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 5bca_1_C DATA FIRST_RESID 1 DATA SEQUENCE AVNGKGMNPD YKAYLMAPLK KIPEVTNWET FENDLRWAKQ NGFYAITVDF DATA SEQUENCE WWGDMEKNGD QQFDFSYAQR FAQSVKNAGM KMIPIISTHQ cGGNVGDDcN DATA SEQUENCE VPIPSWVWNQ KSDDSLYFKS ETGTVNKETL NPLASDVIRK EYGELYTAFA DATA SEQUENCE AAMKPYKDVI AKIYLSGGPA GELRYPSYTT SDGTGYPSRG KFQAYTEFAK DATA SEQUENCE SKFRLWVLNK YGSLNEVNKA WGTKLISELA ILPPSDGEQF LMNGYLSMYG DATA SEQUENCE KDYLEWYQGI LENHTKLIGE LAHNAFDTTF QVPIGAKIAG VHWQYNNPTI DATA SEQUENCE PHGAEKPAGY NDYSHLLDAF KSAKLDVTFT CLEMTDKGSY PEYSMPKTLV DATA SEQUENCE QNIATLANEK GIVLNGENAL SIGNEEEYKR VAEMAFNYNF AGFTLLRYQD DATA SEQUENCE VMYNNSLMGK FKDLLGVTPV MQTIVVKNVP TTIGDTVYIT GNRAELGSWD DATA SEQUENCE TKQYPIQLYY DSHSNDWRGN VVLPAERNIE FKAFIKSKDG TVKSWQTIQQ DATA SEQUENCE SWNPVPLKTT SHTSSW 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.572 177.584 -0.020 0.000 1.274 1 A CA 0.000 51.969 52.037 -0.113 0.000 0.836 1 A CB 0.000 18.928 19.000 -0.120 0.000 0.831 2 V N 2.357 122.209 119.914 -0.103 0.000 2.752 2 V HA 0.043 4.163 4.120 -0.001 0.000 0.306 2 V C 0.742 176.852 176.094 0.028 0.000 1.099 2 V CA 1.676 63.962 62.300 -0.022 0.000 1.240 2 V CB -0.231 31.479 31.823 -0.188 0.000 0.887 2 V HN 1.110 nan 8.190 nan 0.000 0.499 3 N N 3.505 122.248 118.700 0.072 0.000 2.725 3 N HA -0.217 4.522 4.740 -0.001 0.000 0.249 3 N C 1.024 176.600 175.510 0.110 0.000 1.103 3 N CA 1.694 54.796 53.050 0.086 0.000 0.707 3 N CB -1.436 37.090 38.487 0.065 0.000 1.043 3 N HN 1.491 nan 8.380 nan 0.000 0.553 4 G N -1.341 107.544 108.800 0.141 0.000 2.184 4 G HA2 -0.413 3.546 3.960 -0.001 0.000 0.264 4 G HA3 -0.413 3.546 3.960 -0.001 0.000 0.264 4 G C 0.295 175.255 174.900 0.100 0.000 0.975 4 G CA 1.450 46.647 45.100 0.160 0.000 0.642 4 G HN 0.885 nan 8.290 nan 0.000 0.536 5 K N -0.156 120.286 120.400 0.071 0.000 2.419 5 K HA 0.788 5.107 4.320 -0.001 0.000 0.246 5 K C 0.905 177.513 176.600 0.013 0.000 1.037 5 K CA -0.355 55.959 56.287 0.045 0.000 0.982 5 K CB 0.848 33.371 32.500 0.037 0.000 1.283 5 K HN 0.535 nan 8.250 nan 0.000 0.500 6 G N -0.290 108.506 108.800 -0.008 0.000 3.075 6 G HA2 0.400 4.360 3.960 -0.001 0.000 0.253 6 G HA3 0.400 4.360 3.960 -0.001 0.000 0.253 6 G C -0.413 174.461 174.900 -0.044 0.000 1.353 6 G CA -1.288 43.785 45.100 -0.044 0.000 1.051 6 G HN 0.806 nan 8.290 nan 0.000 0.553 7 M N 0.316 119.868 119.600 -0.080 0.000 2.252 7 M HA 0.221 4.701 4.480 -0.001 0.000 0.333 7 M C 0.045 176.344 176.300 -0.002 0.000 1.111 7 M CA -0.382 54.890 55.300 -0.047 0.000 1.140 7 M CB 0.365 32.827 32.600 -0.230 0.000 1.538 7 M HN 0.386 nan 8.290 nan 0.000 0.448 8 N N 4.184 122.939 118.700 0.092 0.000 2.468 8 N HA 0.129 4.868 4.740 -0.001 0.000 0.265 8 N C -1.777 173.783 175.510 0.084 0.000 1.199 8 N CA -1.493 51.619 53.050 0.102 0.000 0.928 8 N CB 0.856 39.445 38.487 0.170 0.000 1.059 8 N HN 0.521 nan 8.380 nan 0.000 0.467 9 P HA -0.073 nan 4.420 nan 0.000 0.222 9 P C -0.093 177.227 177.300 0.032 0.000 1.147 9 P CA 1.105 64.215 63.100 0.016 0.000 0.790 9 P CB 0.403 32.102 31.700 -0.001 0.000 0.780 10 D N -1.623 118.806 120.400 0.049 0.000 2.328 10 D HA -0.039 4.600 4.640 -0.001 0.000 0.226 10 D C 0.635 176.951 176.300 0.027 0.000 1.066 10 D CA -0.222 53.789 54.000 0.020 0.000 0.861 10 D CB -0.766 40.040 40.800 0.011 0.000 0.912 10 D HN 0.247 nan 8.370 nan 0.000 0.521 11 Y N 2.671 122.963 120.300 -0.012 0.000 2.712 11 Y HA -0.018 4.532 4.550 -0.001 0.000 0.333 11 Y C 0.169 176.016 175.900 -0.090 0.000 1.225 11 Y CA 0.251 58.357 58.100 0.010 0.000 1.499 11 Y CB 0.341 38.870 38.460 0.116 0.000 1.288 11 Y HN -0.309 nan 8.280 nan 0.000 0.575 12 K N 4.468 124.336 120.400 -0.887 0.000 2.512 12 K HA 0.770 5.090 4.320 -0.001 0.000 0.263 12 K C -1.456 174.365 176.600 -1.297 0.000 0.966 12 K CA -0.802 54.953 56.287 -0.886 0.000 0.851 12 K CB 1.882 33.909 32.500 -0.789 0.000 1.395 12 K HN 0.628 nan 8.250 nan 0.000 0.440 13 A N 1.305 123.639 122.820 -0.810 0.000 2.337 13 A HA 0.792 5.111 4.320 -0.001 0.000 0.329 13 A C -1.469 175.874 177.584 -0.401 0.000 1.146 13 A CA -0.516 51.226 52.037 -0.492 0.000 0.800 13 A CB 0.549 19.514 19.000 -0.058 0.000 1.220 13 A HN 0.540 nan 8.150 nan 0.000 0.472 14 Y N 0.185 120.660 120.300 0.293 0.000 2.562 14 Y HA 0.655 5.205 4.550 -0.001 0.000 0.343 14 Y C -0.370 175.654 175.900 0.206 0.000 1.025 14 Y CA -1.269 56.999 58.100 0.281 0.000 1.082 14 Y CB 1.762 40.289 38.460 0.113 0.000 1.264 14 Y HN 0.591 nan 8.280 nan 0.000 0.478 15 L N 2.849 124.115 121.223 0.072 0.000 2.322 15 L HA 0.617 4.956 4.340 -0.001 0.000 0.281 15 L C -0.832 175.985 176.870 -0.088 0.000 1.014 15 L CA -0.923 53.709 54.840 -0.348 0.000 0.815 15 L CB 1.172 42.613 42.059 -1.029 0.000 1.247 15 L HN 0.661 nan 8.230 nan 0.000 0.421 16 M N 4.609 124.174 119.600 -0.059 0.000 2.185 16 M HA 0.550 5.029 4.480 -0.001 0.000 0.357 16 M C 0.087 176.429 176.300 0.070 0.000 1.260 16 M CA -0.347 54.949 55.300 -0.007 0.000 1.124 16 M CB 0.783 33.369 32.600 -0.024 0.000 1.600 16 M HN 0.758 nan 8.290 nan 0.000 0.467 17 A N 7.058 129.920 122.820 0.069 0.000 2.425 17 A HA 0.561 4.881 4.320 -0.001 0.000 0.242 17 A C -2.328 175.265 177.584 0.016 0.000 1.077 17 A CA -0.995 51.086 52.037 0.073 0.000 0.781 17 A CB -1.032 17.991 19.000 0.038 0.000 1.020 17 A HN 0.671 nan 8.150 nan 0.000 0.494 18 P HA 0.071 nan 4.420 nan 0.000 0.270 18 P C 0.630 177.940 177.300 0.017 0.000 1.227 18 P CA -0.402 62.684 63.100 -0.023 0.000 0.788 18 P CB 0.348 31.982 31.700 -0.110 0.000 0.926 19 L N -0.004 121.248 121.223 0.049 0.000 2.162 19 L HA 0.038 4.377 4.340 -0.001 0.000 0.205 19 L C 0.814 177.722 176.870 0.063 0.000 1.086 19 L CA 1.619 56.520 54.840 0.102 0.000 0.778 19 L CB -1.017 41.088 42.059 0.077 0.000 0.928 19 L HN 0.306 nan 8.230 nan 0.000 0.446 20 K N 0.507 120.905 120.400 -0.003 0.000 2.218 20 K HA 0.157 4.477 4.320 -0.001 0.000 0.276 20 K C 0.111 176.675 176.600 -0.061 0.000 1.022 20 K CA -0.499 55.762 56.287 -0.044 0.000 0.946 20 K CB 0.732 33.194 32.500 -0.063 0.000 1.000 20 K HN -0.085 nan 8.250 nan 0.000 0.468 21 K N 1.957 122.296 120.400 -0.103 0.000 2.527 21 K HA -0.079 4.241 4.320 -0.001 0.000 0.278 21 K C 1.379 177.900 176.600 -0.133 0.000 0.981 21 K CA -0.359 55.841 56.287 -0.145 0.000 1.009 21 K CB 0.299 32.578 32.500 -0.369 0.000 0.895 21 K HN 0.440 nan 8.250 nan 0.000 0.493 22 I N 4.356 124.856 120.570 -0.116 0.000 2.091 22 I HA -0.241 3.929 4.170 -0.001 0.000 0.240 22 I C -0.825 174.991 176.117 -0.502 0.000 1.046 22 I CA 1.635 62.631 61.300 -0.506 0.000 1.306 22 I CB -2.005 35.319 38.000 -1.127 0.000 1.018 22 I HN 0.606 nan 8.210 nan 0.000 0.404 23 P HA -0.130 nan 4.420 nan 0.000 0.226 23 P C 1.393 178.575 177.300 -0.197 0.000 1.146 23 P CA 1.196 64.062 63.100 -0.389 0.000 0.773 23 P CB -0.021 31.522 31.700 -0.261 0.000 0.772 24 E N -1.369 118.732 120.200 -0.165 0.000 2.170 24 E HA -0.023 4.326 4.350 -0.001 0.000 0.191 24 E C 1.562 178.105 176.600 -0.096 0.000 0.981 24 E CA 0.551 56.886 56.400 -0.108 0.000 0.830 24 E CB -0.117 29.525 29.700 -0.098 0.000 0.775 24 E HN 0.027 nan 8.360 nan 0.000 0.470 25 V N 0.091 119.934 119.914 -0.118 0.000 3.565 25 V HA 0.092 4.211 4.120 -0.001 0.000 0.260 25 V C 0.288 176.355 176.094 -0.044 0.000 1.231 25 V CA 1.216 63.471 62.300 -0.075 0.000 1.100 25 V CB 0.632 32.409 31.823 -0.077 0.000 0.807 25 V HN 0.294 nan 8.190 nan 0.000 0.454 26 T N -0.829 113.673 114.554 -0.086 0.000 2.663 26 T HA 0.321 4.670 4.350 -0.001 0.000 0.297 26 T C -1.338 173.284 174.700 -0.130 0.000 1.505 26 T CA -0.581 61.494 62.100 -0.041 0.000 1.024 26 T CB 1.417 70.318 68.868 0.055 0.000 1.865 26 T HN 0.321 nan 8.240 nan 0.000 0.453 27 N N -1.475 117.181 118.700 -0.074 0.000 2.321 27 N HA 0.466 5.205 4.740 -0.001 0.000 0.290 27 N C -0.188 175.327 175.510 0.008 0.000 1.212 27 N CA -1.235 51.759 53.050 -0.093 0.000 0.767 27 N CB 0.867 39.363 38.487 0.015 0.000 1.494 27 N HN 0.771 nan 8.380 nan 0.000 0.479 28 W N -0.050 121.303 121.300 0.089 0.000 2.363 28 W HA -0.043 4.617 4.660 -0.000 0.000 0.296 28 W C 1.550 178.159 176.519 0.151 0.000 1.212 28 W CA 0.626 58.043 57.345 0.120 0.000 1.260 28 W CB 0.036 29.533 29.460 0.061 0.000 1.131 28 W HN 0.676 nan 8.180 nan 0.000 0.530 29 E N -0.443 119.952 120.200 0.324 0.000 2.031 29 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 29 E C 2.067 178.768 176.600 0.168 0.000 0.994 29 E CA 2.290 58.810 56.400 0.200 0.000 0.800 29 E CB -0.757 29.031 29.700 0.148 0.000 0.752 29 E HN 0.035 nan 8.360 nan 0.000 0.447 30 T N 0.570 115.224 114.554 0.167 0.000 2.708 30 T HA -0.162 4.188 4.350 -0.001 0.000 0.266 30 T C 1.475 176.298 174.700 0.205 0.000 1.037 30 T CA 1.139 63.331 62.100 0.154 0.000 1.146 30 T CB -0.461 68.492 68.868 0.142 0.000 0.865 30 T HN 0.148 nan 8.240 nan 0.000 0.435 31 F N 2.212 122.222 119.950 0.100 0.000 2.115 31 F HA -0.177 4.350 4.527 -0.001 0.000 0.300 31 F C 2.153 178.022 175.800 0.115 0.000 1.092 31 F CA 1.552 59.620 58.000 0.113 0.000 1.245 31 F CB -0.430 38.608 39.000 0.063 0.000 0.995 31 F HN 0.261 nan 8.300 nan 0.000 0.481 32 E N -0.243 119.993 120.200 0.059 0.000 2.077 32 E HA -0.217 4.132 4.350 -0.001 0.000 0.193 32 E C 2.001 178.555 176.600 -0.075 0.000 0.989 32 E CA 1.199 57.550 56.400 -0.081 0.000 0.800 32 E CB -0.296 29.423 29.700 0.031 0.000 0.746 32 E HN 0.473 nan 8.360 nan 0.000 0.452 33 N N 1.242 119.940 118.700 -0.003 0.000 2.120 33 N HA -0.142 4.598 4.740 -0.001 0.000 0.188 33 N C 1.307 176.822 175.510 0.009 0.000 1.024 33 N CA 1.116 54.168 53.050 0.003 0.000 0.852 33 N CB -0.262 38.230 38.487 0.009 0.000 1.003 33 N HN 0.154 nan 8.380 nan 0.000 0.424 34 D N 1.092 121.496 120.400 0.006 0.000 2.149 34 D HA -0.090 4.550 4.640 -0.001 0.000 0.198 34 D C 2.097 178.358 176.300 -0.065 0.000 0.990 34 D CA 0.547 54.553 54.000 0.010 0.000 0.839 34 D CB -0.275 40.544 40.800 0.032 0.000 0.948 34 D HN 0.286 nan 8.370 nan 0.000 0.460 35 L N -0.131 120.973 121.223 -0.198 0.000 2.240 35 L HA -0.001 4.339 4.340 -0.001 0.000 0.211 35 L C 2.506 179.329 176.870 -0.079 0.000 1.106 35 L CA 0.584 55.292 54.840 -0.221 0.000 0.793 35 L CB -0.136 41.690 42.059 -0.388 0.000 0.927 35 L HN -0.095 nan 8.230 nan 0.000 0.446 36 R N -0.480 120.007 120.500 -0.022 0.000 2.066 36 R HA -0.202 4.138 4.340 -0.001 0.000 0.232 36 R C 2.208 178.595 176.300 0.144 0.000 1.131 36 R CA 1.919 58.047 56.100 0.045 0.000 0.955 36 R CB -0.463 29.867 30.300 0.050 0.000 0.851 36 R HN 0.457 nan 8.270 nan 0.000 0.432 37 W N 1.058 122.321 121.300 -0.062 0.000 2.304 37 W HA -0.330 4.329 4.660 -0.001 0.000 0.315 37 W C 1.927 178.437 176.519 -0.016 0.000 1.233 37 W CA 1.231 58.548 57.345 -0.047 0.000 1.261 37 W CB -0.139 29.272 29.460 -0.080 0.000 1.150 37 W HN 0.226 nan 8.180 nan 0.000 0.494 38 A N 0.772 123.576 122.820 -0.026 0.000 1.908 38 A HA -0.293 4.026 4.320 -0.001 0.000 0.218 38 A C 1.995 179.631 177.584 0.086 0.000 1.181 38 A CA 2.186 54.171 52.037 -0.087 0.000 0.627 38 A CB -1.037 17.849 19.000 -0.190 0.000 0.818 38 A HN 0.464 nan 8.150 nan 0.000 0.445 39 K N -0.606 119.832 120.400 0.064 0.000 2.155 39 K HA -0.142 4.178 4.320 -0.001 0.000 0.203 39 K C 2.049 178.675 176.600 0.044 0.000 1.052 39 K CA 1.460 57.795 56.287 0.082 0.000 0.948 39 K CB -0.199 32.331 32.500 0.049 0.000 0.728 39 K HN 0.477 nan 8.250 nan 0.000 0.448 40 Q N 0.796 120.618 119.800 0.037 0.000 2.181 40 Q HA -0.065 4.275 4.340 -0.001 0.000 0.205 40 Q C 0.948 176.907 176.000 -0.067 0.000 0.980 40 Q CA 1.459 57.282 55.803 0.033 0.000 0.862 40 Q CB 0.134 28.963 28.738 0.152 0.000 0.905 40 Q HN 0.347 nan 8.270 nan 0.000 0.429 41 N N -1.452 117.149 118.700 -0.165 0.000 2.313 41 N HA 0.089 4.829 4.740 -0.001 0.000 0.207 41 N C 0.237 175.648 175.510 -0.164 0.000 1.141 41 N CA 0.826 53.743 53.050 -0.222 0.000 0.830 41 N CB 1.263 39.524 38.487 -0.377 0.000 1.008 41 N HN 0.408 nan 8.380 nan 0.000 0.481 42 G N 0.485 109.228 108.800 -0.096 0.000 2.194 42 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.236 42 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.236 42 G C -0.072 174.764 174.900 -0.108 0.000 0.987 42 G CA -0.475 44.563 45.100 -0.103 0.000 0.635 42 G HN 0.246 nan 8.290 nan 0.000 0.520 43 F N 0.072 120.049 119.950 0.046 0.000 2.443 43 F HA 0.556 5.083 4.527 -0.001 0.000 0.353 43 F C 1.379 177.242 175.800 0.106 0.000 1.101 43 F CA -0.457 57.580 58.000 0.061 0.000 1.226 43 F CB 0.628 39.622 39.000 -0.009 0.000 1.140 43 F HN 0.042 nan 8.300 nan 0.000 0.557 44 Y N 2.348 122.751 120.300 0.171 0.000 2.286 44 Y HA 0.377 4.926 4.550 -0.001 0.000 0.293 44 Y C 0.754 176.783 175.900 0.216 0.000 1.124 44 Y CA 0.725 58.915 58.100 0.150 0.000 1.178 44 Y CB 0.056 38.581 38.460 0.109 0.000 1.010 44 Y HN 0.552 nan 8.280 nan 0.000 0.536 45 A N -0.538 122.502 122.820 0.367 0.000 2.586 45 A HA 0.478 4.797 4.320 -0.001 0.000 0.290 45 A C -1.899 175.819 177.584 0.224 0.000 1.086 45 A CA -0.664 51.506 52.037 0.221 0.000 0.665 45 A CB 0.207 19.332 19.000 0.210 0.000 1.279 45 A HN 0.147 nan 8.150 nan 0.000 0.423 46 I N 0.929 121.588 120.570 0.148 0.000 2.392 46 I HA 0.558 4.728 4.170 -0.001 0.000 0.295 46 I C -0.380 175.801 176.117 0.106 0.000 0.985 46 I CA -0.002 61.392 61.300 0.156 0.000 1.221 46 I CB 1.703 39.868 38.000 0.275 0.000 1.366 46 I HN 0.636 nan 8.210 nan 0.000 0.467 47 T N 6.967 121.545 114.554 0.040 0.000 2.795 47 T HA 0.503 4.853 4.350 -0.001 0.000 0.282 47 T C -0.880 173.734 174.700 -0.143 0.000 0.980 47 T CA -0.406 61.657 62.100 -0.063 0.000 1.012 47 T CB 1.467 70.305 68.868 -0.050 0.000 0.936 47 T HN 0.418 nan 8.240 nan 0.000 0.457 48 V N 3.339 123.052 119.914 -0.335 0.000 2.777 48 V HA 0.366 4.485 4.120 -0.001 0.000 0.306 48 V C -1.455 174.149 176.094 -0.816 0.000 1.112 48 V CA -0.921 61.022 62.300 -0.595 0.000 0.917 48 V CB 2.131 33.371 31.823 -0.970 0.000 1.018 48 V HN 0.873 nan 8.190 nan 0.000 0.426 49 D N 5.460 125.396 120.400 -0.773 0.000 2.350 49 D HA 0.316 4.956 4.640 -0.001 0.000 0.249 49 D C -1.112 174.487 176.300 -1.169 0.000 1.119 49 D CA 0.445 53.847 54.000 -0.996 0.000 0.886 49 D CB 1.364 41.338 40.800 -1.376 0.000 1.195 49 D HN 0.393 nan 8.370 nan 0.000 0.437 50 F N 1.646 121.162 119.950 -0.722 0.000 2.382 50 F HA 0.254 4.780 4.527 -0.001 0.000 0.361 50 F C -0.303 175.224 175.800 -0.455 0.000 1.109 50 F CA -1.102 56.628 58.000 -0.451 0.000 1.031 50 F CB 0.526 39.364 39.000 -0.271 0.000 1.234 50 F HN 0.211 nan 8.300 nan 0.000 0.445 51 W N 3.682 125.065 121.300 0.138 0.000 2.266 51 W HA 0.116 4.776 4.660 -0.000 0.000 0.317 51 W C 1.019 177.647 176.519 0.182 0.000 1.310 51 W CA -0.558 56.824 57.345 0.062 0.000 1.207 51 W CB 0.454 29.912 29.460 -0.002 0.000 1.199 51 W HN 0.651 nan 8.180 nan 0.000 0.544 52 W N 2.874 124.269 121.300 0.158 0.000 2.325 52 W HA -0.188 4.472 4.660 -0.001 0.000 0.299 52 W C 1.884 178.481 176.519 0.130 0.000 1.215 52 W CA 2.227 59.640 57.345 0.113 0.000 1.244 52 W CB -1.038 28.441 29.460 0.032 0.000 1.140 52 W HN 0.510 nan 8.180 nan 0.000 0.523 53 G N -0.157 108.776 108.800 0.222 0.000 2.475 53 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.220 53 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.220 53 G C 1.215 176.169 174.900 0.089 0.000 1.125 53 G CA 1.432 46.549 45.100 0.028 0.000 0.755 53 G HN 0.246 nan 8.290 nan 0.000 0.565 54 D N -0.344 120.177 120.400 0.200 0.000 2.240 54 D HA 0.105 4.744 4.640 -0.001 0.000 0.206 54 D C 2.644 179.047 176.300 0.171 0.000 0.963 54 D CA 0.424 54.527 54.000 0.172 0.000 0.863 54 D CB -0.015 40.923 40.800 0.229 0.000 0.973 54 D HN 0.318 nan 8.370 nan 0.000 0.501 55 M N -0.340 119.401 119.600 0.235 0.000 2.357 55 M HA 0.049 4.529 4.480 -0.001 0.000 0.266 55 M C 0.957 177.393 176.300 0.227 0.000 1.095 55 M CA 0.809 56.215 55.300 0.178 0.000 1.156 55 M CB 0.427 33.191 32.600 0.274 0.000 1.365 55 M HN -0.204 nan 8.290 nan 0.000 0.447 56 E N 0.807 121.229 120.200 0.370 0.000 3.582 56 E HA 0.063 4.412 4.350 -0.001 0.000 0.217 56 E C 0.766 177.549 176.600 0.305 0.000 1.092 56 E CA -0.137 56.465 56.400 0.336 0.000 1.365 56 E CB 0.590 30.689 29.700 0.666 0.000 1.278 56 E HN 0.197 nan 8.360 nan 0.000 0.439 57 K N 0.695 121.197 120.400 0.170 0.000 1.967 57 K HA -0.097 4.223 4.320 -0.001 0.000 0.212 57 K C 1.268 177.991 176.600 0.205 0.000 1.044 57 K CA 1.822 58.195 56.287 0.144 0.000 0.942 57 K CB 0.051 32.592 32.500 0.068 0.000 0.726 57 K HN 0.224 nan 8.250 nan 0.000 0.440 58 N N -0.335 118.408 118.700 0.072 0.000 2.348 58 N HA -0.058 4.681 4.740 -0.001 0.000 0.185 58 N C 0.529 175.964 175.510 -0.124 0.000 1.019 58 N CA 0.613 53.664 53.050 0.003 0.000 0.880 58 N CB 0.147 38.602 38.487 -0.052 0.000 0.965 58 N HN 0.380 nan 8.380 nan 0.000 0.437 59 G N -0.123 108.425 108.800 -0.420 0.000 2.313 59 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.296 59 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.296 59 G C -2.073 171.854 174.900 -1.623 0.000 1.356 59 G CA -0.876 43.490 45.100 -1.224 0.000 0.833 59 G HN -0.042 nan 8.290 nan 0.000 0.552 60 D N 0.808 120.078 120.400 -1.884 0.000 2.487 60 D HA 0.310 4.949 4.640 -0.001 0.000 0.243 60 D C 1.082 176.966 176.300 -0.693 0.000 1.154 60 D CA 0.983 54.194 54.000 -1.315 0.000 0.876 60 D CB 0.464 40.748 40.800 -0.861 0.000 1.161 60 D HN 0.483 nan 8.370 nan 0.000 0.478 61 Q N 1.292 120.715 119.800 -0.629 0.000 2.452 61 Q HA -0.270 4.070 4.340 -0.001 0.000 0.248 61 Q C -0.594 174.910 176.000 -0.828 0.000 0.874 61 Q CA 0.889 56.251 55.803 -0.734 0.000 1.208 61 Q CB -1.848 26.748 28.738 -0.237 0.000 1.569 61 Q HN 0.750 nan 8.270 nan 0.000 0.579 62 Q N 0.331 119.675 119.800 -0.759 0.000 2.490 62 Q HA 0.440 4.780 4.340 -0.001 0.000 0.226 62 Q C -0.472 175.263 176.000 -0.441 0.000 1.132 62 Q CA -0.081 55.447 55.803 -0.458 0.000 0.928 62 Q CB 0.267 28.816 28.738 -0.315 0.000 1.299 62 Q HN 0.030 nan 8.270 nan 0.000 0.528 63 F N 0.998 120.898 119.950 -0.083 0.000 2.399 63 F HA 0.306 4.833 4.527 -0.001 0.000 0.328 63 F C 0.446 176.076 175.800 -0.284 0.000 1.084 63 F CA -1.073 56.777 58.000 -0.251 0.000 1.053 63 F CB 1.272 40.077 39.000 -0.325 0.000 1.209 63 F HN 0.279 nan 8.300 nan 0.000 0.502 64 D N 1.801 122.082 120.400 -0.198 0.000 2.358 64 D HA 0.236 4.875 4.640 -0.001 0.000 0.253 64 D C -0.785 175.414 176.300 -0.168 0.000 1.288 64 D CA -0.252 53.688 54.000 -0.100 0.000 0.950 64 D CB 0.199 41.004 40.800 0.009 0.000 1.197 64 D HN 0.222 nan 8.370 nan 0.000 0.550 65 F N 1.300 121.341 119.950 0.152 0.000 2.639 65 F HA 0.092 4.619 4.527 -0.001 0.000 0.300 65 F C 2.368 178.183 175.800 0.026 0.000 1.109 65 F CA -0.133 57.910 58.000 0.071 0.000 1.335 65 F CB 0.101 39.105 39.000 0.007 0.000 1.014 65 F HN 0.282 nan 8.300 nan 0.000 0.537 66 S N -0.875 114.940 115.700 0.191 0.000 2.383 66 S HA -0.277 4.193 4.470 -0.001 0.000 0.227 66 S C 2.036 176.714 174.600 0.130 0.000 1.026 66 S CA 1.021 59.303 58.200 0.137 0.000 0.981 66 S CB -0.995 62.284 63.200 0.132 0.000 0.818 66 S HN 0.492 nan 8.310 nan 0.000 0.472 67 Y N 2.771 123.139 120.300 0.113 0.000 2.133 67 Y HA 0.126 4.675 4.550 -0.001 0.000 0.287 67 Y C 2.666 178.649 175.900 0.140 0.000 1.134 67 Y CA 0.952 59.167 58.100 0.191 0.000 1.133 67 Y CB -1.042 37.573 38.460 0.259 0.000 0.987 67 Y HN 0.297 nan 8.280 nan 0.000 0.502 68 A N 0.192 122.984 122.820 -0.047 0.000 1.978 68 A HA -0.271 4.049 4.320 -0.001 0.000 0.220 68 A C 2.098 179.441 177.584 -0.400 0.000 1.170 68 A CA 2.119 53.833 52.037 -0.539 0.000 0.636 68 A CB -0.709 17.790 19.000 -0.835 0.000 0.810 68 A HN 0.712 nan 8.150 nan 0.000 0.448 69 Q N -1.648 117.965 119.800 -0.313 0.000 2.137 69 Q HA -0.103 4.236 4.340 -0.001 0.000 0.198 69 Q C 2.324 178.026 176.000 -0.497 0.000 0.960 69 Q CA 1.232 56.749 55.803 -0.476 0.000 0.847 69 Q CB -0.076 28.537 28.738 -0.209 0.000 0.915 69 Q HN 0.537 nan 8.270 nan 0.000 0.448 70 R N 0.342 120.621 120.500 -0.369 0.000 2.115 70 R HA -0.129 4.211 4.340 -0.001 0.000 0.230 70 R C 1.659 177.508 176.300 -0.751 0.000 1.111 70 R CA 1.119 56.898 56.100 -0.534 0.000 0.976 70 R CB -0.556 29.457 30.300 -0.478 0.000 0.870 70 R HN 0.220 nan 8.270 nan 0.000 0.445 71 F N 0.435 119.981 119.950 -0.673 0.000 2.060 71 F HA -0.008 4.519 4.527 -0.001 0.000 0.295 71 F C 2.061 177.738 175.800 -0.206 0.000 1.120 71 F CA 1.739 59.511 58.000 -0.379 0.000 1.205 71 F CB -0.910 38.009 39.000 -0.134 0.000 0.986 71 F HN 0.106 nan 8.300 nan 0.000 0.470 72 A N -0.235 122.608 122.820 0.039 0.000 1.948 72 A HA -0.312 4.007 4.320 -0.001 0.000 0.220 72 A C 2.087 179.582 177.584 -0.149 0.000 1.177 72 A CA 2.004 54.002 52.037 -0.065 0.000 0.636 72 A CB -1.074 17.675 19.000 -0.418 0.000 0.815 72 A HN 0.568 nan 8.150 nan 0.000 0.449 73 Q N 0.119 119.736 119.800 -0.304 0.000 2.061 73 Q HA -0.128 4.211 4.340 -0.001 0.000 0.204 73 Q C 2.266 178.206 176.000 -0.099 0.000 0.984 73 Q CA 2.406 58.127 55.803 -0.136 0.000 0.846 73 Q CB -0.646 27.981 28.738 -0.186 0.000 0.902 73 Q HN 0.524 nan 8.270 nan 0.000 0.421 74 S N -1.044 114.550 115.700 -0.175 0.000 2.383 74 S HA -0.088 4.382 4.470 -0.001 0.000 0.227 74 S C 1.828 176.422 174.600 -0.009 0.000 1.026 74 S CA 1.049 59.217 58.200 -0.054 0.000 0.981 74 S CB -0.237 63.030 63.200 0.111 0.000 0.818 74 S HN 0.290 nan 8.310 nan 0.000 0.472 75 V N 1.723 121.641 119.914 0.006 0.000 2.407 75 V HA -0.184 3.936 4.120 -0.001 0.000 0.248 75 V C 2.300 178.398 176.094 0.006 0.000 1.055 75 V CA 1.954 64.262 62.300 0.013 0.000 1.049 75 V CB -0.510 31.384 31.823 0.118 0.000 0.662 75 V HN 0.429 nan 8.190 nan 0.000 0.455 76 K N 0.485 120.901 120.400 0.027 0.000 2.031 76 K HA -0.149 4.170 4.320 -0.001 0.000 0.205 76 K C 2.022 178.627 176.600 0.009 0.000 1.049 76 K CA 1.559 57.866 56.287 0.034 0.000 0.939 76 K CB -0.222 32.326 32.500 0.080 0.000 0.717 76 K HN 0.411 nan 8.250 nan 0.000 0.438 77 N N 1.055 119.755 118.700 0.001 0.000 2.018 77 N HA -0.204 4.535 4.740 -0.001 0.000 0.196 77 N C 1.691 177.192 175.510 -0.014 0.000 1.043 77 N CA 1.852 54.899 53.050 -0.005 0.000 0.856 77 N CB -0.722 37.762 38.487 -0.005 0.000 1.042 77 N HN 0.368 nan 8.380 nan 0.000 0.423 78 A N 0.031 122.831 122.820 -0.034 0.000 2.178 78 A HA 0.207 4.526 4.320 -0.001 0.000 0.218 78 A C 1.475 179.037 177.584 -0.036 0.000 1.157 78 A CA 1.289 53.296 52.037 -0.049 0.000 0.689 78 A CB -0.752 18.180 19.000 -0.113 0.000 0.787 78 A HN 0.474 nan 8.150 nan 0.000 0.465 79 G N -2.148 106.636 108.800 -0.027 0.000 2.198 79 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.257 79 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.257 79 G C 0.099 174.974 174.900 -0.042 0.000 1.042 79 G CA 0.687 45.773 45.100 -0.024 0.000 0.791 79 G HN 0.274 nan 8.290 nan 0.000 0.502 80 M N -1.038 118.532 119.600 -0.050 0.000 2.705 80 M HA 0.614 5.094 4.480 -0.001 0.000 0.272 80 M C 0.666 176.919 176.300 -0.078 0.000 1.172 80 M CA -0.324 54.933 55.300 -0.071 0.000 0.901 80 M CB 1.141 33.704 32.600 -0.061 0.000 1.516 80 M HN 0.076 nan 8.290 nan 0.000 0.530 81 K N 1.193 121.528 120.400 -0.108 0.000 2.350 81 K HA 0.771 5.090 4.320 -0.001 0.000 0.241 81 K C -1.002 175.602 176.600 0.006 0.000 0.994 81 K CA -0.634 55.594 56.287 -0.098 0.000 0.839 81 K CB 2.781 35.116 32.500 -0.276 0.000 1.244 81 K HN 0.769 nan 8.250 nan 0.000 0.443 82 M N -0.170 119.449 119.600 0.032 0.000 2.484 82 M HA 0.554 5.033 4.480 -0.001 0.000 0.289 82 M C -1.319 174.971 176.300 -0.017 0.000 1.206 82 M CA -0.819 54.528 55.300 0.079 0.000 0.892 82 M CB 1.753 34.474 32.600 0.202 0.000 1.712 82 M HN 0.412 nan 8.290 nan 0.000 0.462 83 I N 3.850 124.380 120.570 -0.068 0.000 2.464 83 I HA 0.403 4.573 4.170 -0.001 0.000 0.277 83 I C -2.320 173.713 176.117 -0.140 0.000 1.040 83 I CA -1.842 59.367 61.300 -0.152 0.000 1.153 83 I CB 1.741 39.591 38.000 -0.250 0.000 1.274 83 I HN 0.462 nan 8.210 nan 0.000 0.469 84 P HA 0.227 nan 4.420 nan 0.000 0.271 84 P C -0.532 176.639 177.300 -0.214 0.000 1.216 84 P CA 0.128 63.150 63.100 -0.130 0.000 0.771 84 P CB 1.187 32.974 31.700 0.144 0.000 0.864 85 I N 3.989 124.362 120.570 -0.329 0.000 2.354 85 I HA 0.305 4.475 4.170 -0.001 0.000 0.292 85 I C 0.787 176.680 176.117 -0.373 0.000 0.989 85 I CA -0.912 60.218 61.300 -0.284 0.000 1.188 85 I CB 1.183 38.981 38.000 -0.337 0.000 1.342 85 I HN 0.139 nan 8.210 nan 0.000 0.457 86 I N 5.690 126.046 120.570 -0.357 0.000 2.278 86 I HA 0.091 4.261 4.170 -0.001 0.000 0.296 86 I C 0.121 176.071 176.117 -0.279 0.000 1.121 86 I CA 0.145 61.210 61.300 -0.392 0.000 1.267 86 I CB 0.123 37.852 38.000 -0.452 0.000 1.447 86 I HN 0.522 nan 8.210 nan 0.000 0.509 87 S N 3.693 119.186 115.700 -0.345 0.000 3.036 87 S HA 0.080 4.550 4.470 -0.001 0.000 0.301 87 S C 1.145 175.644 174.600 -0.169 0.000 1.205 87 S CA -0.576 57.398 58.200 -0.376 0.000 0.999 87 S CB -0.111 62.523 63.200 -0.943 0.000 1.337 87 S HN 0.714 nan 8.310 nan 0.000 0.515 88 T N 0.205 114.736 114.554 -0.038 0.000 3.393 88 T HA 0.111 4.460 4.350 -0.001 0.000 0.248 88 T C 0.364 175.288 174.700 0.373 0.000 0.992 88 T CA -0.500 61.697 62.100 0.160 0.000 0.929 88 T CB -0.643 68.039 68.868 -0.309 0.000 1.065 88 T HN 0.730 nan 8.240 nan 0.000 0.597 89 H N -1.238 118.046 119.070 0.356 0.000 2.771 89 H HA 0.522 5.077 4.556 -0.001 0.000 0.367 89 H C -0.664 174.870 175.328 0.344 0.000 1.172 89 H CA -1.119 55.126 56.048 0.328 0.000 1.186 89 H CB 1.330 31.250 29.762 0.263 0.000 1.790 89 H HN 0.232 nan 8.280 nan 0.000 0.556 90 Q N 0.616 120.579 119.800 0.271 0.000 2.373 90 Q HA 0.229 4.569 4.340 -0.001 0.000 0.255 90 Q C -0.849 175.127 176.000 -0.040 0.000 0.980 90 Q CA -0.467 55.376 55.803 0.066 0.000 0.882 90 Q CB 0.809 29.586 28.738 0.065 0.000 1.249 90 Q HN 0.596 nan 8.270 nan 0.000 0.438 91 c N 4.751 123.044 118.600 -0.512 0.000 2.285 91 c HA 0.673 5.243 4.570 -0.001 0.000 0.335 91 c C 1.214 175.077 174.090 -0.378 0.000 1.267 91 c CA 0.750 56.607 56.329 -0.787 0.000 1.762 91 c CB -1.082 40.324 42.510 -1.839 0.000 2.365 91 c HN 1.092 nan 8.230 nan 0.000 0.527 92 G N 4.450 113.141 108.800 -0.182 0.000 2.660 92 G HA2 0.093 4.053 3.960 -0.001 0.000 0.321 92 G HA3 0.093 4.053 3.960 -0.001 0.000 0.321 92 G C 1.221 176.063 174.900 -0.098 0.000 1.246 92 G CA 1.335 46.365 45.100 -0.117 0.000 1.000 92 G HN 2.528 nan 8.290 nan 0.000 0.550 93 G N -1.765 106.972 108.800 -0.106 0.000 2.213 93 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.236 93 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.236 93 G C 0.179 175.043 174.900 -0.061 0.000 0.991 93 G CA 1.007 46.058 45.100 -0.083 0.000 0.629 93 G HN 1.334 nan 8.290 nan 0.000 0.517 94 N N 0.559 119.228 118.700 -0.052 0.000 2.362 94 N HA 0.465 5.204 4.740 -0.001 0.000 0.298 94 N C 0.548 176.034 175.510 -0.040 0.000 1.048 94 N CA -0.363 52.663 53.050 -0.040 0.000 0.858 94 N CB 2.375 40.845 38.487 -0.029 0.000 1.218 94 N HN 0.088 nan 8.380 nan 0.000 0.488 95 V N 1.526 121.418 119.914 -0.037 0.000 2.742 95 V HA -0.089 4.031 4.120 -0.001 0.000 0.302 95 V C 1.650 177.725 176.094 -0.031 0.000 1.133 95 V CA 1.657 63.937 62.300 -0.034 0.000 1.284 95 V CB -0.275 31.530 31.823 -0.029 0.000 0.850 95 V HN 1.122 nan 8.190 nan 0.000 0.494 96 G N 3.345 112.125 108.800 -0.032 0.000 2.234 96 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.260 96 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.260 96 G C 0.057 174.940 174.900 -0.029 0.000 0.987 96 G CA 0.199 45.282 45.100 -0.028 0.000 0.625 96 G HN 0.717 nan 8.290 nan 0.000 0.532 97 D N 0.754 121.133 120.400 -0.036 0.000 2.400 97 D HA 0.253 4.892 4.640 -0.001 0.000 0.238 97 D C 1.073 177.343 176.300 -0.049 0.000 1.157 97 D CA -0.264 53.712 54.000 -0.041 0.000 0.889 97 D CB 0.498 41.265 40.800 -0.055 0.000 1.199 97 D HN 0.107 nan 8.370 nan 0.000 0.436 98 D N -0.375 119.998 120.400 -0.046 0.000 2.347 98 D HA -0.029 4.610 4.640 -0.001 0.000 0.215 98 D C 0.585 176.834 176.300 -0.084 0.000 0.976 98 D CA 0.539 54.509 54.000 -0.050 0.000 0.884 98 D CB 0.223 41.007 40.800 -0.027 0.000 0.915 98 D HN 0.447 nan 8.370 nan 0.000 0.526 99 c N -1.297 117.230 118.600 -0.122 0.000 3.323 99 c HA 0.741 5.311 4.570 -0.001 0.000 0.324 99 c C -0.805 173.157 174.090 -0.215 0.000 1.428 99 c CA -1.112 55.101 56.329 -0.193 0.000 1.368 99 c CB 1.566 43.903 42.510 -0.289 0.000 1.731 99 c HN 0.068 nan 8.230 nan 0.000 0.455 100 N N -0.106 118.440 118.700 -0.257 0.000 2.969 100 N HA 0.491 5.231 4.740 -0.001 0.000 0.230 100 N C -1.636 173.721 175.510 -0.255 0.000 1.397 100 N CA -0.160 52.757 53.050 -0.222 0.000 0.762 100 N CB 1.181 39.581 38.487 -0.146 0.000 1.495 100 N HN 0.816 nan 8.380 nan 0.000 0.583 101 V N 3.446 123.150 119.914 -0.349 0.000 2.380 101 V HA 0.503 4.623 4.120 -0.001 0.000 0.268 101 V C -2.130 173.818 176.094 -0.242 0.000 1.008 101 V CA -1.287 60.815 62.300 -0.329 0.000 0.823 101 V CB 0.966 32.475 31.823 -0.522 0.000 1.053 101 V HN 0.403 nan 8.190 nan 0.000 0.446 102 P HA 0.296 nan 4.420 nan 0.000 0.272 102 P C 0.342 177.584 177.300 -0.096 0.000 1.240 102 P CA -0.182 62.875 63.100 -0.072 0.000 0.791 102 P CB 1.042 32.722 31.700 -0.034 0.000 0.978 103 I N -2.360 118.153 120.570 -0.096 0.000 3.004 103 I HA 0.310 4.480 4.170 -0.001 0.000 0.287 103 I C -2.291 173.512 176.117 -0.523 0.000 1.144 103 I CA -2.537 58.558 61.300 -0.342 0.000 1.353 103 I CB -0.859 36.913 38.000 -0.380 0.000 1.417 103 I HN 0.084 nan 8.210 nan 0.000 0.602 104 P HA -0.036 nan 4.420 nan 0.000 0.261 104 P C 0.570 177.352 177.300 -0.864 0.000 1.183 104 P CA 0.245 62.805 63.100 -0.900 0.000 0.761 104 P CB 0.726 31.594 31.700 -1.387 0.000 0.785 105 S N 4.096 119.568 115.700 -0.381 0.000 2.453 105 S HA -0.117 4.353 4.470 -0.001 0.000 0.231 105 S C 1.661 176.216 174.600 -0.075 0.000 1.005 105 S CA 0.189 58.339 58.200 -0.083 0.000 0.949 105 S CB -1.023 62.210 63.200 0.055 0.000 0.774 105 S HN 0.677 nan 8.310 nan 0.000 0.510 106 W N 1.720 122.966 121.300 -0.090 0.000 2.392 106 W HA -0.026 4.634 4.660 -0.001 0.000 0.279 106 W C 1.327 177.768 176.519 -0.130 0.000 1.225 106 W CA 0.651 57.949 57.345 -0.078 0.000 1.233 106 W CB -1.054 28.350 29.460 -0.094 0.000 1.122 106 W HN 0.157 nan 8.180 nan 0.000 0.561 107 V N 1.256 120.588 119.914 -0.971 0.000 2.282 107 V HA -0.334 3.786 4.120 -0.001 0.000 0.249 107 V C 2.152 177.970 176.094 -0.461 0.000 1.057 107 V CA 2.567 64.296 62.300 -0.950 0.000 1.032 107 V CB -1.321 29.632 31.823 -1.450 0.000 0.645 107 V HN 0.232 nan 8.190 nan 0.000 0.447 108 W N 0.381 121.590 121.300 -0.152 0.000 2.421 108 W HA -0.093 4.567 4.660 -0.000 0.000 0.270 108 W C 2.144 178.669 176.519 0.010 0.000 1.233 108 W CA 0.653 57.971 57.345 -0.044 0.000 1.226 108 W CB -0.687 28.753 29.460 -0.034 0.000 1.121 108 W HN 0.267 nan 8.180 nan 0.000 0.579 109 N N 0.371 119.195 118.700 0.206 0.000 2.521 109 N HA -0.088 4.652 4.740 -0.001 0.000 0.188 109 N C 1.226 176.813 175.510 0.129 0.000 1.146 109 N CA 0.772 53.922 53.050 0.167 0.000 0.893 109 N CB -0.325 38.259 38.487 0.161 0.000 0.975 109 N HN 0.480 nan 8.380 nan 0.000 0.451 110 Q N -0.253 119.613 119.800 0.111 0.000 2.432 110 Q HA 0.093 4.433 4.340 -0.001 0.000 0.205 110 Q C -0.048 175.981 176.000 0.048 0.000 0.945 110 Q CA 0.765 56.620 55.803 0.086 0.000 0.924 110 Q CB 0.469 29.256 28.738 0.081 0.000 1.016 110 Q HN 0.091 nan 8.270 nan 0.000 0.503 111 K N -0.455 119.975 120.400 0.049 0.000 2.435 111 K HA 0.234 4.554 4.320 -0.001 0.000 0.251 111 K C 0.142 176.759 176.600 0.028 0.000 0.954 111 K CA -0.198 56.092 56.287 0.005 0.000 0.820 111 K CB 1.975 34.440 32.500 -0.059 0.000 1.292 111 K HN -0.095 nan 8.250 nan 0.000 0.436 112 S N -1.346 114.356 115.700 0.003 0.000 2.559 112 S HA 0.033 4.502 4.470 -0.001 0.000 0.226 112 S C 0.299 174.904 174.600 0.007 0.000 1.000 112 S CA -0.187 58.026 58.200 0.023 0.000 0.948 112 S CB -0.129 63.087 63.200 0.027 0.000 0.870 112 S HN 0.616 nan 8.310 nan 0.000 0.497 113 D N 2.073 122.445 120.400 -0.047 0.000 2.530 113 D HA 0.264 4.903 4.640 -0.001 0.000 0.282 113 D C -0.126 176.098 176.300 -0.128 0.000 1.204 113 D CA -0.359 53.597 54.000 -0.074 0.000 1.093 113 D CB -0.067 40.656 40.800 -0.129 0.000 1.154 113 D HN 0.163 nan 8.370 nan 0.000 0.593 114 D N -2.092 118.181 120.400 -0.212 0.000 2.559 114 D HA 0.050 4.690 4.640 -0.001 0.000 0.234 114 D C 0.887 176.814 176.300 -0.621 0.000 1.226 114 D CA -0.227 53.460 54.000 -0.521 0.000 0.830 114 D CB -0.331 40.261 40.800 -0.348 0.000 1.028 114 D HN 0.230 nan 8.370 nan 0.000 0.492 115 S N -0.248 115.123 115.700 -0.548 0.000 2.453 115 S HA -0.045 4.425 4.470 -0.001 0.000 0.231 115 S C 1.656 176.015 174.600 -0.402 0.000 1.005 115 S CA 0.199 57.968 58.200 -0.718 0.000 0.949 115 S CB -0.494 61.622 63.200 -1.807 0.000 0.774 115 S HN 0.354 nan 8.310 nan 0.000 0.510 116 L N -0.046 120.994 121.223 -0.305 0.000 2.529 116 L HA 0.295 4.635 4.340 -0.001 0.000 0.223 116 L C 0.750 177.682 176.870 0.104 0.000 1.113 116 L CA -0.129 54.677 54.840 -0.056 0.000 0.861 116 L CB -0.269 41.892 42.059 0.169 0.000 1.012 116 L HN 0.508 nan 8.230 nan 0.000 0.461 117 Y N -2.924 117.400 120.300 0.041 0.000 2.773 117 Y HA 0.700 5.249 4.550 -0.001 0.000 0.323 117 Y C -0.626 175.193 175.900 -0.135 0.000 1.183 117 Y CA -2.228 55.867 58.100 -0.009 0.000 1.144 117 Y CB 0.323 38.797 38.460 0.023 0.000 1.340 117 Y HN -0.293 nan 8.280 nan 0.000 0.531 118 F N 0.313 120.558 119.950 0.492 0.000 2.507 118 F HA 0.635 5.161 4.527 -0.001 0.000 0.327 118 F C -0.053 175.968 175.800 0.367 0.000 1.068 118 F CA -0.992 57.225 58.000 0.362 0.000 0.965 118 F CB 2.120 41.294 39.000 0.289 0.000 1.192 118 F HN 0.301 nan 8.300 nan 0.000 0.476 119 K N 1.223 121.942 120.400 0.532 0.000 2.471 119 K HA 0.437 4.756 4.320 -0.001 0.000 0.252 119 K C -0.481 176.354 176.600 0.392 0.000 0.938 119 K CA -0.507 56.021 56.287 0.402 0.000 0.796 119 K CB 1.817 34.545 32.500 0.380 0.000 1.161 119 K HN 0.841 nan 8.250 nan 0.000 0.425 120 S N 1.929 117.771 115.700 0.236 0.000 2.641 120 S HA 0.088 4.558 4.470 -0.001 0.000 0.261 120 S C 1.001 175.513 174.600 -0.147 0.000 1.257 120 S CA -0.164 58.117 58.200 0.135 0.000 0.983 120 S CB 0.939 64.164 63.200 0.042 0.000 0.990 120 S HN 0.705 nan 8.310 nan 0.000 0.572 121 E N 0.279 120.229 120.200 -0.417 0.000 2.160 121 E HA -0.111 4.239 4.350 -0.001 0.000 0.195 121 E C 1.429 177.766 176.600 -0.438 0.000 0.991 121 E CA 1.624 57.505 56.400 -0.863 0.000 0.810 121 E CB -0.334 29.123 29.700 -0.405 0.000 0.742 121 E HN 0.898 nan 8.360 nan 0.000 0.466 122 T N -3.579 110.847 114.554 -0.213 0.000 3.186 122 T HA 0.383 4.732 4.350 -0.001 0.000 0.257 122 T C 1.214 175.873 174.700 -0.069 0.000 1.029 122 T CA 0.135 62.163 62.100 -0.119 0.000 0.916 122 T CB 0.832 69.657 68.868 -0.071 0.000 1.041 122 T HN 0.227 nan 8.240 nan 0.000 0.562 123 G N 1.257 110.021 108.800 -0.060 0.000 2.157 123 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.248 123 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.248 123 G C 0.110 175.029 174.900 0.031 0.000 0.979 123 G CA -0.008 45.100 45.100 0.014 0.000 0.650 123 G HN 0.706 nan 8.290 nan 0.000 0.529 124 T N 0.797 115.366 114.554 0.025 0.000 2.870 124 T HA 0.476 4.826 4.350 -0.001 0.000 0.300 124 T C 0.478 175.220 174.700 0.069 0.000 0.989 124 T CA -0.121 61.996 62.100 0.028 0.000 1.139 124 T CB 2.462 71.340 68.868 0.018 0.000 0.920 124 T HN 0.401 nan 8.240 nan 0.000 0.537 125 V N 4.711 124.645 119.914 0.033 0.000 2.427 125 V HA 0.402 4.521 4.120 -0.001 0.000 0.286 125 V C 0.310 176.420 176.094 0.026 0.000 1.034 125 V CA -0.856 61.465 62.300 0.035 0.000 0.893 125 V CB 1.447 33.188 31.823 -0.135 0.000 0.982 125 V HN 0.828 nan 8.190 nan 0.000 0.452 126 N N 3.932 122.725 118.700 0.155 0.000 2.284 126 N HA 0.447 5.186 4.740 -0.001 0.000 0.300 126 N C -0.568 175.095 175.510 0.255 0.000 1.047 126 N CA -0.565 52.585 53.050 0.165 0.000 0.821 126 N CB 2.118 40.712 38.487 0.178 0.000 1.337 126 N HN 0.620 nan 8.380 nan 0.000 0.482 127 K N 2.287 122.770 120.400 0.139 0.000 2.826 127 K HA 0.193 4.512 4.320 -0.001 0.000 0.206 127 K C 0.166 176.977 176.600 0.352 0.000 1.116 127 K CA -0.078 56.318 56.287 0.183 0.000 1.045 127 K CB 0.856 33.154 32.500 -0.336 0.000 0.758 127 K HN 0.560 nan 8.250 nan 0.000 0.465 128 E N 0.464 120.855 120.200 0.319 0.000 2.285 128 E HA -0.055 4.295 4.350 -0.001 0.000 0.194 128 E C 0.657 177.481 176.600 0.373 0.000 0.997 128 E CA 0.742 57.311 56.400 0.282 0.000 0.845 128 E CB 0.499 30.314 29.700 0.192 0.000 0.782 128 E HN 0.071 nan 8.360 nan 0.000 0.491 129 T N -0.736 114.099 114.554 0.468 0.000 2.853 129 T HA 0.375 4.725 4.350 -0.001 0.000 0.311 129 T C -1.203 173.776 174.700 0.465 0.000 1.307 129 T CA -0.773 61.603 62.100 0.461 0.000 1.019 129 T CB 0.944 70.071 68.868 0.432 0.000 1.264 129 T HN -0.074 nan 8.240 nan 0.000 0.497 130 L N 3.255 124.676 121.223 0.331 0.000 2.439 130 L HA 0.363 4.703 4.340 -0.001 0.000 0.269 130 L C 1.061 177.919 176.870 -0.019 0.000 1.179 130 L CA -0.735 54.194 54.840 0.147 0.000 0.828 130 L CB 0.439 42.551 42.059 0.088 0.000 1.106 130 L HN 0.651 nan 8.230 nan 0.000 0.467 131 N N 4.340 122.850 118.700 -0.316 0.000 2.475 131 N HA 0.053 4.792 4.740 -0.001 0.000 0.267 131 N C -1.609 173.725 175.510 -0.294 0.000 1.169 131 N CA -1.386 51.295 53.050 -0.615 0.000 0.947 131 N CB 1.316 39.371 38.487 -0.720 0.000 1.061 131 N HN 0.343 nan 8.380 nan 0.000 0.466 132 P HA -0.099 nan 4.420 nan 0.000 0.231 132 P C 1.403 178.605 177.300 -0.164 0.000 1.158 132 P CA 0.700 63.554 63.100 -0.411 0.000 0.763 132 P CB 0.444 31.712 31.700 -0.720 0.000 0.805 133 L N -0.301 120.885 121.223 -0.062 0.000 2.201 133 L HA -0.019 4.320 4.340 -0.001 0.000 0.212 133 L C 1.837 178.831 176.870 0.207 0.000 1.105 133 L CA 0.762 55.652 54.840 0.083 0.000 0.775 133 L CB -0.657 41.526 42.059 0.206 0.000 0.913 133 L HN -0.092 nan 8.230 nan 0.000 0.440 134 A N -0.337 122.552 122.820 0.115 0.000 3.118 134 A HA 0.166 4.486 4.320 -0.001 0.000 0.256 134 A C 1.590 179.175 177.584 0.000 0.000 1.667 134 A CA 0.231 52.310 52.037 0.070 0.000 1.338 134 A CB -0.470 18.485 19.000 -0.074 0.000 1.127 134 A HN 0.389 nan 8.150 nan 0.000 0.634 135 S N 0.256 115.975 115.700 0.031 0.000 2.507 135 S HA -0.153 4.317 4.470 -0.001 0.000 0.235 135 S C 1.235 175.826 174.600 -0.015 0.000 0.988 135 S CA 0.973 59.171 58.200 -0.002 0.000 0.944 135 S CB -0.236 62.983 63.200 0.032 0.000 0.762 135 S HN 0.742 nan 8.310 nan 0.000 0.526 136 D N 2.199 122.602 120.400 0.005 0.000 2.120 136 D HA -0.060 4.580 4.640 -0.001 0.000 0.202 136 D C 1.956 178.243 176.300 -0.023 0.000 0.972 136 D CA 0.840 54.840 54.000 -0.000 0.000 0.837 136 D CB -0.923 39.889 40.800 0.019 0.000 0.989 136 D HN 0.389 nan 8.370 nan 0.000 0.469 137 V N 1.224 121.117 119.914 -0.034 0.000 2.358 137 V HA -0.187 3.932 4.120 -0.001 0.000 0.246 137 V C 2.665 178.707 176.094 -0.085 0.000 1.047 137 V CA 0.970 63.250 62.300 -0.032 0.000 1.035 137 V CB -0.375 31.425 31.823 -0.038 0.000 0.658 137 V HN 0.141 nan 8.190 nan 0.000 0.452 138 I N 0.192 120.647 120.570 -0.193 0.000 2.163 138 I HA -0.240 3.929 4.170 -0.001 0.000 0.243 138 I C 2.592 178.497 176.117 -0.353 0.000 1.085 138 I CA 1.769 62.786 61.300 -0.472 0.000 1.347 138 I CB -1.253 36.440 38.000 -0.511 0.000 1.044 138 I HN 0.344 nan 8.210 nan 0.000 0.408 139 R N 1.199 121.590 120.500 -0.182 0.000 2.080 139 R HA -0.233 4.107 4.340 -0.001 0.000 0.236 139 R C 2.395 178.650 176.300 -0.075 0.000 1.137 139 R CA 2.019 58.049 56.100 -0.117 0.000 0.943 139 R CB -0.179 30.085 30.300 -0.061 0.000 0.846 139 R HN 0.272 nan 8.270 nan 0.000 0.431 140 K N 0.147 120.528 120.400 -0.032 0.000 1.969 140 K HA -0.184 4.136 4.320 -0.001 0.000 0.216 140 K C 1.827 178.457 176.600 0.051 0.000 1.048 140 K CA 1.973 58.275 56.287 0.024 0.000 0.948 140 K CB -0.057 32.478 32.500 0.059 0.000 0.726 140 K HN 0.182 nan 8.250 nan 0.000 0.442 141 E N -0.374 119.878 120.200 0.086 0.000 2.152 141 E HA -0.151 4.198 4.350 -0.001 0.000 0.192 141 E C 2.135 178.757 176.600 0.037 0.000 0.983 141 E CA 0.983 57.487 56.400 0.172 0.000 0.818 141 E CB -0.170 29.736 29.700 0.345 0.000 0.758 141 E HN 0.443 nan 8.360 nan 0.000 0.467 142 Y N 0.898 120.976 120.300 -0.371 0.000 2.243 142 Y HA 0.072 4.622 4.550 -0.001 0.000 0.293 142 Y C 2.615 178.067 175.900 -0.747 0.000 1.124 142 Y CA 0.584 58.228 58.100 -0.760 0.000 1.159 142 Y CB -1.211 36.749 38.460 -0.833 0.000 1.008 142 Y HN 0.055 nan 8.280 nan 0.000 0.527 143 G N 0.067 108.719 108.800 -0.246 0.000 2.491 143 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.218 143 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.218 143 G C 1.566 176.426 174.900 -0.067 0.000 1.180 143 G CA 1.247 46.258 45.100 -0.148 0.000 0.774 143 G HN 0.418 nan 8.290 nan 0.000 0.562 144 E N -0.296 119.915 120.200 0.018 0.000 2.038 144 E HA -0.127 4.222 4.350 -0.001 0.000 0.195 144 E C 2.419 179.110 176.600 0.150 0.000 1.000 144 E CA 1.049 57.532 56.400 0.138 0.000 0.803 144 E CB -0.243 29.612 29.700 0.257 0.000 0.750 144 E HN 0.344 nan 8.360 nan 0.000 0.448 145 L N 0.313 121.605 121.223 0.114 0.000 2.046 145 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 145 L C 2.076 179.041 176.870 0.159 0.000 1.077 145 L CA 1.685 56.599 54.840 0.123 0.000 0.747 145 L CB -0.477 41.534 42.059 -0.080 0.000 0.896 145 L HN 0.109 nan 8.230 nan 0.000 0.432 146 Y N -0.004 120.268 120.300 -0.048 0.000 2.163 146 Y HA -0.133 4.416 4.550 -0.001 0.000 0.288 146 Y C 2.727 178.545 175.900 -0.136 0.000 1.136 146 Y CA 1.372 59.436 58.100 -0.060 0.000 1.147 146 Y CB -1.611 36.711 38.460 -0.231 0.000 0.987 146 Y HN 0.210 nan 8.280 nan 0.000 0.509 147 T N 0.302 114.864 114.554 0.013 0.000 2.684 147 T HA -0.200 4.149 4.350 -0.001 0.000 0.267 147 T C 2.177 176.845 174.700 -0.053 0.000 1.036 147 T CA 1.673 63.741 62.100 -0.053 0.000 1.148 147 T CB -0.567 68.286 68.868 -0.025 0.000 0.863 147 T HN 0.388 nan 8.240 nan 0.000 0.436 148 A N 0.370 123.142 122.820 -0.080 0.000 2.014 148 A HA 0.074 4.394 4.320 -0.001 0.000 0.218 148 A C 1.964 179.272 177.584 -0.460 0.000 1.163 148 A CA 0.961 52.868 52.037 -0.217 0.000 0.652 148 A CB -0.749 17.947 19.000 -0.507 0.000 0.808 148 A HN 0.515 nan 8.150 nan 0.000 0.449 149 F N 0.718 120.378 119.950 -0.484 0.000 2.293 149 F HA 0.155 4.682 4.527 -0.001 0.000 0.297 149 F C 2.382 178.008 175.800 -0.290 0.000 1.089 149 F CA 0.761 58.327 58.000 -0.725 0.000 1.377 149 F CB -0.279 38.557 39.000 -0.273 0.000 1.051 149 F HN 0.227 nan 8.300 nan 0.000 0.511 150 A N 0.595 123.465 122.820 0.083 0.000 1.902 150 A HA -0.088 4.232 4.320 -0.001 0.000 0.217 150 A C 2.397 180.007 177.584 0.044 0.000 1.181 150 A CA 1.790 53.997 52.037 0.283 0.000 0.623 150 A CB -1.514 17.656 19.000 0.283 0.000 0.818 150 A HN 0.471 nan 8.150 nan 0.000 0.443 151 A N -0.453 122.301 122.820 -0.110 0.000 1.969 151 A HA 0.255 4.575 4.320 -0.001 0.000 0.218 151 A C 2.412 179.887 177.584 -0.181 0.000 1.169 151 A CA 1.791 53.752 52.037 -0.127 0.000 0.635 151 A CB -0.763 18.181 19.000 -0.094 0.000 0.810 151 A HN 0.998 nan 8.150 nan 0.000 0.445 152 A N -1.446 121.155 122.820 -0.366 0.000 1.970 152 A HA 0.081 4.401 4.320 -0.001 0.000 0.216 152 A C 1.859 179.304 177.584 -0.231 0.000 1.170 152 A CA 1.474 53.308 52.037 -0.339 0.000 0.645 152 A CB -0.267 18.372 19.000 -0.601 0.000 0.816 152 A HN 0.375 nan 8.150 nan 0.000 0.447 153 M N -0.703 118.715 119.600 -0.305 0.000 2.495 153 M HA 0.170 4.649 4.480 -0.001 0.000 0.237 153 M C 1.491 177.927 176.300 0.226 0.000 1.131 153 M CA 0.377 55.634 55.300 -0.072 0.000 1.032 153 M CB -0.820 31.494 32.600 -0.477 0.000 1.513 153 M HN 0.411 nan 8.290 nan 0.000 0.488 154 K N 1.104 121.529 120.400 0.042 0.000 2.044 154 K HA -0.172 4.148 4.320 -0.001 0.000 0.210 154 K C -0.876 175.621 176.600 -0.172 0.000 1.049 154 K CA 1.649 57.844 56.287 -0.152 0.000 0.927 154 K CB -0.768 31.611 32.500 -0.201 0.000 0.713 154 K HN 0.181 nan 8.250 nan 0.000 0.443 155 P HA -0.119 nan 4.420 nan 0.000 0.223 155 P C -0.113 176.832 177.300 -0.591 0.000 1.151 155 P CA 1.159 63.967 63.100 -0.487 0.000 0.787 155 P CB 0.086 31.354 31.700 -0.719 0.000 0.788 156 Y N -0.383 119.908 120.300 -0.014 0.000 2.708 156 Y HA 0.212 4.761 4.550 -0.001 0.000 0.287 156 Y C 1.807 177.762 175.900 0.091 0.000 1.145 156 Y CA -0.586 57.523 58.100 0.015 0.000 1.249 156 Y CB -0.673 37.780 38.460 -0.012 0.000 1.152 156 Y HN 0.000 nan 8.280 nan 0.000 0.532 157 K N 0.022 120.550 120.400 0.213 0.000 2.280 157 K HA -0.180 4.140 4.320 -0.001 0.000 0.202 157 K C 0.773 177.493 176.600 0.201 0.000 1.047 157 K CA 1.898 58.377 56.287 0.320 0.000 0.942 157 K CB -0.203 32.308 32.500 0.018 0.000 0.739 157 K HN 0.325 nan 8.250 nan 0.000 0.457 158 D N 1.527 121.991 120.400 0.105 0.000 2.349 158 D HA -0.071 4.569 4.640 -0.001 0.000 0.224 158 D C 1.353 177.693 176.300 0.067 0.000 1.029 158 D CA 0.670 54.712 54.000 0.069 0.000 0.879 158 D CB 0.371 41.190 40.800 0.031 0.000 0.906 158 D HN 0.318 nan 8.370 nan 0.000 0.528 159 V N -2.504 117.467 119.914 0.095 0.000 3.380 159 V HA 0.367 4.486 4.120 -0.001 0.000 0.307 159 V C 0.640 176.764 176.094 0.051 0.000 1.434 159 V CA -0.610 61.728 62.300 0.064 0.000 1.075 159 V CB -0.281 31.592 31.823 0.083 0.000 0.954 159 V HN -0.031 nan 8.190 nan 0.000 0.444 160 I N 1.762 122.368 120.570 0.061 0.000 2.307 160 I HA 0.571 4.741 4.170 -0.001 0.000 0.289 160 I C 1.322 177.434 176.117 -0.008 0.000 1.021 160 I CA -0.001 61.294 61.300 -0.008 0.000 1.224 160 I CB 1.682 39.620 38.000 -0.102 0.000 1.376 160 I HN 0.215 nan 8.210 nan 0.000 0.470 161 A N 6.470 129.276 122.820 -0.024 0.000 2.030 161 A HA 0.116 4.435 4.320 -0.001 0.000 0.215 161 A C 0.809 178.365 177.584 -0.047 0.000 1.164 161 A CA 0.819 52.876 52.037 0.034 0.000 0.697 161 A CB 0.321 19.404 19.000 0.138 0.000 0.827 161 A HN 0.723 nan 8.150 nan 0.000 0.457 162 K N -1.484 118.819 120.400 -0.163 0.000 2.642 162 K HA 0.590 4.909 4.320 -0.001 0.000 0.290 162 K C -2.283 174.097 176.600 -0.367 0.000 1.006 162 K CA -0.699 55.425 56.287 -0.271 0.000 0.869 162 K CB 0.794 33.100 32.500 -0.324 0.000 1.499 162 K HN 0.073 nan 8.250 nan 0.000 0.403 163 I N 2.424 122.727 120.570 -0.445 0.000 2.498 163 I HA 0.379 4.549 4.170 -0.001 0.000 0.290 163 I C -1.404 174.469 176.117 -0.408 0.000 1.032 163 I CA -0.853 60.151 61.300 -0.494 0.000 1.073 163 I CB 1.627 39.159 38.000 -0.780 0.000 1.251 163 I HN 0.499 nan 8.210 nan 0.000 0.426 164 Y N 5.735 125.830 120.300 -0.342 0.000 2.409 164 Y HA 0.611 5.161 4.550 -0.001 0.000 0.339 164 Y C -0.274 175.467 175.900 -0.265 0.000 1.033 164 Y CA -0.664 57.285 58.100 -0.252 0.000 1.094 164 Y CB 1.676 40.007 38.460 -0.215 0.000 1.210 164 Y HN 0.268 nan 8.280 nan 0.000 0.456 165 L N 1.692 122.926 121.223 0.018 0.000 2.352 165 L HA 0.565 4.905 4.340 -0.001 0.000 0.269 165 L C 0.125 177.014 176.870 0.032 0.000 1.034 165 L CA -1.045 53.768 54.840 -0.045 0.000 0.806 165 L CB 1.527 43.579 42.059 -0.011 0.000 1.244 165 L HN 0.456 nan 8.230 nan 0.000 0.447 166 S N -0.152 115.584 115.700 0.060 0.000 2.422 166 S HA 0.405 4.875 4.470 -0.001 0.000 0.308 166 S C 0.777 175.505 174.600 0.213 0.000 1.097 166 S CA -0.431 57.855 58.200 0.142 0.000 1.099 166 S CB 1.011 64.386 63.200 0.292 0.000 0.976 166 S HN 0.788 nan 8.310 nan 0.000 0.471 167 G N 2.863 111.781 108.800 0.196 0.000 3.042 167 G HA2 0.532 4.491 3.960 -0.001 0.000 0.212 167 G HA3 0.532 4.491 3.960 -0.001 0.000 0.212 167 G C 0.642 175.718 174.900 0.294 0.000 1.166 167 G CA 0.213 45.481 45.100 0.281 0.000 0.767 167 G HN 1.135 nan 8.290 nan 0.000 0.546 168 G N -0.416 108.504 108.800 0.200 0.000 2.360 168 G HA2 0.428 4.388 3.960 -0.001 0.000 0.276 168 G HA3 0.428 4.388 3.960 -0.001 0.000 0.276 168 G C -3.235 171.690 174.900 0.042 0.000 1.256 168 G CA -0.603 44.577 45.100 0.134 0.000 0.890 168 G HN -0.019 nan 8.290 nan 0.000 0.486 169 P HA 0.375 nan 4.420 nan 0.000 0.269 169 P C 0.802 177.975 177.300 -0.211 0.000 1.215 169 P CA 1.657 64.728 63.100 -0.048 0.000 0.780 169 P CB 1.229 32.875 31.700 -0.090 0.000 0.898 170 A N 2.068 124.754 122.820 -0.223 0.000 2.822 170 A HA -0.175 4.145 4.320 -0.001 0.000 0.279 170 A C 1.404 178.627 177.584 -0.602 0.000 1.356 170 A CA 2.080 53.967 52.037 -0.251 0.000 0.961 170 A CB -2.517 16.447 19.000 -0.060 0.000 0.977 170 A HN 1.212 nan 8.150 nan 0.000 0.650 171 G N -2.460 105.703 108.800 -1.062 0.000 2.159 171 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.227 171 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.227 171 G C -0.326 174.464 174.900 -0.183 0.000 0.986 171 G CA 0.714 45.453 45.100 -0.601 0.000 0.651 171 G HN 1.195 nan 8.290 nan 0.000 0.523 172 E N -0.673 119.462 120.200 -0.109 0.000 2.195 172 E HA 0.588 4.938 4.350 -0.001 0.000 0.271 172 E C -0.205 176.464 176.600 0.115 0.000 0.923 172 E CA -1.133 55.294 56.400 0.045 0.000 0.790 172 E CB 2.188 31.934 29.700 0.075 0.000 1.155 172 E HN 0.167 nan 8.360 nan 0.000 0.402 173 L N 4.780 126.136 121.223 0.221 0.000 2.536 173 L HA 0.166 4.505 4.340 -0.001 0.000 0.282 173 L C -0.316 176.690 176.870 0.227 0.000 1.174 173 L CA 0.844 55.831 54.840 0.244 0.000 0.989 173 L CB -0.892 41.381 42.059 0.356 0.000 1.311 173 L HN 0.588 nan 8.230 nan 0.000 0.455 174 R N 1.908 122.408 120.500 0.000 0.000 2.855 174 R HA 0.366 4.706 4.340 -0.001 0.000 0.274 174 R C -1.519 174.557 176.300 -0.373 0.000 0.997 174 R CA -1.074 54.913 56.100 -0.188 0.000 0.856 174 R CB 0.376 30.580 30.300 -0.160 0.000 1.378 174 R HN 0.111 nan 8.270 nan 0.000 0.462 175 Y N 0.245 120.368 120.300 -0.295 0.000 2.376 175 Y HA 0.419 4.969 4.550 -0.001 0.000 0.325 175 Y C -1.731 173.911 175.900 -0.430 0.000 1.199 175 Y CA -2.318 55.540 58.100 -0.405 0.000 1.206 175 Y CB 1.303 39.584 38.460 -0.297 0.000 1.229 175 Y HN 0.384 nan 8.280 nan 0.000 0.480 176 P HA 0.048 nan 4.420 nan 0.000 0.214 176 P C 0.120 177.288 177.300 -0.220 0.000 1.826 176 P CA -0.006 62.874 63.100 -0.368 0.000 0.977 176 P CB -0.112 31.347 31.700 -0.400 0.000 1.930 177 S N -0.077 115.543 115.700 -0.133 0.000 2.603 177 S HA -0.022 4.448 4.470 -0.001 0.000 0.220 177 S C 0.412 175.104 174.600 0.153 0.000 0.967 177 S CA -0.196 58.011 58.200 0.013 0.000 0.920 177 S CB -0.989 62.234 63.200 0.038 0.000 0.773 177 S HN 0.356 nan 8.310 nan 0.000 0.529 178 Y N 0.817 121.152 120.300 0.059 0.000 2.373 178 Y HA 0.746 5.295 4.550 -0.001 0.000 0.327 178 Y C -0.447 175.503 175.900 0.082 0.000 1.036 178 Y CA -1.035 57.139 58.100 0.123 0.000 1.265 178 Y CB 0.436 39.075 38.460 0.300 0.000 1.108 178 Y HN 0.157 nan 8.280 nan 0.000 0.471 179 T N -1.568 113.069 114.554 0.137 0.000 2.843 179 T HA 0.353 4.703 4.350 -0.001 0.000 0.302 179 T C 0.376 175.108 174.700 0.054 0.000 1.232 179 T CA -0.488 61.650 62.100 0.063 0.000 1.009 179 T CB 1.631 70.502 68.868 0.004 0.000 1.254 179 T HN 0.407 nan 8.240 nan 0.000 0.504 180 T N 1.035 115.608 114.554 0.031 0.000 2.777 180 T HA -0.047 4.303 4.350 -0.001 0.000 0.266 180 T C 2.187 176.892 174.700 0.007 0.000 1.040 180 T CA 1.666 63.776 62.100 0.016 0.000 1.141 180 T CB -0.581 68.290 68.868 0.004 0.000 0.868 180 T HN 0.639 nan 8.240 nan 0.000 0.444 181 S N 1.056 116.757 115.700 0.002 0.000 2.400 181 S HA -0.138 4.332 4.470 -0.001 0.000 0.232 181 S C 1.673 176.273 174.600 -0.000 0.000 1.025 181 S CA 1.088 59.285 58.200 -0.005 0.000 0.993 181 S CB -0.310 62.884 63.200 -0.011 0.000 0.808 181 S HN 0.409 nan 8.310 nan 0.000 0.478 182 D N -0.121 120.284 120.400 0.009 0.000 2.339 182 D HA 0.193 4.833 4.640 -0.001 0.000 0.217 182 D C 1.060 177.366 176.300 0.011 0.000 1.050 182 D CA 0.534 54.540 54.000 0.010 0.000 0.856 182 D CB -0.138 40.674 40.800 0.019 0.000 0.922 182 D HN 0.371 nan 8.370 nan 0.000 0.518 183 G N 0.860 109.667 108.800 0.012 0.000 2.246 183 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.273 183 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.273 183 G C 0.697 175.610 174.900 0.022 0.000 1.055 183 G CA 0.868 45.974 45.100 0.009 0.000 0.851 183 G HN 0.434 nan 8.290 nan 0.000 0.500 184 T N -2.664 111.920 114.554 0.050 0.000 3.288 184 T HA 0.586 4.936 4.350 -0.001 0.000 0.293 184 T C 1.261 176.044 174.700 0.138 0.000 1.008 184 T CA 0.697 62.851 62.100 0.090 0.000 0.929 184 T CB 0.885 69.818 68.868 0.108 0.000 1.152 184 T HN 1.381 nan 8.240 nan 0.000 0.517 185 G N 0.956 109.802 108.800 0.077 0.000 2.690 185 G HA2 0.321 4.281 3.960 -0.001 0.000 0.239 185 G HA3 0.321 4.281 3.960 -0.001 0.000 0.239 185 G C -0.424 174.420 174.900 -0.093 0.000 1.233 185 G CA -0.698 44.433 45.100 0.051 0.000 0.847 185 G HN 0.539 nan 8.290 nan 0.000 0.588 186 Y N 1.880 121.899 120.300 -0.469 0.000 2.717 186 Y HA 0.274 4.824 4.550 -0.001 0.000 0.330 186 Y C -1.188 174.415 175.900 -0.494 0.000 1.217 186 Y CA -1.009 56.506 58.100 -0.975 0.000 1.506 186 Y CB 1.088 38.808 38.460 -1.233 0.000 1.268 186 Y HN 0.315 nan 8.280 nan 0.000 0.561 187 P HA 0.202 nan 4.420 nan 0.000 0.279 187 P C -1.109 175.977 177.300 -0.357 0.000 1.819 187 P CA -0.277 62.058 63.100 -1.275 0.000 1.258 187 P CB 0.126 30.996 31.700 -1.383 0.000 1.656 188 S N 0.425 116.032 115.700 -0.155 0.000 2.655 188 S HA 0.443 4.913 4.470 -0.001 0.000 0.265 188 S C 0.602 175.298 174.600 0.160 0.000 1.240 188 S CA -0.854 57.352 58.200 0.010 0.000 0.986 188 S CB 0.781 63.977 63.200 -0.008 0.000 0.985 188 S HN 0.343 nan 8.310 nan 0.000 0.562 189 R N -0.282 120.265 120.500 0.078 0.000 2.738 189 R HA 0.513 4.852 4.340 -0.001 0.000 0.268 189 R C 0.478 176.802 176.300 0.041 0.000 1.062 189 R CA -0.265 55.859 56.100 0.040 0.000 1.158 189 R CB -0.313 29.988 30.300 0.001 0.000 1.046 189 R HN 0.702 nan 8.270 nan 0.000 0.493 190 G N 0.916 109.702 108.800 -0.023 0.000 2.531 190 G HA2 0.356 4.315 3.960 -0.001 0.000 0.313 190 G HA3 0.356 4.315 3.960 -0.001 0.000 0.313 190 G C -1.010 173.811 174.900 -0.132 0.000 1.238 190 G CA -1.032 44.061 45.100 -0.012 0.000 0.994 190 G HN 0.506 nan 8.290 nan 0.000 0.493 191 K N -0.408 119.921 120.400 -0.117 0.000 2.259 191 K HA 0.375 4.694 4.320 -0.001 0.000 0.252 191 K C -0.894 175.601 176.600 -0.175 0.000 0.936 191 K CA -0.481 55.727 56.287 -0.131 0.000 0.810 191 K CB 1.876 34.355 32.500 -0.034 0.000 1.143 191 K HN 0.312 nan 8.250 nan 0.000 0.427 192 F N 1.378 121.355 119.950 0.046 0.000 2.586 192 F HA -0.057 4.469 4.527 -0.001 0.000 0.344 192 F C 1.509 177.446 175.800 0.230 0.000 1.188 192 F CA 0.550 58.577 58.000 0.046 0.000 1.359 192 F CB 0.466 39.414 39.000 -0.088 0.000 1.129 192 F HN 0.304 nan 8.300 nan 0.000 0.609 193 Q N 1.691 121.713 119.800 0.370 0.000 2.217 193 Q HA 0.356 4.696 4.340 -0.001 0.000 0.340 193 Q C -0.395 175.854 176.000 0.416 0.000 0.893 193 Q CA -0.073 55.959 55.803 0.382 0.000 1.142 193 Q CB 1.202 30.076 28.738 0.227 0.000 1.288 193 Q HN 0.609 nan 8.270 nan 0.000 0.426 194 A N 0.219 123.191 122.820 0.253 0.000 3.113 194 A HA 0.420 4.739 4.320 -0.001 0.000 0.307 194 A C -0.368 177.041 177.584 -0.291 0.000 1.025 194 A CA -0.254 51.848 52.037 0.110 0.000 1.012 194 A CB -0.165 18.977 19.000 0.237 0.000 1.085 194 A HN 0.249 nan 8.150 nan 0.000 0.519 195 Y N 0.088 120.522 120.300 0.224 0.000 2.612 195 Y HA 0.124 4.673 4.550 -0.000 0.000 0.250 195 Y C 1.442 177.445 175.900 0.172 0.000 1.175 195 Y CA 0.198 58.397 58.100 0.164 0.000 1.205 195 Y CB 0.331 38.867 38.460 0.127 0.000 1.201 195 Y HN 0.451 nan 8.280 nan 0.000 0.532 196 T N -2.356 112.355 114.554 0.262 0.000 2.828 196 T HA 0.073 4.423 4.350 -0.001 0.000 0.290 196 T C 1.174 175.981 174.700 0.179 0.000 1.019 196 T CA -0.568 61.658 62.100 0.209 0.000 1.031 196 T CB 1.248 70.193 68.868 0.129 0.000 1.001 196 T HN 0.080 nan 8.240 nan 0.000 0.531 197 E N 0.102 120.398 120.200 0.159 0.000 2.110 197 E HA -0.074 4.276 4.350 -0.001 0.000 0.193 197 E C 1.568 178.278 176.600 0.183 0.000 0.988 197 E CA 0.764 57.252 56.400 0.148 0.000 0.804 197 E CB -0.485 29.293 29.700 0.130 0.000 0.745 197 E HN 0.718 nan 8.360 nan 0.000 0.458 198 F N 1.920 121.888 119.950 0.030 0.000 2.095 198 F HA -0.223 4.304 4.527 -0.001 0.000 0.298 198 F C 2.335 178.196 175.800 0.102 0.000 1.104 198 F CA 1.384 59.409 58.000 0.041 0.000 1.232 198 F CB -0.648 38.349 39.000 -0.005 0.000 0.987 198 F HN 0.003 nan 8.300 nan 0.000 0.475 199 A N -0.071 122.866 122.820 0.195 0.000 1.908 199 A HA -0.263 4.057 4.320 -0.001 0.000 0.218 199 A C 2.258 179.898 177.584 0.093 0.000 1.181 199 A CA 2.167 54.326 52.037 0.204 0.000 0.627 199 A CB -0.740 18.422 19.000 0.270 0.000 0.818 199 A HN 0.462 nan 8.150 nan 0.000 0.445 200 K N -0.147 120.279 120.400 0.043 0.000 2.057 200 K HA -0.072 4.248 4.320 -0.001 0.000 0.207 200 K C 2.409 178.993 176.600 -0.026 0.000 1.049 200 K CA 1.481 57.770 56.287 0.004 0.000 0.931 200 K CB -0.230 32.294 32.500 0.040 0.000 0.714 200 K HN 0.418 nan 8.250 nan 0.000 0.440 201 S N 1.006 116.690 115.700 -0.027 0.000 2.353 201 S HA -0.136 4.333 4.470 -0.001 0.000 0.222 201 S C 1.743 176.277 174.600 -0.110 0.000 1.035 201 S CA 1.294 59.460 58.200 -0.058 0.000 1.025 201 S CB -0.126 63.039 63.200 -0.058 0.000 0.902 201 S HN 0.172 nan 8.310 nan 0.000 0.440 202 K N 0.855 121.162 120.400 -0.156 0.000 2.103 202 K HA 0.005 4.325 4.320 -0.001 0.000 0.207 202 K C 1.712 178.246 176.600 -0.109 0.000 1.048 202 K CA 0.949 57.202 56.287 -0.056 0.000 0.930 202 K CB -0.772 31.741 32.500 0.022 0.000 0.716 202 K HN 0.443 nan 8.250 nan 0.000 0.444 203 F N 2.084 121.610 119.950 -0.707 0.000 2.146 203 F HA -0.099 4.428 4.527 -0.001 0.000 0.298 203 F C 2.452 178.016 175.800 -0.393 0.000 1.096 203 F CA 1.373 58.638 58.000 -1.226 0.000 1.275 203 F CB -0.304 37.834 39.000 -1.437 0.000 1.008 203 F HN -0.045 nan 8.300 nan 0.000 0.480 204 R N 0.515 120.803 120.500 -0.353 0.000 2.096 204 R HA -0.139 4.201 4.340 -0.001 0.000 0.235 204 R C 2.192 178.379 176.300 -0.188 0.000 1.127 204 R CA 1.858 57.781 56.100 -0.295 0.000 0.968 204 R CB -0.525 29.695 30.300 -0.134 0.000 0.861 204 R HN 0.443 nan 8.270 nan 0.000 0.440 205 L N -0.774 120.387 121.223 -0.102 0.000 2.093 205 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 205 L C 2.330 179.201 176.870 0.002 0.000 1.085 205 L CA 1.280 56.096 54.840 -0.041 0.000 0.755 205 L CB -0.636 41.422 42.059 -0.003 0.000 0.904 205 L HN 0.374 nan 8.230 nan 0.000 0.435 206 W N 0.536 121.745 121.300 -0.151 0.000 2.338 206 W HA -0.220 4.440 4.660 -0.001 0.000 0.304 206 W C 2.303 178.742 176.519 -0.134 0.000 1.212 206 W CA 1.734 59.035 57.345 -0.072 0.000 1.264 206 W CB -0.234 29.243 29.460 0.029 0.000 1.142 206 W HN -0.207 nan 8.180 nan 0.000 0.512 207 V N 1.055 120.986 119.914 0.030 0.000 2.295 207 V HA -0.325 3.795 4.120 -0.001 0.000 0.246 207 V C 2.303 178.295 176.094 -0.171 0.000 1.049 207 V CA 2.034 64.289 62.300 -0.075 0.000 1.024 207 V CB -0.990 30.744 31.823 -0.148 0.000 0.648 207 V HN 0.230 nan 8.190 nan 0.000 0.447 208 L N 0.489 121.618 121.223 -0.157 0.000 2.191 208 L HA -0.180 4.160 4.340 -0.001 0.000 0.212 208 L C 2.404 179.175 176.870 -0.165 0.000 1.103 208 L CA 1.847 56.605 54.840 -0.136 0.000 0.769 208 L CB -0.817 41.177 42.059 -0.108 0.000 0.908 208 L HN 0.546 nan 8.230 nan 0.000 0.438 209 N N 0.761 119.335 118.700 -0.209 0.000 2.216 209 N HA -0.225 4.515 4.740 -0.001 0.000 0.183 209 N C 1.961 177.256 175.510 -0.359 0.000 1.017 209 N CA 0.921 53.827 53.050 -0.240 0.000 0.861 209 N CB 0.169 38.526 38.487 -0.217 0.000 0.986 209 N HN 0.307 nan 8.380 nan 0.000 0.428 210 K N -0.599 119.467 120.400 -0.557 0.000 2.062 210 K HA -0.139 4.180 4.320 -0.001 0.000 0.205 210 K C 1.129 177.326 176.600 -0.671 0.000 1.051 210 K CA 1.228 57.066 56.287 -0.748 0.000 0.941 210 K CB -0.030 31.782 32.500 -1.146 0.000 0.719 210 K HN 0.204 nan 8.250 nan 0.000 0.440 211 Y N -1.006 119.141 120.300 -0.255 0.000 2.503 211 Y HA 0.221 4.771 4.550 -0.001 0.000 0.277 211 Y C 1.741 177.534 175.900 -0.178 0.000 1.102 211 Y CA 0.534 58.503 58.100 -0.220 0.000 1.261 211 Y CB 0.611 38.897 38.460 -0.290 0.000 1.096 211 Y HN 0.388 nan 8.280 nan 0.000 0.546 212 G N 0.199 108.957 108.800 -0.070 0.000 2.377 212 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.250 212 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.250 212 G C 0.349 175.214 174.900 -0.058 0.000 1.039 212 G CA 0.613 45.669 45.100 -0.072 0.000 0.625 212 G HN 0.697 nan 8.290 nan 0.000 0.526 213 S N -1.345 114.324 115.700 -0.051 0.000 2.550 213 S HA 0.646 5.116 4.470 -0.001 0.000 0.270 213 S C 0.534 175.069 174.600 -0.109 0.000 1.145 213 S CA 0.165 58.323 58.200 -0.071 0.000 0.852 213 S CB 1.696 64.860 63.200 -0.060 0.000 1.119 213 S HN 1.204 nan 8.310 nan 0.000 0.465 214 L N 2.435 123.590 121.223 -0.113 0.000 2.051 214 L HA -0.143 4.197 4.340 -0.001 0.000 0.214 214 L C 1.683 178.456 176.870 -0.162 0.000 1.076 214 L CA 2.322 57.077 54.840 -0.141 0.000 0.758 214 L CB -1.679 40.321 42.059 -0.097 0.000 0.890 214 L HN 0.882 nan 8.230 nan 0.000 0.433 215 N N -1.140 117.487 118.700 -0.121 0.000 2.216 215 N HA -0.133 4.607 4.740 -0.001 0.000 0.183 215 N C 1.641 177.065 175.510 -0.144 0.000 1.017 215 N CA 1.138 54.121 53.050 -0.112 0.000 0.861 215 N CB -0.153 38.289 38.487 -0.074 0.000 0.986 215 N HN 0.355 nan 8.380 nan 0.000 0.428 216 E N 0.583 120.697 120.200 -0.143 0.000 2.106 216 E HA -0.073 4.277 4.350 -0.001 0.000 0.192 216 E C 2.101 178.469 176.600 -0.386 0.000 0.984 216 E CA 0.544 56.852 56.400 -0.154 0.000 0.806 216 E CB -0.205 29.472 29.700 -0.038 0.000 0.750 216 E HN 0.191 nan 8.360 nan 0.000 0.458 217 V N 2.564 122.182 119.914 -0.494 0.000 2.255 217 V HA -0.275 3.845 4.120 -0.001 0.000 0.247 217 V C 2.065 177.734 176.094 -0.709 0.000 1.051 217 V CA 1.802 63.529 62.300 -0.955 0.000 1.018 217 V CB -0.578 30.742 31.823 -0.838 0.000 0.641 217 V HN 0.216 nan 8.190 nan 0.000 0.445 218 N N 0.156 118.637 118.700 -0.365 0.000 2.104 218 N HA -0.200 4.540 4.740 -0.001 0.000 0.190 218 N C 1.882 177.315 175.510 -0.128 0.000 1.024 218 N CA 1.442 54.388 53.050 -0.173 0.000 0.853 218 N CB -0.396 38.031 38.487 -0.099 0.000 1.008 218 N HN 0.470 nan 8.380 nan 0.000 0.424 219 K N 0.699 121.006 120.400 -0.155 0.000 2.211 219 K HA -0.055 4.264 4.320 -0.001 0.000 0.204 219 K C 1.704 178.252 176.600 -0.087 0.000 1.047 219 K CA 1.161 57.390 56.287 -0.097 0.000 0.935 219 K CB 0.055 32.502 32.500 -0.089 0.000 0.728 219 K HN 0.133 nan 8.250 nan 0.000 0.452 220 A N -0.076 122.628 122.820 -0.194 0.000 1.887 220 A HA -0.074 4.245 4.320 -0.001 0.000 0.212 220 A C 1.389 179.055 177.584 0.136 0.000 1.198 220 A CA 0.496 52.470 52.037 -0.105 0.000 0.628 220 A CB -0.576 18.187 19.000 -0.396 0.000 0.847 220 A HN 0.400 nan 8.150 nan 0.000 0.449 221 W N -0.333 120.888 121.300 -0.131 0.000 3.047 221 W HA 0.324 4.984 4.660 -0.001 0.000 0.250 221 W C 1.571 178.076 176.519 -0.024 0.000 1.314 221 W CA 0.250 57.577 57.345 -0.030 0.000 1.540 221 W CB -0.951 28.503 29.460 -0.011 0.000 1.127 221 W HN 0.583 nan 8.180 nan 0.000 0.679 222 G N 1.299 110.197 108.800 0.163 0.000 2.221 222 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.265 222 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.265 222 G C 0.450 175.394 174.900 0.072 0.000 1.041 222 G CA 0.800 45.949 45.100 0.083 0.000 0.807 222 G HN 0.274 nan 8.290 nan 0.000 0.502 223 T N -3.270 111.343 114.554 0.098 0.000 2.893 223 T HA 0.767 5.117 4.350 -0.001 0.000 0.279 223 T C 0.217 174.932 174.700 0.025 0.000 0.991 223 T CA -0.546 61.595 62.100 0.069 0.000 0.950 223 T CB 2.205 71.157 68.868 0.140 0.000 1.223 223 T HN 0.144 nan 8.240 nan 0.000 0.585 224 K N 0.899 121.307 120.400 0.014 0.000 3.207 224 K HA 0.343 4.662 4.320 -0.001 0.000 0.166 224 K C -0.849 175.749 176.600 -0.005 0.000 1.079 224 K CA -0.244 56.040 56.287 -0.004 0.000 0.818 224 K CB 0.319 32.815 32.500 -0.007 0.000 0.967 224 K HN 0.505 nan 8.250 nan 0.000 0.594 225 L N 3.102 124.323 121.223 -0.003 0.000 2.380 225 L HA 0.212 4.552 4.340 -0.001 0.000 0.273 225 L C 1.661 178.520 176.870 -0.019 0.000 1.138 225 L CA -0.397 54.441 54.840 -0.004 0.000 0.832 225 L CB 0.417 42.480 42.059 0.007 0.000 1.124 225 L HN 0.388 nan 8.230 nan 0.000 0.454 226 I N -1.209 119.353 120.570 -0.013 0.000 3.645 226 I HA 0.133 4.303 4.170 -0.001 0.000 0.300 226 I C 0.811 176.917 176.117 -0.018 0.000 1.260 226 I CA 0.480 61.770 61.300 -0.017 0.000 1.365 226 I CB 0.047 38.040 38.000 -0.012 0.000 1.077 226 I HN 0.541 nan 8.210 nan 0.000 0.439 227 S N 1.048 116.739 115.700 -0.015 0.000 2.627 227 S HA 0.353 4.822 4.470 -0.001 0.000 0.283 227 S C 0.657 175.245 174.600 -0.021 0.000 1.127 227 S CA -0.504 57.686 58.200 -0.016 0.000 0.863 227 S CB 1.720 64.916 63.200 -0.007 0.000 1.121 227 S HN 0.318 nan 8.310 nan 0.000 0.479 228 E N 1.483 121.667 120.200 -0.027 0.000 2.427 228 E HA -0.013 4.337 4.350 -0.001 0.000 0.196 228 E C 1.160 177.750 176.600 -0.017 0.000 1.028 228 E CA 0.254 56.632 56.400 -0.037 0.000 0.864 228 E CB -0.160 29.509 29.700 -0.052 0.000 0.813 228 E HN 0.381 nan 8.360 nan 0.000 0.514 229 L N 1.027 122.248 121.223 -0.003 0.000 2.465 229 L HA 0.038 4.377 4.340 -0.001 0.000 0.224 229 L C 1.987 178.872 176.870 0.026 0.000 1.145 229 L CA 0.871 55.718 54.840 0.012 0.000 0.834 229 L CB -0.414 41.654 42.059 0.015 0.000 0.944 229 L HN 0.109 nan 8.230 nan 0.000 0.451 230 A N -1.322 121.513 122.820 0.025 0.000 2.307 230 A HA 0.240 4.559 4.320 -0.001 0.000 0.218 230 A C 0.964 178.596 177.584 0.080 0.000 1.228 230 A CA -0.269 51.792 52.037 0.040 0.000 0.857 230 A CB -0.570 18.445 19.000 0.026 0.000 0.897 230 A HN 0.230 nan 8.150 nan 0.000 0.495 231 I N 1.288 121.911 120.570 0.088 0.000 2.379 231 I HA 0.298 4.468 4.170 -0.001 0.000 0.290 231 I C -0.305 175.932 176.117 0.201 0.000 1.063 231 I CA 0.416 61.827 61.300 0.184 0.000 1.351 231 I CB 0.479 38.519 38.000 0.066 0.000 1.410 231 I HN 0.180 nan 8.210 nan 0.000 0.505 232 L N 7.449 128.847 121.223 0.291 0.000 2.397 232 L HA 0.611 4.950 4.340 -0.001 0.000 0.251 232 L C -2.443 174.538 176.870 0.185 0.000 1.064 232 L CA -1.942 53.033 54.840 0.226 0.000 0.859 232 L CB 2.082 44.199 42.059 0.096 0.000 1.468 232 L HN 0.310 nan 8.230 nan 0.000 0.411 233 P HA 0.252 nan 4.420 nan 0.000 0.274 233 P C -2.699 174.321 177.300 -0.467 0.000 1.256 233 P CA -1.538 61.174 63.100 -0.647 0.000 0.795 233 P CB -0.621 30.606 31.700 -0.788 0.000 1.038 234 P HA 0.021 nan 4.420 nan 0.000 0.267 234 P C 0.799 178.043 177.300 -0.093 0.000 1.205 234 P CA 0.322 63.172 63.100 -0.417 0.000 0.765 234 P CB 0.011 31.247 31.700 -0.774 0.000 0.828 235 S N 0.535 116.207 115.700 -0.046 0.000 2.481 235 S HA -0.042 4.427 4.470 -0.001 0.000 0.231 235 S C 0.509 175.109 174.600 -0.001 0.000 0.996 235 S CA 0.554 58.753 58.200 -0.002 0.000 0.942 235 S CB -0.334 62.858 63.200 -0.014 0.000 0.768 235 S HN 0.530 nan 8.310 nan 0.000 0.520 236 D N 0.025 120.437 120.400 0.020 0.000 2.375 236 D HA 0.441 5.081 4.640 -0.001 0.000 0.241 236 D C 0.891 177.260 176.300 0.116 0.000 1.361 236 D CA -0.209 53.818 54.000 0.046 0.000 0.995 236 D CB 0.945 41.769 40.800 0.040 0.000 1.312 236 D HN 0.001 nan 8.370 nan 0.000 0.576 237 G N 2.509 111.390 108.800 0.135 0.000 2.462 237 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.220 237 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.220 237 G C 1.052 176.117 174.900 0.275 0.000 1.121 237 G CA 0.601 45.868 45.100 0.279 0.000 0.758 237 G HN 0.549 nan 8.290 nan 0.000 0.559 238 E N -0.719 119.576 120.200 0.158 0.000 2.060 238 E HA -0.084 4.265 4.350 -0.001 0.000 0.189 238 E C 2.525 179.199 176.600 0.124 0.000 0.974 238 E CA 0.518 56.987 56.400 0.116 0.000 0.808 238 E CB 0.007 29.748 29.700 0.067 0.000 0.768 238 E HN 0.261 nan 8.360 nan 0.000 0.453 239 Q N 0.128 120.001 119.800 0.121 0.000 2.084 239 Q HA -0.152 4.188 4.340 -0.001 0.000 0.202 239 Q C 1.764 177.850 176.000 0.144 0.000 0.978 239 Q CA 1.268 57.133 55.803 0.104 0.000 0.844 239 Q CB -0.517 28.269 28.738 0.081 0.000 0.898 239 Q HN 0.298 nan 8.270 nan 0.000 0.426 240 F N -0.168 119.826 119.950 0.074 0.000 2.134 240 F HA -0.126 4.401 4.527 -0.001 0.000 0.299 240 F C 1.503 177.413 175.800 0.183 0.000 1.097 240 F CA 1.174 59.228 58.000 0.090 0.000 1.264 240 F CB -0.029 38.974 39.000 0.006 0.000 1.001 240 F HN 0.070 nan 8.300 nan 0.000 0.479 241 L N -0.767 120.623 121.223 0.278 0.000 2.478 241 L HA -0.127 4.213 4.340 -0.001 0.000 0.223 241 L C 2.200 179.076 176.870 0.010 0.000 1.140 241 L CA 0.579 55.483 54.840 0.106 0.000 0.842 241 L CB -0.432 41.694 42.059 0.113 0.000 0.953 241 L HN 0.264 nan 8.230 nan 0.000 0.452 242 M N -0.210 119.445 119.600 0.091 0.000 2.429 242 M HA -0.003 4.476 4.480 -0.001 0.000 0.265 242 M C 1.255 177.682 176.300 0.211 0.000 1.120 242 M CA 1.164 56.527 55.300 0.105 0.000 1.173 242 M CB 0.259 32.896 32.600 0.063 0.000 1.343 242 M HN 0.385 nan 8.290 nan 0.000 0.464 243 N N -1.811 116.961 118.700 0.119 0.000 1.899 243 N HA 0.045 4.785 4.740 -0.001 0.000 0.223 243 N C 1.051 176.417 175.510 -0.240 0.000 1.411 243 N CA 0.623 53.642 53.050 -0.052 0.000 0.737 243 N CB -0.628 37.821 38.487 -0.063 0.000 1.100 243 N HN 0.173 nan 8.380 nan 0.000 0.527 244 G N 1.288 109.952 108.800 -0.227 0.000 2.408 244 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.217 244 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.217 244 G C 1.241 175.739 174.900 -0.670 0.000 1.150 244 G CA 1.230 46.128 45.100 -0.337 0.000 0.776 244 G HN 0.485 nan 8.290 nan 0.000 0.542 245 Y N 0.513 120.151 120.300 -1.103 0.000 2.465 245 Y HA 0.088 4.638 4.550 -0.001 0.000 0.289 245 Y C 1.916 177.630 175.900 -0.311 0.000 1.150 245 Y CA 0.611 58.227 58.100 -0.806 0.000 1.293 245 Y CB -0.458 37.666 38.460 -0.559 0.000 0.977 245 Y HN 0.143 nan 8.280 nan 0.000 0.556 246 L N 0.508 121.207 121.223 -0.873 0.000 2.529 246 L HA 0.109 4.449 4.340 -0.001 0.000 0.223 246 L C 1.276 177.981 176.870 -0.276 0.000 1.113 246 L CA 0.225 54.694 54.840 -0.618 0.000 0.861 246 L CB -0.358 41.305 42.059 -0.659 0.000 1.012 246 L HN 0.281 nan 8.230 nan 0.000 0.461 247 S N -1.132 114.448 115.700 -0.200 0.000 2.669 247 S HA 0.160 4.630 4.470 -0.001 0.000 0.270 247 S C 0.881 175.470 174.600 -0.017 0.000 1.225 247 S CA -0.635 57.519 58.200 -0.077 0.000 0.991 247 S CB 1.299 64.475 63.200 -0.042 0.000 0.987 247 S HN 0.053 nan 8.310 nan 0.000 0.552 248 M N 0.785 120.414 119.600 0.048 0.000 2.149 248 M HA -0.061 4.419 4.480 -0.001 0.000 0.261 248 M C 1.713 178.041 176.300 0.046 0.000 1.064 248 M CA 1.695 57.078 55.300 0.139 0.000 1.102 248 M CB -1.247 31.518 32.600 0.276 0.000 1.369 248 M HN 0.878 nan 8.290 nan 0.000 0.408 249 Y N -0.201 119.859 120.300 -0.400 0.000 2.097 249 Y HA -0.077 4.473 4.550 -0.001 0.000 0.282 249 Y C 2.053 177.814 175.900 -0.231 0.000 1.152 249 Y CA 2.184 59.753 58.100 -0.885 0.000 1.136 249 Y CB -1.093 36.718 38.460 -1.082 0.000 0.975 249 Y HN 0.238 nan 8.280 nan 0.000 0.498 250 G N -0.047 108.658 108.800 -0.159 0.000 2.422 250 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.218 250 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.218 250 G C 1.622 176.575 174.900 0.089 0.000 1.146 250 G CA 1.030 46.155 45.100 0.041 0.000 0.769 250 G HN 0.358 nan 8.290 nan 0.000 0.547 251 K N 0.462 120.899 120.400 0.062 0.000 2.009 251 K HA -0.073 4.247 4.320 -0.001 0.000 0.210 251 K C 2.262 178.965 176.600 0.173 0.000 1.049 251 K CA 1.632 57.992 56.287 0.121 0.000 0.929 251 K CB -0.209 32.375 32.500 0.140 0.000 0.714 251 K HN 0.100 nan 8.250 nan 0.000 0.440 252 D N -0.685 119.872 120.400 0.261 0.000 2.116 252 D HA -0.204 4.436 4.640 -0.001 0.000 0.193 252 D C 1.823 178.284 176.300 0.269 0.000 0.998 252 D CA 1.161 55.453 54.000 0.486 0.000 0.836 252 D CB -0.371 40.947 40.800 0.863 0.000 0.951 252 D HN 0.204 nan 8.370 nan 0.000 0.449 253 Y N 1.099 121.336 120.300 -0.105 0.000 2.128 253 Y HA -0.152 4.397 4.550 -0.001 0.000 0.284 253 Y C 2.206 177.963 175.900 -0.238 0.000 1.154 253 Y CA 1.388 59.246 58.100 -0.402 0.000 1.149 253 Y CB -0.347 37.522 38.460 -0.986 0.000 0.976 253 Y HN -0.063 nan 8.280 nan 0.000 0.505 254 L N -0.002 121.135 121.223 -0.143 0.000 2.217 254 L HA -0.141 4.199 4.340 -0.001 0.000 0.211 254 L C 2.520 179.344 176.870 -0.076 0.000 1.107 254 L CA 1.498 56.292 54.840 -0.076 0.000 0.783 254 L CB -0.522 41.618 42.059 0.135 0.000 0.919 254 L HN 0.306 nan 8.230 nan 0.000 0.442 255 E N -0.088 120.081 120.200 -0.050 0.000 2.072 255 E HA -0.278 4.072 4.350 -0.001 0.000 0.191 255 E C 2.091 178.562 176.600 -0.216 0.000 0.985 255 E CA 1.453 57.820 56.400 -0.054 0.000 0.801 255 E CB -0.172 29.598 29.700 0.117 0.000 0.750 255 E HN 0.494 nan 8.360 nan 0.000 0.452 256 W N 0.351 121.226 121.300 -0.709 0.000 2.355 256 W HA -0.258 4.402 4.660 -0.001 0.000 0.309 256 W C 2.016 178.246 176.519 -0.482 0.000 1.206 256 W CA 1.853 58.644 57.345 -0.924 0.000 1.284 256 W CB -0.768 28.041 29.460 -1.084 0.000 1.145 256 W HN 0.172 nan 8.180 nan 0.000 0.502 257 Y N 1.356 121.278 120.300 -0.630 0.000 2.145 257 Y HA -0.302 4.248 4.550 -0.001 0.000 0.286 257 Y C 2.815 178.495 175.900 -0.367 0.000 1.145 257 Y CA 2.895 60.572 58.100 -0.705 0.000 1.148 257 Y CB -1.029 37.008 38.460 -0.705 0.000 0.981 257 Y HN 0.241 nan 8.280 nan 0.000 0.507 258 Q N -0.680 119.026 119.800 -0.157 0.000 2.123 258 Q HA -0.050 4.290 4.340 -0.001 0.000 0.199 258 Q C 2.397 178.307 176.000 -0.150 0.000 0.966 258 Q CA 1.231 56.970 55.803 -0.106 0.000 0.845 258 Q CB -0.548 28.192 28.738 0.003 0.000 0.907 258 Q HN 0.553 nan 8.270 nan 0.000 0.439 259 G N 1.639 110.323 108.800 -0.194 0.000 2.475 259 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.220 259 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.220 259 G C 1.331 176.108 174.900 -0.205 0.000 1.125 259 G CA 0.932 45.943 45.100 -0.149 0.000 0.755 259 G HN 0.365 nan 8.290 nan 0.000 0.565 260 I N 0.699 121.030 120.570 -0.399 0.000 2.361 260 I HA -0.061 4.109 4.170 -0.001 0.000 0.251 260 I C 2.728 178.724 176.117 -0.201 0.000 1.133 260 I CA 0.699 61.789 61.300 -0.350 0.000 1.413 260 I CB -1.053 36.646 38.000 -0.502 0.000 1.073 260 I HN 0.196 nan 8.210 nan 0.000 0.424 261 L N 0.010 121.122 121.223 -0.186 0.000 2.179 261 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 261 L C 2.431 179.322 176.870 0.034 0.000 1.096 261 L CA 0.884 55.672 54.840 -0.087 0.000 0.779 261 L CB -0.428 41.583 42.059 -0.080 0.000 0.922 261 L HN 0.225 nan 8.230 nan 0.000 0.443 262 E N 0.161 120.379 120.200 0.031 0.000 2.072 262 E HA -0.178 4.172 4.350 -0.001 0.000 0.191 262 E C 1.878 178.499 176.600 0.036 0.000 0.985 262 E CA 1.036 57.475 56.400 0.065 0.000 0.801 262 E CB -0.024 29.729 29.700 0.089 0.000 0.750 262 E HN 0.430 nan 8.360 nan 0.000 0.452 263 N N 0.360 119.073 118.700 0.021 0.000 2.120 263 N HA -0.175 4.564 4.740 -0.001 0.000 0.188 263 N C 1.729 177.264 175.510 0.041 0.000 1.024 263 N CA 1.145 54.212 53.050 0.027 0.000 0.852 263 N CB -0.473 38.026 38.487 0.020 0.000 1.003 263 N HN 0.241 nan 8.380 nan 0.000 0.424 264 H N 0.386 119.415 119.070 -0.067 0.000 2.456 264 H HA 0.040 4.596 4.556 -0.001 0.000 0.296 264 H C 1.490 176.785 175.328 -0.055 0.000 1.079 264 H CA 1.686 57.694 56.048 -0.067 0.000 1.322 264 H CB -0.169 29.544 29.762 -0.081 0.000 1.388 264 H HN 0.077 nan 8.280 nan 0.000 0.538 265 T N 0.151 114.649 114.554 -0.093 0.000 2.777 265 T HA -0.090 4.260 4.350 -0.001 0.000 0.266 265 T C 1.806 176.398 174.700 -0.180 0.000 1.040 265 T CA 1.560 63.528 62.100 -0.221 0.000 1.141 265 T CB 0.000 68.704 68.868 -0.273 0.000 0.868 265 T HN 0.388 nan 8.240 nan 0.000 0.444 266 K N 0.547 120.891 120.400 -0.093 0.000 2.155 266 K HA 0.075 4.395 4.320 -0.001 0.000 0.203 266 K C 2.123 178.698 176.600 -0.041 0.000 1.052 266 K CA 0.566 56.824 56.287 -0.048 0.000 0.948 266 K CB -0.256 32.237 32.500 -0.011 0.000 0.728 266 K HN 0.119 nan 8.250 nan 0.000 0.448 267 L N 1.941 123.126 121.223 -0.063 0.000 1.988 267 L HA -0.115 4.224 4.340 -0.001 0.000 0.207 267 L C 2.054 178.883 176.870 -0.070 0.000 1.071 267 L CA 1.475 56.278 54.840 -0.062 0.000 0.744 267 L CB -0.371 41.649 42.059 -0.065 0.000 0.893 267 L HN 0.239 nan 8.230 nan 0.000 0.433 268 I N -3.145 117.338 120.570 -0.145 0.000 2.493 268 I HA 0.017 4.187 4.170 -0.001 0.000 0.254 268 I C 2.161 178.322 176.117 0.072 0.000 1.160 268 I CA 1.276 62.571 61.300 -0.008 0.000 1.445 268 I CB -1.321 36.653 38.000 -0.043 0.000 1.086 268 I HN 0.239 nan 8.210 nan 0.000 0.433 269 G N 1.176 109.978 108.800 0.003 0.000 2.403 269 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.216 269 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.216 269 G C 1.575 176.583 174.900 0.181 0.000 1.154 269 G CA 0.787 45.929 45.100 0.070 0.000 0.784 269 G HN 0.617 nan 8.290 nan 0.000 0.538 270 E N 0.323 120.596 120.200 0.123 0.000 2.031 270 E HA -0.102 4.248 4.350 -0.001 0.000 0.193 270 E C 2.493 179.161 176.600 0.112 0.000 0.994 270 E CA 0.719 57.189 56.400 0.116 0.000 0.800 270 E CB -0.252 29.480 29.700 0.054 0.000 0.752 270 E HN 0.442 nan 8.360 nan 0.000 0.447 271 L N 0.552 121.834 121.223 0.099 0.000 2.042 271 L HA -0.183 4.157 4.340 -0.001 0.000 0.210 271 L C 2.782 179.750 176.870 0.163 0.000 1.076 271 L CA 1.243 56.149 54.840 0.109 0.000 0.749 271 L CB -0.597 41.504 42.059 0.068 0.000 0.893 271 L HN 0.224 nan 8.230 nan 0.000 0.432 272 A N -0.966 121.972 122.820 0.197 0.000 1.873 272 A HA -0.201 4.119 4.320 -0.001 0.000 0.215 272 A C 2.183 179.764 177.584 -0.004 0.000 1.186 272 A CA 1.245 53.311 52.037 0.049 0.000 0.616 272 A CB -0.759 18.258 19.000 0.028 0.000 0.823 272 A HN 0.383 nan 8.150 nan 0.000 0.442 273 H N 0.413 119.543 119.070 0.101 0.000 2.353 273 H HA -0.097 4.459 4.556 -0.001 0.000 0.300 273 H C 1.973 177.321 175.328 0.035 0.000 1.090 273 H CA 1.738 57.839 56.048 0.088 0.000 1.327 273 H CB -0.222 29.575 29.762 0.058 0.000 1.383 273 H HN 0.439 nan 8.280 nan 0.000 0.508 274 N N 0.679 119.451 118.700 0.119 0.000 2.069 274 N HA -0.109 4.631 4.740 -0.001 0.000 0.191 274 N C 2.045 177.525 175.510 -0.050 0.000 1.031 274 N CA 1.360 54.431 53.050 0.034 0.000 0.852 274 N CB -0.437 38.057 38.487 0.012 0.000 1.018 274 N HN 0.332 nan 8.380 nan 0.000 0.423 275 A N -0.510 122.189 122.820 -0.202 0.000 1.970 275 A HA 0.074 4.393 4.320 -0.001 0.000 0.216 275 A C 1.464 178.862 177.584 -0.310 0.000 1.170 275 A CA 0.802 52.613 52.037 -0.377 0.000 0.645 275 A CB -0.314 18.244 19.000 -0.737 0.000 0.816 275 A HN 0.191 nan 8.150 nan 0.000 0.447 276 F N -0.365 119.653 119.950 0.113 0.000 2.653 276 F HA 0.135 4.662 4.527 -0.001 0.000 0.288 276 F C 1.664 177.565 175.800 0.170 0.000 1.121 276 F CA -0.113 58.000 58.000 0.188 0.000 1.384 276 F CB -0.380 38.665 39.000 0.076 0.000 1.115 276 F HN 0.071 nan 8.300 nan 0.000 0.599 277 D N 0.361 120.929 120.400 0.279 0.000 2.092 277 D HA -0.183 4.457 4.640 -0.001 0.000 0.193 277 D C 2.441 178.824 176.300 0.138 0.000 0.994 277 D CA 2.519 56.651 54.000 0.219 0.000 0.828 277 D CB -0.866 40.057 40.800 0.204 0.000 0.963 277 D HN 0.303 nan 8.370 nan 0.000 0.450 278 T N -2.147 112.458 114.554 0.084 0.000 2.951 278 T HA -0.065 4.285 4.350 -0.001 0.000 0.268 278 T C 1.896 176.582 174.700 -0.023 0.000 1.073 278 T CA 1.641 63.756 62.100 0.025 0.000 1.134 278 T CB -0.450 68.420 68.868 0.003 0.000 0.884 278 T HN 0.020 nan 8.240 nan 0.000 0.479 279 T N 0.656 115.183 114.554 -0.045 0.000 2.852 279 T HA 0.218 4.568 4.350 -0.001 0.000 0.256 279 T C 1.268 175.749 174.700 -0.365 0.000 1.038 279 T CA 0.837 62.776 62.100 -0.267 0.000 1.141 279 T CB -0.337 68.217 68.868 -0.523 0.000 0.869 279 T HN 0.446 nan 8.240 nan 0.000 0.439 280 F N 0.639 120.623 119.950 0.056 0.000 2.559 280 F HA 0.327 4.854 4.527 -0.001 0.000 0.286 280 F C 1.076 176.889 175.800 0.023 0.000 1.108 280 F CA -0.412 57.603 58.000 0.025 0.000 1.436 280 F CB -0.278 38.724 39.000 0.003 0.000 1.130 280 F HN -0.039 nan 8.300 nan 0.000 0.584 281 Q N 1.012 120.939 119.800 0.212 0.000 2.463 281 Q HA -0.147 4.192 4.340 -0.001 0.000 0.299 281 Q C -0.781 175.291 176.000 0.119 0.000 1.353 281 Q CA 0.380 56.267 55.803 0.140 0.000 0.828 281 Q CB -1.727 27.063 28.738 0.086 0.000 1.157 281 Q HN 0.350 nan 8.270 nan 0.000 0.436 282 V N -4.594 115.385 119.914 0.109 0.000 3.113 282 V HA 0.830 4.950 4.120 -0.001 0.000 0.316 282 V C -2.386 173.708 176.094 0.000 0.000 1.125 282 V CA -2.529 59.793 62.300 0.037 0.000 1.026 282 V CB 1.527 33.339 31.823 -0.018 0.000 1.080 282 V HN -0.056 nan 8.190 nan 0.000 0.444 283 P HA 0.392 nan 4.420 nan 0.000 0.265 283 P C -0.789 176.427 177.300 -0.141 0.000 1.193 283 P CA 0.375 63.446 63.100 -0.048 0.000 0.765 283 P CB 0.160 31.820 31.700 -0.066 0.000 0.823 284 I N 1.741 122.239 120.570 -0.121 0.000 2.441 284 I HA 0.655 4.825 4.170 -0.001 0.000 0.295 284 I C 0.807 176.841 176.117 -0.138 0.000 0.994 284 I CA -0.371 60.800 61.300 -0.215 0.000 1.144 284 I CB 2.202 40.005 38.000 -0.329 0.000 1.314 284 I HN 0.365 nan 8.210 nan 0.000 0.445 285 G N 3.422 112.122 108.800 -0.167 0.000 2.733 285 G HA2 0.897 4.857 3.960 -0.001 0.000 0.288 285 G HA3 0.897 4.857 3.960 -0.001 0.000 0.288 285 G C -1.793 173.234 174.900 0.211 0.000 1.373 285 G CA -0.704 44.401 45.100 0.007 0.000 0.895 285 G HN 0.840 nan 8.290 nan 0.000 0.479 286 A N -0.153 122.888 122.820 0.368 0.000 2.606 286 A HA 0.827 5.146 4.320 -0.001 0.000 0.293 286 A C -0.937 176.909 177.584 0.437 0.000 1.082 286 A CA -0.772 51.486 52.037 0.367 0.000 0.685 286 A CB 1.653 20.780 19.000 0.212 0.000 1.284 286 A HN 0.564 nan 8.150 nan 0.000 0.408 287 K N 0.732 121.295 120.400 0.271 0.000 2.182 287 K HA 0.674 4.994 4.320 -0.001 0.000 0.262 287 K C -1.197 175.547 176.600 0.240 0.000 0.957 287 K CA -0.230 56.175 56.287 0.196 0.000 0.842 287 K CB 1.983 34.489 32.500 0.011 0.000 1.099 287 K HN 0.561 nan 8.250 nan 0.000 0.438 288 I N 2.392 123.096 120.570 0.224 0.000 2.377 288 I HA 0.254 4.424 4.170 -0.001 0.000 0.293 288 I C 0.247 176.491 176.117 0.211 0.000 0.987 288 I CA -0.721 60.737 61.300 0.264 0.000 1.185 288 I CB 1.766 39.883 38.000 0.196 0.000 1.341 288 I HN 0.689 nan 8.210 nan 0.000 0.455 289 A N 4.323 127.324 122.820 0.301 0.000 2.386 289 A HA 0.528 4.848 4.320 -0.001 0.000 0.248 289 A C 0.581 178.255 177.584 0.149 0.000 1.082 289 A CA -0.210 51.955 52.037 0.214 0.000 0.789 289 A CB 0.231 19.454 19.000 0.371 0.000 1.025 289 A HN 0.892 nan 8.150 nan 0.000 0.490 290 G N 0.445 109.217 108.800 -0.047 0.000 2.571 290 G HA2 0.478 4.437 3.960 -0.001 0.000 0.327 290 G HA3 0.478 4.437 3.960 -0.001 0.000 0.327 290 G C -0.542 174.479 174.900 0.202 0.000 1.008 290 G CA -0.195 44.910 45.100 0.009 0.000 1.136 290 G HN 0.652 nan 8.290 nan 0.000 0.444 291 V N 4.149 124.169 119.914 0.177 0.000 2.218 291 V HA 0.116 4.236 4.120 -0.001 0.000 0.261 291 V C 1.020 176.955 176.094 -0.265 0.000 1.142 291 V CA -0.473 61.616 62.300 -0.352 0.000 0.965 291 V CB -0.457 31.176 31.823 -0.318 0.000 1.190 291 V HN 0.976 nan 8.190 nan 0.000 0.478 292 H N 1.219 120.266 119.070 -0.038 0.000 2.544 292 H HA 0.081 4.636 4.556 -0.001 0.000 0.269 292 H C 0.727 176.226 175.328 0.284 0.000 0.970 292 H CA -0.424 55.730 56.048 0.176 0.000 1.219 292 H CB -0.148 29.734 29.762 0.201 0.000 1.421 292 H HN 0.623 nan 8.280 nan 0.000 0.555 293 W N 0.847 122.086 121.300 -0.103 0.000 2.093 293 W HA 0.328 4.988 4.660 -0.000 0.000 0.352 293 W C 0.168 176.743 176.519 0.094 0.000 1.294 293 W CA -0.927 56.447 57.345 0.048 0.000 1.290 293 W CB 0.765 30.180 29.460 -0.074 0.000 1.149 293 W HN 0.018 nan 8.180 nan 0.000 0.606 294 Q N 0.001 119.956 119.800 0.259 0.000 2.439 294 Q HA -0.365 3.974 4.340 -0.001 0.000 0.247 294 Q C 0.711 176.717 176.000 0.010 0.000 0.899 294 Q CA 1.786 57.659 55.803 0.115 0.000 1.201 294 Q CB -2.768 25.979 28.738 0.015 0.000 1.608 294 Q HN 0.901 nan 8.270 nan 0.000 0.563 295 Y N 2.244 122.533 120.300 -0.019 0.000 2.114 295 Y HA -0.181 4.369 4.550 -0.001 0.000 0.284 295 Y C 1.711 177.391 175.900 -0.366 0.000 1.143 295 Y CA 2.369 60.398 58.100 -0.118 0.000 1.135 295 Y CB 0.118 38.638 38.460 0.101 0.000 0.980 295 Y HN 0.459 nan 8.280 nan 0.000 0.499 296 N N -0.008 118.739 118.700 0.079 0.000 2.328 296 N HA -0.012 4.727 4.740 -0.001 0.000 0.247 296 N C -0.849 174.442 175.510 -0.364 0.000 1.165 296 N CA -0.136 52.869 53.050 -0.075 0.000 0.873 296 N CB -0.902 37.710 38.487 0.209 0.000 1.125 296 N HN 0.240 nan 8.380 nan 0.000 0.513 297 N N 2.518 120.817 118.700 -0.669 0.000 2.412 297 N HA 0.023 4.762 4.740 -0.001 0.000 0.258 297 N C -1.442 173.711 175.510 -0.595 0.000 1.236 297 N CA -0.843 51.485 53.050 -1.204 0.000 0.882 297 N CB 1.330 39.396 38.487 -0.702 0.000 1.066 297 N HN 0.115 nan 8.380 nan 0.000 0.465 298 P HA -0.014 nan 4.420 nan 0.000 0.227 298 P C 0.891 178.117 177.300 -0.124 0.000 1.161 298 P CA 1.092 64.079 63.100 -0.187 0.000 0.788 298 P CB 0.186 31.840 31.700 -0.077 0.000 0.822 299 T N -1.977 112.504 114.554 -0.122 0.000 3.034 299 T HA 0.135 4.485 4.350 -0.001 0.000 0.248 299 T C 1.146 175.805 174.700 -0.068 0.000 1.040 299 T CA 0.101 62.168 62.100 -0.056 0.000 1.107 299 T CB -0.793 68.065 68.868 -0.016 0.000 0.932 299 T HN 0.125 nan 8.240 nan 0.000 0.474 300 I N 0.641 121.139 120.570 -0.121 0.000 2.692 300 I HA 0.497 4.666 4.170 -0.001 0.000 0.285 300 I C -3.029 172.955 176.117 -0.221 0.000 1.191 300 I CA -2.894 58.326 61.300 -0.133 0.000 1.128 300 I CB 0.974 38.925 38.000 -0.081 0.000 1.585 300 I HN -0.193 nan 8.210 nan 0.000 0.558 301 P HA 0.004 nan 4.420 nan 0.000 0.267 301 P C -0.118 176.983 177.300 -0.332 0.000 1.205 301 P CA 0.604 63.480 63.100 -0.374 0.000 0.765 301 P CB 0.188 31.707 31.700 -0.301 0.000 0.828 302 H N 1.259 120.183 119.070 -0.244 0.000 2.776 302 H HA -0.154 4.402 4.556 -0.001 0.000 0.300 302 H C 1.470 176.692 175.328 -0.177 0.000 1.161 302 H CA 1.030 56.950 56.048 -0.213 0.000 1.147 302 H CB -2.187 27.439 29.762 -0.227 0.000 1.366 302 H HN 0.729 nan 8.280 nan 0.000 0.397 303 G N -0.390 108.339 108.800 -0.117 0.000 2.708 303 G HA2 0.102 4.061 3.960 -0.001 0.000 0.210 303 G HA3 0.102 4.061 3.960 -0.001 0.000 0.210 303 G C 1.455 176.279 174.900 -0.128 0.000 1.141 303 G CA 0.767 45.806 45.100 -0.101 0.000 0.788 303 G HN 0.593 nan 8.290 nan 0.000 0.531 304 A N -0.088 122.614 122.820 -0.196 0.000 2.108 304 A HA 0.370 4.689 4.320 -0.001 0.000 0.206 304 A C 1.910 179.328 177.584 -0.276 0.000 1.212 304 A CA 0.799 52.640 52.037 -0.326 0.000 0.843 304 A CB 0.259 18.762 19.000 -0.828 0.000 0.902 304 A HN 0.325 nan 8.150 nan 0.000 0.477 305 E N 0.541 120.651 120.200 -0.150 0.000 2.051 305 E HA -0.084 4.265 4.350 -0.001 0.000 0.189 305 E C 1.760 178.343 176.600 -0.029 0.000 0.979 305 E CA 1.002 57.389 56.400 -0.023 0.000 0.803 305 E CB -0.066 29.701 29.700 0.112 0.000 0.761 305 E HN 0.478 nan 8.360 nan 0.000 0.451 306 K N 0.367 120.765 120.400 -0.003 0.000 2.044 306 K HA -0.146 4.173 4.320 -0.001 0.000 0.210 306 K C -0.804 175.847 176.600 0.085 0.000 1.049 306 K CA 1.499 57.847 56.287 0.102 0.000 0.927 306 K CB -1.040 31.582 32.500 0.203 0.000 0.713 306 K HN 0.121 nan 8.250 nan 0.000 0.443 307 P HA -0.082 nan 4.420 nan 0.000 0.221 307 P C 0.861 178.148 177.300 -0.022 0.000 1.150 307 P CA 1.237 64.044 63.100 -0.487 0.000 0.800 307 P CB 0.024 31.273 31.700 -0.750 0.000 0.787 308 A N -0.798 121.983 122.820 -0.066 0.000 2.121 308 A HA 0.274 4.594 4.320 -0.001 0.000 0.218 308 A C 1.813 179.268 177.584 -0.214 0.000 1.154 308 A CA 1.487 53.449 52.037 -0.125 0.000 0.679 308 A CB -1.283 17.561 19.000 -0.260 0.000 0.795 308 A HN 0.284 nan 8.150 nan 0.000 0.458 309 G N -3.230 105.525 108.800 -0.075 0.000 2.211 309 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.201 309 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.201 309 G C -0.238 174.672 174.900 0.017 0.000 0.997 309 G CA 0.010 45.082 45.100 -0.047 0.000 0.652 309 G HN 0.331 nan 8.290 nan 0.000 0.500 310 Y N 1.860 122.170 120.300 0.017 0.000 2.700 310 Y HA 0.492 5.042 4.550 -0.001 0.000 0.333 310 Y C 1.034 176.757 175.900 -0.295 0.000 1.036 310 Y CA -1.457 56.512 58.100 -0.218 0.000 1.287 310 Y CB 0.379 38.627 38.460 -0.355 0.000 1.132 310 Y HN 0.278 nan 8.280 nan 0.000 0.510 311 N N 1.098 119.772 118.700 -0.042 0.000 2.454 311 N HA -0.071 4.669 4.740 -0.001 0.000 0.177 311 N C -0.769 174.650 175.510 -0.151 0.000 1.049 311 N CA 0.449 53.458 53.050 -0.069 0.000 0.887 311 N CB 0.673 39.186 38.487 0.042 0.000 1.095 311 N HN 0.491 nan 8.380 nan 0.000 0.446 312 D N -0.287 120.027 120.400 -0.143 0.000 2.323 312 D HA 0.069 4.709 4.640 -0.001 0.000 0.242 312 D C -0.072 176.227 176.300 -0.003 0.000 1.347 312 D CA -0.520 53.442 54.000 -0.062 0.000 0.988 312 D CB -0.002 40.812 40.800 0.023 0.000 1.314 312 D HN -0.050 nan 8.370 nan 0.000 0.564 313 Y N 1.496 121.802 120.300 0.009 0.000 2.256 313 Y HA -0.159 4.391 4.550 -0.001 0.000 0.288 313 Y C 2.581 178.461 175.900 -0.032 0.000 1.155 313 Y CA 1.394 59.455 58.100 -0.064 0.000 1.203 313 Y CB -0.310 38.061 38.460 -0.148 0.000 0.980 313 Y HN 0.372 nan 8.280 nan 0.000 0.530 314 S N -1.197 114.600 115.700 0.161 0.000 2.368 314 S HA -0.208 4.262 4.470 -0.001 0.000 0.224 314 S C 2.021 176.661 174.600 0.066 0.000 1.029 314 S CA 1.193 59.445 58.200 0.086 0.000 0.988 314 S CB -0.379 62.867 63.200 0.076 0.000 0.838 314 S HN 0.544 nan 8.310 nan 0.000 0.462 315 H N -0.005 119.103 119.070 0.063 0.000 2.389 315 H HA -0.038 4.518 4.556 -0.001 0.000 0.299 315 H C 2.160 177.548 175.328 0.100 0.000 1.081 315 H CA 1.628 57.721 56.048 0.074 0.000 1.345 315 H CB -0.279 29.524 29.762 0.068 0.000 1.393 315 H HN 0.329 nan 8.280 nan 0.000 0.520 316 L N 0.940 122.301 121.223 0.230 0.000 2.046 316 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 316 L C 2.334 179.349 176.870 0.241 0.000 1.077 316 L CA 1.266 56.241 54.840 0.224 0.000 0.747 316 L CB -0.606 41.558 42.059 0.175 0.000 0.896 316 L HN 0.160 nan 8.230 nan 0.000 0.432 317 L N -1.039 120.247 121.223 0.106 0.000 2.156 317 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 317 L C 2.073 179.031 176.870 0.146 0.000 1.095 317 L CA 0.852 55.715 54.840 0.039 0.000 0.770 317 L CB -0.758 41.252 42.059 -0.082 0.000 0.914 317 L HN 0.258 nan 8.230 nan 0.000 0.439 318 D N 0.433 120.890 120.400 0.095 0.000 2.182 318 D HA -0.167 4.473 4.640 -0.001 0.000 0.201 318 D C 2.181 178.555 176.300 0.123 0.000 0.986 318 D CA 1.386 55.427 54.000 0.068 0.000 0.847 318 D CB 0.095 40.881 40.800 -0.024 0.000 0.942 318 D HN 0.316 nan 8.370 nan 0.000 0.467 319 A N -0.073 122.859 122.820 0.187 0.000 1.898 319 A HA -0.129 4.191 4.320 -0.001 0.000 0.216 319 A C 2.002 179.665 177.584 0.131 0.000 1.181 319 A CA 0.792 52.918 52.037 0.148 0.000 0.620 319 A CB -0.828 18.261 19.000 0.147 0.000 0.819 319 A HN 0.121 nan 8.150 nan 0.000 0.442 320 F N 0.193 120.173 119.950 0.049 0.000 2.134 320 F HA -0.121 4.406 4.527 -0.001 0.000 0.299 320 F C 2.299 178.126 175.800 0.046 0.000 1.097 320 F CA 1.912 59.945 58.000 0.054 0.000 1.264 320 F CB -0.246 38.785 39.000 0.052 0.000 1.001 320 F HN 0.115 nan 8.300 nan 0.000 0.479 321 K N 0.681 121.217 120.400 0.227 0.000 2.009 321 K HA -0.193 4.127 4.320 -0.001 0.000 0.210 321 K C 2.393 179.039 176.600 0.078 0.000 1.049 321 K CA 1.928 58.289 56.287 0.123 0.000 0.929 321 K CB -0.961 31.587 32.500 0.081 0.000 0.714 321 K HN 0.186 nan 8.250 nan 0.000 0.440 322 S N -0.628 115.112 115.700 0.067 0.000 2.399 322 S HA -0.055 4.414 4.470 -0.001 0.000 0.231 322 S C 1.824 176.435 174.600 0.019 0.000 1.022 322 S CA 1.186 59.407 58.200 0.035 0.000 0.983 322 S CB -0.309 62.912 63.200 0.036 0.000 0.803 322 S HN 0.349 nan 8.310 nan 0.000 0.480 323 A N 0.563 123.396 122.820 0.022 0.000 2.275 323 A HA 0.401 4.721 4.320 -0.001 0.000 0.212 323 A C 0.740 178.368 177.584 0.073 0.000 1.201 323 A CA 0.072 52.121 52.037 0.019 0.000 0.843 323 A CB -0.478 18.501 19.000 -0.035 0.000 0.873 323 A HN 0.589 nan 8.150 nan 0.000 0.492 324 K N -0.909 119.535 120.400 0.073 0.000 3.162 324 K HA -0.153 4.167 4.320 -0.001 0.000 0.268 324 K C -0.946 175.801 176.600 0.244 0.000 1.062 324 K CA 0.555 56.912 56.287 0.116 0.000 0.769 324 K CB -2.045 30.432 32.500 -0.038 0.000 1.274 324 K HN 0.517 nan 8.250 nan 0.000 0.478 325 L N 0.552 121.876 121.223 0.168 0.000 2.334 325 L HA 0.393 4.733 4.340 -0.001 0.000 0.273 325 L C 0.412 177.433 176.870 0.252 0.000 1.013 325 L CA -1.140 53.795 54.840 0.158 0.000 0.816 325 L CB 1.264 43.328 42.059 0.008 0.000 1.278 325 L HN -0.011 nan 8.230 nan 0.000 0.431 326 D N 1.101 121.615 120.400 0.189 0.000 2.264 326 D HA 0.359 4.998 4.640 -0.001 0.000 0.249 326 D C -0.497 175.968 176.300 0.276 0.000 1.070 326 D CA -0.141 53.964 54.000 0.175 0.000 0.912 326 D CB 2.076 42.918 40.800 0.070 0.000 1.193 326 D HN 0.008 nan 8.370 nan 0.000 0.427 327 V N 1.541 121.572 119.914 0.195 0.000 2.394 327 V HA 0.337 4.456 4.120 -0.001 0.000 0.282 327 V C 0.495 176.715 176.094 0.209 0.000 1.031 327 V CA -0.582 61.806 62.300 0.148 0.000 0.881 327 V CB 1.609 33.341 31.823 -0.151 0.000 0.982 327 V HN 0.445 nan 8.190 nan 0.000 0.451 328 T N 5.821 120.550 114.554 0.292 0.000 2.767 328 T HA 0.599 4.949 4.350 -0.001 0.000 0.284 328 T C -0.779 174.097 174.700 0.292 0.000 0.973 328 T CA 0.029 62.315 62.100 0.310 0.000 0.996 328 T CB 0.688 69.740 68.868 0.305 0.000 0.927 328 T HN 0.458 nan 8.240 nan 0.000 0.456 329 F N 1.465 121.516 119.950 0.169 0.000 2.598 329 F HA 0.732 5.259 4.527 -0.001 0.000 0.327 329 F C 0.342 176.224 175.800 0.136 0.000 1.057 329 F CA -0.476 57.600 58.000 0.127 0.000 0.957 329 F CB 2.259 41.326 39.000 0.112 0.000 1.278 329 F HN 0.503 nan 8.300 nan 0.000 0.484 330 T N 0.044 114.101 114.554 -0.828 0.000 2.742 330 T HA 0.424 4.774 4.350 -0.001 0.000 0.282 330 T C -0.594 173.925 174.700 -0.301 0.000 1.025 330 T CA 0.188 62.047 62.100 -0.402 0.000 1.020 330 T CB 0.841 69.502 68.868 -0.345 0.000 1.317 330 T HN 0.903 nan 8.240 nan 0.000 0.538 331 C N 0.886 120.117 119.300 -0.116 0.000 4.534 331 C HA -0.098 4.362 4.460 -0.001 0.000 0.275 331 C C 1.858 176.830 174.990 -0.031 0.000 1.291 331 C CA 0.277 59.254 59.018 -0.068 0.000 1.876 331 C CB -2.977 24.717 27.740 -0.076 0.000 1.339 331 C HN 0.785 nan 8.230 nan 0.000 0.746 332 L N 1.248 122.471 121.223 -0.001 0.000 2.362 332 L HA -0.088 4.252 4.340 -0.001 0.000 0.219 332 L C 2.543 179.369 176.870 -0.073 0.000 1.134 332 L CA 2.058 56.868 54.840 -0.049 0.000 0.807 332 L CB -0.520 41.446 42.059 -0.155 0.000 0.927 332 L HN 0.700 nan 8.230 nan 0.000 0.447 333 E N 0.535 120.711 120.200 -0.040 0.000 2.489 333 E HA -0.008 4.342 4.350 -0.001 0.000 0.193 333 E C 0.760 177.322 176.600 -0.062 0.000 1.057 333 E CA 0.092 56.460 56.400 -0.052 0.000 0.866 333 E CB 0.154 29.843 29.700 -0.019 0.000 0.916 333 E HN 0.428 nan 8.360 nan 0.000 0.500 334 M N 0.983 120.537 119.600 -0.077 0.000 2.513 334 M HA 0.308 4.788 4.480 -0.001 0.000 0.291 334 M C 0.194 176.448 176.300 -0.076 0.000 1.190 334 M CA -0.465 54.778 55.300 -0.096 0.000 0.960 334 M CB 1.746 34.243 32.600 -0.172 0.000 1.517 334 M HN -0.093 nan 8.290 nan 0.000 0.499 335 T N -2.942 111.571 114.554 -0.067 0.000 2.907 335 T HA 0.402 4.752 4.350 -0.001 0.000 0.292 335 T C -0.834 173.845 174.700 -0.036 0.000 1.043 335 T CA -1.153 60.924 62.100 -0.039 0.000 1.003 335 T CB 1.322 70.179 68.868 -0.018 0.000 1.084 335 T HN 0.416 nan 8.240 nan 0.000 0.483 336 D N 1.162 121.549 120.400 -0.022 0.000 2.493 336 D HA 0.232 4.872 4.640 -0.001 0.000 0.240 336 D C 0.682 176.992 176.300 0.016 0.000 1.142 336 D CA 0.127 54.121 54.000 -0.010 0.000 0.872 336 D CB 1.401 42.197 40.800 -0.007 0.000 1.173 336 D HN 0.589 nan 8.370 nan 0.000 0.467 337 K N 0.372 120.796 120.400 0.040 0.000 2.313 337 K HA 0.221 4.541 4.320 -0.001 0.000 0.215 337 K C 1.308 177.946 176.600 0.063 0.000 1.109 337 K CA 0.332 56.648 56.287 0.048 0.000 0.895 337 K CB 0.330 32.862 32.500 0.054 0.000 1.234 337 K HN 0.505 nan 8.250 nan 0.000 0.463 338 G N 1.478 110.338 108.800 0.100 0.000 2.179 338 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.260 338 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.260 338 G C 0.138 175.103 174.900 0.108 0.000 0.977 338 G CA 0.639 45.829 45.100 0.150 0.000 0.641 338 G HN 0.470 nan 8.290 nan 0.000 0.533 339 S N -0.767 114.913 115.700 -0.034 0.000 2.638 339 S HA 0.679 5.148 4.470 -0.001 0.000 0.298 339 S C 0.005 174.299 174.600 -0.510 0.000 1.111 339 S CA -0.586 57.520 58.200 -0.157 0.000 1.027 339 S CB 2.093 65.262 63.200 -0.051 0.000 1.064 339 S HN 1.266 nan 8.310 nan 0.000 0.525 340 Y N 3.169 123.039 120.300 -0.717 0.000 2.597 340 Y HA 0.304 4.853 4.550 -0.001 0.000 0.336 340 Y C -1.357 174.328 175.900 -0.359 0.000 1.216 340 Y CA -0.969 56.678 58.100 -0.755 0.000 1.463 340 Y CB 0.658 38.930 38.460 -0.314 0.000 1.303 340 Y HN 0.610 nan 8.280 nan 0.000 0.576 341 P HA 0.058 nan 4.420 nan 0.000 0.245 341 P C 0.296 177.257 177.300 -0.566 0.000 1.199 341 P CA 0.745 63.117 63.100 -1.213 0.000 0.807 341 P CB 0.544 31.519 31.700 -1.209 0.000 1.002 342 E N -0.639 119.345 120.200 -0.360 0.000 2.204 342 E HA -0.122 4.227 4.350 -0.001 0.000 0.194 342 E C 0.020 176.680 176.600 0.100 0.000 0.989 342 E CA 0.438 56.745 56.400 -0.154 0.000 0.824 342 E CB -1.096 28.572 29.700 -0.053 0.000 0.756 342 E HN 0.138 nan 8.360 nan 0.000 0.477 343 Y N 0.343 120.671 120.300 0.047 0.000 3.396 343 Y HA -0.277 4.272 4.550 -0.001 0.000 0.214 343 Y C 0.251 176.262 175.900 0.186 0.000 1.203 343 Y CA 0.642 58.806 58.100 0.106 0.000 1.401 343 Y CB -2.244 36.261 38.460 0.075 0.000 1.409 343 Y HN -0.075 nan 8.280 nan 0.000 0.594 344 S N 1.207 117.103 115.700 0.326 0.000 2.481 344 S HA 0.488 4.958 4.470 -0.001 0.000 0.276 344 S C 0.463 175.202 174.600 0.232 0.000 1.247 344 S CA -0.499 57.942 58.200 0.401 0.000 1.053 344 S CB 0.115 63.601 63.200 0.477 0.000 0.925 344 S HN 0.285 nan 8.310 nan 0.000 0.491 345 M N 7.542 127.209 119.600 0.112 0.000 2.952 345 M HA 0.254 4.733 4.480 -0.001 0.000 0.259 345 M C -2.202 173.972 176.300 -0.210 0.000 1.306 345 M CA -1.786 53.422 55.300 -0.154 0.000 0.626 345 M CB 0.836 33.155 32.600 -0.469 0.000 1.423 345 M HN 0.385 nan 8.290 nan 0.000 0.459 346 P HA -0.136 nan 4.420 nan 0.000 0.218 346 P C 1.393 178.649 177.300 -0.074 0.000 1.149 346 P CA 1.423 64.470 63.100 -0.089 0.000 0.817 346 P CB 0.351 31.871 31.700 -0.300 0.000 0.785 347 K N -0.710 119.635 120.400 -0.090 0.000 2.116 347 K HA -0.024 4.296 4.320 -0.001 0.000 0.203 347 K C 1.923 178.468 176.600 -0.092 0.000 1.052 347 K CA 1.264 57.510 56.287 -0.069 0.000 0.952 347 K CB -0.371 32.103 32.500 -0.042 0.000 0.729 347 K HN -0.060 nan 8.250 nan 0.000 0.446 348 T N 1.811 116.289 114.554 -0.127 0.000 2.881 348 T HA -0.086 4.264 4.350 -0.001 0.000 0.270 348 T C 1.563 176.186 174.700 -0.129 0.000 1.068 348 T CA 0.693 62.723 62.100 -0.117 0.000 1.131 348 T CB 0.017 68.806 68.868 -0.131 0.000 0.871 348 T HN 0.177 nan 8.240 nan 0.000 0.479 349 L N 0.646 121.763 121.223 -0.177 0.000 2.023 349 L HA -0.062 4.277 4.340 -0.001 0.000 0.205 349 L C 2.508 179.274 176.870 -0.174 0.000 1.073 349 L CA 1.201 55.983 54.840 -0.097 0.000 0.745 349 L CB -0.408 41.673 42.059 0.036 0.000 0.900 349 L HN 0.122 nan 8.230 nan 0.000 0.435 350 V N 0.159 120.038 119.914 -0.058 0.000 2.282 350 V HA -0.367 3.753 4.120 -0.001 0.000 0.249 350 V C 2.511 178.457 176.094 -0.246 0.000 1.057 350 V CA 2.006 64.275 62.300 -0.052 0.000 1.032 350 V CB -0.660 31.222 31.823 0.098 0.000 0.645 350 V HN 0.559 nan 8.190 nan 0.000 0.447 351 Q N -0.208 119.423 119.800 -0.283 0.000 2.050 351 Q HA -0.235 4.105 4.340 -0.001 0.000 0.202 351 Q C 2.154 178.012 176.000 -0.238 0.000 0.980 351 Q CA 1.978 57.546 55.803 -0.391 0.000 0.840 351 Q CB -0.389 28.199 28.738 -0.250 0.000 0.898 351 Q HN 0.739 nan 8.270 nan 0.000 0.424 352 N N 0.205 118.794 118.700 -0.185 0.000 2.084 352 N HA -0.159 4.581 4.740 -0.001 0.000 0.190 352 N C 1.766 177.117 175.510 -0.265 0.000 1.030 352 N CA 0.809 53.767 53.050 -0.153 0.000 0.849 352 N CB 0.006 38.441 38.487 -0.088 0.000 1.012 352 N HN 0.121 nan 8.380 nan 0.000 0.423 353 I N 1.674 121.964 120.570 -0.468 0.000 2.142 353 I HA -0.205 3.965 4.170 -0.001 0.000 0.240 353 I C 2.593 178.460 176.117 -0.416 0.000 1.078 353 I CA 0.892 61.831 61.300 -0.602 0.000 1.343 353 I CB -1.739 35.595 38.000 -1.110 0.000 1.046 353 I HN 0.081 nan 8.210 nan 0.000 0.405 354 A N 0.318 122.911 122.820 -0.378 0.000 1.892 354 A HA -0.243 4.077 4.320 -0.001 0.000 0.218 354 A C 2.440 179.927 177.584 -0.162 0.000 1.188 354 A CA 2.724 54.575 52.037 -0.309 0.000 0.631 354 A CB -1.265 17.556 19.000 -0.298 0.000 0.822 354 A HN 0.469 nan 8.150 nan 0.000 0.447 355 T N 0.471 114.968 114.554 -0.095 0.000 2.652 355 T HA -0.139 4.210 4.350 -0.001 0.000 0.267 355 T C 1.827 176.497 174.700 -0.051 0.000 1.039 355 T CA 1.552 63.641 62.100 -0.018 0.000 1.153 355 T CB -0.447 68.431 68.868 0.017 0.000 0.863 355 T HN 0.359 nan 8.240 nan 0.000 0.428 356 L N 0.533 121.702 121.223 -0.089 0.000 2.079 356 L HA -0.138 4.202 4.340 -0.001 0.000 0.210 356 L C 2.976 179.793 176.870 -0.089 0.000 1.081 356 L CA 1.257 56.050 54.840 -0.079 0.000 0.752 356 L CB -0.595 41.405 42.059 -0.100 0.000 0.896 356 L HN 0.281 nan 8.230 nan 0.000 0.433 357 A N -0.084 122.655 122.820 -0.135 0.000 1.872 357 A HA -0.177 4.142 4.320 -0.001 0.000 0.214 357 A C 2.046 179.576 177.584 -0.090 0.000 1.187 357 A CA 1.575 53.533 52.037 -0.131 0.000 0.614 357 A CB -0.524 18.357 19.000 -0.198 0.000 0.826 357 A HN 0.405 nan 8.150 nan 0.000 0.442 358 N N -0.099 118.547 118.700 -0.090 0.000 2.149 358 N HA -0.195 4.545 4.740 -0.001 0.000 0.188 358 N C 1.694 177.188 175.510 -0.027 0.000 1.019 358 N CA 1.610 54.629 53.050 -0.052 0.000 0.857 358 N CB -0.406 38.058 38.487 -0.038 0.000 0.997 358 N HN 0.790 nan 8.380 nan 0.000 0.426 359 E N 0.951 121.136 120.200 -0.024 0.000 2.204 359 E HA -0.107 4.242 4.350 -0.001 0.000 0.195 359 E C 0.903 177.497 176.600 -0.010 0.000 0.990 359 E CA 1.000 57.395 56.400 -0.009 0.000 0.821 359 E CB 0.164 29.861 29.700 -0.005 0.000 0.750 359 E HN 0.279 nan 8.360 nan 0.000 0.477 360 K N -0.983 119.406 120.400 -0.019 0.000 2.374 360 K HA 0.157 4.477 4.320 -0.001 0.000 0.196 360 K C 0.696 177.293 176.600 -0.004 0.000 1.023 360 K CA 0.421 56.702 56.287 -0.011 0.000 1.103 360 K CB 0.916 33.408 32.500 -0.013 0.000 0.848 360 K HN 0.228 nan 8.250 nan 0.000 0.528 361 G N 2.240 111.035 108.800 -0.008 0.000 2.198 361 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.257 361 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.257 361 G C -0.057 174.845 174.900 0.004 0.000 1.042 361 G CA -0.142 44.957 45.100 -0.002 0.000 0.791 361 G HN 0.228 nan 8.290 nan 0.000 0.502 362 I N 0.360 120.927 120.570 -0.006 0.000 2.396 362 I HA 0.316 4.486 4.170 -0.001 0.000 0.292 362 I C 1.138 177.257 176.117 0.002 0.000 0.999 362 I CA -1.104 60.203 61.300 0.012 0.000 1.310 362 I CB 1.605 39.607 38.000 0.004 0.000 1.404 362 I HN -0.094 nan 8.210 nan 0.000 0.496 363 V N 6.834 126.765 119.914 0.028 0.000 2.585 363 V HA -0.006 4.114 4.120 -0.001 0.000 0.296 363 V C 0.043 176.156 176.094 0.031 0.000 1.035 363 V CA 0.017 62.335 62.300 0.030 0.000 1.084 363 V CB 0.911 32.761 31.823 0.044 0.000 0.953 363 V HN 0.338 nan 8.190 nan 0.000 0.483 364 L N 6.623 127.855 121.223 0.015 0.000 2.322 364 L HA 0.596 4.936 4.340 -0.001 0.000 0.281 364 L C -0.099 176.900 176.870 0.215 0.000 1.014 364 L CA 0.228 55.069 54.840 0.003 0.000 0.815 364 L CB 1.396 43.286 42.059 -0.281 0.000 1.247 364 L HN 0.692 nan 8.230 nan 0.000 0.421 365 N N 2.639 121.552 118.700 0.355 0.000 2.380 365 N HA 0.827 5.566 4.740 -0.001 0.000 0.290 365 N C -0.893 174.955 175.510 0.562 0.000 1.236 365 N CA -0.635 52.699 53.050 0.473 0.000 0.780 365 N CB 2.430 41.128 38.487 0.351 0.000 1.438 365 N HN 0.696 nan 8.380 nan 0.000 0.491 366 G N -0.134 108.907 108.800 0.400 0.000 2.690 366 G HA2 0.583 4.543 3.960 -0.001 0.000 0.293 366 G HA3 0.583 4.543 3.960 -0.001 0.000 0.293 366 G C -1.449 173.502 174.900 0.085 0.000 1.399 366 G CA -0.382 44.872 45.100 0.257 0.000 0.890 366 G HN 0.472 nan 8.290 nan 0.000 0.485 367 E N -0.138 120.093 120.200 0.052 0.000 2.416 367 E HA 0.285 4.634 4.350 -0.001 0.000 0.273 367 E C -0.614 176.093 176.600 0.178 0.000 0.935 367 E CA -1.085 55.254 56.400 -0.101 0.000 0.784 367 E CB 2.136 31.773 29.700 -0.105 0.000 1.301 367 E HN 0.641 nan 8.360 nan 0.000 0.454 368 N N 0.271 119.110 118.700 0.233 0.000 2.445 368 N HA 0.193 4.932 4.740 -0.001 0.000 0.264 368 N C 0.091 175.642 175.510 0.069 0.000 1.227 368 N CA -0.045 53.127 53.050 0.203 0.000 0.963 368 N CB 1.340 39.994 38.487 0.278 0.000 1.188 368 N HN 0.495 nan 8.380 nan 0.000 0.491 369 A N 0.049 122.888 122.820 0.032 0.000 1.887 369 A HA 0.158 4.478 4.320 -0.001 0.000 0.212 369 A C 0.674 178.269 177.584 0.019 0.000 1.198 369 A CA 0.789 52.834 52.037 0.013 0.000 0.628 369 A CB -0.179 18.827 19.000 0.009 0.000 0.847 369 A HN 0.516 nan 8.150 nan 0.000 0.449 370 L N -1.210 120.021 121.223 0.014 0.000 2.286 370 L HA 0.519 4.859 4.340 -0.001 0.000 0.265 370 L C 0.311 177.198 176.870 0.028 0.000 1.012 370 L CA -0.322 54.523 54.840 0.009 0.000 0.818 370 L CB 1.729 43.775 42.059 -0.021 0.000 1.337 370 L HN 0.082 nan 8.230 nan 0.000 0.438 371 S N 1.277 116.994 115.700 0.027 0.000 2.552 371 S HA 0.309 4.779 4.470 -0.001 0.000 0.289 371 S C -0.068 174.542 174.600 0.017 0.000 1.304 371 S CA 0.049 58.273 58.200 0.040 0.000 1.063 371 S CB -0.276 62.945 63.200 0.035 0.000 0.848 371 S HN 0.298 nan 8.310 nan 0.000 0.499 372 I N 2.727 123.310 120.570 0.022 0.000 2.321 372 I HA 0.348 4.518 4.170 -0.001 0.000 0.291 372 I C 1.199 177.256 176.117 -0.099 0.000 0.998 372 I CA -0.233 61.023 61.300 -0.073 0.000 1.227 372 I CB 1.491 39.407 38.000 -0.141 0.000 1.368 372 I HN 0.809 nan 8.210 nan 0.000 0.466 373 G N 4.626 113.357 108.800 -0.114 0.000 3.228 373 G HA2 0.084 4.044 3.960 -0.001 0.000 0.245 373 G HA3 0.084 4.044 3.960 -0.001 0.000 0.245 373 G C -0.030 174.808 174.900 -0.104 0.000 1.051 373 G CA -0.073 44.983 45.100 -0.072 0.000 0.809 373 G HN 0.675 nan 8.290 nan 0.000 0.531 374 N N -1.334 117.252 118.700 -0.191 0.000 2.416 374 N HA 0.191 4.931 4.740 -0.001 0.000 0.276 374 N C 0.852 176.200 175.510 -0.270 0.000 1.261 374 N CA -0.402 52.553 53.050 -0.159 0.000 0.790 374 N CB 1.208 39.642 38.487 -0.088 0.000 1.554 374 N HN -0.052 nan 8.380 nan 0.000 0.481 375 E N 0.124 120.249 120.200 -0.124 0.000 2.268 375 E HA -0.245 4.105 4.350 -0.001 0.000 0.195 375 E C 0.638 177.218 176.600 -0.034 0.000 0.995 375 E CA 1.001 57.383 56.400 -0.031 0.000 0.836 375 E CB 0.011 29.764 29.700 0.088 0.000 0.763 375 E HN 0.647 nan 8.360 nan 0.000 0.491 376 E N 1.488 121.654 120.200 -0.056 0.000 2.118 376 E HA -0.201 4.149 4.350 -0.001 0.000 0.195 376 E C 1.556 178.124 176.600 -0.054 0.000 0.992 376 E CA 1.734 58.112 56.400 -0.037 0.000 0.804 376 E CB -0.039 29.640 29.700 -0.035 0.000 0.741 376 E HN 0.519 nan 8.360 nan 0.000 0.458 377 E N -1.394 118.737 120.200 -0.115 0.000 2.216 377 E HA -0.113 4.236 4.350 -0.001 0.000 0.192 377 E C 1.667 178.221 176.600 -0.076 0.000 0.988 377 E CA 0.484 56.815 56.400 -0.114 0.000 0.834 377 E CB -0.173 29.443 29.700 -0.141 0.000 0.772 377 E HN 0.302 nan 8.360 nan 0.000 0.479 378 Y N 1.342 121.611 120.300 -0.052 0.000 2.242 378 Y HA -0.103 4.447 4.550 -0.001 0.000 0.291 378 Y C 1.987 177.787 175.900 -0.167 0.000 1.137 378 Y CA 0.698 58.730 58.100 -0.114 0.000 1.181 378 Y CB -0.239 38.170 38.460 -0.084 0.000 0.989 378 Y HN -0.086 nan 8.280 nan 0.000 0.527 379 K N -0.192 120.237 120.400 0.049 0.000 2.097 379 K HA -0.146 4.173 4.320 -0.001 0.000 0.206 379 K C 2.236 178.811 176.600 -0.042 0.000 1.049 379 K CA 1.094 57.378 56.287 -0.004 0.000 0.933 379 K CB -0.086 32.422 32.500 0.013 0.000 0.717 379 K HN 0.235 nan 8.250 nan 0.000 0.442 380 R N 0.216 120.688 120.500 -0.047 0.000 2.092 380 R HA -0.081 4.258 4.340 -0.001 0.000 0.231 380 R C 2.215 178.433 176.300 -0.136 0.000 1.119 380 R CA 1.080 57.142 56.100 -0.063 0.000 0.970 380 R CB -0.231 30.039 30.300 -0.051 0.000 0.864 380 R HN 0.031 nan 8.270 nan 0.000 0.440 381 V N 0.915 120.713 119.914 -0.193 0.000 2.358 381 V HA -0.191 3.929 4.120 -0.001 0.000 0.246 381 V C 2.469 178.249 176.094 -0.523 0.000 1.047 381 V CA 1.806 63.868 62.300 -0.396 0.000 1.035 381 V CB -0.680 30.813 31.823 -0.550 0.000 0.658 381 V HN 0.357 nan 8.190 nan 0.000 0.452 382 A N -0.133 122.439 122.820 -0.415 0.000 1.940 382 A HA -0.302 4.017 4.320 -0.001 0.000 0.219 382 A C 2.311 179.701 177.584 -0.324 0.000 1.176 382 A CA 2.143 53.907 52.037 -0.455 0.000 0.631 382 A CB -0.514 18.405 19.000 -0.134 0.000 0.814 382 A HN 0.652 nan 8.150 nan 0.000 0.446 383 E N -0.864 119.234 120.200 -0.170 0.000 2.051 383 E HA -0.208 4.141 4.350 -0.001 0.000 0.192 383 E C 1.958 178.508 176.600 -0.084 0.000 0.991 383 E CA 1.590 57.933 56.400 -0.095 0.000 0.799 383 E CB -0.185 29.519 29.700 0.007 0.000 0.748 383 E HN 0.504 nan 8.360 nan 0.000 0.449 384 M N 0.437 120.009 119.600 -0.046 0.000 2.156 384 M HA -0.009 4.471 4.480 -0.001 0.000 0.264 384 M C 2.509 178.871 176.300 0.103 0.000 1.067 384 M CA 1.321 56.717 55.300 0.160 0.000 1.131 384 M CB -1.222 31.369 32.600 -0.014 0.000 1.368 384 M HN 0.202 nan 8.290 nan 0.000 0.416 385 A N 0.228 122.845 122.820 -0.339 0.000 1.883 385 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 385 A C 1.766 179.270 177.584 -0.134 0.000 1.186 385 A CA 1.638 53.416 52.037 -0.432 0.000 0.624 385 A CB -0.867 17.559 19.000 -0.957 0.000 0.822 385 A HN 0.404 nan 8.150 nan 0.000 0.444 386 F N -0.195 119.697 119.950 -0.097 0.000 2.789 386 F HA 0.145 4.672 4.527 -0.001 0.000 0.300 386 F C 1.736 177.427 175.800 -0.182 0.000 1.132 386 F CA 0.130 58.029 58.000 -0.168 0.000 1.404 386 F CB -0.178 38.656 39.000 -0.277 0.000 1.114 386 F HN 0.268 nan 8.300 nan 0.000 0.584 387 N N -1.760 116.878 118.700 -0.104 0.000 2.197 387 N HA 0.010 4.750 4.740 -0.001 0.000 0.201 387 N C 0.055 175.246 175.510 -0.531 0.000 1.148 387 N CA 0.338 53.127 53.050 -0.436 0.000 0.883 387 N CB 0.387 38.226 38.487 -1.081 0.000 1.012 387 N HN 0.265 nan 8.380 nan 0.000 0.507 388 Y N 0.828 121.159 120.300 0.053 0.000 2.720 388 Y HA 0.236 4.786 4.550 -0.001 0.000 0.268 388 Y C 0.340 176.229 175.900 -0.019 0.000 1.142 388 Y CA -0.601 57.530 58.100 0.051 0.000 1.193 388 Y CB -0.055 38.474 38.460 0.114 0.000 1.176 388 Y HN -0.111 nan 8.280 nan 0.000 0.542 389 N N 0.333 119.104 118.700 0.119 0.000 2.735 389 N HA -0.253 4.487 4.740 -0.001 0.000 0.248 389 N C -0.872 174.702 175.510 0.106 0.000 1.083 389 N CA 0.328 53.431 53.050 0.089 0.000 0.703 389 N CB -1.601 36.892 38.487 0.010 0.000 1.005 389 N HN 0.266 nan 8.380 nan 0.000 0.550 390 F N -0.276 119.762 119.950 0.147 0.000 2.471 390 F HA 0.339 4.866 4.527 -0.001 0.000 0.353 390 F C 1.716 177.644 175.800 0.214 0.000 1.113 390 F CA 0.543 58.646 58.000 0.171 0.000 1.262 390 F CB 0.813 39.920 39.000 0.179 0.000 1.146 390 F HN 0.204 nan 8.300 nan 0.000 0.578 391 A N 2.517 125.535 122.820 0.330 0.000 2.267 391 A HA 0.550 4.870 4.320 -0.001 0.000 0.213 391 A C 0.780 178.463 177.584 0.165 0.000 1.192 391 A CA 0.679 52.853 52.037 0.227 0.000 0.851 391 A CB -0.450 18.628 19.000 0.130 0.000 0.881 391 A HN 0.843 nan 8.150 nan 0.000 0.494 392 G N -1.434 107.506 108.800 0.233 0.000 2.703 392 G HA2 0.478 4.438 3.960 -0.001 0.000 0.294 392 G HA3 0.478 4.438 3.960 -0.001 0.000 0.294 392 G C -1.707 173.297 174.900 0.174 0.000 1.451 392 G CA -0.469 44.648 45.100 0.028 0.000 0.869 392 G HN 0.368 nan 8.290 nan 0.000 0.516 393 F N 1.170 121.021 119.950 -0.164 0.000 2.547 393 F HA 0.757 5.284 4.527 -0.001 0.000 0.316 393 F C -0.443 175.434 175.800 0.129 0.000 1.121 393 F CA -0.530 57.479 58.000 0.015 0.000 0.911 393 F CB 2.539 41.551 39.000 0.021 0.000 1.179 393 F HN 0.445 nan 8.300 nan 0.000 0.443 394 T N 7.058 121.066 114.554 -0.910 0.000 2.807 394 T HA 0.497 4.847 4.350 -0.001 0.000 0.279 394 T C -1.333 172.830 174.700 -0.894 0.000 0.993 394 T CA -0.432 61.364 62.100 -0.506 0.000 0.970 394 T CB 1.354 70.157 68.868 -0.109 0.000 0.950 394 T HN 0.574 nan 8.240 nan 0.000 0.441 395 L N 4.546 125.585 121.223 -0.308 0.000 2.264 395 L HA 0.569 4.909 4.340 -0.001 0.000 0.289 395 L C -1.363 175.497 176.870 -0.016 0.000 1.044 395 L CA -0.561 54.262 54.840 -0.028 0.000 0.807 395 L CB 0.453 42.647 42.059 0.225 0.000 1.192 395 L HN 0.456 nan 8.230 nan 0.000 0.425 396 L N 6.611 127.854 121.223 0.032 0.000 2.255 396 L HA 0.623 4.963 4.340 -0.001 0.000 0.289 396 L C 0.114 177.030 176.870 0.077 0.000 1.046 396 L CA 0.303 55.164 54.840 0.035 0.000 0.816 396 L CB 0.872 42.947 42.059 0.026 0.000 1.197 396 L HN 0.671 nan 8.230 nan 0.000 0.427 397 R N 0.682 121.225 120.500 0.072 0.000 2.766 397 R HA 0.189 4.528 4.340 -0.001 0.000 0.270 397 R C 0.377 176.725 176.300 0.080 0.000 1.035 397 R CA -0.775 55.363 56.100 0.064 0.000 0.911 397 R CB 0.899 31.253 30.300 0.090 0.000 1.243 397 R HN 0.386 nan 8.270 nan 0.000 0.460 398 Y N 1.646 121.907 120.300 -0.066 0.000 1.980 398 Y HA -0.480 4.070 4.550 -0.001 0.000 0.249 398 Y C 2.385 178.249 175.900 -0.059 0.000 1.215 398 Y CA 2.993 61.039 58.100 -0.091 0.000 1.075 398 Y CB 0.041 38.496 38.460 -0.008 0.000 0.894 398 Y HN 0.594 nan 8.280 nan 0.000 0.503 399 Q N -0.391 119.611 119.800 0.336 0.000 2.291 399 Q HA -0.176 4.163 4.340 -0.001 0.000 0.206 399 Q C 1.415 177.552 176.000 0.229 0.000 0.976 399 Q CA 1.710 57.736 55.803 0.372 0.000 0.875 399 Q CB -0.617 28.400 28.738 0.465 0.000 0.927 399 Q HN 0.563 nan 8.270 nan 0.000 0.450 400 D N 1.671 122.153 120.400 0.136 0.000 2.084 400 D HA -0.129 4.511 4.640 -0.001 0.000 0.194 400 D C 2.191 178.544 176.300 0.088 0.000 0.990 400 D CA 2.298 56.368 54.000 0.117 0.000 0.826 400 D CB -0.110 40.755 40.800 0.109 0.000 0.971 400 D HN 0.382 nan 8.370 nan 0.000 0.453 401 V N -1.853 118.062 119.914 0.002 0.000 2.992 401 V HA 0.058 4.178 4.120 -0.001 0.000 0.250 401 V C 2.166 178.193 176.094 -0.112 0.000 1.090 401 V CA 0.436 62.727 62.300 -0.015 0.000 1.101 401 V CB -0.323 31.456 31.823 -0.073 0.000 0.743 401 V HN -0.077 nan 8.190 nan 0.000 0.468 402 M N 0.723 120.139 119.600 -0.306 0.000 2.213 402 M HA -0.001 4.479 4.480 -0.001 0.000 0.263 402 M C 1.710 177.734 176.300 -0.460 0.000 1.062 402 M CA 1.921 56.902 55.300 -0.531 0.000 1.105 402 M CB -0.729 31.248 32.600 -1.038 0.000 1.385 402 M HN 0.522 nan 8.290 nan 0.000 0.417 403 Y N -2.066 118.275 120.300 0.069 0.000 2.467 403 Y HA 0.342 4.891 4.550 -0.001 0.000 0.250 403 Y C 0.415 176.376 175.900 0.103 0.000 1.155 403 Y CA -0.707 57.450 58.100 0.095 0.000 1.249 403 Y CB -0.115 38.394 38.460 0.082 0.000 1.146 403 Y HN 0.153 nan 8.280 nan 0.000 0.524 404 N N 0.678 119.494 118.700 0.193 0.000 2.626 404 N HA 0.118 4.858 4.740 -0.001 0.000 0.242 404 N C -0.153 175.461 175.510 0.173 0.000 1.005 404 N CA -0.049 53.104 53.050 0.172 0.000 0.905 404 N CB 0.093 38.670 38.487 0.151 0.000 1.128 404 N HN 0.194 nan 8.380 nan 0.000 0.512 405 N N 0.422 119.241 118.700 0.197 0.000 2.289 405 N HA -0.149 4.591 4.740 -0.001 0.000 0.184 405 N C 1.093 176.712 175.510 0.182 0.000 1.016 405 N CA 1.314 54.506 53.050 0.237 0.000 0.872 405 N CB 0.294 38.943 38.487 0.269 0.000 0.973 405 N HN 0.525 nan 8.380 nan 0.000 0.433 406 S N 0.440 116.231 115.700 0.150 0.000 2.395 406 S HA -0.020 4.450 4.470 -0.001 0.000 0.225 406 S C 1.763 176.457 174.600 0.157 0.000 1.027 406 S CA 0.420 58.700 58.200 0.133 0.000 0.965 406 S CB -0.254 63.011 63.200 0.107 0.000 0.812 406 S HN 0.091 nan 8.310 nan 0.000 0.482 407 L N 1.291 122.620 121.223 0.177 0.000 2.046 407 L HA 0.106 4.446 4.340 -0.001 0.000 0.208 407 L C 2.524 179.561 176.870 0.277 0.000 1.077 407 L CA 1.676 56.676 54.840 0.267 0.000 0.747 407 L CB -1.234 40.977 42.059 0.254 0.000 0.896 407 L HN 0.346 nan 8.230 nan 0.000 0.432 408 M N -0.662 119.039 119.600 0.168 0.000 2.108 408 M HA -0.087 4.392 4.480 -0.001 0.000 0.261 408 M C 2.062 178.385 176.300 0.037 0.000 1.066 408 M CA 1.987 57.326 55.300 0.065 0.000 1.107 408 M CB -1.085 31.495 32.600 -0.033 0.000 1.356 408 M HN 0.178 nan 8.290 nan 0.000 0.406 409 G N 0.057 108.899 108.800 0.071 0.000 2.433 409 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.216 409 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.216 409 G C 1.615 176.538 174.900 0.037 0.000 1.186 409 G CA 0.933 46.062 45.100 0.048 0.000 0.779 409 G HN 0.502 nan 8.290 nan 0.000 0.543 410 K N -0.444 120.011 120.400 0.092 0.000 2.097 410 K HA -0.069 4.250 4.320 -0.001 0.000 0.206 410 K C 2.195 178.754 176.600 -0.068 0.000 1.049 410 K CA 1.055 57.397 56.287 0.091 0.000 0.933 410 K CB -0.340 32.304 32.500 0.241 0.000 0.717 410 K HN 0.368 nan 8.250 nan 0.000 0.442 411 F N 2.704 122.483 119.950 -0.285 0.000 2.102 411 F HA -0.198 4.329 4.527 -0.001 0.000 0.298 411 F C 2.425 177.983 175.800 -0.404 0.000 1.105 411 F CA 1.568 59.184 58.000 -0.641 0.000 1.239 411 F CB -0.111 38.545 39.000 -0.574 0.000 0.991 411 F HN -0.143 nan 8.300 nan 0.000 0.474 412 K N 0.045 120.393 120.400 -0.086 0.000 2.032 412 K HA -0.280 4.040 4.320 -0.001 0.000 0.209 412 K C 1.940 178.403 176.600 -0.228 0.000 1.048 412 K CA 2.149 58.343 56.287 -0.155 0.000 0.927 412 K CB -0.572 31.864 32.500 -0.107 0.000 0.712 412 K HN 0.359 nan 8.250 nan 0.000 0.441 413 D N 0.241 120.532 120.400 -0.181 0.000 2.097 413 D HA -0.124 4.516 4.640 -0.001 0.000 0.197 413 D C 1.968 178.142 176.300 -0.211 0.000 0.984 413 D CA 1.120 55.025 54.000 -0.158 0.000 0.826 413 D CB 0.070 40.816 40.800 -0.091 0.000 0.973 413 D HN 0.229 nan 8.370 nan 0.000 0.460 414 L N -0.817 120.239 121.223 -0.280 0.000 2.209 414 L HA 0.098 4.438 4.340 -0.001 0.000 0.207 414 L C 1.858 178.524 176.870 -0.341 0.000 1.094 414 L CA 0.527 55.205 54.840 -0.271 0.000 0.790 414 L CB 0.164 42.087 42.059 -0.226 0.000 0.932 414 L HN 0.127 nan 8.230 nan 0.000 0.447 415 L N -2.061 118.767 121.223 -0.658 0.000 2.902 415 L HA 0.251 4.591 4.340 -0.001 0.000 0.254 415 L C 1.484 178.079 176.870 -0.459 0.000 1.115 415 L CA -0.033 54.410 54.840 -0.661 0.000 0.947 415 L CB 0.369 41.691 42.059 -1.227 0.000 1.369 415 L HN 0.067 nan 8.230 nan 0.000 0.538 416 G N 1.752 110.221 108.800 -0.551 0.000 3.455 416 G HA2 0.319 4.279 3.960 -0.001 0.000 0.250 416 G HA3 0.319 4.279 3.960 -0.001 0.000 0.250 416 G C 0.154 174.984 174.900 -0.116 0.000 1.071 416 G CA 0.080 45.040 45.100 -0.233 0.000 1.812 416 G HN 0.034 nan 8.290 nan 0.000 0.643 417 V N -2.071 117.823 119.914 -0.034 0.000 2.713 417 V HA 0.780 4.900 4.120 -0.001 0.000 0.307 417 V C -0.050 176.039 176.094 -0.010 0.000 1.052 417 V CA -0.733 61.503 62.300 -0.107 0.000 0.967 417 V CB 1.850 33.497 31.823 -0.293 0.000 1.019 417 V HN 0.012 nan 8.190 nan 0.000 0.459 418 T N 5.766 120.276 114.554 -0.073 0.000 2.770 418 T HA 0.453 4.803 4.350 -0.001 0.000 0.297 418 T C -2.655 171.982 174.700 -0.104 0.000 0.997 418 T CA -0.891 61.181 62.100 -0.046 0.000 0.949 418 T CB 1.213 70.052 68.868 -0.048 0.000 0.941 418 T HN 0.809 nan 8.240 nan 0.000 0.457 419 P HA 0.217 nan 4.420 nan 0.000 0.275 419 P C -0.494 176.741 177.300 -0.108 0.000 1.276 419 P CA -0.195 62.827 63.100 -0.130 0.000 0.782 419 P CB 0.835 32.488 31.700 -0.077 0.000 0.851 420 V N 5.583 125.415 119.914 -0.137 0.000 2.628 420 V HA 0.478 4.597 4.120 -0.001 0.000 0.306 420 V C -0.033 175.996 176.094 -0.109 0.000 1.045 420 V CA -1.376 60.856 62.300 -0.113 0.000 0.905 420 V CB 2.014 33.762 31.823 -0.126 0.000 0.997 420 V HN 0.390 nan 8.190 nan 0.000 0.436 421 M N 6.297 125.855 119.600 -0.071 0.000 2.246 421 M HA 0.367 4.847 4.480 -0.001 0.000 0.350 421 M C -0.381 175.901 176.300 -0.031 0.000 1.406 421 M CA 0.879 56.151 55.300 -0.046 0.000 1.089 421 M CB 0.005 32.590 32.600 -0.026 0.000 1.782 421 M HN 0.730 nan 8.290 nan 0.000 0.457 422 Q N 2.980 122.777 119.800 -0.005 0.000 2.495 422 Q HA 0.531 4.870 4.340 -0.001 0.000 0.287 422 Q C -1.091 174.977 176.000 0.113 0.000 1.078 422 Q CA -0.684 55.168 55.803 0.082 0.000 0.793 422 Q CB 2.220 31.016 28.738 0.097 0.000 1.459 422 Q HN 0.622 nan 8.270 nan 0.000 0.422 423 T N 1.709 116.365 114.554 0.170 0.000 2.786 423 T HA 0.508 4.857 4.350 -0.001 0.000 0.283 423 T C -0.277 174.497 174.700 0.123 0.000 0.992 423 T CA -0.431 61.737 62.100 0.113 0.000 0.954 423 T CB 0.460 69.380 68.868 0.086 0.000 0.934 423 T HN 0.233 nan 8.240 nan 0.000 0.440 424 I N 4.356 124.975 120.570 0.081 0.000 2.339 424 I HA 0.456 4.626 4.170 -0.001 0.000 0.290 424 I C -0.151 176.031 176.117 0.108 0.000 0.994 424 I CA -0.863 60.480 61.300 0.072 0.000 1.191 424 I CB 1.389 39.386 38.000 -0.006 0.000 1.343 424 I HN 0.304 nan 8.210 nan 0.000 0.458 425 V N 7.137 127.132 119.914 0.135 0.000 2.495 425 V HA 0.530 4.649 4.120 -0.001 0.000 0.298 425 V C -0.119 176.092 176.094 0.195 0.000 1.031 425 V CA -0.746 61.640 62.300 0.142 0.000 0.871 425 V CB 2.634 34.512 31.823 0.093 0.000 0.988 425 V HN 0.410 nan 8.190 nan 0.000 0.432 426 V N 5.398 125.459 119.914 0.246 0.000 2.443 426 V HA 0.509 4.629 4.120 -0.001 0.000 0.293 426 V C -0.195 176.084 176.094 0.309 0.000 1.021 426 V CA -0.868 61.605 62.300 0.288 0.000 0.848 426 V CB 1.769 33.788 31.823 0.327 0.000 0.998 426 V HN 0.800 nan 8.190 nan 0.000 0.424 427 K N 3.251 123.804 120.400 0.254 0.000 2.123 427 K HA 0.532 4.851 4.320 -0.001 0.000 0.248 427 K C 0.044 176.797 176.600 0.255 0.000 0.969 427 K CA -0.798 55.630 56.287 0.234 0.000 0.882 427 K CB 0.846 33.443 32.500 0.161 0.000 1.080 427 K HN 0.624 nan 8.250 nan 0.000 0.441 428 N N -0.628 118.197 118.700 0.209 0.000 2.780 428 N HA -0.133 4.606 4.740 -0.001 0.000 0.247 428 N C -1.016 174.557 175.510 0.104 0.000 1.076 428 N CA 0.409 53.556 53.050 0.162 0.000 0.688 428 N CB -1.639 36.956 38.487 0.180 0.000 0.957 428 N HN 0.288 nan 8.380 nan 0.000 0.551 429 V N 1.453 121.373 119.914 0.011 0.000 2.407 429 V HA 0.345 4.465 4.120 -0.001 0.000 0.278 429 V C -1.280 174.555 176.094 -0.431 0.000 1.037 429 V CA -1.085 60.985 62.300 -0.383 0.000 0.900 429 V CB 1.645 33.221 31.823 -0.412 0.000 0.983 429 V HN 0.088 nan 8.190 nan 0.000 0.459 430 P HA 0.151 nan 4.420 nan 0.000 0.225 430 P C 0.126 177.204 177.300 -0.369 0.000 1.813 430 P CA -0.057 62.804 63.100 -0.399 0.000 1.013 430 P CB -0.057 31.428 31.700 -0.357 0.000 1.961 431 T N -0.278 114.093 114.554 -0.305 0.000 2.918 431 T HA 0.557 4.907 4.350 -0.001 0.000 0.283 431 T C 0.325 174.936 174.700 -0.147 0.000 1.001 431 T CA -0.255 61.694 62.100 -0.252 0.000 1.041 431 T CB 1.074 69.804 68.868 -0.230 0.000 1.028 431 T HN 0.243 nan 8.240 nan 0.000 0.511 432 T N -0.041 114.443 114.554 -0.117 0.000 2.926 432 T HA 0.612 4.962 4.350 -0.001 0.000 0.289 432 T C 0.362 175.030 174.700 -0.054 0.000 1.054 432 T CA -1.059 60.996 62.100 -0.076 0.000 1.015 432 T CB 0.483 69.316 68.868 -0.058 0.000 1.167 432 T HN 0.683 nan 8.240 nan 0.000 0.526 433 I N 1.843 122.391 120.570 -0.037 0.000 2.996 433 I HA 0.210 4.379 4.170 -0.001 0.000 0.311 433 I C 1.689 177.798 176.117 -0.015 0.000 1.219 433 I CA 1.861 63.149 61.300 -0.020 0.000 1.452 433 I CB -0.333 37.658 38.000 -0.014 0.000 1.319 433 I HN 1.145 nan 8.210 nan 0.000 0.564 434 G N 3.425 112.226 108.800 0.001 0.000 2.225 434 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.254 434 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.254 434 G C 0.013 174.911 174.900 -0.002 0.000 0.988 434 G CA -0.081 45.022 45.100 0.006 0.000 0.625 434 G HN 0.608 nan 8.290 nan 0.000 0.527 435 D N 1.652 122.035 120.400 -0.029 0.000 2.345 435 D HA 0.546 5.186 4.640 -0.001 0.000 0.247 435 D C 0.846 177.089 176.300 -0.095 0.000 1.108 435 D CA 1.124 55.077 54.000 -0.078 0.000 0.894 435 D CB 1.249 41.961 40.800 -0.147 0.000 1.203 435 D HN 0.466 nan 8.370 nan 0.000 0.430 436 T N -1.817 112.657 114.554 -0.133 0.000 2.887 436 T HA 0.651 5.000 4.350 -0.001 0.000 0.288 436 T C -0.159 174.268 174.700 -0.455 0.000 1.021 436 T CA -0.905 61.058 62.100 -0.228 0.000 1.000 436 T CB 1.303 70.130 68.868 -0.069 0.000 1.034 436 T HN 0.022 nan 8.240 nan 0.000 0.467 437 V N 2.036 121.442 119.914 -0.846 0.000 2.732 437 V HA 0.704 4.824 4.120 -0.001 0.000 0.310 437 V C -1.161 174.459 176.094 -0.789 0.000 1.053 437 V CA -0.645 61.162 62.300 -0.821 0.000 0.957 437 V CB 1.136 32.248 31.823 -1.185 0.000 1.018 437 V HN 0.944 nan 8.190 nan 0.000 0.452 438 Y N 2.519 122.399 120.300 -0.701 0.000 2.670 438 Y HA 0.746 5.295 4.550 -0.001 0.000 0.334 438 Y C -0.243 175.353 175.900 -0.508 0.000 1.185 438 Y CA -1.054 56.635 58.100 -0.686 0.000 1.053 438 Y CB 1.883 39.655 38.460 -1.147 0.000 1.298 438 Y HN 0.632 nan 8.280 nan 0.000 0.459 439 I N -1.249 119.308 120.570 -0.022 0.000 2.730 439 I HA 0.936 5.106 4.170 -0.001 0.000 0.298 439 I C -0.764 175.541 176.117 0.313 0.000 1.089 439 I CA -0.608 60.804 61.300 0.188 0.000 1.041 439 I CB 2.507 40.585 38.000 0.130 0.000 1.235 439 I HN 0.554 nan 8.210 nan 0.000 0.423 440 T N 2.164 116.974 114.554 0.426 0.000 2.812 440 T HA 0.929 5.279 4.350 -0.001 0.000 0.294 440 T C -0.639 174.004 174.700 -0.095 0.000 1.159 440 T CA -0.141 62.108 62.100 0.249 0.000 1.008 440 T CB 1.869 71.002 68.868 0.442 0.000 1.289 440 T HN 1.343 nan 8.240 nan 0.000 0.514 441 G N 1.008 109.437 108.800 -0.618 0.000 2.488 441 G HA2 0.331 4.291 3.960 -0.001 0.000 0.301 441 G HA3 0.331 4.291 3.960 -0.001 0.000 0.301 441 G C -0.031 174.071 174.900 -1.330 0.000 1.339 441 G CA -0.034 44.335 45.100 -1.217 0.000 0.803 441 G HN 0.747 nan 8.290 nan 0.000 0.482 442 N N -0.476 117.702 118.700 -0.869 0.000 2.571 442 N HA -0.013 4.727 4.740 -0.001 0.000 0.189 442 N C 0.655 176.028 175.510 -0.227 0.000 1.154 442 N CA 0.519 53.317 53.050 -0.420 0.000 0.907 442 N CB 0.237 38.743 38.487 0.031 0.000 0.977 442 N HN 0.443 nan 8.380 nan 0.000 0.449 443 R N -0.974 119.383 120.500 -0.238 0.000 2.828 443 R HA 0.573 4.912 4.340 -0.001 0.000 0.264 443 R C 0.747 176.967 176.300 -0.135 0.000 1.022 443 R CA -0.220 55.789 56.100 -0.152 0.000 1.021 443 R CB 1.147 31.346 30.300 -0.168 0.000 1.163 443 R HN 0.072 nan 8.270 nan 0.000 0.494 444 A N 1.374 124.152 122.820 -0.070 0.000 1.972 444 A HA -0.179 4.141 4.320 -0.001 0.000 0.219 444 A C 1.523 179.071 177.584 -0.060 0.000 1.169 444 A CA 1.595 53.619 52.037 -0.022 0.000 0.635 444 A CB -0.308 18.726 19.000 0.056 0.000 0.810 444 A HN 0.792 nan 8.150 nan 0.000 0.446 445 E N -0.536 119.559 120.200 -0.175 0.000 2.267 445 E HA -0.070 4.279 4.350 -0.001 0.000 0.197 445 E C 1.095 177.569 176.600 -0.210 0.000 0.998 445 E CA 0.797 57.013 56.400 -0.306 0.000 0.830 445 E CB -0.166 29.224 29.700 -0.516 0.000 0.751 445 E HN 0.620 nan 8.360 nan 0.000 0.491 446 L N -1.315 119.800 121.223 -0.181 0.000 2.910 446 L HA 0.323 4.663 4.340 -0.001 0.000 0.252 446 L C 0.921 177.743 176.870 -0.081 0.000 1.195 446 L CA 0.095 54.844 54.840 -0.151 0.000 1.003 446 L CB 0.656 42.589 42.059 -0.211 0.000 1.328 446 L HN 0.289 nan 8.230 nan 0.000 0.540 447 G N -1.157 107.620 108.800 -0.038 0.000 2.157 447 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.239 447 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.239 447 G C 0.617 175.578 174.900 0.101 0.000 0.982 447 G CA 0.122 45.282 45.100 0.101 0.000 0.650 447 G HN 0.201 nan 8.290 nan 0.000 0.527 448 S N -1.769 113.901 115.700 -0.051 0.000 3.549 448 S HA -0.288 4.182 4.470 -0.001 0.000 0.366 448 S C 1.210 175.839 174.600 0.049 0.000 1.012 448 S CA 1.918 60.082 58.200 -0.060 0.000 1.141 448 S CB -1.799 61.452 63.200 0.086 0.000 0.910 448 S HN 1.799 nan 8.310 nan 0.000 0.471 449 W N -2.292 119.084 121.300 0.126 0.000 2.062 449 W HA -0.263 4.397 4.660 -0.001 0.000 0.257 449 W C 0.361 176.945 176.519 0.109 0.000 1.024 449 W CA 0.492 57.910 57.345 0.120 0.000 0.471 449 W CB -1.666 27.822 29.460 0.047 0.000 2.039 449 W HN 0.609 nan 8.180 nan 0.000 1.321 450 D N 0.472 121.029 120.400 0.261 0.000 2.399 450 D HA 0.283 4.922 4.640 -0.001 0.000 0.241 450 D C 1.328 177.691 176.300 0.106 0.000 1.133 450 D CA 1.671 55.756 54.000 0.142 0.000 0.890 450 D CB 1.049 41.883 40.800 0.056 0.000 1.201 450 D HN 0.077 nan 8.370 nan 0.000 0.432 451 T N -0.525 114.011 114.554 -0.031 0.000 3.041 451 T HA 0.106 4.455 4.350 -0.001 0.000 0.276 451 T C 1.304 175.928 174.700 -0.128 0.000 0.948 451 T CA -0.253 61.744 62.100 -0.173 0.000 0.885 451 T CB -0.044 68.448 68.868 -0.627 0.000 1.175 451 T HN 0.388 nan 8.240 nan 0.000 0.529 452 K N 1.579 121.908 120.400 -0.118 0.000 2.168 452 K HA 0.157 4.477 4.320 -0.001 0.000 0.201 452 K C 2.158 178.685 176.600 -0.121 0.000 1.049 452 K CA 1.038 57.254 56.287 -0.119 0.000 0.974 452 K CB 0.202 32.635 32.500 -0.112 0.000 0.792 452 K HN 0.494 nan 8.250 nan 0.000 0.463 453 Q N -2.077 117.620 119.800 -0.172 0.000 2.089 453 Q HA 0.056 4.396 4.340 -0.001 0.000 0.227 453 Q C 0.036 176.050 176.000 0.023 0.000 0.774 453 Q CA -0.319 55.412 55.803 -0.119 0.000 0.960 453 Q CB 0.440 29.084 28.738 -0.158 0.000 1.179 453 Q HN 0.176 nan 8.270 nan 0.000 0.460 454 Y N 1.915 122.212 120.300 -0.005 0.000 2.467 454 Y HA 0.421 4.971 4.550 -0.001 0.000 0.250 454 Y C -1.980 173.942 175.900 0.036 0.000 1.155 454 Y CA -2.579 55.514 58.100 -0.012 0.000 1.249 454 Y CB -0.275 38.172 38.460 -0.021 0.000 1.146 454 Y HN 0.126 nan 8.280 nan 0.000 0.524 455 P HA 0.104 nan 4.420 nan 0.000 0.274 455 P C -0.125 177.329 177.300 0.257 0.000 1.231 455 P CA 0.205 63.459 63.100 0.257 0.000 0.790 455 P CB 1.713 33.602 31.700 0.314 0.000 0.951 456 I N 1.893 122.583 120.570 0.200 0.000 2.312 456 I HA 0.187 4.357 4.170 -0.001 0.000 0.291 456 I C 1.214 177.354 176.117 0.038 0.000 1.031 456 I CA -0.383 60.980 61.300 0.106 0.000 1.293 456 I CB 0.652 38.665 38.000 0.022 0.000 1.403 456 I HN 0.349 nan 8.210 nan 0.000 0.484 457 Q N 6.185 125.928 119.800 -0.096 0.000 2.352 457 Q HA 0.464 4.804 4.340 -0.001 0.000 0.260 457 Q C -1.179 174.505 176.000 -0.527 0.000 0.976 457 Q CA -0.168 55.284 55.803 -0.586 0.000 0.881 457 Q CB 0.925 29.288 28.738 -0.625 0.000 1.235 457 Q HN 0.562 nan 8.270 nan 0.000 0.419 458 L N 2.822 123.680 121.223 -0.608 0.000 2.313 458 L HA 0.553 4.892 4.340 -0.001 0.000 0.268 458 L C -1.119 175.524 176.870 -0.378 0.000 1.010 458 L CA -1.106 53.579 54.840 -0.259 0.000 0.814 458 L CB 1.151 43.238 42.059 0.047 0.000 1.304 458 L HN 0.646 nan 8.230 nan 0.000 0.441 459 Y N -0.962 119.446 120.300 0.180 0.000 2.499 459 Y HA 0.348 4.898 4.550 -0.001 0.000 0.347 459 Y C -0.612 175.130 175.900 -0.263 0.000 0.987 459 Y CA -0.674 57.441 58.100 0.025 0.000 1.044 459 Y CB 1.585 40.012 38.460 -0.054 0.000 1.245 459 Y HN 0.279 nan 8.280 nan 0.000 0.461 460 Y N 2.887 122.691 120.300 -0.827 0.000 2.359 460 Y HA 0.239 4.788 4.550 -0.001 0.000 0.334 460 Y C -0.437 175.143 175.900 -0.533 0.000 1.058 460 Y CA -0.862 56.476 58.100 -1.270 0.000 1.244 460 Y CB 0.517 38.067 38.460 -1.517 0.000 1.187 460 Y HN 0.558 nan 8.280 nan 0.000 0.510 461 D N 3.547 123.341 120.400 -1.009 0.000 2.392 461 D HA 0.191 4.830 4.640 -0.001 0.000 0.228 461 D C 0.352 175.986 176.300 -1.111 0.000 1.074 461 D CA -0.148 53.383 54.000 -0.782 0.000 0.838 461 D CB 1.427 41.993 40.800 -0.390 0.000 1.067 461 D HN 0.680 nan 8.370 nan 0.000 0.511 462 S N 2.737 117.889 115.700 -0.914 0.000 2.368 462 S HA -0.197 4.273 4.470 -0.001 0.000 0.224 462 S C 1.817 176.288 174.600 -0.214 0.000 1.029 462 S CA 0.807 58.664 58.200 -0.571 0.000 0.988 462 S CB -0.571 62.507 63.200 -0.204 0.000 0.838 462 S HN 0.774 nan 8.310 nan 0.000 0.462 463 H N 1.342 120.259 119.070 -0.255 0.000 2.496 463 H HA -0.067 4.489 4.556 -0.001 0.000 0.296 463 H C 0.765 176.007 175.328 -0.142 0.000 1.107 463 H CA 1.294 57.249 56.048 -0.155 0.000 1.263 463 H CB 0.106 29.791 29.762 -0.129 0.000 1.369 463 H HN 0.380 nan 8.280 nan 0.000 0.541 464 S N -0.303 115.364 115.700 -0.056 0.000 2.666 464 S HA 0.019 4.488 4.470 -0.001 0.000 0.239 464 S C 0.147 174.714 174.600 -0.054 0.000 1.031 464 S CA 0.057 58.228 58.200 -0.047 0.000 1.015 464 S CB 0.488 63.640 63.200 -0.079 0.000 0.981 464 S HN 0.545 nan 8.310 nan 0.000 0.547 465 N N 3.169 121.792 118.700 -0.129 0.000 2.705 465 N HA -0.177 4.562 4.740 -0.001 0.000 0.255 465 N C -1.202 174.448 175.510 0.233 0.000 1.008 465 N CA 1.352 54.491 53.050 0.148 0.000 0.742 465 N CB -1.189 37.422 38.487 0.207 0.000 0.906 465 N HN 0.698 nan 8.380 nan 0.000 0.541 466 D N -1.925 118.494 120.400 0.032 0.000 2.677 466 D HA 0.571 5.211 4.640 -0.001 0.000 0.298 466 D C -1.036 175.280 176.300 0.026 0.000 1.250 466 D CA -0.596 53.501 54.000 0.162 0.000 0.888 466 D CB -0.116 40.760 40.800 0.125 0.000 1.397 466 D HN 0.126 nan 8.370 nan 0.000 0.461 467 W N 0.121 121.511 121.300 0.151 0.000 2.532 467 W HA 0.633 5.292 4.660 -0.001 0.000 0.321 467 W C 0.219 176.780 176.519 0.070 0.000 1.037 467 W CA -0.521 56.895 57.345 0.119 0.000 1.220 467 W CB 1.664 31.174 29.460 0.084 0.000 1.361 467 W HN 0.366 nan 8.180 nan 0.000 0.468 468 R N 2.200 122.826 120.500 0.211 0.000 2.817 468 R HA 0.990 5.330 4.340 -0.001 0.000 0.268 468 R C -0.538 175.854 176.300 0.153 0.000 1.027 468 R CA -1.528 54.658 56.100 0.143 0.000 0.928 468 R CB 1.763 32.102 30.300 0.064 0.000 1.228 468 R HN 0.582 nan 8.270 nan 0.000 0.469 469 G N 0.258 109.128 108.800 0.116 0.000 2.703 469 G HA2 0.293 4.253 3.960 -0.001 0.000 0.294 469 G HA3 0.293 4.253 3.960 -0.001 0.000 0.294 469 G C -1.717 173.225 174.900 0.070 0.000 1.451 469 G CA -0.879 44.296 45.100 0.125 0.000 0.869 469 G HN 0.425 nan 8.290 nan 0.000 0.516 470 N N 0.428 119.162 118.700 0.057 0.000 2.426 470 N HA 0.467 5.207 4.740 -0.001 0.000 0.257 470 N C -0.632 174.887 175.510 0.016 0.000 1.002 470 N CA -0.155 52.913 53.050 0.029 0.000 0.942 470 N CB 2.251 40.745 38.487 0.012 0.000 1.112 470 N HN 0.244 nan 8.380 nan 0.000 0.499 471 V N 2.203 122.118 119.914 0.000 0.000 2.540 471 V HA 0.329 4.448 4.120 -0.001 0.000 0.302 471 V C 0.339 176.396 176.094 -0.061 0.000 1.035 471 V CA -0.955 61.325 62.300 -0.034 0.000 0.873 471 V CB 2.187 33.971 31.823 -0.065 0.000 0.992 471 V HN 0.263 nan 8.190 nan 0.000 0.428 472 V N 5.954 125.821 119.914 -0.079 0.000 2.530 472 V HA 0.427 4.546 4.120 -0.001 0.000 0.282 472 V C -0.207 175.783 176.094 -0.173 0.000 1.048 472 V CA -0.128 62.105 62.300 -0.111 0.000 0.997 472 V CB 1.091 32.857 31.823 -0.096 0.000 0.987 472 V HN 0.537 nan 8.190 nan 0.000 0.477 473 L N 6.712 127.812 121.223 -0.206 0.000 2.393 473 L HA 0.596 4.936 4.340 -0.001 0.000 0.260 473 L C -2.516 174.176 176.870 -0.297 0.000 1.002 473 L CA -1.960 52.722 54.840 -0.263 0.000 0.818 473 L CB 2.854 44.769 42.059 -0.241 0.000 1.369 473 L HN 0.390 nan 8.230 nan 0.000 0.412 474 P HA 0.157 nan 4.420 nan 0.000 0.269 474 P C -0.606 176.529 177.300 -0.275 0.000 1.252 474 P CA -0.209 62.687 63.100 -0.340 0.000 0.780 474 P CB 0.657 32.127 31.700 -0.382 0.000 0.829 475 A N 4.434 127.110 122.820 -0.239 0.000 2.547 475 A HA -0.019 4.301 4.320 -0.001 0.000 0.233 475 A C 1.115 178.578 177.584 -0.202 0.000 1.067 475 A CA 0.115 52.017 52.037 -0.224 0.000 0.763 475 A CB -0.609 18.292 19.000 -0.165 0.000 1.007 475 A HN 0.690 nan 8.150 nan 0.000 0.506 476 E N -0.962 119.116 120.200 -0.204 0.000 2.805 476 E HA -0.210 4.139 4.350 -0.001 0.000 0.266 476 E C -0.238 176.281 176.600 -0.135 0.000 1.092 476 E CA 0.915 57.224 56.400 -0.151 0.000 0.781 476 E CB -1.081 28.554 29.700 -0.109 0.000 1.379 476 E HN 0.585 nan 8.360 nan 0.000 0.433 477 R N 0.465 120.868 120.500 -0.161 0.000 2.828 477 R HA 0.394 4.733 4.340 -0.001 0.000 0.264 477 R C 0.140 176.391 176.300 -0.083 0.000 1.022 477 R CA -1.029 54.998 56.100 -0.121 0.000 1.021 477 R CB 0.621 30.833 30.300 -0.146 0.000 1.163 477 R HN -0.062 nan 8.270 nan 0.000 0.494 478 N N 1.535 120.213 118.700 -0.037 0.000 2.444 478 N HA 0.322 5.062 4.740 -0.001 0.000 0.271 478 N C -0.194 175.339 175.510 0.038 0.000 1.069 478 N CA -0.188 52.875 53.050 0.021 0.000 0.965 478 N CB 0.685 39.191 38.487 0.030 0.000 1.092 478 N HN 0.444 nan 8.380 nan 0.000 0.476 479 I N -1.634 119.003 120.570 0.111 0.000 2.769 479 I HA 0.592 4.761 4.170 -0.001 0.000 0.298 479 I C -0.669 175.583 176.117 0.224 0.000 1.128 479 I CA -0.750 60.629 61.300 0.133 0.000 1.031 479 I CB 2.455 40.528 38.000 0.122 0.000 1.235 479 I HN 0.198 nan 8.210 nan 0.000 0.423 480 E N 4.767 125.076 120.200 0.183 0.000 2.222 480 E HA 0.658 5.008 4.350 -0.001 0.000 0.267 480 E C -1.585 175.131 176.600 0.192 0.000 0.884 480 E CA -0.566 55.936 56.400 0.170 0.000 0.764 480 E CB 2.585 32.406 29.700 0.202 0.000 1.169 480 E HN 0.628 nan 8.360 nan 0.000 0.413 481 F N -0.799 119.180 119.950 0.048 0.000 2.711 481 F HA 0.702 5.229 4.527 -0.001 0.000 0.313 481 F C -1.208 174.727 175.800 0.225 0.000 1.141 481 F CA -1.182 56.825 58.000 0.010 0.000 0.941 481 F CB 1.616 40.570 39.000 -0.077 0.000 1.349 481 F HN 0.141 nan 8.300 nan 0.000 0.464 482 K N 0.801 121.513 120.400 0.520 0.000 2.527 482 K HA 0.779 5.099 4.320 -0.001 0.000 0.260 482 K C -1.228 175.679 176.600 0.511 0.000 0.937 482 K CA -1.033 55.506 56.287 0.420 0.000 0.826 482 K CB 2.680 35.488 32.500 0.513 0.000 1.359 482 K HN 1.008 nan 8.250 nan 0.000 0.434 483 A N 2.007 125.028 122.820 0.335 0.000 2.304 483 A HA 0.746 5.065 4.320 -0.001 0.000 0.271 483 A C -0.730 177.072 177.584 0.363 0.000 1.091 483 A CA -0.150 52.073 52.037 0.310 0.000 0.812 483 A CB -0.093 19.091 19.000 0.306 0.000 1.056 483 A HN 0.589 nan 8.150 nan 0.000 0.489 484 F N -1.274 118.740 119.950 0.108 0.000 2.643 484 F HA 0.806 5.332 4.527 -0.001 0.000 0.314 484 F C -1.113 174.661 175.800 -0.043 0.000 1.096 484 F CA -1.498 56.445 58.000 -0.094 0.000 0.953 484 F CB 0.996 39.478 39.000 -0.863 0.000 1.345 484 F HN 0.350 nan 8.300 nan 0.000 0.468 485 I N 1.949 122.539 120.570 0.034 0.000 2.441 485 I HA 0.420 4.590 4.170 -0.001 0.000 0.295 485 I C -0.660 175.443 176.117 -0.024 0.000 0.994 485 I CA -0.763 60.449 61.300 -0.148 0.000 1.144 485 I CB 2.045 39.912 38.000 -0.223 0.000 1.314 485 I HN 0.528 nan 8.210 nan 0.000 0.445 486 K N 4.371 124.754 120.400 -0.028 0.000 2.244 486 K HA 0.455 4.775 4.320 -0.001 0.000 0.260 486 K C -0.478 176.109 176.600 -0.021 0.000 0.951 486 K CA -0.614 55.679 56.287 0.010 0.000 0.826 486 K CB 1.866 34.372 32.500 0.011 0.000 1.108 486 K HN 0.714 nan 8.250 nan 0.000 0.433 487 S N 1.931 117.617 115.700 -0.023 0.000 2.601 487 S HA 0.123 4.592 4.470 -0.001 0.000 0.271 487 S C 1.216 175.811 174.600 -0.009 0.000 1.305 487 S CA -0.848 57.335 58.200 -0.028 0.000 1.022 487 S CB 1.693 64.878 63.200 -0.025 0.000 0.940 487 S HN 0.575 nan 8.310 nan 0.000 0.525 488 K N 2.154 122.551 120.400 -0.005 0.000 2.056 488 K HA -0.287 4.033 4.320 -0.001 0.000 0.225 488 K C 1.587 178.193 176.600 0.010 0.000 1.053 488 K CA 2.584 58.876 56.287 0.009 0.000 0.966 488 K CB -1.262 31.243 32.500 0.008 0.000 0.735 488 K HN 1.003 nan 8.250 nan 0.000 0.455 489 D N -1.064 119.339 120.400 0.004 0.000 2.421 489 D HA -0.161 4.479 4.640 -0.001 0.000 0.223 489 D C 1.072 177.373 176.300 0.002 0.000 0.979 489 D CA 1.431 55.434 54.000 0.004 0.000 0.959 489 D CB -0.353 40.447 40.800 0.001 0.000 0.874 489 D HN 0.556 nan 8.370 nan 0.000 0.513 490 G N 0.403 109.204 108.800 0.001 0.000 2.159 490 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.256 490 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.256 490 G C 0.431 175.316 174.900 -0.024 0.000 0.977 490 G CA 0.661 45.756 45.100 -0.008 0.000 0.652 490 G HN 0.812 nan 8.290 nan 0.000 0.531 491 T N -1.604 112.938 114.554 -0.019 0.000 2.907 491 T HA 0.646 4.995 4.350 -0.001 0.000 0.284 491 T C 0.431 175.112 174.700 -0.032 0.000 1.004 491 T CA -0.310 61.774 62.100 -0.028 0.000 1.063 491 T CB 2.411 71.269 68.868 -0.017 0.000 0.992 491 T HN 0.850 nan 8.240 nan 0.000 0.483 492 V N 3.949 123.827 119.914 -0.060 0.000 2.475 492 V HA 0.054 4.173 4.120 -0.001 0.000 0.292 492 V C 1.678 177.745 176.094 -0.044 0.000 1.003 492 V CA 0.233 62.477 62.300 -0.092 0.000 1.120 492 V CB -0.080 31.608 31.823 -0.224 0.000 0.937 492 V HN 1.025 nan 8.190 nan 0.000 0.476 493 K N 3.013 123.397 120.400 -0.027 0.000 2.099 493 K HA 0.064 4.384 4.320 -0.001 0.000 0.203 493 K C 0.639 177.270 176.600 0.050 0.000 1.047 493 K CA 1.116 57.404 56.287 0.001 0.000 0.963 493 K CB 0.349 32.835 32.500 -0.024 0.000 0.759 493 K HN 0.876 nan 8.250 nan 0.000 0.451 494 S N -2.207 113.536 115.700 0.072 0.000 2.661 494 S HA 0.452 4.922 4.470 -0.001 0.000 0.268 494 S C -1.776 172.993 174.600 0.282 0.000 1.162 494 S CA -1.162 57.178 58.200 0.234 0.000 0.817 494 S CB 0.750 64.139 63.200 0.315 0.000 1.141 494 S HN 0.246 nan 8.310 nan 0.000 0.477 495 W N 0.864 122.348 121.300 0.306 0.000 2.950 495 W HA 0.616 5.276 4.660 -0.001 0.000 0.340 495 W C -0.099 176.159 176.519 -0.435 0.000 1.139 495 W CA -0.574 56.841 57.345 0.116 0.000 1.188 495 W CB 1.544 30.998 29.460 -0.010 0.000 1.426 495 W HN 0.949 nan 8.180 nan 0.000 0.531 496 Q N 0.618 119.956 119.800 -0.770 0.000 2.386 496 Q HA 0.016 4.356 4.340 -0.001 0.000 0.282 496 Q C 0.734 176.348 176.000 -0.643 0.000 1.050 496 Q CA 1.149 56.093 55.803 -1.432 0.000 0.918 496 Q CB 1.102 29.386 28.738 -0.756 0.000 1.266 496 Q HN 0.665 nan 8.270 nan 0.000 0.423 497 T N 3.558 117.738 114.554 -0.623 0.000 2.770 497 T HA 0.054 4.403 4.350 -0.001 0.000 0.263 497 T C 0.448 175.024 174.700 -0.206 0.000 1.039 497 T CA 0.883 62.808 62.100 -0.291 0.000 1.142 497 T CB 0.055 68.807 68.868 -0.194 0.000 0.868 497 T HN 0.511 nan 8.240 nan 0.000 0.435 498 I N 1.184 121.634 120.570 -0.200 0.000 2.404 498 I HA 0.260 4.429 4.170 -0.001 0.000 0.293 498 I C 0.091 176.114 176.117 -0.155 0.000 0.992 498 I CA -0.726 60.485 61.300 -0.149 0.000 1.149 498 I CB 1.787 39.720 38.000 -0.113 0.000 1.315 498 I HN 0.018 nan 8.210 nan 0.000 0.446 499 Q N 5.891 125.608 119.800 -0.138 0.000 2.262 499 Q HA 0.064 4.404 4.340 -0.001 0.000 0.272 499 Q C -0.586 175.300 176.000 -0.189 0.000 1.076 499 Q CA -0.315 55.415 55.803 -0.121 0.000 0.905 499 Q CB 0.654 29.345 28.738 -0.078 0.000 1.182 499 Q HN 0.454 nan 8.270 nan 0.000 0.390 500 Q N 1.368 120.942 119.800 -0.377 0.000 2.317 500 Q HA 0.352 4.692 4.340 -0.001 0.000 0.229 500 Q C -0.331 175.288 176.000 -0.636 0.000 0.984 500 Q CA -0.085 55.353 55.803 -0.608 0.000 0.911 500 Q CB 1.685 29.797 28.738 -1.044 0.000 1.217 500 Q HN 0.743 nan 8.270 nan 0.000 0.501 501 S N -0.510 114.978 115.700 -0.353 0.000 2.570 501 S HA 0.624 5.093 4.470 -0.001 0.000 0.270 501 S C -2.083 172.690 174.600 0.289 0.000 1.149 501 S CA -0.790 57.398 58.200 -0.019 0.000 0.837 501 S CB 1.497 64.720 63.200 0.037 0.000 1.124 501 S HN 0.578 nan 8.310 nan 0.000 0.465 502 W N 2.507 123.929 121.300 0.204 0.000 2.740 502 W HA 0.476 5.135 4.660 -0.001 0.000 0.316 502 W C -1.652 174.936 176.519 0.115 0.000 1.020 502 W CA -1.095 56.383 57.345 0.222 0.000 1.278 502 W CB 0.718 30.333 29.460 0.259 0.000 1.224 502 W HN 0.895 nan 8.180 nan 0.000 0.393 503 N N 5.994 124.927 118.700 0.389 0.000 2.626 503 N HA 0.375 5.114 4.740 -0.001 0.000 0.249 503 N C -2.253 173.333 175.510 0.128 0.000 1.021 503 N CA -0.955 52.208 53.050 0.188 0.000 0.886 503 N CB 2.098 40.671 38.487 0.143 0.000 1.149 503 N HN 0.026 nan 8.380 nan 0.000 0.517 504 P HA 0.311 nan 4.420 nan 0.000 0.304 504 P C -0.294 176.890 177.300 -0.194 0.000 1.310 504 P CA -0.537 62.548 63.100 -0.025 0.000 0.796 504 P CB 0.885 32.548 31.700 -0.061 0.000 1.297 505 V N 1.517 121.216 119.914 -0.359 0.000 2.740 505 V HA 0.125 4.244 4.120 -0.001 0.000 0.303 505 V C -1.946 173.793 176.094 -0.591 0.000 1.054 505 V CA -0.827 60.986 62.300 -0.812 0.000 1.106 505 V CB -0.125 31.304 31.823 -0.658 0.000 0.957 505 V HN 0.600 nan 8.190 nan 0.000 0.486 506 P HA 0.139 nan 4.420 nan 0.000 0.278 506 P C 0.512 177.654 177.300 -0.263 0.000 1.238 506 P CA -0.467 62.427 63.100 -0.342 0.000 0.794 506 P CB 0.617 32.178 31.700 -0.231 0.000 0.955 507 L N 0.843 121.972 121.223 -0.158 0.000 2.362 507 L HA -0.001 4.339 4.340 -0.001 0.000 0.219 507 L C 0.452 177.265 176.870 -0.095 0.000 1.134 507 L CA 1.779 56.548 54.840 -0.119 0.000 0.807 507 L CB -1.203 40.810 42.059 -0.076 0.000 0.927 507 L HN 0.419 nan 8.230 nan 0.000 0.447 508 K N -1.047 119.304 120.400 -0.082 0.000 2.259 508 K HA 0.311 4.631 4.320 -0.001 0.000 0.252 508 K C 0.017 176.595 176.600 -0.037 0.000 0.936 508 K CA -0.479 55.780 56.287 -0.048 0.000 0.810 508 K CB 1.374 33.861 32.500 -0.021 0.000 1.143 508 K HN -0.245 nan 8.250 nan 0.000 0.427 509 T N 1.564 116.105 114.554 -0.022 0.000 2.933 509 T HA 0.054 4.403 4.350 -0.001 0.000 0.306 509 T C 0.278 175.007 174.700 0.048 0.000 1.045 509 T CA 0.550 62.654 62.100 0.006 0.000 1.143 509 T CB 0.300 69.170 68.868 0.004 0.000 1.003 509 T HN 0.670 nan 8.240 nan 0.000 0.540 510 T N 0.742 115.362 114.554 0.111 0.000 2.644 510 T HA 0.632 4.981 4.350 -0.001 0.000 0.288 510 T C -1.571 173.268 174.700 0.232 0.000 1.332 510 T CA -0.096 62.103 62.100 0.165 0.000 1.077 510 T CB 0.880 69.874 68.868 0.211 0.000 1.799 510 T HN 0.807 nan 8.240 nan 0.000 0.451 511 S N 0.560 116.411 115.700 0.251 0.000 2.541 511 S HA 0.571 5.041 4.470 -0.001 0.000 0.271 511 S C -1.796 172.822 174.600 0.030 0.000 1.133 511 S CA -0.696 57.612 58.200 0.179 0.000 0.876 511 S CB 1.616 64.870 63.200 0.089 0.000 1.105 511 S HN 0.871 nan 8.310 nan 0.000 0.470 512 H N 1.816 120.742 119.070 -0.241 0.000 2.762 512 H HA 0.541 5.097 4.556 -0.001 0.000 0.310 512 H C -1.029 174.188 175.328 -0.186 0.000 1.004 512 H CA 0.019 55.758 56.048 -0.516 0.000 1.267 512 H CB 1.057 30.175 29.762 -1.074 0.000 1.437 512 H HN 0.784 nan 8.280 nan 0.000 0.498 513 T N 3.366 117.827 114.554 -0.155 0.000 2.895 513 T HA 0.538 4.888 4.350 -0.001 0.000 0.283 513 T C -0.321 174.367 174.700 -0.020 0.000 1.014 513 T CA -0.647 61.447 62.100 -0.011 0.000 1.037 513 T CB 1.427 70.277 68.868 -0.029 0.000 1.006 513 T HN 0.708 nan 8.240 nan 0.000 0.468 514 S N 0.681 116.433 115.700 0.087 0.000 2.611 514 S HA 0.723 5.193 4.470 -0.001 0.000 0.268 514 S C -1.021 173.649 174.600 0.116 0.000 1.156 514 S CA -0.900 57.346 58.200 0.077 0.000 0.817 514 S CB 1.658 64.927 63.200 0.115 0.000 1.122 514 S HN 0.661 nan 8.310 nan 0.000 0.466 515 S N 0.575 116.334 115.700 0.099 0.000 2.568 515 S HA 0.560 5.030 4.470 -0.001 0.000 0.302 515 S C -0.294 174.404 174.600 0.163 0.000 1.082 515 S CA -0.745 57.547 58.200 0.154 0.000 1.009 515 S CB 0.769 64.044 63.200 0.124 0.000 1.069 515 S HN 0.758 nan 8.310 nan 0.000 0.500 516 W N 0.000 121.338 121.300 0.063 0.000 2.388 516 W HA 0.000 4.660 4.660 -0.001 0.000 0.303 516 W CA 0.000 57.380 57.345 0.058 0.000 1.226 516 W CB 0.000 29.489 29.460 0.048 0.000 1.126 516 W HN 0.000 nan 8.180 nan 0.000 0.535