.282 323 L C 0.181 176.945 176.870 -0.176 0.000 1.110 323 L CA 0.132 54.764 54.840 -0.348 0.000 0.863 323 L CB -0.242 41.556 42.059 -0.435 0.000 1.207 323 L HN 0.233 nan 8.230 nan 0.000 0.454 324 R N 4.488 124.890 120.500 -0.163 0.000 2.297 324 R HA 0.717 5.243 4.340 0.311 0.000 0.308 324 R C -0.584 175.662 176.300 -0.090 0.000 1.029 324 R CA -0.346 55.689 56.100 -0.108 0.000 0.929 324 R CB 1.349 31.597 30.300 -0.086 0.000 1.046 324 R HN 0.706 nan 8.270 nan 0.000 0.461 325 A N 4.091 126.865 122.820 -0.077 0.000 2.371 325 A HA 0.698 5.205 4.320 0.311 0.000 0.311 325 A C -0.173 177.389 177.584 -0.038 0.000 1.068 325 A CA -0.864 51.161 52.037 -0.019 0.000 0.744 325 A CB 0.969 19.977 19.000 0.013 0.000 1.239 325 A HN 0.769 nan 8.150 nan 0.000 0.435 326 I N -0.505 120.066 120.570 0.001 0.000 2.693 326 I HA 0.600 4.957 4.170 0.311 0.000 0.303 326 I C -0.377 175.706 176.117 -0.056 0.000 1.025 326 I CA -0.988 60.281 61.300 -0.051 0.000 1.086 326 I CB 2.065 40.005 38.000 -0.100 0.000 1.268 326 I HN 0.494 nan 8.210 nan 0.000 0.440 327 N N 6.032 124.700 118.700 -0.052 0.000 2.408 327 N HA 0.338 5.264 4.740 0.311 0.000 0.257 327 N C -1.761 173.603 175.510 -0.242 0.000 1.064 327 N CA -2.505 50.503 53.050 -0.070 0.000 0.952 327 N CB 0.974 39.519 38.487 0.098 0.000 1.093 327 N HN 0.475 nan 8.380 nan 0.000 0.490 328 P HA 0.013 nan 4.420 nan 0.000 0.241 328 P C -0.475 176.562 177.300 -0.438 0.000 1.191 328 P CA 0.671 63.333 63.100 -0.730 0.000 0.771 328 P CB 0.457 31.171 31.700 -1.645 0.000 0.929 329 E N -0.036 120.007 120.200 -0.261 0.000 2.312 329 E HA 0.165 4.701 4.350 0.311 0.000 0.259 329 E C 0.256 176.822 176.600 -0.057 0.000 1.122 329 E CA -0.436 55.865 56.400 -0.166 0.000 0.922 329 E CB 0.384 30.007 29.700 -0.129 0.000 1.109 329 E HN -0.134 nan 8.360 nan 0.000 0.442 330 N N -0.830 117.829 118.700 -0.069 0.000 2.171 330 N HA 0.168 5.095 4.740 0.311 0.000 0.212 330 N C -0.593 174.822 175.510 -0.158 0.000 1.184 330 N CA 0.070 53.132 53.050 0.020 0.000 0.888 330 N CB 1.147 39.624 38.487 -0.017 0.000 1.038 330 N HN 0.500 nan 8.380 nan 0.000 0.517 331 G N -1.187 107.433 108.800 -0.301 0.000 2.682 331 G HA2 0.487 4.633 3.960 0.311 0.000 0.303 331 G HA3 0.487 4.633 3.960 0.311 0.000 0.303 331 G C -1.835 172.758 174.900 -0.511 0.000 1.341 331 G CA -0.607 44.206 45.100 -0.478 0.000 0.784 331 G HN -0.016 nan 8.290 nan 0.000 0.497 332 F N -0.106 119.871 119.950 0.045 0.000 2.467 332 F HA 0.569 5.280 4.527 0.307 0.000 0.336 332 F C -0.659 175.207 175.800 0.109 0.000 1.123 332 F CA -1.172 56.881 58.000 0.088 0.000 0.964 332 F CB 2.210 41.308 39.000 0.162 0.000 1.136 332 F HN 0.288 nan 8.300 nan 0.000 0.447 333 F N 3.069 123.035 119.950 0.027 0.000 2.334 333 F HA 0.667 5.390 4.527 0.328 0.000 0.343 333 F C 0.358 175.955 175.800 -0.338 0.000 1.136 333 F CA -0.922 56.981 58.000 -0.160 0.000 1.237 333 F CB -0.011 38.914 39.000 -0.125 0.000 1.525 333 F HN 0.476 nan 8.300 nan 0.000 0.528 334 G N 2.491 110.679 108.800 -1.020 0.000 2.389 334 G HA2 0.467 4.614 3.960 0.311 0.000 0.317 334 G HA3 0.467 4.614 3.960 0.311 0.000 0.317 334 G C -0.902 173.219 174.900 -1.298 0.000 1.137 334 G CA -0.642 43.726 45.100 -1.220 0.000 0.870 334 G HN 0.240 nan 8.290 nan 0.000 0.496 335 V N 1.638 121.145 119.914 -0.679 0.000 2.599 335 V HA 0.235 4.542 4.120 0.311 0.000 0.300 335 V C 1.456 177.238 176.094 -0.520 0.000 1.034 335 V CA 0.755 62.756 62.300 -0.499 0.000 1.115 335 V CB 0.886 32.553 31.823 -0.260 0.000 0.934 335 V HN 0.988 nan 8.190 nan 0.000 0.485 336 A N 7.593 130.072 122.820 -0.569 0.000 1.861 336 A HA 0.223 4.729 4.320 0.311 0.000 0.212 336 A C -1.422 175.454 177.584 -1.180 0.000 1.199 336 A CA 0.532 52.039 52.037 -0.883 0.000 0.613 336 A CB -1.015 17.443 19.000 -0.904 0.000 0.846 336 A HN 0.722 nan 8.150 nan 0.000 0.446 337 P HA 0.288 nan 4.420 nan 0.000 0.267 337 P C 0.870 178.049 177.300 -0.203 0.000 1.200 337 P CA 1.673 64.528 63.100 -0.407 0.000 0.772 337 P CB 0.510 32.110 31.700 -0.166 0.000 0.855 338 G N 1.178 109.987 108.800 0.014 0.000 2.234 338 G HA2 -0.236 3.910 3.960 0.311 0.000 0.260 338 G HA3 -0.236 3.910 3.960 0.311 0.000 0.260 338 G C 0.242 175.180 174.900 0.064 0.000 0.987 338 G CA 0.305 45.437 45.100 0.054 0.000 0.625 338 G HN 0.610 nan 8.290 nan 0.000 0.532 339 T N 1.819 116.412 114.554 0.064 0.000 2.761 339 T HA 0.576 5.112 4.350 0.311 0.000 0.296 339 T C 0.413 175.289 174.700 0.293 0.000 0.934 339 T CA 0.722 62.910 62.100 0.148 0.000 1.091 339 T CB 1.319 70.255 68.868 0.113 0.000 0.896 339 T HN 1.377 nan 8.240 nan 0.000 0.515 340 S N 1.600 117.354 115.700 0.091 0.000 2.671 340 S HA 0.424 5.081 4.470 0.311 0.000 0.277 340 S C 0.964 175.537 174.600 -0.045 0.000 1.165 340 S CA -0.884 57.327 58.200 0.019 0.000 0.822 340 S CB 0.921 64.092 63.200 -0.049 0.000 1.150 340 S HN 0.189 nan 8.310 nan 0.000 0.479 341 V N 1.804 121.681 119.914 -0.061 0.000 2.594 341 V HA -0.139 4.167 4.120 0.311 0.000 0.253 341 V C 2.370 178.399 176.094 -0.108 0.000 1.069 341 V CA 2.009 64.266 62.300 -0.072 0.000 1.082 341 V CB -1.045 30.741 31.823 -0.061 0.000 0.680 341 V HN 0.833 nan 8.190 nan 0.000 0.469 342 K N 0.335 120.642 120.400 -0.154 0.000 2.116 342 K HA -0.083 4.424 4.320 0.311 0.000 0.203 342 K C 2.209 178.596 176.600 -0.355 0.000 1.052 342 K CA 1.766 57.914 56.287 -0.231 0.000 0.952 342 K CB -0.267 32.078 32.500 -0.259 0.000 0.729 342 K HN 0.687 nan 8.250 nan 0.000 0.446 343 T N -2.219 112.099 114.554 -0.394 0.000 3.040 343 T HA 0.051 4.588 4.350 0.311 0.000 0.252 343 T C 0.753 175.386 174.700 -0.112 0.000 1.064 343 T CA 0.204 61.984 62.100 -0.534 0.000 1.110 343 T CB 0.201 68.731 68.868 -0.563 0.000 0.921 343 T HN -0.075 nan 8.240 nan 0.000 0.480 344 N N 1.303 119.957 118.700 -0.077 0.000 2.805 344 N HA 0.243 5.170 4.740 0.311 0.000 0.216 344 N C -2.600 172.884 175.510 -0.045 0.000 1.447 344 N CA -1.413 51.622 53.050 -0.025 0.000 0.785 344 N CB 1.504 40.000 38.487 0.014 0.000 1.458 344 N HN 0.007 nan 8.380 nan 0.000 0.547 345 P HA -0.082 nan 4.420 nan 0.000 0.218 345 P C 0.787 178.052 177.300 -0.058 0.000 1.148 345 P CA 1.026 64.093 63.100 -0.054 0.000 0.822 345 P CB 0.540 32.209 31.700 -0.052 0.000 0.784 346 N N 0.250 118.912 118.700 -0.062 0.000 2.244 346 N HA -0.076 4.850 4.740 0.311 0.000 0.183 346 N C 1.905 177.347 175.510 -0.113 0.000 1.016 346 N CA 1.343 54.347 53.050 -0.076 0.000 0.866 346 N CB -0.695 37.749 38.487 -0.072 0.000 0.980 346 N HN 0.125 nan 8.380 nan 0.000 0.430 347 A N 1.906 124.645 122.820 -0.135 0.000 1.902 347 A HA -0.081 4.426 4.320 0.311 0.000 0.217 347 A C 2.143 179.590 177.584 -0.228 0.000 1.181 347 A CA 0.793 52.696 52.037 -0.223 0.000 0.623 347 A CB -0.418 18.467 19.000 -0.192 0.000 0.818 347 A HN 0.081 nan 8.150 nan 0.000 0.443 348 I N 0.228 120.725 120.570 -0.122 0.000 2.194 348 I HA -0.282 4.075 4.170 0.311 0.000 0.246 348 I C 2.257 178.316 176.117 -0.097 0.000 1.093 348 I CA 1.861 63.114 61.300 -0.079 0.000 1.355 348 I CB -1.261 36.716 38.000 -0.039 0.000 1.046 348 I HN 0.402 nan 8.210 nan 0.000 0.413 349 K N 0.135 120.484 120.400 -0.086 0.000 2.026 349 K HA -0.132 4.374 4.320 0.311 0.000 0.208 349 K C 2.071 178.623 176.600 -0.080 0.000 1.048 349 K CA 1.905 58.151 56.287 -0.068 0.000 0.929 349 K CB -0.333 32.136 32.500 -0.051 0.000 0.713 349 K HN 0.311 nan 8.250 nan 0.000 0.439 350 T N 2.222 116.711 114.554 -0.107 0.000 2.746 350 T HA -0.094 4.442 4.350 0.311 0.000 0.267 350 T C 1.791 176.419 174.700 -0.119 0.000 1.039 350 T CA 1.393 63.436 62.100 -0.095 0.000 1.142 350 T CB -0.239 68.573 68.868 -0.094 0.000 0.866 350 T HN 0.393 nan 8.240 nan 0.000 0.444 351 I N -0.669 119.780 120.570 -0.201 0.000 3.735 351 I HA 0.202 4.559 4.170 0.311 0.000 0.310 351 I C 1.432 177.500 176.117 -0.081 0.000 1.270 351 I CA 0.441 61.615 61.300 -0.209 0.000 1.207 351 I CB -0.414 37.352 38.000 -0.390 0.000 1.013 351 I HN 0.125 nan 8.210 nan 0.000 0.452 352 Q N 2.494 122.223 119.800 -0.118 0.000 2.320 352 Q HA 0.182 4.708 4.340 0.311 0.000 0.201 352 Q C -0.224 175.773 176.000 -0.005 0.000 0.910 352 Q CA 0.150 55.843 55.803 -0.183 0.000 0.946 352 Q CB 0.365 29.005 28.738 -0.162 0.000 1.062 352 Q HN 0.673 nan 8.270 nan 0.000 0.503 353 K N -0.923 119.497 120.400 0.033 0.000 2.532 353 K HA 0.321 4.828 4.320 0.311 0.000 0.265 353 K C -0.638 176.028 176.600 0.110 0.000 0.948 353 K CA -0.936 55.406 56.287 0.093 0.000 0.842 353 K CB 1.069 33.617 32.500 0.080 0.000 1.392 353 K HN -0.205 nan 8.250 nan 0.000 0.436 354 N N 0.153 118.958 118.700 0.175 0.000 2.721 354 N HA -0.135 4.791 4.740 0.311 0.000 0.249 354 N C -1.246 174.391 175.510 0.212 0.000 1.072 354 N CA 1.484 54.672 53.050 0.231 0.000 0.710 354 N CB -1.264 37.327 38.487 0.174 0.000 0.993 354 N HN 0.792 nan 8.380 nan 0.000 0.547 355 T N 0.735 115.417 114.554 0.214 0.000 2.861 355 T HA 0.643 5.180 4.350 0.311 0.000 0.287 355 T C 0.586 175.378 174.700 0.154 0.000 1.003 355 T CA -0.479 61.664 62.100 0.073 0.000 0.977 355 T CB 1.998 70.780 68.868 -0.143 0.000 0.996 355 T HN 0.063 nan 8.240 nan 0.000 0.448 356 I N 3.219 123.836 120.570 0.078 0.000 2.354 356 I HA 0.453 4.810 4.170 0.311 0.000 0.292 356 I C -0.864 175.288 176.117 0.059 0.000 0.989 356 I CA -0.662 60.768 61.300 0.216 0.000 1.188 356 I CB 0.921 39.037 38.000 0.194 0.000 1.342 356 I HN 0.504 nan 8.210 nan 0.000 0.457 357 F N 3.268 123.406 119.950 0.314 0.000 2.450 357 F HA 0.494 5.210 4.527 0.315 0.000 0.332 357 F C 0.412 176.372 175.800 0.267 0.000 1.093 357 F CA -0.513 57.650 58.000 0.272 0.000 1.003 357 F CB 2.041 41.215 39.000 0.290 0.000 1.151 357 F HN 0.241 nan 8.300 nan 0.000 0.474 358 T N 2.722 117.491 114.554 0.359 0.000 2.841 358 T HA 0.256 4.792 4.350 0.311 0.000 0.285 358 T C -0.358 174.427 174.700 0.142 0.000 0.991 358 T CA -0.802 61.451 62.100 0.255 0.000 0.966 358 T CB 0.881 69.909 68.868 0.266 0.000 0.962 358 T HN 0.622 nan 8.240 nan 0.000 0.438 359 N N 0.238 119.024 118.700 0.144 0.000 2.776 359 N HA -0.137 4.790 4.740 0.311 0.000 0.250 359 N C 0.061 175.645 175.510 0.123 0.000 1.112 359 N CA 1.084 54.212 53.050 0.129 0.000 0.733 359 N CB -1.785 36.609 38.487 -0.155 0.000 1.097 359 N HN 0.691 nan 8.380 nan 0.000 0.558 360 V N -3.129 116.919 119.914 0.224 0.000 3.109 360 V HA 0.933 5.240 4.120 0.311 0.000 0.317 360 V C 0.879 177.118 176.094 0.241 0.000 1.074 360 V CA -0.445 62.010 62.300 0.258 0.000 1.033 360 V CB 1.741 33.812 31.823 0.412 0.000 1.111 360 V HN 0.273 nan 8.190 nan 0.000 0.458 361 A N 1.049 123.981 122.820 0.185 0.000 2.286 361 A HA 0.630 5.137 4.320 0.311 0.000 0.286 361 A C 0.009 177.638 177.584 0.076 0.000 1.097 361 A CA -0.462 51.637 52.037 0.103 0.000 0.821 361 A CB 0.569 19.565 19.000 -0.006 0.000 1.076 361 A HN 1.057 nan 8.150 nan 0.000 0.490 362 E N 0.267 120.493 120.200 0.043 0.000 2.199 362 E HA 0.471 5.007 4.350 0.311 0.000 0.269 362 E C -0.257 176.324 176.600 -0.032 0.000 0.899 362 E CA -0.536 55.868 56.400 0.006 0.000 0.772 362 E CB 1.314 31.026 29.700 0.019 0.000 1.155 362 E HN 0.788 nan 8.360 nan 0.000 0.408 363 T N 0.511 115.019 114.554 -0.076 0.000 2.874 363 T HA 0.126 4.663 4.350 0.311 0.000 0.281 363 T C 1.265 175.906 174.700 -0.099 0.000 0.994 363 T CA -0.082 61.948 62.100 -0.118 0.000 1.015 363 T CB 1.405 70.171 68.868 -0.170 0.000 1.028 363 T HN 0.432 nan 8.240 nan 0.000 0.523 364 S N -0.003 115.640 115.700 -0.094 0.000 2.474 364 S HA -0.094 4.562 4.470 0.311 0.000 0.235 364 S C 1.091 175.637 174.600 -0.091 0.000 0.997 364 S CA 0.658 58.812 58.200 -0.076 0.000 0.949 364 S CB -0.585 62.577 63.200 -0.062 0.000 0.766 364 S HN 0.911 nan 8.310 nan 0.000 0.517 365 D N 0.458 120.787 120.400 -0.118 0.000 2.358 365 D HA 0.281 5.108 4.640 0.311 0.000 0.224 365 D C 1.182 177.369 176.300 -0.187 0.000 1.123 365 D CA 0.289 54.208 54.000 -0.136 0.000 0.833 365 D CB -0.606 40.114 40.800 -0.133 0.000 0.946 365 D HN 0.493 nan 8.370 nan 0.000 0.505 366 G N -0.777 107.916 108.800 -0.179 0.000 2.137 366 G HA2 -0.111 4.036 3.960 0.311 0.000 0.237 366 G HA3 -0.111 4.036 3.960 0.311 0.000 0.237 366 G C 0.528 175.227 174.900 -0.336 0.000 1.002 366 G CA -0.082 44.891 45.100 -0.212 0.000 0.702 366 G HN 0.792 nan 8.290 nan 0.000 0.515 367 G N -1.531 107.081 108.800 -0.314 0.000 2.613 367 G HA2 0.891 5.038 3.960 0.311 0.000 0.303 367 G HA3 0.891 5.038 3.960 0.311 0.000 0.303 367 G C 0.213 175.076 174.900 -0.060 0.000 1.312 367 G CA 0.131 45.044 45.100 -0.311 0.000 1.036 367 G HN 1.552 nan 8.290 nan 0.000 0.513 368 V N -2.919 117.017 119.914 0.037 0.000 2.769 368 V HA 0.850 5.157 4.120 0.311 0.000 0.312 368 V C -1.149 174.825 176.094 -0.199 0.000 1.058 368 V CA -1.131 61.083 62.300 -0.143 0.000 0.952 368 V CB 1.531 33.103 31.823 -0.419 0.000 1.019 368 V HN 0.671 nan 8.190 nan 0.000 0.445 369 Y N 2.619 122.694 120.300 -0.376 0.000 2.571 369 Y HA 0.815 5.552 4.550 0.312 0.000 0.341 369 Y C -1.341 174.424 175.900 -0.225 0.000 1.076 369 Y CA -0.946 56.864 58.100 -0.484 0.000 1.029 369 Y CB 2.300 40.590 38.460 -0.282 0.000 1.308 369 Y HN 1.107 nan 8.280 nan 0.000 0.461 370 W N 0.979 122.091 121.300 -0.313 0.000 3.161 370 W HA 0.602 5.452 4.660 0.317 0.000 0.314 370 W C -1.509 174.842 176.519 -0.280 0.000 1.245 370 W CA -1.114 56.090 57.345 -0.235 0.000 1.191 370 W CB 0.157 29.530 29.460 -0.146 0.000 1.392 370 W HN 0.353 nan 8.180 nan 0.000 0.568 371 E N 1.104 121.375 120.200 0.117 0.000 2.502 371 E HA 0.366 4.902 4.350 0.311 0.000 0.261 371 E C 1.262 177.962 176.600 0.166 0.000 0.974 371 E CA 2.479 58.937 56.400 0.097 0.000 0.936 371 E CB 0.204 29.954 29.700 0.084 0.000 0.926 371 E HN 1.217 nan 8.360 nan 0.000 0.459 372 G N 2.805 111.655 108.800 0.084 0.000 2.168 372 G HA2 -0.351 3.796 3.960 0.311 0.000 0.263 372 G HA3 -0.351 3.796 3.960 0.311 0.000 0.263 372 G C 0.877 175.821 174.900 0.073 0.000 0.977 372 G CA 0.408 45.557 45.100 0.082 0.000 0.659 372 G HN 0.619 nan 8.290 nan 0.000 0.533 373 I N 0.065 120.596 120.570 -0.065 0.000 2.493 373 I HA 0.026 4.383 4.170 0.311 0.000 0.254 373 I C 1.382 177.377 176.117 -0.204 0.000 1.160 373 I CA 1.659 62.802 61.300 -0.260 0.000 1.445 373 I CB -0.004 37.383 38.000 -1.022 0.000 1.086 373 I HN 0.279 nan 8.210 nan 0.000 0.433 374 D N 2.166 122.465 120.400 -0.167 0.000 2.723 374 D HA -0.245 4.582 4.640 0.311 0.000 0.236 374 D C -0.196 176.061 176.300 -0.073 0.000 1.138 374 D CA 1.252 55.201 54.000 -0.085 0.000 0.676 374 D CB -0.785 39.973 40.800 -0.070 0.000 1.069 374 D HN 0.814 nan 8.370 nan 0.000 0.430 375 E N -0.802 119.356 120.200 -0.071 0.000 2.321 375 E HA 0.588 5.125 4.350 0.311 0.000 0.281 375 E C -2.895 173.760 176.600 0.091 0.000 0.910 375 E CA -1.656 54.738 56.400 -0.010 0.000 0.770 375 E CB 1.861 31.538 29.700 -0.039 0.000 1.225 375 E HN -0.029 nan 8.360 nan 0.000 0.417 376 P HA 0.170 nan 4.420 nan 0.000 0.272 376 P C -0.509 176.825 177.300 0.057 0.000 1.223 376 P CA -0.329 62.819 63.100 0.080 0.000 0.784 376 P CB 0.956 32.676 31.700 0.032 0.000 0.923 377 L N 1.124 122.349 121.223 0.003 0.000 2.360 377 L HA 0.529 5.055 4.340 0.311 0.000 0.271 377 L C 0.980 177.817 176.870 -0.054 0.000 1.057 377 L CA -1.146 53.652 54.840 -0.070 0.000 0.803 377 L CB 1.031 42.971 42.059 -0.199 0.000 1.207 377 L HN 0.430 nan 8.230 nan 0.000 0.445 378 A N 3.014 125.800 122.820 -0.057 0.000 2.445 378 A HA 0.404 4.910 4.320 0.311 0.000 0.242 378 A C -2.233 175.321 177.584 -0.051 0.000 1.075 378 A CA -0.965 51.044 52.037 -0.046 0.000 0.777 378 A CB -0.655 18.318 19.000 -0.046 0.000 1.013 378 A HN 0.461 nan 8.150 nan 0.000 0.493 379 P HA 0.244 nan 4.420 nan 0.000 0.265 379 P C 1.116 178.389 177.300 -0.045 0.000 1.187 379 P CA 1.761 64.837 63.100 -0.040 0.000 0.766 379 P CB 0.546 32.227 31.700 -0.032 0.000 0.820 380 G N 0.941 109.713 108.800 -0.047 0.000 2.299 380 G HA2 -0.242 3.904 3.960 0.311 0.000 0.237 380 G HA3 -0.242 3.904 3.960 0.311 0.000 0.237 380 G C 0.093 174.958 174.900 -0.057 0.000 1.027 380 G CA -0.035 45.037 45.100 -0.047 0.000 0.619 380 G HN 0.566 nan 8.290 nan 0.000 0.513 381 V N 3.324 123.195 119.914 -0.071 0.000 2.529 381 V HA 0.498 4.805 4.120 0.311 0.000 0.292 381 V C 1.144 177.179 176.094 -0.098 0.000 1.028 381 V CA 0.858 63.103 62.300 -0.092 0.000 1.074 381 V CB 0.732 32.485 31.823 -0.116 0.000 0.958 381 V HN 0.888 nan 8.190 nan 0.000 0.481 382 T N 3.396 117.900 114.554 -0.083 0.000 2.938 382 T HA 0.827 5.364 4.350 0.311 0.000 0.285 382 T C -0.619 174.047 174.700 -0.058 0.000 1.028 382 T CA -0.836 61.228 62.100 -0.059 0.000 1.005 382 T CB 1.872 70.723 68.868 -0.029 0.000 1.157 382 T HN 0.302 nan 8.240 nan 0.000 0.550 383 I N 0.876 121.454 120.570 0.012 0.000 2.498 383 I HA 0.374 4.731 4.170 0.311 0.000 0.290 383 I C -0.373 175.814 176.117 0.116 0.000 1.032 383 I CA -0.829 60.504 61.300 0.054 0.000 1.073 383 I CB 2.487 40.576 38.000 0.149 0.000 1.251 383 I HN 0.655 nan 8.210 nan 0.000 0.426 384 T N 4.004 118.599 114.554 0.067 0.000 2.749 384 T HA 0.285 4.822 4.350 0.311 0.000 0.287 384 T C 0.273 175.008 174.700 0.059 0.000 0.970 384 T CA -0.591 61.553 62.100 0.074 0.000 0.980 384 T CB 1.121 70.014 68.868 0.042 0.000 0.924 384 T HN 0.746 nan 8.240 nan 0.000 0.456 385 S N 3.905 119.644 115.700 0.066 0.000 2.608 385 S HA 0.090 4.746 4.470 0.311 0.000 0.261 385 S C 1.551 176.184 174.600 0.053 0.000 1.314 385 S CA -0.901 57.295 58.200 -0.007 0.000 0.992 385 S CB 0.330 63.519 63.200 -0.019 0.000 0.935 385 S HN 0.920 nan 8.310 nan 0.000 0.564 386 W N 0.983 122.254 121.300 -0.048 0.000 2.538 386 W HA 0.040 4.888 4.660 0.314 0.000 0.254 386 W C 0.420 176.941 176.519 0.002 0.000 1.249 386 W CA 0.598 57.939 57.345 -0.006 0.000 1.253 386 W CB -0.727 28.737 29.460 0.006 0.000 1.130 386 W HN 0.654 nan 8.180 nan 0.000 0.618 387 K N 1.074 121.083 120.400 -0.651 0.000 2.410 387 K HA -0.042 4.465 4.320 0.311 0.000 0.200 387 K C 0.253 176.686 176.600 -0.278 0.000 1.023 387 K CA 0.097 55.978 56.287 -0.675 0.000 1.149 387 K CB -0.429 31.636 32.500 -0.725 0.000 0.859 387 K HN -0.090 nan 8.250 nan 0.000 0.514 388 N N 1.764 120.381 118.700 -0.139 0.000 2.758 388 N HA -0.179 4.748 4.740 0.311 0.000 0.248 388 N C -1.631 173.860 175.510 -0.033 0.000 1.076 388 N CA 0.974 53.994 53.050 -0.051 0.000 0.696 388 N CB -0.697 37.767 38.487 -0.038 0.000 0.979 388 N HN 0.204 nan 8.380 nan 0.000 0.550 389 K N -0.144 120.247 120.400 -0.014 0.000 2.477 389 K HA 0.330 4.837 4.320 0.311 0.000 0.255 389 K C -0.556 176.093 176.600 0.082 0.000 0.952 389 K CA -0.976 55.325 56.287 0.022 0.000 0.826 389 K CB 1.225 33.733 32.500 0.013 0.000 1.331 389 K HN -0.005 nan 8.250 nan 0.000 0.437 390 E N 0.878 121.124 120.200 0.077 0.000 2.413 390 E HA -0.001 4.536 4.350 0.311 0.000 0.263 390 E C -1.101 175.614 176.600 0.192 0.000 1.015 390 E CA 0.437 56.901 56.400 0.107 0.000 0.916 390 E CB 0.598 30.329 29.700 0.051 0.000 0.947 390 E HN 0.442 nan 8.360 nan 0.000 0.440 391 W N 2.483 123.779 121.300 -0.007 0.000 3.138 391 W HA 0.348 5.196 4.660 0.314 0.000 0.331 391 W C -0.775 175.744 176.519 0.001 0.000 1.166 391 W CA -0.527 56.824 57.345 0.010 0.000 1.212 391 W CB 1.171 30.656 29.460 0.041 0.000 1.399 391 W HN 0.314 nan 8.180 nan 0.000 0.514 392 R N 4.661 124.707 120.500 -0.756 0.000 2.740 392 R HA 0.337 4.863 4.340 0.311 0.000 0.282 392 R C -1.968 173.475 176.300 -1.428 0.000 0.969 392 R CA -1.768 53.893 56.100 -0.731 0.000 0.918 392 R CB 1.934 31.985 30.300 -0.415 0.000 1.175 392 R HN 0.173 nan 8.270 nan 0.000 0.464 393 P HA -0.141 nan 4.420 nan 0.000 0.224 393 P C -0.097 176.982 177.300 -0.370 0.000 1.142 393 P CA 1.247 64.047 63.100 -0.500 0.000 0.778 393 P CB 0.309 31.970 31.700 -0.065 0.000 0.764 394 Q N -0.700 118.853 119.800 -0.411 0.000 2.470 394 Q HA 0.163 4.690 4.340 0.311 0.000 0.389 394 Q C -0.676 175.172 176.000 -0.254 0.000 0.888 394 Q CA -0.146 55.516 55.803 -0.236 0.000 1.106 394 Q CB 0.290 28.948 28.738 -0.133 0.000 1.368 394 Q HN 0.138 nan 8.270 nan 0.000 0.403 395 D N -0.040 120.136 120.400 -0.374 0.000 2.340 395 D HA 0.027 4.854 4.640 0.311 0.000 0.251 395 D C 0.639 176.915 176.300 -0.040 0.000 1.080 395 D CA -0.249 53.618 54.000 -0.222 0.000 0.971 395 D CB 1.407 42.017 40.800 -0.317 0.000 1.137 395 D HN 0.243 nan 8.370 nan 0.000 0.475 396 E N 0.285 120.498 120.200 0.022 0.000 2.150 396 E HA -0.127 4.410 4.350 0.311 0.000 0.193 396 E C 0.033 176.721 176.600 0.148 0.000 0.985 396 E CA 0.859 57.300 56.400 0.070 0.000 0.814 396 E CB 0.341 30.073 29.700 0.054 0.000 0.752 396 E HN 0.522 nan 8.360 nan 0.000 0.466 397 E N 1.229 121.563 120.200 0.224 0.000 2.248 397 E HA 0.350 4.887 4.350 0.311 0.000 0.272 397 E C -2.411 174.472 176.600 0.473 0.000 1.008 397 E CA -2.401 54.176 56.400 0.294 0.000 0.856 397 E CB 0.994 30.847 29.700 0.256 0.000 1.120 397 E HN -0.140 nan 8.360 nan 0.000 0.397 398 P HA -0.073 nan 4.420 nan 0.000 0.269 398 P C 0.768 178.108 177.300 0.066 0.000 1.215 398 P CA -0.445 62.793 63.100 0.230 0.000 0.780 398 P CB 0.756 32.509 31.700 0.089 0.000 0.898 399 C N 0.291 119.315 119.300 -0.461 0.000 2.485 399 C HA 0.490 5.137 4.460 0.311 0.000 0.277 399 C C 1.101 176.022 174.990 -0.114 0.000 1.376 399 C CA 0.311 58.774 59.018 -0.925 0.000 1.759 399 C CB -1.266 25.389 27.740 -1.809 0.000 1.970 399 C HN 0.622 nan 8.230 nan 0.000 0.509 400 A N 0.191 122.975 122.820 -0.059 0.000 2.355 400 A HA 0.563 5.070 4.320 0.311 0.000 0.324 400 A C -0.348 176.964 177.584 -0.454 0.000 1.117 400 A CA -0.357 51.627 52.037 -0.088 0.000 0.785 400 A CB 0.089 19.105 19.000 0.027 0.000 1.254 400 A HN 0.586 nan 8.150 nan 0.000 0.453 401 H N 1.967 120.311 119.070 -1.210 0.000 2.972 401 H HA 0.052 4.795 4.556 0.311 0.000 0.343 401 H C -1.716 173.300 175.328 -0.521 0.000 1.054 401 H CA -0.585 54.775 56.048 -1.147 0.000 1.412 401 H CB 1.143 29.960 29.762 -1.575 0.000 1.385 401 H HN 0.265 nan 8.280 nan 0.000 0.600 402 P HA -0.123 nan 4.420 nan 0.000 0.218 402 P C 0.661 177.821 177.300 -0.232 0.000 1.148 402 P CA 1.549 64.402 63.100 -0.412 0.000 0.822 402 P CB 0.258 31.701 31.700 -0.428 0.000 0.784 403 N N -1.114 117.555 118.700 -0.051 0.000 2.273 403 N HA 0.025 4.951 4.740 0.311 0.000 0.231 403 N C -0.405 175.079 175.510 -0.044 0.000 1.134 403 N CA -0.236 52.821 53.050 0.012 0.000 0.856 403 N CB -0.160 38.366 38.487 0.065 0.000 1.068 403 N HN -0.062 nan 8.380 nan 0.000 0.510 404 S N -0.245 115.392 115.700 -0.105 0.000 2.573 404 S HA 0.313 4.969 4.470 0.311 0.000 0.277 404 S C 0.115 174.555 174.600 -0.266 0.000 1.346 404 S CA -0.360 57.736 58.200 -0.172 0.000 1.034 404 S CB 1.117 64.222 63.200 -0.159 0.000 0.879 404 S HN 0.154 nan 8.310 nan 0.000 0.528 405 R N 0.618 120.953 120.500 -0.275 0.000 2.771 405 R HA 0.504 5.031 4.340 0.311 0.000 0.274 405 R C -1.023 175.070 176.300 -0.346 0.000 0.987 405 R CA -0.656 55.105 56.100 -0.565 0.000 0.908 405 R CB 1.456 31.125 30.300 -1.051 0.000 1.213 405 R HN 0.778 nan 8.270 nan 0.000 0.468 406 F N -1.246 118.469 119.950 -0.392 0.000 2.483 406 F HA 0.689 5.406 4.527 0.317 0.000 0.329 406 F C -0.109 175.495 175.800 -0.326 0.000 1.064 406 F CA -1.426 56.293 58.000 -0.469 0.000 0.986 406 F CB 1.101 39.753 39.000 -0.580 0.000 1.218 406 F HN 0.316 nan 8.300 nan 0.000 0.484 407 C N 2.669 121.977 119.300 0.014 0.000 2.455 407 C HA 0.732 5.379 4.460 0.311 0.000 0.321 407 C C -0.646 174.398 174.990 0.089 0.000 1.102 407 C CA 0.085 59.188 59.018 0.143 0.000 1.413 407 C CB -0.168 27.683 27.740 0.185 0.000 1.952 407 C HN 1.083 nan 8.230 nan 0.000 0.428 408 T N 6.550 121.195 114.554 0.152 0.000 2.900 408 T HA 0.634 5.171 4.350 0.311 0.000 0.295 408 T C -2.972 171.718 174.700 -0.016 0.000 1.044 408 T CA -1.055 61.088 62.100 0.072 0.000 0.995 408 T CB 1.917 70.838 68.868 0.088 0.000 1.072 408 T HN 0.457 nan 8.240 nan 0.000 0.473 409 P HA 0.251 nan 4.420 nan 0.000 0.271 409 P C 0.098 177.221 177.300 -0.295 0.000 1.220 409 P CA -0.114 62.892 63.100 -0.157 0.000 0.768 409 P CB 0.592 32.240 31.700 -0.086 0.000 0.848 410 A N 3.564 126.021 122.820 -0.605 0.000 1.972 410 A HA -0.181 4.326 4.320 0.311 0.000 0.219 410 A C 2.115 179.274 177.584 -0.709 0.000 1.169 410 A CA 2.126 53.557 52.037 -1.010 0.000 0.635 410 A CB -1.504 16.618 19.000 -1.462 0.000 0.810 410 A HN 0.579 nan 8.150 nan 0.000 0.446 411 S N -0.652 114.782 115.700 -0.443 0.000 2.442 411 S HA -0.210 4.446 4.470 0.311 0.000 0.236 411 S C 1.680 176.210 174.600 -0.117 0.000 1.007 411 S CA 1.405 59.490 58.200 -0.191 0.000 0.965 411 S CB -0.416 62.831 63.200 0.079 0.000 0.773 411 S HN 0.695 nan 8.310 nan 0.000 0.504 412 Q N -0.218 119.521 119.800 -0.102 0.000 2.451 412 Q HA 0.207 4.734 4.340 0.311 0.000 0.206 412 Q C 0.506 176.487 176.000 -0.030 0.000 0.947 412 Q CA -0.072 55.705 55.803 -0.043 0.000 0.937 412 Q CB 0.040 28.764 28.738 -0.024 0.000 1.025 412 Q HN 0.649 nan 8.270 nan 0.000 0.511 413 C N 2.772 122.054 119.300 -0.030 0.000 2.629 413 C HA 0.113 4.760 4.460 0.311 0.000 0.410 413 C C -0.849 174.124 174.990 -0.029 0.000 1.339 413 C CA -1.718 57.304 59.018 0.008 0.000 1.810 413 C CB 0.480 28.279 27.740 0.097 0.000 2.549 413 C HN 0.374 nan 8.230 nan 0.000 0.589 414 P HA -0.084 nan 4.420 nan 0.000 0.225 414 P C 0.591 177.885 177.300 -0.011 0.000 1.148 414 P CA 1.485 64.575 63.100 -0.017 0.000 0.779 414 P CB -0.176 31.513 31.700 -0.019 0.000 0.780 415 I N -4.739 115.821 120.570 -0.017 0.000 3.856 415 I HA 0.340 4.696 4.170 0.311 0.000 0.330 415 I C 0.402 176.521 176.117 0.002 0.000 1.546 415 I CA -1.062 60.236 61.300 -0.003 0.000 1.132 415 I CB -0.229 37.769 38.000 -0.003 0.000 1.157 415 I HN -0.340 nan 8.210 nan 0.000 0.440 416 I N 2.477 123.028 120.570 -0.031 0.000 2.775 416 I HA -0.008 4.349 4.170 0.311 0.000 0.290 416 I C 0.450 176.585 176.117 0.030 0.000 1.203 416 I CA 0.486 61.733 61.300 -0.089 0.000 1.433 416 I CB 0.268 38.055 38.000 -0.354 0.000 1.354 416 I HN 0.347 nan 8.210 nan 0.000 0.579 417 D N 8.673 129.153 120.400 0.133 0.000 2.382 417 D HA 0.203 5.030 4.640 0.311 0.000 0.245 417 D C -1.598 174.894 176.300 0.320 0.000 1.120 417 D CA -1.150 52.994 54.000 0.240 0.000 0.890 417 D CB 1.120 42.125 40.800 0.343 0.000 1.201 417 D HN 0.358 nan 8.370 nan 0.000 0.433 418 P HA -0.085 nan 4.420 nan 0.000 0.222 418 P C 0.253 177.684 177.300 0.218 0.000 1.147 418 P CA 0.695 63.932 63.100 0.230 0.000 0.790 418 P CB 0.135 31.928 31.700 0.154 0.000 0.780 419 A N -0.380 122.578 122.820 0.230 0.000 2.345 419 A HA 0.053 4.559 4.320 0.311 0.000 0.225 419 A C 1.754 179.386 177.584 0.081 0.000 1.243 419 A CA -0.535 51.572 52.037 0.116 0.000 0.875 419 A CB -1.477 17.579 19.000 0.092 0.000 0.929 419 A HN 0.321 nan 8.150 nan 0.000 0.502 420 W N 0.635 121.956 121.300 0.034 0.000 2.424 420 W HA -0.072 4.769 4.660 0.303 0.000 0.264 420 W C 0.168 176.666 176.519 -0.035 0.000 1.229 420 W CA 1.363 58.715 57.345 0.012 0.000 1.208 420 W CB -0.335 29.151 29.460 0.043 0.000 1.127 420 W HN 0.491 nan 8.180 nan 0.000 0.588 421 E N 0.671 120.396 120.200 -0.792 0.000 2.583 421 E HA 0.069 4.606 4.350 0.311 0.000 0.213 421 E C 0.131 176.486 176.600 -0.409 0.000 0.989 421 E CA -0.110 55.792 56.400 -0.829 0.000 0.991 421 E CB 0.540 29.617 29.700 -1.039 0.000 1.040 421 E HN -0.095 nan 8.360 nan 0.000 0.481 422 S N 3.374 118.919 115.700 -0.259 0.000 2.544 422 S HA 0.002 4.659 4.470 0.311 0.000 0.290 422 S C -1.306 173.193 174.600 -0.167 0.000 1.276 422 S CA -0.807 57.291 58.200 -0.170 0.000 1.075 422 S CB 0.691 63.822 63.200 -0.115 0.000 0.849 422 S HN 0.200 nan 8.310 nan 0.000 0.494 423 P HA -0.147 nan 4.420 nan 0.000 0.221 423 P C 1.195 178.428 177.300 -0.112 0.000 1.150 423 P CA 0.859 63.880 63.100 -0.131 0.000 0.800 423 P CB 0.151 31.786 31.700 -0.109 0.000 0.787 424 E N 0.767 120.907 120.200 -0.100 0.000 2.427 424 E HA 0.061 4.598 4.350 0.311 0.000 0.196 424 E C 1.004 177.544 176.600 -0.100 0.000 1.028 424 E CA 0.925 57.272 56.400 -0.088 0.000 0.864 424 E CB -0.852 28.806 29.700 -0.069 0.000 0.813 424 E HN 0.193 nan 8.360 nan 0.000 0.514 425 G N 0.441 109.169 108.800 -0.121 0.000 2.746 425 G HA2 -0.173 3.974 3.960 0.311 0.000 0.685 425 G HA3 -0.173 3.974 3.960 0.311 0.000 0.685 425 G C -0.207 174.579 174.900 -0.190 0.000 1.350 425 G CA -0.205 44.813 45.100 -0.137 0.000 0.837 425 G HN 0.752 nan 8.290 nan 0.000 0.564 426 V N -1.940 117.806 119.914 -0.278 0.000 2.630 426 V HA 0.891 5.198 4.120 0.311 0.000 0.305 426 V C -2.152 173.748 176.094 -0.323 0.000 1.046 426 V CA -2.105 59.885 62.300 -0.517 0.000 0.934 426 V CB 2.138 33.259 31.823 -1.170 0.000 1.003 426 V HN 0.860 nan 8.190 nan 0.000 0.451 427 P HA 0.399 nan 4.420 nan 0.000 0.287 427 P C -0.676 176.661 177.300 0.063 0.000 1.307 427 P CA -0.156 62.927 63.100 -0.029 0.000 0.777 427 P CB 0.832 32.551 31.700 0.032 0.000 0.883 428 I N 4.040 124.638 120.570 0.047 0.000 2.371 428 I HA 0.154 4.510 4.170 0.311 0.000 0.290 428 I C 1.342 177.529 176.117 0.117 0.000 1.028 428 I CA 0.074 61.438 61.300 0.105 0.000 1.345 428 I CB 0.645 38.689 38.000 0.072 0.000 1.407 428 I HN 0.426 nan 8.210 nan 0.000 0.501 429 E N 3.541 123.823 120.200 0.137 0.000 2.490 429 E HA 0.269 4.806 4.350 0.311 0.000 0.209 429 E C 0.651 177.342 176.600 0.153 0.000 0.971 429 E CA -0.152 56.317 56.400 0.116 0.000 0.988 429 E CB 1.264 30.999 29.700 0.058 0.000 1.029 429 E HN 0.802 nan 8.360 nan 0.000 0.496 430 G N 0.906 109.819 108.800 0.188 0.000 2.733 430 G HA2 0.603 4.749 3.960 0.311 0.000 0.297 430 G HA3 0.603 4.749 3.960 0.311 0.000 0.297 430 G C -1.355 173.663 174.900 0.197 0.000 1.422 430 G CA -0.616 44.637 45.100 0.255 0.000 0.942 430 G HN -0.039 nan 8.290 nan 0.000 0.510 431 I N 1.143 121.799 120.570 0.143 0.000 2.465 431 I HA 0.470 4.827 4.170 0.311 0.000 0.291 431 I C -0.560 175.462 176.117 -0.158 0.000 1.014 431 I CA -0.797 60.484 61.300 -0.031 0.000 1.093 431 I CB 2.252 40.216 38.000 -0.061 0.000 1.267 431 I HN 0.226 nan 8.210 nan 0.000 0.431 432 I N 5.522 125.943 120.570 -0.249 0.000 2.433 432 I HA 0.441 4.798 4.170 0.311 0.000 0.292 432 I C -0.894 174.979 176.117 -0.406 0.000 1.001 432 I CA -0.445 60.740 61.300 -0.191 0.000 1.119 432 I CB 1.371 39.372 38.000 0.002 0.000 1.289 432 I HN 0.266 nan 8.210 nan 0.000 0.438 433 F N 2.745 122.663 119.950 -0.053 0.000 2.541 433 F HA 0.910 5.621 4.527 0.305 0.000 0.331 433 F C 0.699 176.317 175.800 -0.303 0.000 1.057 433 F CA -0.841 57.088 58.000 -0.119 0.000 0.975 433 F CB 2.133 41.043 39.000 -0.151 0.000 1.246 433 F HN 0.498 nan 8.300 nan 0.000 0.484 434 G N -0.673 108.126 108.800 -0.002 0.000 2.355 434 G HA2 0.545 4.692 3.960 0.311 0.000 0.296 434 G HA3 0.545 4.692 3.960 0.311 0.000 0.296 434 G C -1.260 173.501 174.900 -0.230 0.000 1.507 434 G CA -0.026 44.791 45.100 -0.471 0.000 0.823 434 G HN 1.073 nan 8.290 nan 0.000 0.569 435 G N -0.874 107.746 108.800 -0.301 0.000 2.677 435 G HA2 0.596 4.743 3.960 0.311 0.000 0.283 435 G HA3 0.596 4.743 3.960 0.311 0.000 0.283 435 G C -1.314 173.451 174.900 -0.226 0.000 1.221 435 G CA -0.889 44.071 45.100 -0.233 0.000 0.851 435 G HN 0.598 nan 8.290 nan 0.000 0.504 436 R N 1.072 121.375 120.500 -0.329 0.000 2.204 436 R HA 0.479 5.006 4.340 0.311 0.000 0.341 436 R C -0.667 175.562 176.300 -0.118 0.000 1.035 436 R CA -0.483 55.373 56.100 -0.406 0.000 0.887 436 R CB 0.841 30.740 30.300 -0.668 0.000 1.114 436 R HN 0.109 nan 8.270 nan 0.000 0.473 437 R N 3.994 124.512 120.500 0.030 0.000 2.422 437 R HA 0.201 4.728 4.340 0.311 0.000 0.307 437 R C -2.051 174.287 176.300 0.064 0.000 1.004 437 R CA -2.216 53.902 56.100 0.030 0.000 0.882 437 R CB 1.602 31.927 30.300 0.041 0.000 1.164 437 R HN 0.410 nan 8.270 nan 0.000 0.489 438 P HA -0.005 nan 4.420 nan 0.000 0.229 438 P C -0.148 177.139 177.300 -0.022 0.000 1.160 438 P CA 0.657 63.790 63.100 0.054 0.000 0.777 438 P CB 0.640 32.352 31.700 0.020 0.000 0.814 439 A N -1.484 121.283 122.820 -0.089 0.000 2.435 439 A HA 0.655 5.161 4.320 0.311 0.000 0.304 439 A C 0.959 178.157 177.584 -0.643 0.000 1.064 439 A CA -0.021 51.868 52.037 -0.248 0.000 0.727 439 A CB 1.169 20.078 19.000 -0.151 0.000 1.284 439 A HN 0.159 nan 8.150 nan 0.000 0.415 440 G N -0.304 107.972 108.800 -0.873 0.000 2.396 440 G HA2 -0.176 3.970 3.960 0.311 0.000 0.242 440 G HA3 -0.176 3.970 3.960 0.311 0.000 0.242 440 G C 0.326 174.780 174.900 -0.743 0.000 1.069 440 G CA 0.389 44.511 45.100 -1.631 0.000 0.633 440 G HN 1.638 nan 8.290 nan 0.000 0.517 441 V N 3.472 123.160 119.914 -0.377 0.000 2.383 441 V HA 0.488 4.795 4.120 0.311 0.000 0.275 441 V C -1.603 174.531 176.094 0.067 0.000 1.036 441 V CA -1.433 60.928 62.300 0.103 0.000 0.889 441 V CB 1.568 33.505 31.823 0.190 0.000 0.985 441 V HN 0.153 nan 8.190 nan 0.000 0.459 442 P HA 0.066 nan 4.420 nan 0.000 0.269 442 P C 0.800 177.990 177.300 -0.184 0.000 1.215 442 P CA -0.357 62.701 63.100 -0.070 0.000 0.780 442 P CB 0.642 32.418 31.700 0.127 0.000 0.898 443 L N 3.647 124.489 121.223 -0.635 0.000 2.021 443 L HA -0.096 4.431 4.340 0.311 0.000 0.215 443 L C 0.530 177.211 176.870 -0.314 0.000 1.074 443 L CA 2.163 56.626 54.840 -0.629 0.000 0.760 443 L CB -0.221 41.169 42.059 -1.114 0.000 0.889 443 L HN 0.240 nan 8.230 nan 0.000 0.433 444 V N -1.226 118.634 119.914 -0.090 0.000 3.000 444 V HA 0.440 4.747 4.120 0.311 0.000 0.300 444 V C -1.607 174.705 176.094 0.362 0.000 1.251 444 V CA -0.594 61.773 62.300 0.111 0.000 0.972 444 V CB 1.936 33.801 31.823 0.070 0.000 1.065 444 V HN 0.370 nan 8.190 nan 0.000 0.431 445 Y N 2.324 122.819 120.300 0.325 0.000 2.644 445 Y HA 0.842 5.579 4.550 0.312 0.000 0.338 445 Y C -0.786 175.465 175.900 0.585 0.000 1.119 445 Y CA -1.001 57.336 58.100 0.395 0.000 1.060 445 Y CB 1.598 40.212 38.460 0.255 0.000 1.294 445 Y HN 0.719 nan 8.280 nan 0.000 0.472 446 E N 1.738 122.404 120.200 0.776 0.000 2.212 446 E HA 0.717 5.254 4.350 0.311 0.000 0.268 446 E C -0.968 175.920 176.600 0.480 0.000 0.902 446 E CA -1.167 55.554 56.400 0.534 0.000 0.779 446 E CB 1.920 31.947 29.700 0.544 0.000 1.172 446 E HN 1.045 nan 8.360 nan 0.000 0.409 447 A N 3.926 126.914 122.820 0.281 0.000 2.425 447 A HA 0.166 4.672 4.320 0.311 0.000 0.242 447 A C 0.836 178.672 177.584 0.421 0.000 1.077 447 A CA -0.139 52.133 52.037 0.392 0.000 0.781 447 A CB 0.256 19.353 19.000 0.162 0.000 1.020 447 A HN 0.818 nan 8.150 nan 0.000 0.494 448 L N 0.888 122.401 121.223 0.484 0.000 2.446 448 L HA 0.108 4.635 4.340 0.311 0.000 0.219 448 L C 0.890 177.905 176.870 0.242 0.000 1.116 448 L CA 1.020 55.995 54.840 0.224 0.000 0.844 448 L CB -0.505 41.489 42.059 -0.108 0.000 0.970 448 L HN 0.907 nan 8.230 nan 0.000 0.457 449 S N -3.873 111.995 115.700 0.280 0.000 2.656 449 S HA 0.019 4.676 4.470 0.311 0.000 0.265 449 S C -0.137 174.653 174.600 0.315 0.000 1.132 449 S CA -0.912 57.449 58.200 0.267 0.000 0.819 449 S CB 0.174 63.508 63.200 0.225 0.000 1.119 449 S HN 0.187 nan 8.310 nan 0.000 0.476 450 W N 1.260 122.649 121.300 0.150 0.000 2.355 450 W HA -0.153 4.692 4.660 0.308 0.000 0.309 450 W C 1.770 178.414 176.519 0.208 0.000 1.206 450 W CA 2.321 59.768 57.345 0.170 0.000 1.284 450 W CB -0.367 29.168 29.460 0.126 0.000 1.145 450 W HN 0.888 nan 8.180 nan 0.000 0.502 451 Q N -1.341 118.618 119.800 0.265 0.000 2.079 451 Q HA -0.276 4.251 4.340 0.311 0.000 0.200 451 Q C 2.340 178.440 176.000 0.166 0.000 0.974 451 Q CA 1.743 57.654 55.803 0.179 0.000 0.840 451 Q CB -0.852 28.016 28.738 0.216 0.000 0.898 451 Q HN 0.474 nan 8.270 nan 0.000 0.430 452 H N -0.262 118.863 119.070 0.093 0.000 2.352 452 H HA -0.112 4.632 4.556 0.313 0.000 0.299 452 H C 1.945 177.367 175.328 0.157 0.000 1.097 452 H CA 1.309 57.425 56.048 0.114 0.000 1.311 452 H CB 0.099 29.910 29.762 0.081 0.000 1.377 452 H HN 0.331 nan 8.280 nan 0.000 0.504 453 G N 0.093 108.872 108.800 -0.034 0.000 2.408 453 G HA2 -0.175 3.971 3.960 0.311 0.000 0.217 453 G HA3 -0.175 3.971 3.960 0.311 0.000 0.217 453 G C 1.865 176.645 174.900 -0.199 0.000 1.150 453 G CA 0.814 45.831 45.100 -0.138 0.000 0.776 453 G HN 0.332 nan 8.290 nan 0.000 0.542 454 V N 0.516 120.292 119.914 -0.230 0.000 2.407 454 V HA -0.128 4.179 4.120 0.311 0.000 0.248 454 V C 2.311 178.362 176.094 -0.071 0.000 1.055 454 V CA 1.743 63.967 62.300 -0.126 0.000 1.049 454 V CB -0.635 31.178 31.823 -0.017 0.000 0.662 454 V HN 0.429 nan 8.190 nan 0.000 0.455 455 F N 0.724 120.598 119.950 -0.126 0.000 2.171 455 F HA -0.161 4.554 4.527 0.314 0.000 0.300 455 F C 2.156 177.841 175.800 -0.191 0.000 1.090 455 F CA 1.666 59.617 58.000 -0.082 0.000 1.293 455 F CB -0.279 38.721 39.000 -0.000 0.000 1.013 455 F HN -0.034 nan 8.300 nan 0.000 0.486 456 V N 0.737 120.450 119.914 -0.335 0.000 2.343 456 V HA -0.227 4.079 4.120 0.311 0.000 0.247 456 V C 2.793 178.436 176.094 -0.752 0.000 1.051 456 V CA 1.916 63.954 62.300 -0.437 0.000 1.036 456 V CB -1.640 30.063 31.823 -0.201 0.000 0.654 456 V HN 0.563 nan 8.190 nan 0.000 0.451 457 G N -0.239 107.792 108.800 -1.282 0.000 2.446 457 G HA2 -0.248 3.899 3.960 0.311 0.000 0.217 457 G HA3 -0.248 3.899 3.960 0.311 0.000 0.217 457 G C 1.775 175.980 174.900 -1.158 0.000 1.168 457 G CA 1.087 44.768 45.100 -2.364 0.000 0.771 457 G HN 0.613 nan 8.290 nan 0.000 0.551 458 A N 0.907 123.436 122.820 -0.485 0.000 1.972 458 A HA 0.304 4.811 4.320 0.311 0.000 0.219 458 A C 2.620 180.149 177.584 -0.090 0.000 1.169 458 A CA 2.141 54.238 52.037 0.100 0.000 0.635 458 A CB -0.519 18.570 19.000 0.150 0.000 0.810 458 A HN 0.868 nan 8.150 nan 0.000 0.446 459 A N -1.149 121.408 122.820 -0.439 0.000 2.238 459 A HA 0.397 4.904 4.320 0.311 0.000 0.208 459 A C 1.019 178.455 177.584 -0.246 0.000 1.177 459 A CA -0.226 51.585 52.037 -0.377 0.000 0.804 459 A CB -0.535 18.064 19.000 -0.668 0.000 0.823 459 A HN 0.535 nan 8.150 nan 0.000 0.482 460 M N 0.857 120.303 119.600 -0.257 0.000 2.255 460 M HA 0.046 4.713 4.480 0.311 0.000 0.356 460 M C 0.183 176.370 176.300 -0.187 0.000 1.338 460 M CA 1.096 56.300 55.300 -0.160 0.000 0.962 460 M CB 0.128 32.629 32.600 -0.166 0.000 1.877 460 M HN 0.316 nan 8.290 nan 0.000 0.463 461 R N 1.164 121.556 120.500 -0.180 0.000 2.771 461 R HA 0.723 5.250 4.340 0.311 0.000 0.274 461 R C -1.230 174.969 176.300 -0.169 0.000 0.987 461 R CA -0.835 55.096 56.100 -0.281 0.000 0.908 461 R CB 2.425 32.459 30.300 -0.443 0.000 1.213 461 R HN 0.639 nan 8.270 nan 0.000 0.468 462 S N 0.254 115.845 115.700 -0.182 0.000 2.543 462 S HA 0.114 4.770 4.470 0.311 0.000 0.271 462 S C -1.419 173.087 174.600 -0.156 0.000 1.148 462 S CA -0.758 57.349 58.200 -0.156 0.000 0.914 462 S CB 1.604 64.717 63.200 -0.145 0.000 1.096 462 S HN 0.596 nan 8.310 nan 0.000 0.471 463 E N 2.844 122.951 120.200 -0.155 0.000 2.376 463 E HA 0.455 4.991 4.350 0.311 0.000 0.266 463 E C 0.552 177.077 176.600 -0.125 0.000 1.009 463 E CA -0.141 56.182 56.400 -0.128 0.000 0.902 463 E CB 0.776 30.407 29.700 -0.114 0.000 0.972 463 E HN 0.696 nan 8.360 nan 0.000 0.439 474 V N 2.209 122.096 119.914 -0.045 0.000 2.735 474 V HA 0.481 4.788 4.120 0.311 0.000 0.310 474 V C -0.351 175.698 176.094 -0.075 0.000 1.061 474 V CA -0.991 61.278 62.300 -0.051 0.000 0.913 474 V CB 1.989 33.787 31.823 -0.042 0.000 1.005 474 V HN 0.511 nan 8.190 nan 0.000 0.428 475 I N 5.291 125.805 120.570 -0.093 0.000 2.287 475 I HA 0.349 4.706 4.170 0.311 0.000 0.290 475 I C 0.101 176.108 176.117 -0.183 0.000 1.069 475 I CA -0.048 61.168 61.300 -0.140 0.000 1.237 475 I CB 0.968 38.878 38.000 -0.150 0.000 1.418 475 I HN 0.453 nan 8.210 nan 0.000 0.481 476 M N 4.747 124.240 119.600 -0.177 0.000 2.359 476 M HA 0.319 4.985 4.480 0.311 0.000 0.322 476 M C 0.287 176.408 176.300 -0.298 0.000 1.166 476 M CA -0.454 54.747 55.300 -0.165 0.000 1.067 476 M CB 0.782 33.323 32.600 -0.099 0.000 1.523 476 M HN 0.351 nan 8.290 nan 0.000 0.467 477 H N 1.215 120.119 119.070 -0.278 0.000 2.580 477 H HA 0.185 4.927 4.556 0.309 0.000 0.322 477 H C -0.760 174.407 175.328 -0.268 0.000 1.082 477 H CA 0.254 56.041 56.048 -0.434 0.000 1.383 477 H CB 0.939 30.088 29.762 -1.022 0.000 1.450 477 H HN 0.423 nan 8.280 nan 0.000 0.505 478 D N 4.884 125.210 120.400 -0.122 0.000 2.621 478 D HA 0.182 5.009 4.640 0.311 0.000 0.274 478 D C -2.725 173.551 176.300 -0.041 0.000 1.215 478 D CA -1.877 52.084 54.000 -0.066 0.000 0.810 478 D CB 0.945 41.715 40.800 -0.050 0.000 1.248 478 D HN 0.220 nan 8.370 nan 0.000 0.517 479 P HA 0.084 nan 4.420 nan 0.000 0.267 479 P C 0.298 177.756 177.300 0.264 0.000 1.205 479 P CA -0.115 63.033 63.100 0.081 0.000 0.765 479 P CB 0.070 31.802 31.700 0.053 0.000 0.828 480 F N 1.388 121.278 119.950 -0.100 0.000 3.079 480 F HA -0.311 4.402 4.527 0.311 0.000 0.285 480 F C 1.455 177.333 175.800 0.131 0.000 0.819 480 F CA 1.169 59.173 58.000 0.006 0.000 1.067 480 F CB -2.662 36.464 39.000 0.211 0.000 1.263 480 F HN 0.584 nan 8.300 nan 0.000 0.458 481 A N -1.815 121.121 122.820 0.192 0.000 2.861 481 A HA -0.299 4.208 4.320 0.311 0.000 0.261 481 A C 1.345 179.104 177.584 0.292 0.000 1.351 481 A CA 1.672 53.854 52.037 0.242 0.000 0.904 481 A CB -1.501 17.649 19.000 0.251 0.000 1.076 481 A HN 0.414 nan 8.150 nan 0.000 0.729 482 M N -1.413 118.181 119.600 -0.009 0.000 2.346 482 M HA 0.158 4.824 4.480 0.311 0.000 0.280 482 M C 1.571 177.300 176.300 -0.952 0.000 1.075 482 M CA 0.412 55.457 55.300 -0.425 0.000 0.989 482 M CB -0.380 31.693 32.600 -0.879 0.000 1.447 482 M HN 0.617 nan 8.290 nan 0.000 0.511 483 R N 1.824 122.028 120.500 -0.493 0.000 2.103 483 R HA -0.148 4.379 4.340 0.311 0.000 0.242 483 R C -1.069 174.971 176.300 -0.433 0.000 1.142 483 R CA 1.761 57.659 56.100 -0.338 0.000 0.960 483 R CB -0.857 29.356 30.300 -0.145 0.000 0.858 483 R HN 0.173 nan 8.270 nan 0.000 0.439 484 P HA 0.026 nan 4.420 nan 0.000 0.249 484 P C -0.169 176.569 177.300 -0.938 0.000 1.229 484 P CA 0.862 63.432 63.100 -0.884 0.000 0.788 484 P CB 0.179 31.100 31.700 -1.298 0.000 1.072 485 F N -3.453 116.305 119.950 -0.318 0.000 2.798 485 F HA 0.306 5.023 4.527 0.318 0.000 0.328 485 F C 0.587 176.219 175.800 -0.280 0.000 1.098 485 F CA -0.989 56.837 58.000 -0.289 0.000 1.172 485 F CB -0.622 38.203 39.000 -0.292 0.000 1.072 485 F HN -0.310 nan 8.300 nan 0.000 0.555 486 F N 1.042 120.956 119.950 -0.059 0.000 2.602 486 F HA 0.308 5.029 4.527 0.323 0.000 0.385 486 F C 1.677 177.454 175.800 -0.038 0.000 1.063 486 F CA -0.048 57.868 58.000 -0.139 0.000 1.233 486 F CB 0.297 39.121 39.000 -0.294 0.000 1.067 486 F HN 0.096 nan 8.300 nan 0.000 0.564 487 G N 2.835 111.799 108.800 0.274 0.000 2.985 487 G HA2 0.144 4.291 3.960 0.311 0.000 0.209 487 G HA3 0.144 4.291 3.960 0.311 0.000 0.209 487 G C -0.491 174.622 174.900 0.354 0.000 1.165 487 G CA 0.446 45.700 45.100 0.256 0.000 0.776 487 G HN 0.664 nan 8.290 nan 0.000 0.541 488 Y N -2.784 117.578 120.300 0.104 0.000 2.788 488 Y HA 0.470 5.197 4.550 0.295 0.000 0.335 488 Y C -0.676 175.244 175.900 0.032 0.000 1.287 488 Y CA -2.579 55.555 58.100 0.056 0.000 1.068 488 Y CB 0.083 38.557 38.460 0.024 0.000 1.340 488 Y HN -0.158 nan 8.280 nan 0.000 0.449 489 N N 1.749 120.442 118.700 -0.013 0.000 2.315 489 N HA -0.134 4.793 4.740 0.311 0.000 0.270 489 N C 0.562 175.864 175.510 -0.347 0.000 1.329 489 N CA 0.438 53.410 53.050 -0.131 0.000 0.860 489 N CB 0.061 38.539 38.487 -0.014 0.000 1.095 489 N HN 0.785 nan 8.380 nan 0.000 0.487 490 F N 4.804 124.393 119.950 -0.603 0.000 2.134 490 F HA 0.000 4.713 4.527 0.310 0.000 0.299 490 F C 2.053 177.625 175.800 -0.380 0.000 1.097 490 F CA 1.892 59.393 58.000 -0.831 0.000 1.264 490 F CB -0.744 37.662 39.000 -0.991 0.000 1.001 490 F HN 0.558 nan 8.300 nan 0.000 0.479 491 G N 0.875 109.400 108.800 -0.459 0.000 2.469 491 G HA2 -0.289 3.858 3.960 0.311 0.000 0.219 491 G HA3 -0.289 3.858 3.960 0.311 0.000 0.219 491 G C 1.807 176.584 174.900 -0.204 0.000 1.150 491 G CA 0.915 45.785 45.100 -0.383 0.000 0.763 491 G HN 0.238 nan 8.290 nan 0.000 0.561 492 K N -0.257 120.094 120.400 -0.082 0.000 2.148 492 K HA -0.056 4.451 4.320 0.311 0.000 0.204 492 K C 2.054 178.786 176.600 0.221 0.000 1.050 492 K CA 0.844 57.189 56.287 0.096 0.000 0.942 492 K CB -0.607 32.023 32.500 0.216 0.000 0.724 492 K HN 0.536 nan 8.250 nan 0.000 0.446 493 Y N 1.882 122.124 120.300 -0.097 0.000 2.181 493 Y HA -0.166 4.570 4.550 0.310 0.000 0.288 493 Y C 2.022 177.963 175.900 0.069 0.000 1.146 493 Y CA 1.309 59.413 58.100 0.007 0.000 1.164 493 Y CB -0.314 37.939 38.460 -0.345 0.000 0.982 493 Y HN -0.108 nan 8.280 nan 0.000 0.515 494 L N -0.086 121.085 121.223 -0.086 0.000 2.042 494 L HA -0.267 4.260 4.340 0.311 0.000 0.210 494 L C 2.821 179.728 176.870 0.062 0.000 1.076 494 L CA 1.321 56.088 54.840 -0.122 0.000 0.749 494 L CB -1.062 40.809 42.059 -0.313 0.000 0.893 494 L HN 0.371 nan 8.230 nan 0.000 0.432 495 A N -0.755 122.109 122.820 0.074 0.000 1.933 495 A HA -0.290 4.216 4.320 0.311 0.000 0.218 495 A C 2.100 179.806 177.584 0.203 0.000 1.175 495 A CA 1.918 54.038 52.037 0.138 0.000 0.628 495 A CB -0.800 18.267 19.000 0.113 0.000 0.814 495 A HN 0.526 nan 8.150 nan 0.000 0.444 496 H N -2.135 117.001 119.070 0.110 0.000 2.321 496 H HA -0.190 4.553 4.556 0.311 0.000 0.300 496 H C 1.767 177.148 175.328 0.089 0.000 1.087 496 H CA 2.225 58.321 56.048 0.080 0.000 1.319 496 H CB -0.373 29.431 29.762 0.071 0.000 1.379 496 H HN 0.613 nan 8.280 nan 0.000 0.501 497 W N 0.632 121.878 121.300 -0.089 0.000 2.335 497 W HA -0.167 4.673 4.660 0.299 0.000 0.311 497 W C 2.490 179.174 176.519 0.274 0.000 1.213 497 W CA 1.610 58.967 57.345 0.020 0.000 1.274 497 W CB -0.589 28.824 29.460 -0.078 0.000 1.148 497 W HN 0.206 nan 8.180 nan 0.000 0.498 498 L N 0.125 121.605 121.223 0.429 0.000 2.083 498 L HA -0.255 4.272 4.340 0.311 0.000 0.209 498 L C 2.663 179.656 176.870 0.205 0.000 1.083 498 L CA 1.710 56.786 54.840 0.394 0.000 0.752 498 L CB -1.196 41.023 42.059 0.267 0.000 0.899 498 L HN 0.039 nan 8.230 nan 0.000 0.433 499 S N -0.557 115.222 115.700 0.131 0.000 2.447 499 S HA -0.180 4.477 4.470 0.311 0.000 0.233 499 S C 1.939 176.485 174.600 -0.091 0.000 1.006 499 S CA 0.781 59.013 58.200 0.054 0.000 0.957 499 S CB -0.370 62.889 63.200 0.099 0.000 0.773 499 S HN 0.350 nan 8.310 nan 0.000 0.507 500 M N 1.563 121.109 119.600 -0.090 0.000 2.144 500 M HA -0.080 4.587 4.480 0.311 0.000 0.260 500 M C 2.569 178.578 176.300 -0.485 0.000 1.067 500 M CA 1.700 56.881 55.300 -0.199 0.000 1.095 500 M CB -0.697 31.888 32.600 -0.024 0.000 1.365 500 M HN 0.562 nan 8.290 nan 0.000 0.406 501 A N -0.972 121.508 122.820 -0.567 0.000 2.168 501 A HA -0.109 4.398 4.320 0.311 0.000 0.215 501 A C 1.323 178.630 177.584 -0.462 0.000 1.152 501 A CA 0.997 52.647 52.037 -0.645 0.000 0.716 501 A CB -0.744 17.945 19.000 -0.518 0.000 0.794 501 A HN 0.503 nan 8.150 nan 0.000 0.465 502 H N -0.942 118.036 119.070 -0.153 0.000 2.529 502 H HA 0.200 4.943 4.556 0.311 0.000 0.277 502 H C 0.554 175.791 175.328 -0.153 0.000 1.004 502 H CA -0.108 55.871 56.048 -0.115 0.000 1.167 502 H CB -0.051 29.679 29.762 -0.053 0.000 1.445 502 H HN 0.361 nan 8.280 nan 0.000 0.554 503 R N 2.625 123.019 120.500 -0.176 0.000 2.441 503 R HA 0.148 4.674 4.340 0.311 0.000 0.284 503 R C -2.236 173.923 176.300 -0.234 0.000 1.070 503 R CA -1.567 54.399 56.100 -0.222 0.000 1.047 503 R CB 0.475 30.545 30.300 -0.383 0.000 1.016 503 R HN 0.028 nan 8.270 nan 0.000 0.477 504 P HA -0.011 nan 4.420 nan 0.000 0.261 504 P C -0.329 176.862 177.300 -0.181 0.000 1.203 504 P CA 0.550 63.567 63.100 -0.139 0.000 0.767 504 P CB 0.917 32.562 31.700 -0.092 0.000 0.785 505 A N 2.454 125.173 122.820 -0.167 0.000 2.979 505 A HA -0.115 4.391 4.320 0.311 0.000 0.260 505 A C 0.843 178.291 177.584 -0.227 0.000 1.282 505 A CA 0.729 52.673 52.037 -0.155 0.000 0.971 505 A CB -2.293 16.645 19.000 -0.102 0.000 1.124 505 A HN 0.866 nan 8.150 nan 0.000 0.826 506 A N -0.131 122.451 122.820 -0.397 0.000 2.488 506 A HA 0.489 4.995 4.320 0.311 0.000 0.249 506 A C 0.487 177.851 177.584 -0.367 0.000 1.083 506 A CA 0.736 52.376 52.037 -0.660 0.000 0.768 506 A CB 0.012 18.250 19.000 -1.270 0.000 1.017 506 A HN 0.506 nan 8.150 nan 0.000 0.496 507 K N 3.166 123.479 120.400 -0.146 0.000 2.231 507 K HA 0.338 4.845 4.320 0.311 0.000 0.255 507 K C -0.842 175.797 176.600 0.065 0.000 1.108 507 K CA 0.074 56.352 56.287 -0.015 0.000 0.997 507 K CB 0.417 32.949 32.500 0.053 0.000 1.549 507 K HN 0.651 nan 8.250 nan 0.000 0.419 508 L N 4.943 126.123 121.223 -0.072 0.000 2.455 508 L HA 0.163 4.690 4.340 0.311 0.000 0.272 508 L C -1.592 175.354 176.870 0.127 0.000 1.174 508 L CA -1.635 53.150 54.840 -0.091 0.000 0.869 508 L CB -0.124 41.718 42.059 -0.360 0.000 1.130 508 L HN 0.339 nan 8.230 nan 0.000 0.474 509 P HA 0.169 nan 4.420 nan 0.000 0.277 509 P C -0.936 176.530 177.300 0.277 0.000 1.240 509 P CA -0.681 62.572 63.100 0.255 0.000 0.798 509 P CB 0.798 32.660 31.700 0.269 0.000 0.979 510 K N 1.599 122.066 120.400 0.112 0.000 2.414 510 K HA 0.240 4.747 4.320 0.311 0.000 0.272 510 K C 0.224 176.707 176.600 -0.195 0.000 0.993 510 K CA 0.125 56.355 56.287 -0.096 0.000 0.964 510 K CB 0.211 32.534 32.500 -0.295 0.000 0.925 510 K HN 0.464 nan 8.250 nan 0.000 0.487 511 I N 3.345 123.727 120.570 -0.315 0.000 2.433 511 I HA 0.327 4.683 4.170 0.311 0.000 0.292 511 I C -0.621 175.258 176.117 -0.396 0.000 1.001 511 I CA -0.698 60.462 61.300 -0.234 0.000 1.119 511 I CB 0.862 38.821 38.000 -0.069 0.000 1.289 511 I HN 0.363 nan 8.210 nan 0.000 0.438 512 F N 3.802 123.757 119.950 0.008 0.000 2.598 512 F HA 0.525 5.238 4.527 0.309 0.000 0.327 512 F C 0.093 175.851 175.800 -0.070 0.000 1.057 512 F CA -0.707 57.304 58.000 0.019 0.000 0.957 512 F CB 1.492 40.534 39.000 0.070 0.000 1.278 512 F HN 0.369 nan 8.300 nan 0.000 0.484 513 H N 1.185 120.156 119.070 -0.165 0.000 2.667 513 H HA 0.676 5.419 4.556 0.311 0.000 0.353 513 H C -1.619 173.506 175.328 -0.338 0.000 1.072 513 H CA -0.631 55.210 56.048 -0.345 0.000 1.214 513 H CB 1.946 31.212 29.762 -0.825 0.000 1.600 513 H HN 0.578 nan 8.280 nan 0.000 0.527 514 V N 2.784 122.336 119.914 -0.604 0.000 3.046 514 V HA 0.577 4.884 4.120 0.311 0.000 0.316 514 V C -0.569 175.105 176.094 -0.700 0.000 1.104 514 V CA -0.963 60.952 62.300 -0.641 0.000 1.006 514 V CB 2.033 33.208 31.823 -1.079 0.000 1.058 514 V HN 0.776 nan 8.190 nan 0.000 0.440 515 N N 1.186 119.544 118.700 -0.569 0.000 2.594 515 N HA 0.389 5.316 4.740 0.311 0.000 0.280 515 N C -0.496 174.872 175.510 -0.236 0.000 1.156 515 N CA -0.633 52.207 53.050 -0.349 0.000 0.831 515 N CB 1.078 39.520 38.487 -0.074 0.000 1.379 515 N HN 0.933 nan 8.380 nan 0.000 0.536 516 W N 1.890 122.954 121.300 -0.394 0.000 3.047 516 W HA 0.199 5.045 4.660 0.310 0.000 0.250 516 W C 0.170 176.234 176.519 -0.758 0.000 1.314 516 W CA -0.307 56.622 57.345 -0.692 0.000 1.540 516 W CB 0.236 28.981 29.460 -1.192 0.000 1.127 516 W HN 0.439 nan 8.180 nan 0.000 0.679 517 F N -0.061 119.909 119.950 0.033 0.000 2.654 517 F HA 0.287 5.000 4.527 0.311 0.000 0.303 517 F C 1.229 177.195 175.800 0.277 0.000 1.099 517 F CA -0.644 57.435 58.000 0.131 0.000 1.270 517 F CB -0.270 38.787 39.000 0.094 0.000 1.024 517 F HN -0.396 nan 8.300 nan 0.000 0.548 518 R N 2.050 122.708 120.500 0.262 0.000 2.537 518 R HA 0.249 4.776 4.340 0.311 0.000 0.280 518 R C -0.359 176.066 176.300 0.208 0.000 1.058 518 R CA 0.317 56.511 56.100 0.156 0.000 1.057 518 R CB 0.569 30.878 30.300 0.016 0.000 0.973 518 R HN 0.142 nan 8.270 nan 0.000 0.438 519 K N 2.041 122.497 120.400 0.094 0.000 2.328 519 K HA 0.181 4.687 4.320 0.311 0.000 0.246 519 K C -0.812 175.781 176.600 -0.011 0.000 0.955 519 K CA -1.036 55.265 56.287 0.023 0.000 0.817 519 K CB 1.468 33.918 32.500 -0.083 0.000 1.208 519 K HN 0.632 nan 8.250 nan 0.000 0.432 520 D N 0.478 120.868 120.400 -0.016 0.000 2.414 520 D HA -0.021 4.805 4.640 0.311 0.000 0.251 520 D C 0.660 176.941 176.300 -0.032 0.000 1.252 520 D CA -0.393 53.596 54.000 -0.019 0.000 0.999 520 D CB 0.528 41.324 40.800 -0.007 0.000 1.093 520 D HN 0.528 nan 8.370 nan 0.000 0.515 521 K N -0.807 119.578 120.400 -0.025 0.000 2.360 521 K HA -0.121 4.386 4.320 0.311 0.000 0.201 521 K C 0.520 177.102 176.600 -0.031 0.000 1.046 521 K CA 0.936 57.208 56.287 -0.026 0.000 0.945 521 K CB -0.362 32.128 32.500 -0.017 0.000 0.750 521 K HN 0.119 nan 8.250 nan 0.000 0.464 522 N N 0.271 118.950 118.700 -0.035 0.000 2.280 522 N HA 0.077 5.004 4.740 0.311 0.000 0.192 522 N C 0.618 176.090 175.510 -0.063 0.000 1.109 522 N CA 0.800 53.826 53.050 -0.040 0.000 0.855 522 N CB 1.128 39.597 38.487 -0.031 0.000 0.974 522 N HN 0.517 nan 8.380 nan 0.000 0.482 523 G N 0.669 109.419 108.800 -0.083 0.000 2.143 523 G HA2 -0.301 3.846 3.960 0.311 0.000 0.249 523 G HA3 -0.301 3.846 3.960 0.311 0.000 0.249 523 G C 0.146 174.916 174.900 -0.218 0.000 0.981 523 G CA 0.179 45.197 45.100 -0.138 0.000 0.665 523 G HN 0.416 nan 8.290 nan 0.000 0.528 524 K N 0.271 120.580 120.400 -0.151 0.000 2.205 524 K HA 0.542 5.049 4.320 0.311 0.000 0.279 524 K C 0.049 176.581 176.600 -0.114 0.000 1.027 524 K CA -0.862 55.340 56.287 -0.141 0.000 0.932 524 K CB 0.311 32.785 32.500 -0.044 0.000 1.032 524 K HN 0.004 nan 8.250 nan 0.000 0.466 525 F N 4.012 123.982 119.950 0.032 0.000 2.578 525 F HA -0.023 4.691 4.527 0.311 0.000 0.376 525 F C 1.533 177.353 175.800 0.032 0.000 1.085 525 F CA -0.277 57.745 58.000 0.036 0.000 1.260 525 F CB 0.508 39.524 39.000 0.026 0.000 1.095 525 F HN 0.474 nan 8.300 nan 0.000 0.573 526 L N 3.495 124.879 121.223 0.268 0.000 2.313 526 L HA -0.052 4.475 4.340 0.311 0.000 0.214 526 L C 0.305 177.322 176.870 0.246 0.000 1.119 526 L CA 0.552 55.504 54.840 0.185 0.000 0.809 526 L CB 0.068 42.204 42.059 0.128 0.000 0.933 526 L HN 0.590 nan 8.230 nan 0.000 0.449 527 W N 1.736 123.035 121.300 -0.001 0.000 2.600 527 W HA 0.261 5.107 4.660 0.310 0.000 0.325 527 W C -1.941 174.494 176.519 -0.140 0.000 1.034 527 W CA -1.742 55.548 57.345 -0.091 0.000 1.226 527 W CB 1.958 31.332 29.460 -0.142 0.000 1.379 527 W HN -0.176 nan 8.180 nan 0.000 0.466 528 P HA -0.031 nan 4.420 nan 0.000 0.220 528 P C 1.020 177.966 177.300 -0.591 0.000 1.148 528 P CA 1.871 64.646 63.100 -0.543 0.000 0.803 528 P CB 0.509 31.870 31.700 -0.564 0.000 0.782 529 G N -0.349 107.843 108.800 -1.014 0.000 2.601 529 G HA2 -0.278 3.869 3.960 0.311 0.000 0.261 529 G HA3 -0.278 3.869 3.960 0.311 0.000 0.261 529 G C 0.112 174.657 174.900 -0.592 0.000 1.289 529 G CA -0.007 44.597 45.100 -0.827 0.000 0.920 529 G HN 0.183 nan 8.290 nan 0.000 0.571 530 F N -2.004 117.614 119.950 -0.553 0.000 2.512 530 F HA -0.297 4.416 4.527 0.310 0.000 0.290 530 F C 2.739 178.336 175.800 -0.338 0.000 1.459 530 F CA 2.829 60.600 58.000 -0.381 0.000 1.366 530 F CB -1.735 37.103 39.000 -0.270 0.000 3.242 530 F HN 1.655 nan 8.300 nan 0.000 0.190 531 G N -0.297 108.493 108.800 -0.018 0.000 2.485 531 G HA2 -0.198 3.949 3.960 0.311 0.000 0.221 531 G HA3 -0.198 3.949 3.960 0.311 0.000 0.221 531 G C 1.151 175.957 174.900 -0.156 0.000 1.115 531 G CA 1.306 46.353 45.100 -0.087 0.000 0.751 531 G HN 0.581 nan 8.290 nan 0.000 0.567 532 E N 0.979 121.039 120.200 -0.233 0.000 2.427 532 E HA -0.037 4.499 4.350 0.311 0.000 0.196 532 E C 1.852 178.367 176.600 -0.141 0.000 1.028 532 E CA 0.095 56.329 56.400 -0.276 0.000 0.864 532 E CB -0.213 29.166 29.700 -0.536 0.000 0.813 532 E HN 0.328 nan 8.360 nan 0.000 0.514 533 N N 1.216 119.772 118.700 -0.239 0.000 2.519 533 N HA -0.120 4.807 4.740 0.311 0.000 0.186 533 N C 1.766 177.185 175.510 -0.151 0.000 1.062 533 N CA 1.045 53.919 53.050 -0.293 0.000 0.910 533 N CB -0.288 37.687 38.487 -0.853 0.000 0.958 533 N HN 0.191 nan 8.380 nan 0.000 0.445 534 S N 0.921 116.530 115.700 -0.153 0.000 2.400 534 S HA -0.138 4.518 4.470 0.311 0.000 0.232 534 S C 1.823 176.252 174.600 -0.286 0.000 1.025 534 S CA 0.706 58.781 58.200 -0.207 0.000 0.993 534 S CB -0.218 62.854 63.200 -0.214 0.000 0.808 534 S HN 0.319 nan 8.310 nan 0.000 0.478 535 R N 0.553 120.974 120.500 -0.132 0.000 2.092 535 R HA 0.077 4.604 4.340 0.311 0.000 0.231 535 R C 2.266 178.555 176.300 -0.018 0.000 1.119 535 R CA 1.280 57.336 56.100 -0.073 0.000 0.970 535 R CB -0.689 29.685 30.300 0.124 0.000 0.864 535 R HN 0.357 nan 8.270 nan 0.000 0.440 536 V N 1.433 121.364 119.914 0.029 0.000 2.453 536 V HA -0.160 4.146 4.120 0.311 0.000 0.247 536 V C 2.214 178.345 176.094 0.063 0.000 1.048 536 V CA 1.447 63.785 62.300 0.064 0.000 1.049 536 V CB -0.353 31.538 31.823 0.112 0.000 0.672 536 V HN 0.284 nan 8.190 nan 0.000 0.457 537 L N -0.013 121.195 121.223 -0.026 0.000 2.141 537 L HA -0.176 4.351 4.340 0.311 0.000 0.209 537 L C 2.560 179.360 176.870 -0.116 0.000 1.094 537 L CA 1.826 56.634 54.840 -0.054 0.000 0.763 537 L CB -0.581 41.452 42.059 -0.043 0.000 0.908 537 L HN 0.472 nan 8.230 nan 0.000 0.437 538 E N 0.021 120.013 120.200 -0.346 0.000 2.077 538 E HA -0.295 4.242 4.350 0.311 0.000 0.193 538 E C 2.138 178.760 176.600 0.036 0.000 0.989 538 E CA 1.604 57.754 56.400 -0.416 0.000 0.800 538 E CB -0.238 29.065 29.700 -0.661 0.000 0.746 538 E HN 0.475 nan 8.360 nan 0.000 0.452 539 W N 1.003 122.246 121.300 -0.094 0.000 2.358 539 W HA -0.155 4.691 4.660 0.310 0.000 0.303 539 W C 2.070 178.589 176.519 -0.001 0.000 1.208 539 W CA 1.868 59.203 57.345 -0.017 0.000 1.274 539 W CB -0.159 29.284 29.460 -0.029 0.000 1.138 539 W HN 0.071 nan 8.180 nan 0.000 0.515 540 M N -0.967 118.551 119.600 -0.136 0.000 2.086 540 M HA -0.188 4.478 4.480 0.311 0.000 0.261 540 M C 2.165 178.392 176.300 -0.121 0.000 1.067 540 M CA 1.899 56.891 55.300 -0.513 0.000 1.116 540 M CB -1.144 30.959 32.600 -0.830 0.000 1.348 540 M HN 0.032 nan 8.290 nan 0.000 0.407 541 F N 1.080 120.978 119.950 -0.087 0.000 2.095 541 F HA -0.127 4.587 4.527 0.311 0.000 0.298 541 F C 2.269 178.086 175.800 0.027 0.000 1.104 541 F CA 1.911 59.945 58.000 0.056 0.000 1.232 541 F CB -0.846 38.286 39.000 0.220 0.000 0.987 541 F HN 0.086 nan 8.300 nan 0.000 0.475 542 G N 0.091 109.067 108.800 0.294 0.000 2.418 542 G HA2 -0.216 3.931 3.960 0.311 0.000 0.217 542 G HA3 -0.216 3.931 3.960 0.311 0.000 0.217 542 G C 1.841 176.712 174.900 -0.049 0.000 1.158 542 G CA 0.423 45.609 45.100 0.143 0.000 0.771 542 G HN 0.145 nan 8.290 nan 0.000 0.545 543 R N 0.257 120.617 120.500 -0.233 0.000 2.091 543 R HA 0.024 4.550 4.340 0.311 0.000 0.238 543 R C 2.559 178.816 176.300 -0.072 0.000 1.136 543 R CA 0.785 56.740 56.100 -0.243 0.000 0.959 543 R CB -0.824 29.234 30.300 -0.403 0.000 0.856 543 R HN 0.461 nan 8.270 nan 0.000 0.437 544 I N 0.979 121.547 120.570 -0.003 0.000 2.394 544 I HA -0.181 4.176 4.170 0.311 0.000 0.251 544 I C 1.781 177.865 176.117 -0.056 0.000 1.136 544 I CA 1.031 62.326 61.300 -0.010 0.000 1.425 544 I CB -0.128 37.855 38.000 -0.029 0.000 1.079 544 I HN 0.022 nan 8.210 nan 0.000 0.425 545 E N 0.572 120.739 120.200 -0.054 0.000 2.481 545 E HA 0.017 4.554 4.350 0.311 0.000 0.195 545 E C 1.526 178.118 176.600 -0.013 0.000 1.047 545 E CA 0.735 57.119 56.400 -0.026 0.000 0.867 545 E CB 0.186 29.910 29.700 0.040 0.000 0.858 545 E HN 0.536 nan 8.360 nan 0.000 0.513 546 G N 1.864 110.645 108.800 -0.032 0.000 2.141 546 G HA2 -0.270 3.876 3.960 0.311 0.000 0.231 546 G HA3 -0.270 3.876 3.960 0.311 0.000 0.231 546 G C -0.086 174.794 174.900 -0.034 0.000 0.984 546 G CA 0.067 45.145 45.100 -0.037 0.000 0.660 546 G HN 0.300 nan 8.290 nan 0.000 0.525 547 E N 0.393 120.574 120.200 -0.031 0.000 2.413 547 E HA 0.264 4.800 4.350 0.311 0.000 0.263 547 E C -0.114 176.469 176.600 -0.029 0.000 1.015 547 E CA -0.139 56.253 56.400 -0.014 0.000 0.916 547 E CB 0.599 30.304 29.700 0.008 0.000 0.947 547 E HN 0.134 nan 8.360 nan 0.000 0.440 548 D N 1.704 122.105 120.400 0.002 0.000 2.801 548 D HA 0.012 4.838 4.640 0.311 0.000 0.232 548 D C -0.055 176.277 176.300 0.054 0.000 1.128 548 D CA 0.023 54.029 54.000 0.010 0.000 1.003 548 D CB -0.334 40.476 40.800 0.017 0.000 1.110 548 D HN 0.303 nan 8.370 nan 0.000 0.477 549 S N -0.561 115.186 115.700 0.079 0.000 2.663 549 S HA 0.560 5.216 4.470 0.311 0.000 0.243 549 S C 0.487 175.320 174.600 0.388 0.000 1.009 549 S CA -0.637 57.692 58.200 0.215 0.000 0.988 549 S CB 0.712 64.053 63.200 0.235 0.000 0.896 549 S HN 0.265 nan 8.310 nan 0.000 0.502 550 A N 1.849 124.824 122.820 0.259 0.000 2.374 550 A HA 0.797 5.304 4.320 0.311 0.000 0.317 550 A C -0.510 177.226 177.584 0.254 0.000 1.094 550 A CA -0.891 51.360 52.037 0.358 0.000 0.765 550 A CB 1.492 20.633 19.000 0.235 0.000 1.268 550 A HN 0.476 nan 8.150 nan 0.000 0.438 551 K N 1.770 122.350 120.400 0.300 0.000 2.371 551 K HA 0.645 5.152 4.320 0.311 0.000 0.251 551 K C -1.550 175.229 176.600 0.298 0.000 0.934 551 K CA -0.702 55.726 56.287 0.236 0.000 0.798 551 K CB 1.704 34.267 32.500 0.105 0.000 1.204 551 K HN 0.543 nan 8.250 nan 0.000 0.427 552 L N 3.211 124.575 121.223 0.235 0.000 2.380 552 L HA 0.366 4.893 4.340 0.311 0.000 0.273 552 L C -0.399 176.435 176.870 -0.061 0.000 1.138 552 L CA 0.895 55.751 54.840 0.027 0.000 0.832 552 L CB 1.182 43.243 42.059 0.004 0.000 1.124 552 L HN 0.981 nan 8.230 nan 0.000 0.454 553 T N 1.218 115.675 114.554 -0.161 0.000 2.864 553 T HA 0.590 5.126 4.350 0.311 0.000 0.289 553 T C -2.150 172.392 174.700 -0.264 0.000 1.082 553 T CA -1.512 60.482 62.100 -0.176 0.000 1.009 553 T CB 1.427 70.193 68.868 -0.168 0.000 1.234 553 T HN 0.386 nan 8.240 nan 0.000 0.526 554 P HA 0.021 nan 4.420 nan 0.000 0.219 554 P C 1.445 178.496 177.300 -0.415 0.000 1.146 554 P CA 0.994 63.908 63.100 -0.310 0.000 0.808 554 P CB -0.250 31.283 31.700 -0.278 0.000 0.779 555 I N -6.328 113.918 120.570 -0.540 0.000 3.860 555 I HA 0.457 4.813 4.170 0.311 0.000 0.319 555 I C 0.860 176.738 176.117 -0.399 0.000 1.279 555 I CA 0.174 61.072 61.300 -0.669 0.000 1.220 555 I CB 0.116 37.347 38.000 -1.281 0.000 1.027 555 I HN -0.047 nan 8.210 nan 0.000 0.428 556 G N 0.439 109.052 108.800 -0.311 0.000 2.340 556 G HA2 0.048 4.195 3.960 0.311 0.000 0.282 556 G HA3 0.048 4.195 3.960 0.311 0.000 0.282 556 G C -1.616 173.189 174.900 -0.158 0.000 1.312 556 G CA -0.926 44.095 45.100 -0.131 0.000 0.942 556 G HN 0.140 nan 8.290 nan 0.000 0.495 557 Y N 0.213 120.668 120.300 0.259 0.000 2.304 557 Y HA 0.483 5.219 4.550 0.310 0.000 0.328 557 Y C 1.265 177.381 175.900 0.361 0.000 1.123 557 Y CA 0.079 58.347 58.100 0.281 0.000 1.218 557 Y CB 1.517 40.178 38.460 0.335 0.000 1.207 557 Y HN 0.641 nan 8.280 nan 0.000 0.495 558 V N 0.917 121.033 119.914 0.337 0.000 3.096 558 V HA 0.689 4.996 4.120 0.311 0.000 0.319 558 V C -2.832 173.191 176.094 -0.117 0.000 1.103 558 V CA -3.528 58.817 62.300 0.074 0.000 1.016 558 V CB 1.632 33.447 31.823 -0.013 0.000 1.090 558 V HN 0.448 nan 8.190 nan 0.000 0.449 559 P HA 0.202 nan 4.420 nan 0.000 0.268 559 P C -0.490 176.612 177.300 -0.330 0.000 1.204 559 P CA 0.042 62.717 63.100 -0.709 0.000 0.768 559 P CB 0.228 31.173 31.700 -1.259 0.000 0.842 560 K N 1.856 122.228 120.400 -0.047 0.000 2.336 560 K HA 0.029 4.536 4.320 0.311 0.000 0.262 560 K C 0.401 176.928 176.600 -0.120 0.000 0.992 560 K CA 0.009 56.272 56.287 -0.040 0.000 0.927 560 K CB 0.190 32.719 32.500 0.049 0.000 0.956 560 K HN 0.461 nan 8.250 nan 0.000 0.495 561 E N 1.699 121.845 120.200 -0.089 0.000 2.452 561 E HA -0.131 4.406 4.350 0.311 0.000 0.261 561 E C -0.525 176.049 176.600 -0.043 0.000 0.987 561 E CA 0.400 56.751 56.400 -0.081 0.000 0.926 561 E CB 0.278 29.953 29.700 -0.043 0.000 0.934 561 E HN 0.507 nan 8.360 nan 0.000 0.452 562 D N 0.897 121.272 120.400 -0.041 0.000 2.946 562 D HA -0.267 4.560 4.640 0.311 0.000 0.202 562 D C 0.833 177.141 176.300 0.014 0.000 1.068 562 D CA 1.252 55.249 54.000 -0.004 0.000 1.011 562 D CB -1.295 39.513 40.800 0.013 0.000 1.105 562 D HN 0.521 nan 8.370 nan 0.000 0.425 563 A N 0.014 122.833 122.820 -0.002 0.000 1.929 563 A HA 0.147 4.653 4.320 0.311 0.000 0.216 563 A C 1.247 178.886 177.584 0.091 0.000 1.176 563 A CA 0.509 52.592 52.037 0.077 0.000 0.628 563 A CB 0.042 19.120 19.000 0.131 0.000 0.816 563 A HN 0.314 nan 8.150 nan 0.000 0.444 564 L N 1.044 122.255 121.223 -0.020 0.000 2.349 564 L HA 0.151 4.677 4.340 0.311 0.000 0.275 564 L C 0.079 176.982 176.870 0.056 0.000 1.115 564 L CA -0.677 54.171 54.840 0.013 0.000 0.820 564 L CB 0.508 42.535 42.059 -0.054 0.000 1.135 564 L HN 0.249 nan 8.230 nan 0.000 0.445 565 N N 3.946 122.688 118.700 0.070 0.000 2.406 565 N HA 0.088 5.015 4.740 0.311 0.000 0.265 565 N C 0.090 175.649 175.510 0.082 0.000 1.203 565 N CA 0.282 53.369 53.050 0.062 0.000 0.945 565 N CB 0.642 39.154 38.487 0.042 0.000 1.165 565 N HN 0.550 nan 8.380 nan 0.000 0.485 566 L N 2.573 123.844 121.223 0.080 0.000 2.808 566 L HA 0.149 4.676 4.340 0.311 0.000 0.246 566 L C 0.715 177.612 176.870 0.045 0.000 1.153 566 L CA -0.331 54.566 54.840 0.095 0.000 0.956 566 L CB -0.095 42.037 42.059 0.123 0.000 1.270 566 L HN 0.454 nan 8.230 nan 0.000 0.528 567 K N 0.309 120.728 120.400 0.031 0.000 2.401 567 K HA 0.398 4.904 4.320 0.311 0.000 0.278 567 K C 1.068 177.665 176.600 -0.005 0.000 1.018 567 K CA 0.659 56.956 56.287 0.016 0.000 0.981 567 K CB 0.795 33.307 32.500 0.020 0.000 0.933 567 K HN 0.085 nan 8.250 nan 0.000 0.477 568 G N 2.053 110.846 108.800 -0.012 0.000 2.217 568 G HA2 -0.272 3.875 3.960 0.311 0.000 0.246 568 G HA3 -0.272 3.875 3.960 0.311 0.000 0.246 568 G C 0.504 175.375 174.900 -0.048 0.000 0.990 568 G CA 0.373 45.456 45.100 -0.029 0.000 0.627 568 G HN 0.505 nan 8.290 nan 0.000 0.522 569 L N -0.382 120.811 121.223 -0.050 0.000 2.276 569 L HA 0.471 4.998 4.340 0.311 0.000 0.194 569 L C 2.649 179.497 176.870 -0.037 0.000 1.099 569 L CA 1.319 56.114 54.840 -0.074 0.000 0.800 569 L CB -0.920 41.075 42.059 -0.107 0.000 0.994 569 L HN 1.070 nan 8.230 nan 0.000 0.475 570 G N 1.357 110.153 108.800 -0.006 0.000 4.026 570 G HA2 -0.373 3.774 3.960 0.311 0.000 0.309 570 G HA3 -0.373 3.774 3.960 0.311 0.000 0.309 570 G C 0.177 175.089 174.900 0.019 0.000 1.411 570 G CA 0.341 45.446 45.100 0.008 0.000 1.037 570 G HN 0.547 nan 8.290 nan 0.000 0.687 571 D N 2.198 122.602 120.400 0.007 0.000 2.886 571 D HA 0.277 5.104 4.640 0.311 0.000 0.226 571 D C 0.829 177.150 176.300 0.035 0.000 1.117 571 D CA 0.771 54.781 54.000 0.017 0.000 1.121 571 D CB -0.953 39.850 40.800 0.004 0.000 1.186 571 D HN 1.242 nan 8.370 nan 0.000 0.440 572 V N -1.425 118.528 119.914 0.066 0.000 2.350 572 V HA 0.342 4.649 4.120 0.311 0.000 0.285 572 V C 0.077 176.243 176.094 0.120 0.000 1.014 572 V CA -1.239 61.134 62.300 0.122 0.000 0.831 572 V CB 1.414 33.355 31.823 0.196 0.000 1.000 572 V HN 0.071 nan 8.190 nan 0.000 0.433 573 N N 4.156 122.919 118.700 0.106 0.000 2.415 573 N HA 0.114 5.040 4.740 0.311 0.000 0.250 573 N C 0.992 176.570 175.510 0.113 0.000 1.127 573 N CA 0.353 53.456 53.050 0.088 0.000 0.945 573 N CB 1.727 40.252 38.487 0.063 0.000 1.196 573 N HN 0.840 nan 8.380 nan 0.000 0.499 574 V N 1.717 121.714 119.914 0.138 0.000 2.591 574 V HA -0.040 4.267 4.120 0.311 0.000 0.249 574 V C 1.653 177.866 176.094 0.198 0.000 1.053 574 V CA 1.137 63.568 62.300 0.218 0.000 1.068 574 V CB -0.514 31.437 31.823 0.214 0.000 0.689 574 V HN 0.467 nan 8.190 nan 0.000 0.462 575 E N 0.836 121.107 120.200 0.117 0.000 2.033 575 E HA -0.243 4.293 4.350 0.311 0.000 0.199 575 E C 2.299 178.946 176.600 0.079 0.000 1.011 575 E CA 2.199 58.652 56.400 0.089 0.000 0.815 575 E CB -0.271 29.464 29.700 0.058 0.000 0.755 575 E HN 0.738 nan 8.360 nan 0.000 0.451 576 E N 0.285 120.518 120.200 0.054 0.000 2.038 576 E HA -0.212 4.325 4.350 0.311 0.000 0.195 576 E C 2.163 178.757 176.600 -0.010 0.000 1.000 576 E CA 0.810 57.222 56.400 0.021 0.000 0.803 576 E CB -0.136 29.574 29.700 0.017 0.000 0.750 576 E HN 0.076 nan 8.360 nan 0.000 0.448 577 L N -0.250 120.962 121.223 -0.018 0.000 2.131 577 L HA -0.128 4.398 4.340 0.311 0.000 0.210 577 L C 1.429 178.073 176.870 -0.377 0.000 1.092 577 L CA 1.674 56.404 54.840 -0.184 0.000 0.759 577 L CB -0.133 41.812 42.059 -0.190 0.000 0.903 577 L HN 0.048 nan 8.230 nan 0.000 0.435 578 F N -0.844 119.087 119.950 -0.033 0.000 2.653 578 F HA 0.399 5.113 4.527 0.311 0.000 0.304 578 F C 1.515 177.306 175.800 -0.015 0.000 1.092 578 F CA -0.275 57.702 58.000 -0.038 0.000 1.279 578 F CB -0.529 38.429 39.000 -0.070 0.000 1.044 578 F HN -0.011 nan 8.300 nan 0.000 0.564 579 G N 1.614 110.480 108.800 0.110 0.000 2.353 579 G HA2 0.298 4.445 3.960 0.311 0.000 0.239 579 G HA3 0.298 4.445 3.960 0.311 0.000 0.239 579 G C -0.390 174.569 174.900 0.098 0.000 1.295 579 G CA -0.049 45.100 45.100 0.081 0.000 0.884 579 G HN 0.241 nan 8.290 nan 0.000 0.537 580 I N 1.637 122.275 120.570 0.113 0.000 2.448 580 I HA 0.188 4.545 4.170 0.311 0.000 0.281 580 I C 0.274 176.519 176.117 0.213 0.000 1.027 580 I CA -0.437 60.973 61.300 0.184 0.000 1.111 580 I CB 1.931 39.943 38.000 0.020 0.000 1.236 580 I HN 0.464 nan 8.210 nan 0.000 0.452 581 S N 5.785 121.682 115.700 0.328 0.000 2.475 581 S HA 0.214 4.871 4.470 0.311 0.000 0.281 581 S C 1.167 175.980 174.600 0.355 0.000 1.198 581 S CA -0.504 57.854 58.200 0.263 0.000 1.063 581 S CB 1.071 64.393 63.200 0.203 0.000 0.972 581 S HN 0.738 nan 8.310 nan 0.000 0.486 582 K N 3.489 124.019 120.400 0.216 0.000 2.059 582 K HA -0.219 4.287 4.320 0.311 0.000 0.212 582 K C 1.829 178.539 176.600 0.184 0.000 1.050 582 K CA 2.155 58.554 56.287 0.186 0.000 0.927 582 K CB -0.266 32.295 32.500 0.101 0.000 0.714 582 K HN 0.870 nan 8.250 nan 0.000 0.447 583 E N -0.549 119.737 120.200 0.144 0.000 2.058 583 E HA -0.226 4.311 4.350 0.311 0.000 0.194 583 E C 1.908 178.558 176.600 0.083 0.000 0.997 583 E CA 1.450 57.909 56.400 0.097 0.000 0.801 583 E CB -0.210 29.538 29.700 0.081 0.000 0.746 583 E HN 0.392 nan 8.360 nan 0.000 0.450 584 F N -0.575 119.359 119.950 -0.027 0.000 2.134 584 F HA -0.163 4.550 4.527 0.310 0.000 0.299 584 F C 1.565 177.204 175.800 -0.267 0.000 1.097 584 F CA 1.596 59.490 58.000 -0.177 0.000 1.264 584 F CB -0.339 38.504 39.000 -0.261 0.000 1.001 584 F HN 0.089 nan 8.300 nan 0.000 0.479 585 W N 1.038 122.377 121.300 0.066 0.000 2.436 585 W HA -0.020 4.826 4.660 0.310 0.000 0.284 585 W C 2.382 178.846 176.519 -0.093 0.000 1.225 585 W CA 1.183 58.512 57.345 -0.027 0.000 1.271 585 W CB -0.455 29.048 29.460 0.071 0.000 1.114 585 W HN 0.028 nan 8.180 nan 0.000 0.559 586 E N 0.553 120.817 120.200 0.107 0.000 2.038 586 E HA -0.292 4.244 4.350 0.311 0.000 0.195 586 E C 1.973 178.539 176.600 -0.057 0.000 1.000 586 E CA 1.596 58.016 56.400 0.034 0.000 0.803 586 E CB -0.234 29.481 29.700 0.026 0.000 0.750 586 E HN -0.007 nan 8.360 nan 0.000 0.448 587 K N 1.438 121.747 120.400 -0.153 0.000 2.044 587 K HA -0.265 4.242 4.320 0.311 0.000 0.210 587 K C 1.972 178.400 176.600 -0.288 0.000 1.049 587 K CA 1.927 58.076 56.287 -0.230 0.000 0.927 587 K CB -0.181 32.116 32.500 -0.338 0.000 0.713 587 K HN -0.069 nan 8.250 nan 0.000 0.443 588 E N -0.185 119.730 120.200 -0.474 0.000 2.051 588 E HA -0.111 4.425 4.350 0.311 0.000 0.192 588 E C 1.913 178.436 176.600 -0.128 0.000 0.991 588 E CA 1.379 57.492 56.400 -0.480 0.000 0.799 588 E CB -0.393 28.797 29.700 -0.850 0.000 0.748 588 E HN 0.139 nan 8.360 nan 0.000 0.449 589 V N 0.658 120.579 119.914 0.011 0.000 2.332 589 V HA -0.259 4.047 4.120 0.311 0.000 0.248 589 V C 2.351 178.487 176.094 0.070 0.000 1.055 589 V CA 2.223 64.591 62.300 0.113 0.000 1.038 589 V CB -0.507 31.397 31.823 0.135 0.000 0.651 589 V HN 0.352 nan 8.190 nan 0.000 0.450 590 E N -0.028 120.180 120.200 0.014 0.000 2.110 590 E HA -0.207 4.330 4.350 0.311 0.000 0.193 590 E C 2.134 178.752 176.600 0.030 0.000 0.988 590 E CA 1.333 57.742 56.400 0.014 0.000 0.804 590 E CB -0.146 29.546 29.700 -0.013 0.000 0.745 590 E HN 0.532 nan 8.360 nan 0.000 0.458 591 E N 0.155 120.360 120.200 0.009 0.000 2.072 591 E HA -0.107 4.430 4.350 0.311 0.000 0.190 591 E C 2.283 178.981 176.600 0.163 0.000 0.982 591 E CA 0.901 57.338 56.400 0.061 0.000 0.803 591 E CB -0.247 29.449 29.700 -0.007 0.000 0.755 591 E HN 0.437 nan 8.360 nan 0.000 0.453 592 I N 1.566 122.229 120.570 0.155 0.000 2.179 592 I HA -0.270 4.087 4.170 0.311 0.000 0.242 592 I C 2.403 178.640 176.117 0.200 0.000 1.088 592 I CA 1.301 62.733 61.300 0.220 0.000 1.357 592 I CB -0.298 37.827 38.000 0.207 0.000 1.051 592 I HN 0.024 nan 8.210 nan 0.000 0.409 593 D N 1.543 122.034 120.400 0.151 0.000 2.103 593 D HA -0.236 4.591 4.640 0.311 0.000 0.190 593 D C 2.116 178.460 176.300 0.073 0.000 0.997 593 D CA 1.734 55.797 54.000 0.105 0.000 0.833 593 D CB -0.058 40.785 40.800 0.071 0.000 0.961 593 D HN 0.217 nan 8.370 nan 0.000 0.447 594 K N -1.035 119.406 120.400 0.068 0.000 2.113 594 K HA -0.219 4.288 4.320 0.311 0.000 0.208 594 K C 2.318 178.938 176.600 0.033 0.000 1.047 594 K CA 1.328 57.642 56.287 0.045 0.000 0.928 594 K CB -0.359 32.170 32.500 0.049 0.000 0.716 594 K HN 0.313 nan 8.250 nan 0.000 0.446 595 Y N 1.471 121.708 120.300 -0.105 0.000 2.130 595 Y HA -0.134 4.601 4.550 0.308 0.000 0.287 595 Y C 1.849 177.666 175.900 -0.138 0.000 1.124 595 Y CA 1.271 59.230 58.100 -0.235 0.000 1.118 595 Y CB -0.281 37.797 38.460 -0.636 0.000 0.994 595 Y HN -0.113 nan 8.280 nan 0.000 0.497 596 L N 0.371 121.547 121.223 -0.078 0.000 2.046 596 L HA -0.203 4.324 4.340 0.311 0.000 0.208 596 L C 2.587 179.381 176.870 -0.127 0.000 1.077 596 L CA 1.881 56.651 54.840 -0.116 0.000 0.747 596 L CB -0.724 41.372 42.059 0.061 0.000 0.896 596 L HN 0.347 nan 8.230 nan 0.000 0.432 597 E N 0.473 120.631 120.200 -0.071 0.000 2.049 597 E HA -0.317 4.219 4.350 0.311 0.000 0.198 597 E C 1.769 178.311 176.600 -0.095 0.000 1.007 597 E CA 2.079 58.441 56.400 -0.063 0.000 0.809 597 E CB 0.008 29.689 29.700 -0.032 0.000 0.749 597 E HN 0.411 nan 8.360 nan 0.000 0.450 598 D N -0.521 119.807 120.400 -0.121 0.000 2.084 598 D HA -0.151 4.676 4.640 0.311 0.000 0.196 598 D C 2.049 178.242 176.300 -0.179 0.000 0.985 598 D CA 1.237 55.161 54.000 -0.126 0.000 0.826 598 D CB 0.016 40.752 40.800 -0.107 0.000 0.978 598 D HN 0.117 nan 8.370 nan 0.000 0.456 599 Q N -0.488 119.125 119.800 -0.312 0.000 2.212 599 Q HA 0.045 4.572 4.340 0.311 0.000 0.199 599 Q C 2.189 178.046 176.000 -0.237 0.000 0.950 599 Q CA 0.606 56.192 55.803 -0.361 0.000 0.863 599 Q CB 0.540 28.826 28.738 -0.754 0.000 0.944 599 Q HN 0.312 nan 8.270 nan 0.000 0.465 600 V N 0.149 119.937 119.914 -0.208 0.000 3.048 600 V HA 0.024 4.330 4.120 0.311 0.000 0.241 600 V C 1.191 177.219 176.094 -0.110 0.000 1.129 600 V CA 0.662 62.884 62.300 -0.130 0.000 1.128 600 V CB -0.379 31.369 31.823 -0.125 0.000 0.849 600 V HN 0.277 nan 8.190 nan 0.000 0.475 601 N N 1.252 119.891 118.700 -0.101 0.000 1.347 601 N HA -0.387 4.540 4.740 0.311 0.000 0.141 601 N C 1.165 176.641 175.510 -0.058 0.000 0.677 601 N CA 2.654 55.660 53.050 -0.074 0.000 1.016 601 N CB -1.543 36.898 38.487 -0.076 0.000 1.268 601 N HN 0.430 nan 8.380 nan 0.000 0.487 602 A N -0.667 122.121 122.820 -0.053 0.000 2.168 602 A HA 0.010 4.517 4.320 0.311 0.000 0.215 602 A C 1.173 178.734 177.584 -0.038 0.000 1.152 602 A CA 1.801 53.816 52.037 -0.038 0.000 0.716 602 A CB -0.266 18.712 19.000 -0.037 0.000 0.794 602 A HN 0.579 nan 8.150 nan 0.000 0.465 603 D N -0.762 119.603 120.400 -0.059 0.000 2.340 603 D HA 0.121 4.948 4.640 0.311 0.000 0.217 603 D C -0.045 176.205 176.300 -0.082 0.000 1.081 603 D CA -0.086 53.875 54.000 -0.066 0.000 0.842 603 D CB 0.144 40.893 40.800 -0.085 0.000 0.934 603 D HN 0.331 nan 8.370 nan 0.000 0.511 604 L N 2.496 123.678 121.223 -0.069 0.000 2.433 604 L HA 0.245 4.772 4.340 0.311 0.000 0.275 604 L C -2.330 174.533 176.870 -0.010 0.000 1.128 604 L CA -1.180 53.619 54.840 -0.068 0.000 0.875 604 L CB 0.445 42.476 42.059 -0.048 0.000 1.171 604 L HN -0.264 nan 8.230 nan 0.000 0.463 605 P HA 0.026 nan 4.420 nan 0.000 0.271 605 P C -0.033 177.345 177.300 0.129 0.000 1.218 605 P CA -0.018 63.127 63.100 0.074 0.000 0.780 605 P CB 0.342 32.090 31.700 0.080 0.000 0.901 606 Y N 2.070 122.388 120.300 0.030 0.000 2.165 606 Y HA -0.305 4.431 4.550 0.310 0.000 0.286 606 Y C 1.827 177.754 175.900 0.046 0.000 1.155 606 Y CA 1.928 60.047 58.100 0.032 0.000 1.164 606 Y CB -0.140 38.338 38.460 0.030 0.000 0.978 606 Y HN 0.394 nan 8.280 nan 0.000 0.513 607 E N -0.097 120.267 120.200 0.274 0.000 2.110 607 E HA -0.192 4.344 4.350 0.311 0.000 0.193 607 E C 2.006 178.667 176.600 0.102 0.000 0.988 607 E CA 1.468 57.985 56.400 0.195 0.000 0.804 607 E CB -0.221 29.611 29.700 0.220 0.000 0.745 607 E HN 0.437 nan 8.360 nan 0.000 0.458 608 I N 0.910 121.546 120.570 0.110 0.000 2.286 608 I HA -0.150 4.207 4.170 0.311 0.000 0.245 608 I C 2.302 178.473 176.117 0.090 0.000 1.104 608 I CA 1.110 62.502 61.300 0.153 0.000 1.397 608 I CB -1.000 37.094 38.000 0.157 0.000 1.072 608 I HN 0.179 nan 8.210 nan 0.000 0.417 609 E N 1.417 121.616 120.200 -0.002 0.000 2.118 609 E HA -0.257 4.280 4.350 0.311 0.000 0.195 609 E C 2.342 178.839 176.600 -0.171 0.000 0.992 609 E CA 1.159 57.509 56.400 -0.083 0.000 0.804 609 E CB -0.024 29.585 29.700 -0.152 0.000 0.741 609 E HN 0.374 nan 8.360 nan 0.000 0.458 610 R N 0.293 120.658 120.500 -0.226 0.000 2.075 610 R HA -0.123 4.404 4.340 0.311 0.000 0.232 610 R C 2.159 178.347 176.300 -0.187 0.000 1.126 610 R CA 1.413 57.380 56.100 -0.220 0.000 0.963 610 R CB 0.046 30.249 30.300 -0.162 0.000 0.858 610 R HN 0.034 nan 8.270 nan 0.000 0.435 611 E N 0.796 120.880 120.200 -0.194 0.000 2.077 611 E HA -0.212 4.325 4.350 0.311 0.000 0.193 611 E C 1.970 178.172 176.600 -0.664 0.000 0.989 611 E CA 0.878 57.051 56.400 -0.379 0.000 0.800 611 E CB -0.370 29.120 29.700 -0.351 0.000 0.746 611 E HN 0.254 nan 8.360 nan 0.000 0.452 612 L N 1.596 122.491 121.223 -0.547 0.000 1.989 612 L HA -0.210 4.317 4.340 0.311 0.000 0.211 612 L C 2.347 179.097 176.870 -0.200 0.000 1.071 612 L CA 1.871 56.520 54.840 -0.319 0.000 0.749 612 L CB -0.354 41.732 42.059 0.045 0.000 0.890 612 L HN -0.048 nan 8.230 nan 0.000 0.431 613 R N -0.574 119.829 120.500 -0.162 0.000 2.103 613 R HA -0.188 4.338 4.340 0.311 0.000 0.242 613 R C 2.233 178.452 176.300 -0.136 0.000 1.142 613 R CA 1.500 57.526 56.100 -0.124 0.000 0.960 613 R CB -0.780 29.446 30.300 -0.123 0.000 0.858 613 R HN 0.586 nan 8.270 nan 0.000 0.439 614 A N 1.096 123.808 122.820 -0.180 0.000 1.902 614 A HA -0.150 4.357 4.320 0.311 0.000 0.217 614 A C 2.075 179.545 177.584 -0.192 0.000 1.181 614 A CA 1.034 52.965 52.037 -0.177 0.000 0.623 614 A CB -0.441 18.442 19.000 -0.194 0.000 0.818 614 A HN 0.232 nan 8.150 nan 0.000 0.443 615 L N 0.014 121.094 121.223 -0.238 0.000 2.017 615 L HA -0.109 4.418 4.340 0.311 0.000 0.208 615 L C 2.257 179.069 176.870 -0.097 0.000 1.073 615 L CA 2.677 57.406 54.840 -0.186 0.000 0.745 615 L CB -0.734 41.227 42.059 -0.165 0.000 0.894 615 L HN 0.446 nan 8.230 nan 0.000 0.432 616 K N -1.037 119.323 120.400 -0.067 0.000 2.074 616 K HA -0.294 4.212 4.320 0.311 0.000 0.209 616 K C 2.263 178.839 176.600 -0.039 0.000 1.048 616 K CA 1.901 58.173 56.287 -0.025 0.000 0.926 616 K CB -0.171 32.318 32.500 -0.019 0.000 0.713 616 K HN 0.380 nan 8.250 nan 0.000 0.444 617 Q N 0.679 120.440 119.800 -0.065 0.000 2.050 617 Q HA -0.105 4.421 4.340 0.311 0.000 0.202 617 Q C 1.872 177.832 176.000 -0.067 0.000 0.980 617 Q CA 1.726 57.493 55.803 -0.061 0.000 0.840 617 Q CB 0.039 28.736 28.738 -0.068 0.000 0.898 617 Q HN 0.275 nan 8.270 nan 0.000 0.424 618 R N -0.378 120.065 120.500 -0.096 0.000 2.081 618 R HA -0.100 4.427 4.340 0.311 0.000 0.235 618 R C 2.125 178.374 176.300 -0.085 0.000 1.131 618 R CA 1.371 57.406 56.100 -0.108 0.000 0.960 618 R CB -0.437 29.765 30.300 -0.162 0.000 0.856 618 R HN 0.307 nan 8.270 nan 0.000 0.436 619 I N 1.296 121.826 120.570 -0.067 0.000 2.286 619 I HA -0.244 4.113 4.170 0.311 0.000 0.248 619 I C 2.561 178.677 176.117 -0.002 0.000 1.115 619 I CA 1.681 62.970 61.300 -0.019 0.000 1.392 619 I CB -1.403 36.624 38.000 0.045 0.000 1.065 619 I HN 0.213 nan 8.210 nan 0.000 0.418 620 S N 0.371 116.065 115.700 -0.010 0.000 2.442 620 S HA -0.160 4.497 4.470 0.311 0.000 0.236 620 S C 1.637 176.231 174.600 -0.010 0.000 1.007 620 S CA 0.746 58.943 58.200 -0.005 0.000 0.965 620 S CB -0.223 62.971 63.200 -0.010 0.000 0.773 620 S HN 0.433 nan 8.310 nan 0.000 0.504 621 Q N 0.333 120.120 119.800 -0.022 0.000 2.392 621 Q HA 0.384 4.911 4.340 0.311 0.000 0.203 621 Q C 0.710 176.699 176.000 -0.019 0.000 0.917 621 Q CA 0.058 55.847 55.803 -0.023 0.000 0.939 621 Q CB -0.253 28.465 28.738 -0.034 0.000 1.063 621 Q HN 0.652 nan 8.270 nan 0.000 0.516 622 M N 0.000 119.591 119.600 -0.015 0.000 2.572 622 M HA 0.000 4.667 4.480 0.311 0.000 0.227 622 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 622 M CB 0.000 32.602 32.600 0.004 0.000 1.302 622 M HN 0.000 nan 8.290 nan 0.000 0.411