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 3e51_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YH 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.561 174.600 -0.064 0.000 1.055 1 S CA 0.000 58.172 58.200 -0.048 0.000 1.107 1 S CB 0.000 63.163 63.200 -0.062 0.000 0.593 2 M N 3.035 122.591 119.600 -0.074 0.000 2.200 2 M HA 0.271 4.751 4.480 0.000 0.000 0.355 2 M C 1.917 178.091 176.300 -0.209 0.000 1.283 2 M CA 0.016 55.255 55.300 -0.101 0.000 1.124 2 M CB 0.661 33.224 32.600 -0.062 0.000 1.625 2 M HN 1.062 nan 8.290 nan 0.000 0.463 3 S N 2.968 118.471 115.700 -0.329 0.000 2.374 3 S HA -0.139 4.331 4.470 0.000 0.000 0.227 3 S C 0.154 174.305 174.600 -0.748 0.000 1.037 3 S CA 1.163 59.037 58.200 -0.543 0.000 1.024 3 S CB -0.283 62.514 63.200 -0.672 0.000 0.861 3 S HN 0.647 nan 8.310 nan 0.000 0.456 4 Y N -0.004 120.104 120.300 -0.321 0.000 2.524 4 Y HA 0.576 5.126 4.550 0.000 0.000 0.347 4 Y C -0.144 175.417 175.900 -0.564 0.000 1.005 4 Y CA -0.977 56.793 58.100 -0.550 0.000 1.025 4 Y CB 2.127 40.063 38.460 -0.873 0.000 1.275 4 Y HN -0.134 nan 8.280 nan 0.000 0.460 5 T N 1.889 116.185 114.554 -0.430 0.000 2.829 5 T HA 0.434 4.784 4.350 0.000 0.000 0.280 5 T C -1.241 173.212 174.700 -0.413 0.000 0.999 5 T CA -0.765 61.147 62.100 -0.312 0.000 0.983 5 T CB 0.589 69.393 68.868 -0.107 0.000 0.968 5 T HN 0.467 nan 8.240 nan 0.000 0.446 6 W N 0.916 122.274 121.300 0.097 0.000 2.706 6 W HA 0.421 5.081 4.660 0.000 0.000 0.346 6 W C 1.443 177.993 176.519 0.051 0.000 1.071 6 W CA -0.959 56.427 57.345 0.068 0.000 1.206 6 W CB 1.205 30.689 29.460 0.040 0.000 1.413 6 W HN 0.760 nan 8.180 nan 0.000 0.542 7 T N -2.645 112.099 114.554 0.316 0.000 3.040 7 T HA 0.328 4.678 4.350 0.000 0.000 0.252 7 T C 1.413 176.197 174.700 0.141 0.000 1.064 7 T CA 0.859 63.067 62.100 0.179 0.000 1.110 7 T CB 0.105 69.056 68.868 0.139 0.000 0.921 7 T HN 1.161 nan 8.240 nan 0.000 0.480 8 G N 1.325 110.212 108.800 0.145 0.000 2.253 8 G HA2 0.060 4.020 3.960 0.000 0.000 0.209 8 G HA3 0.060 4.020 3.960 0.000 0.000 0.209 8 G C 0.347 175.267 174.900 0.033 0.000 0.997 8 G CA -0.159 44.981 45.100 0.066 0.000 0.640 8 G HN 1.074 nan 8.290 nan 0.000 0.496 9 A N 1.119 123.972 122.820 0.056 0.000 2.511 9 A HA 0.625 4.945 4.320 0.000 0.000 0.242 9 A C 0.839 178.423 177.584 0.000 0.000 1.069 9 A CA 0.176 52.233 52.037 0.033 0.000 0.763 9 A CB 0.151 19.182 19.000 0.052 0.000 1.001 9 A HN 0.863 nan 8.150 nan 0.000 0.498 10 L N 2.122 123.333 121.223 -0.019 0.000 2.436 10 L HA 0.220 4.560 4.340 0.000 0.000 0.265 10 L C 0.092 176.937 176.870 -0.042 0.000 1.168 10 L CA -0.176 54.634 54.840 -0.050 0.000 0.815 10 L CB 0.530 42.566 42.059 -0.039 0.000 1.109 10 L HN 0.557 nan 8.230 nan 0.000 0.462 11 I N 1.764 122.290 120.570 -0.074 0.000 2.379 11 I HA 0.092 4.262 4.170 0.000 0.000 0.290 11 I C 0.443 176.547 176.117 -0.022 0.000 1.063 11 I CA 0.020 61.293 61.300 -0.045 0.000 1.351 11 I CB 0.760 38.716 38.000 -0.075 0.000 1.410 11 I HN 0.641 nan 8.210 nan 0.000 0.505 12 T N 4.904 119.457 114.554 -0.001 0.000 2.895 12 T HA 0.587 4.937 4.350 0.000 0.000 0.283 12 T C -2.485 172.227 174.700 0.021 0.000 1.014 12 T CA -2.105 59.999 62.100 0.007 0.000 1.037 12 T CB 1.769 70.641 68.868 0.006 0.000 1.006 12 T HN 0.252 nan 8.240 nan 0.000 0.468 13 P HA 0.331 nan 4.420 nan 0.000 0.276 13 P C 0.218 177.537 177.300 0.033 0.000 1.244 13 P CA -0.653 62.467 63.100 0.033 0.000 0.801 13 P CB 0.956 32.675 31.700 0.033 0.000 1.006 14 C N 1.018 120.342 119.300 0.039 0.000 2.576 14 C HA 0.293 4.753 4.460 0.000 0.000 0.281 14 C C 1.678 176.685 174.990 0.029 0.000 1.292 14 C CA 1.264 60.303 59.018 0.034 0.000 1.697 14 C CB -0.885 26.879 27.740 0.041 0.000 2.109 14 C HN 0.671 nan 8.230 nan 0.000 0.497 15 A N 0.031 122.871 122.820 0.032 0.000 2.352 15 A HA 0.765 5.085 4.320 0.000 0.000 0.299 15 A C -0.048 177.559 177.584 0.039 0.000 1.160 15 A CA 0.211 52.268 52.037 0.033 0.000 0.933 15 A CB -0.251 18.769 19.000 0.034 0.000 1.387 15 A HN 0.606 nan 8.150 nan 0.000 0.487 16 A N -0.365 122.480 122.820 0.042 0.000 2.445 16 A HA 0.500 4.820 4.320 0.000 0.000 0.242 16 A C -0.117 177.507 177.584 0.066 0.000 1.075 16 A CA 0.101 52.168 52.037 0.049 0.000 0.777 16 A CB -0.236 18.793 19.000 0.047 0.000 1.013 16 A HN 0.679 nan 8.150 nan 0.000 0.493 17 E N 1.125 121.370 120.200 0.075 0.000 2.199 17 E HA 0.346 4.696 4.350 0.000 0.000 0.265 17 E C -1.118 175.560 176.600 0.131 0.000 0.882 17 E CA -0.451 56.007 56.400 0.098 0.000 0.759 17 E CB 1.773 31.521 29.700 0.079 0.000 1.148 17 E HN 0.729 nan 8.360 nan 0.000 0.412 18 E N 1.171 121.490 120.200 0.199 0.000 2.249 18 E HA 0.145 4.496 4.350 0.000 0.000 0.280 18 E C 0.183 176.991 176.600 0.348 0.000 1.016 18 E CA -0.198 56.358 56.400 0.260 0.000 0.830 18 E CB 1.335 31.221 29.700 0.311 0.000 1.081 18 E HN 0.556 nan 8.360 nan 0.000 0.395 19 S N 2.359 118.236 115.700 0.295 0.000 2.527 19 S HA 0.086 4.556 4.470 0.000 0.000 0.227 19 S C 0.617 175.459 174.600 0.405 0.000 1.059 19 S CA -0.199 58.194 58.200 0.322 0.000 0.919 19 S CB 0.332 63.664 63.200 0.220 0.000 0.805 19 S HN 0.205 nan 8.310 nan 0.000 0.500 20 K N 1.877 122.452 120.400 0.292 0.000 2.205 20 K HA 0.326 4.646 4.320 0.000 0.000 0.279 20 K C -0.610 176.052 176.600 0.103 0.000 1.027 20 K CA -0.715 55.702 56.287 0.217 0.000 0.932 20 K CB 1.369 33.935 32.500 0.110 0.000 1.032 20 K HN 0.246 nan 8.250 nan 0.000 0.466 21 L N 5.214 126.491 121.223 0.091 0.000 2.660 21 L HA 0.000 4.340 4.340 0.000 0.000 0.272 21 L C -2.270 174.348 176.870 -0.420 0.000 1.194 21 L CA -0.620 54.078 54.840 -0.236 0.000 0.945 21 L CB -0.317 41.742 42.059 0.000 0.000 1.212 21 L HN 0.386 nan 8.230 nan 0.000 0.490 22 P HA 0.187 nan 4.420 nan 0.000 0.268 22 P C -0.940 176.123 177.300 -0.395 0.000 1.205 22 P CA -0.006 62.794 63.100 -0.499 0.000 0.771 22 P CB 0.536 31.875 31.700 -0.602 0.000 0.858 23 I N 3.156 123.555 120.570 -0.287 0.000 2.465 23 I HA 0.355 4.525 4.170 0.000 0.000 0.291 23 I C 0.445 176.451 176.117 -0.184 0.000 1.014 23 I CA -0.696 60.437 61.300 -0.278 0.000 1.093 23 I CB 1.471 39.293 38.000 -0.297 0.000 1.267 23 I HN 0.475 nan 8.210 nan 0.000 0.431 24 N N 4.347 122.952 118.700 -0.157 0.000 3.294 24 N HA 0.472 5.212 4.740 0.000 0.000 0.355 24 N C 0.458 175.925 175.510 -0.071 0.000 1.497 24 N CA -0.373 52.617 53.050 -0.101 0.000 0.707 24 N CB 0.432 38.863 38.487 -0.093 0.000 1.732 24 N HN 0.376 nan 8.380 nan 0.000 0.640 25 A N -0.649 122.141 122.820 -0.049 0.000 2.121 25 A HA 0.142 4.462 4.320 0.000 0.000 0.218 25 A C 1.812 179.381 177.584 -0.024 0.000 1.154 25 A CA 0.792 52.810 52.037 -0.032 0.000 0.679 25 A CB -0.943 18.041 19.000 -0.027 0.000 0.795 25 A HN 0.538 nan 8.150 nan 0.000 0.458 26 L N -1.255 119.950 121.223 -0.030 0.000 2.416 26 L HA 0.004 4.344 4.340 0.000 0.000 0.216 26 L C 2.532 179.424 176.870 0.036 0.000 1.098 26 L CA 0.574 55.412 54.840 -0.004 0.000 0.840 26 L CB -0.285 41.754 42.059 -0.034 0.000 0.981 26 L HN 0.221 nan 8.230 nan 0.000 0.462 27 S N 0.668 116.363 115.700 -0.009 0.000 2.359 27 S HA -0.183 4.287 4.470 0.000 0.000 0.223 27 S C 1.751 176.390 174.600 0.064 0.000 1.039 27 S CA 1.664 59.853 58.200 -0.020 0.000 1.042 27 S CB -0.310 62.787 63.200 -0.172 0.000 0.915 27 S HN 0.451 nan 8.310 nan 0.000 0.439 28 N N 1.360 120.115 118.700 0.091 0.000 2.289 28 N HA -0.061 4.679 4.740 0.000 0.000 0.184 28 N C 1.935 177.470 175.510 0.041 0.000 1.016 28 N CA 1.278 54.398 53.050 0.118 0.000 0.872 28 N CB -0.519 38.020 38.487 0.086 0.000 0.973 28 N HN 0.579 nan 8.380 nan 0.000 0.433 29 S N -0.171 115.546 115.700 0.029 0.000 2.419 29 S HA -0.083 4.388 4.470 0.000 0.000 0.233 29 S C 1.863 176.471 174.600 0.014 0.000 1.016 29 S CA 0.566 58.760 58.200 -0.010 0.000 0.974 29 S CB -0.297 62.914 63.200 0.018 0.000 0.786 29 S HN 0.228 nan 8.310 nan 0.000 0.492 30 L N 0.168 121.416 121.223 0.041 0.000 2.145 30 L HA 0.567 4.907 4.340 0.000 0.000 0.201 30 L C 0.304 177.224 176.870 0.083 0.000 1.075 30 L CA 1.062 55.915 54.840 0.022 0.000 0.773 30 L CB -0.007 41.861 42.059 -0.318 0.000 0.936 30 L HN 0.545 nan 8.230 nan 0.000 0.451 31 L N -1.621 119.639 121.223 0.062 0.000 2.513 31 L HA 0.407 4.747 4.340 0.000 0.000 0.261 31 L C 0.323 177.226 176.870 0.054 0.000 0.945 31 L CA -0.555 54.318 54.840 0.054 0.000 0.848 31 L CB 1.402 43.520 42.059 0.098 0.000 1.334 31 L HN -0.112 nan 8.230 nan 0.000 0.407 32 R N 0.994 121.402 120.500 -0.154 0.000 2.195 32 R HA 0.186 4.526 4.340 0.000 0.000 0.197 32 R C -0.069 175.967 176.300 -0.439 0.000 0.990 32 R CA 0.351 56.260 56.100 -0.319 0.000 1.048 32 R CB 0.099 30.213 30.300 -0.310 0.000 0.997 32 R HN 0.680 nan 8.270 nan 0.000 0.502 33 H N 0.682 119.661 119.070 -0.151 0.000 2.923 33 H HA 0.133 4.689 4.556 0.000 0.000 0.251 33 H C 0.571 175.900 175.328 0.003 0.000 1.741 33 H CA -0.221 55.763 56.048 -0.107 0.000 1.387 33 H CB -0.038 29.710 29.762 -0.022 0.000 1.740 33 H HN 0.311 nan 8.280 nan 0.000 0.544 34 H N 0.844 120.002 119.070 0.146 0.000 2.421 34 H HA -0.153 4.403 4.556 0.000 0.000 0.298 34 H C 1.835 177.240 175.328 0.127 0.000 1.087 34 H CA 0.965 57.077 56.048 0.107 0.000 1.330 34 H CB 0.326 30.126 29.762 0.063 0.000 1.388 34 H HN 0.625 nan 8.280 nan 0.000 0.526 35 N N 0.660 119.489 118.700 0.215 0.000 2.512 35 N HA -0.107 4.633 4.740 0.000 0.000 0.183 35 N C 1.292 176.907 175.510 0.176 0.000 1.073 35 N CA 0.707 53.858 53.050 0.168 0.000 0.911 35 N CB -0.144 38.405 38.487 0.103 0.000 0.964 35 N HN 0.274 nan 8.380 nan 0.000 0.447 36 M N 0.134 119.850 119.600 0.193 0.000 2.492 36 M HA 0.145 4.625 4.480 0.000 0.000 0.262 36 M C -0.042 176.426 176.300 0.281 0.000 1.090 36 M CA 0.251 55.674 55.300 0.204 0.000 1.110 36 M CB -0.121 32.590 32.600 0.184 0.000 1.407 36 M HN -0.068 nan 8.290 nan 0.000 0.470 37 V N 1.344 121.433 119.914 0.292 0.000 2.427 37 V HA 0.328 4.448 4.120 0.000 0.000 0.286 37 V C -0.638 175.704 176.094 0.413 0.000 1.034 37 V CA -0.785 61.698 62.300 0.306 0.000 0.893 37 V CB 1.019 33.002 31.823 0.267 0.000 0.982 37 V HN 0.382 nan 8.190 nan 0.000 0.452 38 Y N 2.577 123.021 120.300 0.240 0.000 2.615 38 Y HA 0.931 5.481 4.550 0.000 0.000 0.341 38 Y C -0.430 175.553 175.900 0.139 0.000 1.089 38 Y CA -1.531 56.715 58.100 0.244 0.000 1.049 38 Y CB 1.607 40.176 38.460 0.182 0.000 1.296 38 Y HN 0.690 nan 8.280 nan 0.000 0.470 39 A N 1.342 124.232 122.820 0.116 0.000 2.350 39 A HA 0.674 4.994 4.320 0.000 0.000 0.324 39 A C -0.117 177.547 177.584 0.132 0.000 1.118 39 A CA -0.379 51.540 52.037 -0.197 0.000 0.783 39 A CB 0.577 19.234 19.000 -0.572 0.000 1.236 39 A HN 1.124 nan 8.150 nan 0.000 0.457 40 T N 0.003 114.625 114.554 0.112 0.000 2.898 40 T HA 0.574 4.924 4.350 0.000 0.000 0.301 40 T C 0.350 175.108 174.700 0.098 0.000 1.049 40 T CA 0.465 62.683 62.100 0.198 0.000 1.095 40 T CB 0.683 69.689 68.868 0.230 0.000 0.976 40 T HN 1.565 nan 8.240 nan 0.000 0.539 41 T N -1.851 112.764 114.554 0.101 0.000 2.812 41 T HA 0.470 4.820 4.350 0.000 0.000 0.294 41 T C 1.403 176.134 174.700 0.050 0.000 1.159 41 T CA -0.237 61.904 62.100 0.068 0.000 1.008 41 T CB 1.170 70.084 68.868 0.076 0.000 1.289 41 T HN 0.822 nan 8.240 nan 0.000 0.514 42 S N 0.387 116.108 115.700 0.035 0.000 2.440 42 S HA -0.207 4.263 4.470 0.000 0.000 0.240 42 S C 1.802 176.403 174.600 0.002 0.000 1.014 42 S CA 0.881 59.089 58.200 0.014 0.000 0.980 42 S CB -0.813 62.394 63.200 0.012 0.000 0.775 42 S HN 0.738 nan 8.310 nan 0.000 0.499 43 R N 1.479 121.989 120.500 0.016 0.000 2.170 43 R HA -0.076 4.264 4.340 0.000 0.000 0.242 43 R C 2.245 178.541 176.300 -0.006 0.000 1.145 43 R CA 1.613 57.717 56.100 0.007 0.000 0.984 43 R CB -0.581 29.733 30.300 0.022 0.000 0.869 43 R HN 0.770 nan 8.270 nan 0.000 0.455 44 S N -1.012 114.689 115.700 0.002 0.000 2.539 44 S HA 0.272 4.742 4.470 0.000 0.000 0.221 44 S C 1.740 176.321 174.600 -0.032 0.000 0.987 44 S CA 0.111 58.305 58.200 -0.009 0.000 0.929 44 S CB 0.950 64.160 63.200 0.016 0.000 0.832 44 S HN 0.271 nan 8.310 nan 0.000 0.492 45 A N 2.099 124.891 122.820 -0.048 0.000 1.940 45 A HA 0.134 4.454 4.320 0.000 0.000 0.219 45 A C 2.252 179.737 177.584 -0.164 0.000 1.176 45 A CA 1.647 53.629 52.037 -0.091 0.000 0.631 45 A CB -1.658 17.284 19.000 -0.096 0.000 0.814 45 A HN 0.664 nan 8.150 nan 0.000 0.446 46 G N -0.424 108.280 108.800 -0.159 0.000 2.422 46 G HA2 -0.108 3.852 3.960 0.000 0.000 0.218 46 G HA3 -0.108 3.852 3.960 0.000 0.000 0.218 46 G C 1.364 176.172 174.900 -0.153 0.000 1.146 46 G CA 1.206 46.187 45.100 -0.198 0.000 0.769 46 G HN 0.372 nan 8.290 nan 0.000 0.547 47 L N 0.245 121.413 121.223 -0.091 0.000 2.027 47 L HA 0.086 4.426 4.340 0.000 0.000 0.206 47 L C 2.757 179.603 176.870 -0.041 0.000 1.074 47 L CA 1.480 56.288 54.840 -0.054 0.000 0.745 47 L CB -0.718 41.321 42.059 -0.033 0.000 0.898 47 L HN 0.151 nan 8.230 nan 0.000 0.433 48 R N -0.225 120.247 120.500 -0.047 0.000 2.081 48 R HA -0.163 4.177 4.340 0.000 0.000 0.235 48 R C 2.239 178.518 176.300 -0.035 0.000 1.131 48 R CA 1.488 57.577 56.100 -0.019 0.000 0.960 48 R CB -0.408 29.884 30.300 -0.014 0.000 0.856 48 R HN 0.442 nan 8.270 nan 0.000 0.436 49 Q N 0.064 119.770 119.800 -0.157 0.000 2.077 49 Q HA -0.210 4.130 4.340 0.000 0.000 0.206 49 Q C 1.988 177.989 176.000 0.002 0.000 0.989 49 Q CA 2.333 57.991 55.803 -0.242 0.000 0.853 49 Q CB -0.110 28.186 28.738 -0.736 0.000 0.907 49 Q HN 0.355 nan 8.270 nan 0.000 0.418 50 K N 0.620 121.012 120.400 -0.014 0.000 2.032 50 K HA -0.170 4.150 4.320 0.000 0.000 0.209 50 K C 2.033 178.725 176.600 0.154 0.000 1.048 50 K CA 1.333 57.666 56.287 0.076 0.000 0.927 50 K CB -0.096 32.424 32.500 0.033 0.000 0.712 50 K HN 0.093 nan 8.250 nan 0.000 0.441 51 K N 0.655 121.132 120.400 0.130 0.000 2.147 51 K HA -0.106 4.214 4.320 0.000 0.000 0.205 51 K C 1.950 178.743 176.600 0.320 0.000 1.049 51 K CA 1.566 57.958 56.287 0.176 0.000 0.936 51 K CB -0.006 32.567 32.500 0.120 0.000 0.722 51 K HN 0.160 nan 8.250 nan 0.000 0.446 52 V N -2.053 118.047 119.914 0.310 0.000 3.647 52 V HA 0.087 4.207 4.120 0.000 0.000 0.279 52 V C 0.351 176.633 176.094 0.313 0.000 1.314 52 V CA 0.022 62.550 62.300 0.381 0.000 1.125 52 V CB 0.250 32.254 31.823 0.302 0.000 0.907 52 V HN -0.069 nan 8.190 nan 0.000 0.434 53 T N 4.509 119.286 114.554 0.371 0.000 2.781 53 T HA 0.720 5.070 4.350 0.000 0.000 0.305 53 T C -0.759 174.117 174.700 0.294 0.000 1.001 53 T CA -0.030 62.249 62.100 0.298 0.000 0.950 53 T CB 0.046 69.182 68.868 0.446 0.000 0.955 53 T HN 0.598 nan 8.240 nan 0.000 0.471 54 F N -0.229 119.810 119.950 0.148 0.000 2.713 54 F HA 0.656 5.183 4.527 -0.000 0.000 0.311 54 F C -0.876 174.950 175.800 0.045 0.000 1.141 54 F CA -1.744 56.307 58.000 0.086 0.000 0.939 54 F CB 0.763 39.807 39.000 0.074 0.000 1.325 54 F HN 0.188 nan 8.300 nan 0.000 0.453 55 D N 0.937 121.496 120.400 0.265 0.000 2.350 55 D HA 0.410 5.050 4.640 0.000 0.000 0.249 55 D C -0.821 175.611 176.300 0.220 0.000 1.119 55 D CA 0.100 54.189 54.000 0.148 0.000 0.886 55 D CB 0.786 41.647 40.800 0.101 0.000 1.195 55 D HN 0.546 nan 8.370 nan 0.000 0.437 56 R N 2.554 123.120 120.500 0.110 0.000 2.338 56 R HA 0.569 4.909 4.340 0.000 0.000 0.317 56 R C -0.785 175.545 176.300 0.049 0.000 0.968 56 R CA -0.524 55.643 56.100 0.113 0.000 0.849 56 R CB 1.137 31.471 30.300 0.058 0.000 1.128 56 R HN 0.409 nan 8.270 nan 0.000 0.448 57 L N 1.912 123.161 121.223 0.043 0.000 2.334 57 L HA 0.553 4.893 4.340 0.000 0.000 0.273 57 L C -0.297 176.572 176.870 -0.000 0.000 1.013 57 L CA -0.762 54.085 54.840 0.011 0.000 0.816 57 L CB 1.939 44.002 42.059 0.005 0.000 1.278 57 L HN 0.450 nan 8.230 nan 0.000 0.431 58 Q N 1.618 121.406 119.800 -0.020 0.000 2.285 58 Q HA 0.556 4.896 4.340 0.000 0.000 0.269 58 Q C -1.823 174.146 176.000 -0.051 0.000 1.030 58 Q CA -0.483 55.299 55.803 -0.034 0.000 0.788 58 Q CB 2.792 31.497 28.738 -0.055 0.000 1.266 58 Q HN 0.427 nan 8.270 nan 0.000 0.438 59 V N 5.713 125.601 119.914 -0.042 0.000 2.376 59 V HA 0.438 4.558 4.120 0.000 0.000 0.287 59 V C -0.732 175.351 176.094 -0.018 0.000 1.015 59 V CA -0.522 61.751 62.300 -0.044 0.000 0.834 59 V CB 1.337 33.130 31.823 -0.049 0.000 1.001 59 V HN 0.692 nan 8.190 nan 0.000 0.428 60 L N 5.712 126.887 121.223 -0.081 0.000 2.325 60 L HA 0.639 4.979 4.340 0.000 0.000 0.281 60 L C -0.303 176.565 176.870 -0.002 0.000 1.004 60 L CA -0.554 54.192 54.840 -0.157 0.000 0.823 60 L CB 1.760 43.504 42.059 -0.525 0.000 1.236 60 L HN 0.683 nan 8.230 nan 0.000 0.415 61 D N 0.605 121.089 120.400 0.140 0.000 2.569 61 D HA 0.149 4.789 4.640 0.000 0.000 0.266 61 D C 0.285 176.658 176.300 0.121 0.000 1.164 61 D CA -0.594 53.475 54.000 0.114 0.000 1.071 61 D CB 0.947 41.818 40.800 0.119 0.000 1.183 61 D HN 0.331 nan 8.370 nan 0.000 0.613 62 D N -1.075 119.334 120.400 0.014 0.000 2.117 62 D HA -0.168 4.472 4.640 0.000 0.000 0.197 62 D C 1.758 178.064 176.300 0.011 0.000 0.987 62 D CA 1.151 55.134 54.000 -0.028 0.000 0.829 62 D CB -0.103 40.625 40.800 -0.119 0.000 0.961 62 D HN 0.426 nan 8.370 nan 0.000 0.460 63 H N -0.131 119.005 119.070 0.111 0.000 2.353 63 H HA -0.178 4.378 4.556 0.000 0.000 0.298 63 H C 2.039 177.408 175.328 0.069 0.000 1.103 63 H CA 1.067 57.171 56.048 0.094 0.000 1.293 63 H CB -0.748 29.091 29.762 0.128 0.000 1.372 63 H HN 0.355 nan 8.280 nan 0.000 0.501 64 Y N 1.847 122.194 120.300 0.077 0.000 2.097 64 Y HA -0.227 4.323 4.550 -0.000 0.000 0.282 64 Y C 2.718 178.571 175.900 -0.078 0.000 1.152 64 Y CA 1.706 59.730 58.100 -0.127 0.000 1.136 64 Y CB -0.101 38.207 38.460 -0.254 0.000 0.975 64 Y HN -0.043 nan 8.280 nan 0.000 0.498 65 R N 0.064 120.637 120.500 0.121 0.000 2.115 65 R HA -0.141 4.199 4.340 0.000 0.000 0.230 65 R C 1.746 178.022 176.300 -0.040 0.000 1.111 65 R CA 1.354 57.466 56.100 0.021 0.000 0.976 65 R CB -0.302 30.053 30.300 0.091 0.000 0.870 65 R HN 0.422 nan 8.270 nan 0.000 0.445 66 D N 0.168 120.567 120.400 -0.002 0.000 2.097 66 D HA -0.123 4.517 4.640 0.000 0.000 0.195 66 D C 1.973 178.259 176.300 -0.025 0.000 0.989 66 D CA 1.083 55.086 54.000 0.004 0.000 0.827 66 D CB -0.225 40.607 40.800 0.054 0.000 0.966 66 D HN -0.015 nan 8.370 nan 0.000 0.456 67 V N 1.142 121.022 119.914 -0.057 0.000 2.343 67 V HA -0.209 3.911 4.120 0.000 0.000 0.247 67 V C 2.480 178.507 176.094 -0.112 0.000 1.051 67 V CA 1.063 63.313 62.300 -0.083 0.000 1.036 67 V CB -0.470 31.272 31.823 -0.136 0.000 0.654 67 V HN 0.135 nan 8.190 nan 0.000 0.451 68 L N 0.624 121.715 121.223 -0.220 0.000 2.042 68 L HA -0.203 4.137 4.340 0.000 0.000 0.210 68 L C 2.427 179.233 176.870 -0.107 0.000 1.076 68 L CA 2.378 57.091 54.840 -0.213 0.000 0.749 68 L CB -0.856 41.007 42.059 -0.327 0.000 0.893 68 L HN 0.304 nan 8.230 nan 0.000 0.432 69 K N -0.439 119.916 120.400 -0.076 0.000 2.044 69 K HA -0.243 4.077 4.320 0.000 0.000 0.210 69 K C 1.982 178.565 176.600 -0.028 0.000 1.049 69 K CA 2.131 58.394 56.287 -0.040 0.000 0.927 69 K CB -0.201 32.285 32.500 -0.023 0.000 0.713 69 K HN 0.531 nan 8.250 nan 0.000 0.443 70 E N 0.103 120.292 120.200 -0.019 0.000 2.051 70 E HA -0.219 4.131 4.350 0.000 0.000 0.192 70 E C 2.166 178.764 176.600 -0.004 0.000 0.991 70 E CA 1.802 58.202 56.400 -0.000 0.000 0.799 70 E CB -0.129 29.584 29.700 0.022 0.000 0.748 70 E HN 0.382 nan 8.360 nan 0.000 0.449 71 M N 0.686 120.283 119.600 -0.006 0.000 2.080 71 M HA -0.221 4.259 4.480 0.000 0.000 0.260 71 M C 2.268 178.539 176.300 -0.048 0.000 1.068 71 M CA 1.600 56.884 55.300 -0.025 0.000 1.109 71 M CB -0.272 32.312 32.600 -0.026 0.000 1.342 71 M HN -0.040 nan 8.290 nan 0.000 0.405 72 K N 0.199 120.569 120.400 -0.049 0.000 2.063 72 K HA -0.135 4.185 4.320 0.000 0.000 0.208 72 K C 2.106 178.689 176.600 -0.030 0.000 1.048 72 K CA 1.505 57.767 56.287 -0.043 0.000 0.928 72 K CB -0.295 32.180 32.500 -0.042 0.000 0.713 72 K HN 0.334 nan 8.250 nan 0.000 0.442 73 A N 1.771 124.576 122.820 -0.024 0.000 1.902 73 A HA -0.210 4.110 4.320 0.000 0.000 0.217 73 A C 1.907 179.478 177.584 -0.020 0.000 1.181 73 A CA 1.598 53.625 52.037 -0.017 0.000 0.623 73 A CB -0.278 18.715 19.000 -0.011 0.000 0.818 73 A HN 0.210 nan 8.150 nan 0.000 0.443 74 K N -0.374 120.010 120.400 -0.028 0.000 2.057 74 K HA -0.010 4.310 4.320 0.000 0.000 0.206 74 K C 2.267 178.841 176.600 -0.043 0.000 1.050 74 K CA 1.077 57.342 56.287 -0.038 0.000 0.935 74 K CB -0.315 32.154 32.500 -0.052 0.000 0.715 74 K HN 0.425 nan 8.250 nan 0.000 0.439 75 A N 1.388 124.181 122.820 -0.045 0.000 1.972 75 A HA -0.170 4.150 4.320 0.000 0.000 0.219 75 A C 2.114 179.687 177.584 -0.018 0.000 1.169 75 A CA 1.976 53.992 52.037 -0.035 0.000 0.635 75 A CB -0.658 18.323 19.000 -0.030 0.000 0.810 75 A HN 0.392 nan 8.150 nan 0.000 0.446 76 S N -0.032 115.659 115.700 -0.016 0.000 2.469 76 S HA -0.140 4.330 4.470 0.000 0.000 0.238 76 S C 1.755 176.350 174.600 -0.008 0.000 0.998 76 S CA 1.863 60.059 58.200 -0.008 0.000 0.957 76 S CB -1.088 62.108 63.200 -0.007 0.000 0.764 76 S HN 0.806 nan 8.310 nan 0.000 0.514 77 T N -0.774 113.771 114.554 -0.015 0.000 3.081 77 T HA 0.265 4.615 4.350 0.000 0.000 0.255 77 T C 0.511 175.201 174.700 -0.016 0.000 1.113 77 T CA 0.002 62.093 62.100 -0.015 0.000 1.082 77 T CB -0.466 68.391 68.868 -0.019 0.000 0.939 77 T HN 0.174 nan 8.240 nan 0.000 0.506 78 V N 2.172 122.075 119.914 -0.018 0.000 2.530 78 V HA 0.363 4.483 4.120 0.000 0.000 0.282 78 V C 0.136 176.225 176.094 -0.009 0.000 1.048 78 V CA -0.732 61.556 62.300 -0.020 0.000 0.997 78 V CB 1.059 32.865 31.823 -0.028 0.000 0.987 78 V HN 0.412 nan 8.190 nan 0.000 0.477 79 K N 3.898 124.293 120.400 -0.008 0.000 2.358 79 K HA 0.755 5.075 4.320 0.000 0.000 0.260 79 K C -0.617 175.983 176.600 -0.001 0.000 0.956 79 K CA -0.391 55.896 56.287 -0.000 0.000 0.834 79 K CB 1.469 33.970 32.500 0.001 0.000 1.102 79 K HN 0.829 nan 8.250 nan 0.000 0.431 80 A N 3.862 126.685 122.820 0.005 0.000 2.380 80 A HA 0.587 4.907 4.320 0.000 0.000 0.315 80 A C -1.304 176.292 177.584 0.020 0.000 1.101 80 A CA -0.941 51.100 52.037 0.006 0.000 0.771 80 A CB 1.025 20.023 19.000 -0.003 0.000 1.287 80 A HN 0.842 nan 8.150 nan 0.000 0.436 81 K N 1.184 121.599 120.400 0.025 0.000 2.221 81 K HA 0.755 5.075 4.320 0.000 0.000 0.243 81 K C -1.189 175.436 176.600 0.041 0.000 0.968 81 K CA -0.688 55.617 56.287 0.031 0.000 0.846 81 K CB 1.314 33.828 32.500 0.023 0.000 1.141 81 K HN 0.491 nan 8.250 nan 0.000 0.434 82 L N 2.495 123.739 121.223 0.035 0.000 2.455 82 L HA 0.088 4.428 4.340 0.000 0.000 0.272 82 L C -0.176 176.679 176.870 -0.026 0.000 1.174 82 L CA -0.779 54.069 54.840 0.012 0.000 0.869 82 L CB 0.160 42.212 42.059 -0.011 0.000 1.130 82 L HN 0.477 nan 8.230 nan 0.000 0.474 83 L N 2.760 123.960 121.223 -0.038 0.000 2.417 83 L HA 0.161 4.501 4.340 0.000 0.000 0.268 83 L C 0.675 177.449 176.870 -0.161 0.000 1.158 83 L CA 0.462 55.260 54.840 -0.071 0.000 0.819 83 L CB 1.336 43.359 42.059 -0.060 0.000 1.112 83 L HN 0.745 nan 8.230 nan 0.000 0.458 84 S N 1.365 116.979 115.700 -0.143 0.000 2.593 84 S HA 0.219 4.689 4.470 0.000 0.000 0.269 84 S C 1.393 175.863 174.600 -0.216 0.000 1.334 84 S CA -0.694 57.400 58.200 -0.177 0.000 1.015 84 S CB 0.829 63.959 63.200 -0.115 0.000 0.912 84 S HN 0.340 nan 8.310 nan 0.000 0.541 85 V N 1.948 121.707 119.914 -0.258 0.000 2.250 85 V HA -0.248 3.872 4.120 0.000 0.000 0.250 85 V C 2.665 178.653 176.094 -0.177 0.000 1.060 85 V CA 2.628 64.768 62.300 -0.268 0.000 1.030 85 V CB -1.424 30.214 31.823 -0.309 0.000 0.643 85 V HN 0.903 nan 8.190 nan 0.000 0.445 86 E N 0.053 120.174 120.200 -0.131 0.000 2.038 86 E HA -0.236 4.114 4.350 0.000 0.000 0.195 86 E C 2.192 178.727 176.600 -0.107 0.000 1.000 86 E CA 1.725 58.065 56.400 -0.100 0.000 0.803 86 E CB -0.361 29.295 29.700 -0.074 0.000 0.750 86 E HN 0.687 nan 8.360 nan 0.000 0.448 87 E N 0.033 120.165 120.200 -0.112 0.000 2.085 87 E HA -0.215 4.135 4.350 0.000 0.000 0.194 87 E C 2.011 178.512 176.600 -0.164 0.000 0.994 87 E CA 1.151 57.478 56.400 -0.121 0.000 0.801 87 E CB -0.191 29.446 29.700 -0.105 0.000 0.743 87 E HN 0.300 nan 8.360 nan 0.000 0.453 88 A N 0.458 123.176 122.820 -0.170 0.000 1.898 88 A HA -0.176 4.144 4.320 0.000 0.000 0.216 88 A C 2.400 179.891 177.584 -0.156 0.000 1.181 88 A CA 1.093 53.021 52.037 -0.182 0.000 0.620 88 A CB -0.788 18.116 19.000 -0.160 0.000 0.819 88 A HN 0.378 nan 8.150 nan 0.000 0.442 89 C N -0.046 119.175 119.300 -0.132 0.000 2.413 89 C HA -0.081 4.379 4.460 0.000 0.000 0.276 89 C C 2.473 177.397 174.990 -0.111 0.000 1.248 89 C CA 1.303 60.257 59.018 -0.106 0.000 1.742 89 C CB -0.734 26.948 27.740 -0.096 0.000 2.017 89 C HN 0.481 nan 8.230 nan 0.000 0.481 90 K N 0.839 121.171 120.400 -0.113 0.000 2.439 90 K HA 0.120 4.440 4.320 0.000 0.000 0.197 90 K C 1.382 177.929 176.600 -0.088 0.000 1.041 90 K CA 0.702 56.935 56.287 -0.090 0.000 0.970 90 K CB -0.395 32.063 32.500 -0.070 0.000 0.773 90 K HN 0.543 nan 8.250 nan 0.000 0.479 91 L N 0.815 121.944 121.223 -0.157 0.000 2.591 91 L HA 0.036 4.376 4.340 0.000 0.000 0.228 91 L C 0.318 177.093 176.870 -0.160 0.000 1.133 91 L CA 0.148 54.865 54.840 -0.205 0.000 0.880 91 L CB -0.100 41.714 42.059 -0.409 0.000 1.033 91 L HN -0.118 nan 8.230 nan 0.000 0.450 92 T N 1.844 116.313 114.554 -0.142 0.000 2.794 92 T HA 0.213 4.563 4.350 0.000 0.000 0.296 92 T C -2.321 172.236 174.700 -0.239 0.000 0.949 92 T CA -1.135 60.876 62.100 -0.148 0.000 1.101 92 T CB 0.977 69.776 68.868 -0.115 0.000 0.905 92 T HN -0.145 nan 8.240 nan 0.000 0.516 93 P HA 0.130 nan 4.420 nan 0.000 0.265 93 P C -1.901 175.104 177.300 -0.491 0.000 1.193 93 P CA -1.342 61.501 63.100 -0.427 0.000 0.765 93 P CB 0.159 31.751 31.700 -0.181 0.000 0.823 94 P HA -0.178 nan 4.420 nan 0.000 0.218 94 P C 0.603 177.543 177.300 -0.599 0.000 1.146 94 P CA 1.713 64.399 63.100 -0.690 0.000 0.813 94 P CB -0.161 30.996 31.700 -0.904 0.000 0.778 95 H N -2.424 116.538 119.070 -0.181 0.000 2.505 95 H HA 0.265 4.821 4.556 0.000 0.000 0.286 95 H C 0.491 175.753 175.328 -0.111 0.000 1.072 95 H CA -0.250 55.727 56.048 -0.117 0.000 1.141 95 H CB -0.114 29.594 29.762 -0.091 0.000 1.550 95 H HN 0.051 nan 8.280 nan 0.000 0.547 96 S N 1.210 116.867 115.700 -0.072 0.000 2.560 96 S HA 0.317 4.787 4.470 0.000 0.000 0.284 96 S C 0.728 175.292 174.600 -0.060 0.000 1.327 96 S CA -0.477 57.674 58.200 -0.082 0.000 1.055 96 S CB 0.360 63.502 63.200 -0.097 0.000 0.868 96 S HN 0.523 nan 8.310 nan 0.000 0.506 97 A N 4.925 127.696 122.820 -0.081 0.000 2.584 97 A HA 0.164 4.484 4.320 0.000 0.000 0.239 97 A C 0.676 178.250 177.584 -0.017 0.000 1.043 97 A CA 0.110 52.125 52.037 -0.036 0.000 0.756 97 A CB -0.219 18.770 19.000 -0.019 0.000 0.963 97 A HN 0.873 nan 8.150 nan 0.000 0.511 98 K N 2.439 122.821 120.400 -0.030 0.000 2.276 98 K HA 0.305 4.625 4.320 0.000 0.000 0.259 98 K C 0.363 176.879 176.600 -0.139 0.000 1.001 98 K CA 0.072 56.306 56.287 -0.088 0.000 0.927 98 K CB 0.452 32.902 32.500 -0.083 0.000 0.969 98 K HN 0.468 nan 8.250 nan 0.000 0.490 99 S N 0.447 115.949 115.700 -0.329 0.000 2.579 99 S HA 0.026 4.496 4.470 0.000 0.000 0.275 99 S C 0.810 175.219 174.600 -0.318 0.000 1.345 99 S CA -0.362 57.602 58.200 -0.392 0.000 1.031 99 S CB 0.628 63.228 63.200 -1.000 0.000 0.892 99 S HN 0.703 nan 8.310 nan 0.000 0.529 100 K N 1.915 122.122 120.400 -0.321 0.000 2.288 100 K HA 0.010 4.330 4.320 0.000 0.000 0.201 100 K C 0.134 176.359 176.600 -0.626 0.000 1.048 100 K CA 1.055 57.029 56.287 -0.522 0.000 0.956 100 K CB -0.108 31.918 32.500 -0.790 0.000 0.746 100 K HN 0.638 nan 8.250 nan 0.000 0.461 101 F N 0.467 120.247 119.950 -0.283 0.000 2.798 101 F HA 0.240 4.767 4.527 0.000 0.000 0.291 101 F C 0.924 176.637 175.800 -0.145 0.000 1.174 101 F CA -0.241 57.608 58.000 -0.253 0.000 1.392 101 F CB 0.612 39.318 39.000 -0.491 0.000 0.966 101 F HN 0.036 nan 8.300 nan 0.000 0.509 102 G N 0.818 109.585 108.800 -0.056 0.000 2.204 102 G HA2 -0.260 3.700 3.960 0.000 0.000 0.244 102 G HA3 -0.260 3.700 3.960 0.000 0.000 0.244 102 G C -0.506 174.488 174.900 0.156 0.000 1.062 102 G CA 0.079 45.202 45.100 0.039 0.000 0.798 102 G HN 0.635 nan 8.290 nan 0.000 0.496 103 Y N -3.166 117.125 120.300 -0.015 0.000 2.662 103 Y HA 0.708 5.258 4.550 0.000 0.000 0.334 103 Y C 0.331 176.231 175.900 -0.001 0.000 1.185 103 Y CA -0.832 57.265 58.100 -0.005 0.000 1.074 103 Y CB 0.358 38.819 38.460 0.003 0.000 1.330 103 Y HN 0.787 nan 8.280 nan 0.000 0.458 104 G N 0.091 108.962 108.800 0.117 0.000 3.209 104 G HA2 0.570 4.530 3.960 0.000 0.000 0.236 104 G HA3 0.570 4.530 3.960 0.000 0.000 0.236 104 G C 0.172 175.130 174.900 0.097 0.000 1.329 104 G CA -0.696 44.416 45.100 0.021 0.000 1.015 104 G HN 1.232 nan 8.290 nan 0.000 0.571 105 A N -0.619 122.210 122.820 0.015 0.000 1.897 105 A HA 0.100 4.420 4.320 0.000 0.000 0.215 105 A C 2.199 179.754 177.584 -0.049 0.000 1.181 105 A CA 1.894 53.918 52.037 -0.021 0.000 0.620 105 A CB -0.360 18.587 19.000 -0.088 0.000 0.821 105 A HN 0.462 nan 8.150 nan 0.000 0.443 106 K N 0.505 120.872 120.400 -0.055 0.000 2.097 106 K HA -0.090 4.230 4.320 0.000 0.000 0.205 106 K C 1.436 178.020 176.600 -0.026 0.000 1.050 106 K CA 1.447 57.694 56.287 -0.066 0.000 0.938 106 K CB -0.173 32.291 32.500 -0.059 0.000 0.718 106 K HN 0.441 nan 8.250 nan 0.000 0.442 107 D N 0.023 120.438 120.400 0.025 0.000 2.123 107 D HA -0.146 4.494 4.640 0.000 0.000 0.196 107 D C 1.895 178.200 176.300 0.009 0.000 0.992 107 D CA 1.009 55.033 54.000 0.039 0.000 0.833 107 D CB -0.350 40.522 40.800 0.120 0.000 0.954 107 D HN -0.069 nan 8.370 nan 0.000 0.455 108 V N 1.304 121.246 119.914 0.046 0.000 2.233 108 V HA -0.256 3.864 4.120 0.000 0.000 0.247 108 V C 2.486 178.552 176.094 -0.046 0.000 1.050 108 V CA 1.769 64.072 62.300 0.006 0.000 1.010 108 V CB -0.382 31.476 31.823 0.058 0.000 0.637 108 V HN 0.148 nan 8.190 nan 0.000 0.444 109 R N 0.317 120.779 120.500 -0.064 0.000 2.152 109 R HA -0.098 4.242 4.340 0.000 0.000 0.232 109 R C 1.686 177.944 176.300 -0.069 0.000 1.117 109 R CA 1.300 57.347 56.100 -0.088 0.000 0.981 109 R CB -0.342 29.880 30.300 -0.130 0.000 0.870 109 R HN 0.508 nan 8.270 nan 0.000 0.451 110 N N 0.723 119.389 118.700 -0.056 0.000 2.336 110 N HA 0.090 4.830 4.740 0.000 0.000 0.189 110 N C 0.157 175.640 175.510 -0.044 0.000 1.113 110 N CA 0.225 53.247 53.050 -0.046 0.000 0.858 110 N CB 0.357 38.822 38.487 -0.037 0.000 0.970 110 N HN 0.122 nan 8.380 nan 0.000 0.471 111 L N 0.686 121.877 121.223 -0.053 0.000 3.717 111 L HA -0.227 4.113 4.340 0.000 0.000 0.414 111 L C 0.285 177.122 176.870 -0.055 0.000 1.228 111 L CA 0.000 54.805 54.840 -0.058 0.000 0.918 111 L CB -2.704 39.325 42.059 -0.050 0.000 1.865 111 L HN 0.135 nan 8.230 nan 0.000 0.922 112 S N -0.739 114.927 115.700 -0.057 0.000 2.568 112 S HA 0.263 4.733 4.470 0.000 0.000 0.282 112 S C 1.524 176.082 174.600 -0.070 0.000 1.338 112 S CA -0.001 58.168 58.200 -0.051 0.000 1.045 112 S CB 1.792 64.971 63.200 -0.036 0.000 0.873 112 S HN 0.552 nan 8.310 nan 0.000 0.516 113 S N 2.592 118.263 115.700 -0.048 0.000 2.370 113 S HA -0.184 4.286 4.470 0.000 0.000 0.226 113 S C 1.817 176.380 174.600 -0.062 0.000 1.033 113 S CA 1.062 59.237 58.200 -0.043 0.000 1.011 113 S CB -0.603 62.582 63.200 -0.025 0.000 0.852 113 S HN 0.734 nan 8.310 nan 0.000 0.457 114 K N 1.656 122.014 120.400 -0.070 0.000 2.057 114 K HA 0.040 4.360 4.320 0.000 0.000 0.207 114 K C 2.422 178.854 176.600 -0.279 0.000 1.049 114 K CA 1.469 57.706 56.287 -0.084 0.000 0.931 114 K CB -0.983 31.509 32.500 -0.015 0.000 0.714 114 K HN 0.513 nan 8.250 nan 0.000 0.440 115 A N 0.480 123.023 122.820 -0.461 0.000 1.855 115 A HA -0.104 4.216 4.320 0.000 0.000 0.215 115 A C 2.400 179.711 177.584 -0.455 0.000 1.191 115 A CA 1.663 53.147 52.037 -0.923 0.000 0.613 115 A CB -0.658 17.983 19.000 -0.599 0.000 0.829 115 A HN 0.111 nan 8.150 nan 0.000 0.442 116 V N 0.820 120.606 119.914 -0.215 0.000 2.427 116 V HA -0.272 3.848 4.120 0.000 0.000 0.248 116 V C 2.120 178.250 176.094 0.060 0.000 1.051 116 V CA 2.218 64.469 62.300 -0.082 0.000 1.048 116 V CB -1.225 30.588 31.823 -0.017 0.000 0.666 116 V HN 0.632 nan 8.190 nan 0.000 0.456 117 N N -0.903 117.819 118.700 0.036 0.000 2.142 117 N HA -0.198 4.542 4.740 0.000 0.000 0.186 117 N C 1.995 177.550 175.510 0.076 0.000 1.023 117 N CA 1.141 54.239 53.050 0.080 0.000 0.852 117 N CB -0.251 38.254 38.487 0.030 0.000 0.998 117 N HN 0.573 nan 8.380 nan 0.000 0.424 118 H N 1.311 120.338 119.070 -0.071 0.000 2.353 118 H HA -0.036 4.520 4.556 0.000 0.000 0.300 118 H C 2.070 177.383 175.328 -0.025 0.000 1.090 118 H CA 1.243 57.265 56.048 -0.044 0.000 1.327 118 H CB -0.009 29.759 29.762 0.010 0.000 1.383 118 H HN 0.174 nan 8.280 nan 0.000 0.508 119 I N 0.338 120.857 120.570 -0.085 0.000 2.194 119 I HA -0.321 3.849 4.170 0.000 0.000 0.246 119 I C 2.354 178.388 176.117 -0.138 0.000 1.093 119 I CA 1.660 62.883 61.300 -0.128 0.000 1.355 119 I CB -0.417 37.488 38.000 -0.158 0.000 1.046 119 I HN 0.330 nan 8.210 nan 0.000 0.413 120 H N -0.222 118.814 119.070 -0.056 0.000 2.387 120 H HA -0.151 4.405 4.556 0.000 0.000 0.299 120 H C 2.532 177.868 175.328 0.014 0.000 1.090 120 H CA 1.824 57.869 56.048 -0.005 0.000 1.332 120 H CB -0.058 29.686 29.762 -0.029 0.000 1.386 120 H HN 0.382 nan 8.280 nan 0.000 0.516 121 S N -0.093 115.624 115.700 0.029 0.000 2.402 121 S HA -0.114 4.356 4.470 0.000 0.000 0.229 121 S C 2.232 176.753 174.600 -0.131 0.000 1.021 121 S CA 1.088 59.253 58.200 -0.059 0.000 0.974 121 S CB -0.636 62.496 63.200 -0.114 0.000 0.800 121 S HN 0.161 nan 8.310 nan 0.000 0.484 122 V N 0.921 120.702 119.914 -0.222 0.000 2.307 122 V HA -0.123 3.998 4.120 0.000 0.000 0.245 122 V C 2.254 178.330 176.094 -0.030 0.000 1.045 122 V CA 1.822 64.011 62.300 -0.185 0.000 1.024 122 V CB -1.104 30.593 31.823 -0.210 0.000 0.651 122 V HN 0.701 nan 8.190 nan 0.000 0.449 123 W N 1.378 122.598 121.300 -0.134 0.000 2.333 123 W HA -0.278 4.382 4.660 0.000 0.000 0.316 123 W C 2.595 179.078 176.519 -0.059 0.000 1.215 123 W CA 2.495 59.788 57.345 -0.086 0.000 1.278 123 W CB -0.249 29.162 29.460 -0.083 0.000 1.154 123 W HN 0.231 nan 8.180 nan 0.000 0.486 124 K N 0.465 120.930 120.400 0.108 0.000 2.044 124 K HA -0.301 4.019 4.320 0.000 0.000 0.210 124 K C 1.787 178.329 176.600 -0.097 0.000 1.049 124 K CA 2.459 58.751 56.287 0.008 0.000 0.927 124 K CB -0.657 31.876 32.500 0.055 0.000 0.713 124 K HN 0.088 nan 8.250 nan 0.000 0.443 125 D N -0.048 120.293 120.400 -0.098 0.000 2.117 125 D HA -0.153 4.487 4.640 0.000 0.000 0.197 125 D C 1.966 178.169 176.300 -0.161 0.000 0.987 125 D CA 1.066 54.998 54.000 -0.114 0.000 0.829 125 D CB 0.046 40.783 40.800 -0.106 0.000 0.961 125 D HN 0.208 nan 8.370 nan 0.000 0.460 126 L N 0.038 121.124 121.223 -0.229 0.000 2.043 126 L HA -0.198 4.142 4.340 0.000 0.000 0.212 126 L C 2.533 179.209 176.870 -0.323 0.000 1.075 126 L CA 0.857 55.514 54.840 -0.305 0.000 0.752 126 L CB -0.468 41.327 42.059 -0.440 0.000 0.891 126 L HN 0.260 nan 8.230 nan 0.000 0.432 127 L N -0.841 120.157 121.223 -0.374 0.000 2.056 127 L HA -0.185 4.155 4.340 0.000 0.000 0.207 127 L C 2.461 179.233 176.870 -0.164 0.000 1.078 127 L CA 1.229 55.897 54.840 -0.287 0.000 0.749 127 L CB -0.484 41.416 42.059 -0.266 0.000 0.901 127 L HN 0.268 nan 8.230 nan 0.000 0.433 128 E N -0.533 119.587 120.200 -0.133 0.000 2.072 128 E HA -0.156 4.194 4.350 0.000 0.000 0.191 128 E C 0.554 177.106 176.600 -0.081 0.000 0.985 128 E CA 0.789 57.137 56.400 -0.087 0.000 0.801 128 E CB 0.258 29.917 29.700 -0.069 0.000 0.750 128 E HN 0.201 nan 8.360 nan 0.000 0.452 129 D N -0.681 119.662 120.400 -0.095 0.000 2.425 129 D HA 0.050 4.690 4.640 0.000 0.000 0.240 129 D C -0.275 175.972 176.300 -0.089 0.000 1.080 129 D CA -0.130 53.824 54.000 -0.078 0.000 0.836 129 D CB 1.429 42.188 40.800 -0.069 0.000 1.125 129 D HN -0.004 nan 8.370 nan 0.000 0.525 130 T N 0.310 114.821 114.554 -0.072 0.000 3.174 130 T HA 0.183 4.533 4.350 0.000 0.000 0.269 130 T C 1.192 175.861 174.700 -0.052 0.000 1.017 130 T CA 0.292 62.349 62.100 -0.071 0.000 0.899 130 T CB -0.165 68.665 68.868 -0.062 0.000 1.077 130 T HN 0.214 nan 8.240 nan 0.000 0.552 131 V N -2.932 116.956 119.914 -0.044 0.000 3.350 131 V HA 0.383 4.503 4.120 0.000 0.000 0.246 131 V C 0.517 176.600 176.094 -0.018 0.000 1.363 131 V CA -0.044 62.239 62.300 -0.027 0.000 1.162 131 V CB -0.151 31.659 31.823 -0.021 0.000 0.947 131 V HN 0.277 nan 8.190 nan 0.000 0.454 132 T N 4.656 119.196 114.554 -0.023 0.000 2.738 132 T HA 0.382 4.732 4.350 0.000 0.000 0.293 132 T C -2.555 172.143 174.700 -0.004 0.000 0.913 132 T CA -0.528 61.568 62.100 -0.008 0.000 1.103 132 T CB 0.718 69.580 68.868 -0.009 0.000 0.880 132 T HN 0.346 nan 8.240 nan 0.000 0.526 133 P HA 0.082 nan 4.420 nan 0.000 0.261 133 P C -0.232 177.071 177.300 0.003 0.000 1.173 133 P CA 0.097 63.212 63.100 0.026 0.000 0.760 133 P CB 0.249 32.010 31.700 0.102 0.000 0.783 134 I N 2.713 123.267 120.570 -0.026 0.000 2.395 134 I HA 0.114 4.284 4.170 0.000 0.000 0.289 134 I C 0.988 177.092 176.117 -0.022 0.000 1.023 134 I CA -0.364 60.924 61.300 -0.020 0.000 1.350 134 I CB 0.676 38.652 38.000 -0.040 0.000 1.409 134 I HN 0.321 nan 8.210 nan 0.000 0.507 135 D N 4.441 124.844 120.400 0.004 0.000 2.443 135 D HA 0.137 4.777 4.640 0.000 0.000 0.239 135 D C -0.284 175.988 176.300 -0.047 0.000 1.136 135 D CA 0.268 54.259 54.000 -0.015 0.000 0.879 135 D CB 0.766 41.573 40.800 0.012 0.000 1.195 135 D HN 0.603 nan 8.370 nan 0.000 0.443 136 T N -0.372 114.126 114.554 -0.093 0.000 2.916 136 T HA 0.600 4.950 4.350 0.000 0.000 0.292 136 T C -0.269 174.289 174.700 -0.237 0.000 1.055 136 T CA -0.993 61.012 62.100 -0.158 0.000 1.009 136 T CB 1.592 70.388 68.868 -0.120 0.000 1.118 136 T HN 0.230 nan 8.240 nan 0.000 0.497 137 T N 2.241 116.504 114.554 -0.484 0.000 2.837 137 T HA 0.563 4.913 4.350 0.000 0.000 0.285 137 T C -0.300 174.155 174.700 -0.408 0.000 0.984 137 T CA -0.605 61.187 62.100 -0.513 0.000 1.049 137 T CB 0.723 69.110 68.868 -0.801 0.000 0.947 137 T HN 0.709 nan 8.240 nan 0.000 0.472 138 I N 3.991 124.475 120.570 -0.142 0.000 2.377 138 I HA 0.513 4.683 4.170 0.000 0.000 0.293 138 I C -0.944 175.207 176.117 0.057 0.000 0.987 138 I CA -0.792 60.511 61.300 0.004 0.000 1.185 138 I CB 0.677 38.726 38.000 0.082 0.000 1.341 138 I HN 0.400 nan 8.210 nan 0.000 0.455 139 M N 6.370 126.053 119.600 0.139 0.000 2.572 139 M HA 0.487 4.967 4.480 0.000 0.000 0.299 139 M C -0.617 175.749 176.300 0.111 0.000 1.205 139 M CA -0.601 54.786 55.300 0.145 0.000 0.876 139 M CB 1.859 34.605 32.600 0.245 0.000 1.728 139 M HN 0.591 nan 8.290 nan 0.000 0.458 140 A N 2.634 125.498 122.820 0.073 0.000 2.320 140 A HA 0.484 4.804 4.320 0.000 0.000 0.287 140 A C -0.013 177.607 177.584 0.060 0.000 1.181 140 A CA -0.508 51.563 52.037 0.057 0.000 0.831 140 A CB 0.305 19.325 19.000 0.033 0.000 1.102 140 A HN 0.720 nan 8.150 nan 0.000 0.513 141 K N 2.489 122.927 120.400 0.062 0.000 2.270 141 K HA 0.121 4.441 4.320 0.000 0.000 0.276 141 K C -0.693 175.916 176.600 0.015 0.000 1.023 141 K CA -0.314 55.997 56.287 0.040 0.000 0.955 141 K CB 0.564 33.095 32.500 0.051 0.000 0.975 141 K HN 0.635 nan 8.250 nan 0.000 0.471 142 N N 3.833 122.512 118.700 -0.034 0.000 2.589 142 N HA 0.127 4.867 4.740 0.000 0.000 0.232 142 N C -0.781 174.605 175.510 -0.208 0.000 1.015 142 N CA -0.057 52.936 53.050 -0.095 0.000 0.931 142 N CB 0.999 39.431 38.487 -0.092 0.000 1.150 142 N HN 0.482 nan 8.380 nan 0.000 0.512 143 E N 0.324 120.387 120.200 -0.230 0.000 2.256 143 E HA 0.461 4.811 4.350 0.000 0.000 0.267 143 E C -0.623 175.545 176.600 -0.720 0.000 0.892 143 E CA -0.944 55.190 56.400 -0.444 0.000 0.775 143 E CB 2.511 31.995 29.700 -0.359 0.000 1.207 143 E HN 0.050 nan 8.360 nan 0.000 0.420 144 V N 3.296 122.649 119.914 -0.937 0.000 2.439 144 V HA 0.442 4.563 4.120 0.000 0.000 0.282 144 V C -0.751 174.670 176.094 -1.122 0.000 1.039 144 V CA -0.223 61.541 62.300 -0.894 0.000 0.913 144 V CB 0.027 31.454 31.823 -0.661 0.000 0.983 144 V HN 0.507 nan 8.190 nan 0.000 0.460 145 F N 2.310 121.901 119.950 -0.597 0.000 2.675 145 F HA 0.622 5.149 4.527 0.000 0.000 0.324 145 F C 0.139 175.745 175.800 -0.323 0.000 1.106 145 F CA -0.787 56.945 58.000 -0.446 0.000 0.970 145 F CB 1.254 39.997 39.000 -0.428 0.000 1.385 145 F HN 0.501 nan 8.300 nan 0.000 0.489 146 C N 2.434 121.837 119.300 0.172 0.000 2.358 146 C HA 0.772 5.232 4.460 0.000 0.000 0.342 146 C C 0.018 175.241 174.990 0.389 0.000 1.234 146 C CA -0.762 58.400 59.018 0.239 0.000 1.969 146 C CB 0.076 27.906 27.740 0.150 0.000 2.346 146 C HN 0.704 nan 8.230 nan 0.000 0.525 147 V N 5.719 125.880 119.914 0.412 0.000 2.694 147 V HA 0.292 4.412 4.120 0.000 0.000 0.306 147 V C -0.126 176.057 176.094 0.147 0.000 1.054 147 V CA 0.368 62.830 62.300 0.269 0.000 1.161 147 V CB 0.015 31.906 31.823 0.113 0.000 0.916 147 V HN 0.972 nan 8.190 nan 0.000 0.490 155 K N 2.790 123.200 120.400 0.017 0.000 2.249 155 K HA 0.331 4.651 4.320 0.000 0.000 0.280 155 K C -2.261 174.364 176.600 0.043 0.000 1.033 155 K CA -1.652 54.607 56.287 -0.046 0.000 0.946 155 K CB 0.515 32.854 32.500 -0.269 0.000 1.005 155 K HN 0.172 nan 8.250 nan 0.000 0.469 156 P HA 0.015 nan 4.420 nan 0.000 0.272 156 P C -0.899 176.445 177.300 0.072 0.000 1.230 156 P CA -0.457 62.667 63.100 0.040 0.000 0.788 156 P CB 0.582 32.289 31.700 0.012 0.000 0.949 157 A N 2.793 125.662 122.820 0.082 0.000 2.540 157 A HA 0.066 4.386 4.320 0.000 0.000 0.239 157 A C 0.535 178.168 177.584 0.082 0.000 1.061 157 A CA 0.113 52.209 52.037 0.097 0.000 0.758 157 A CB -0.394 18.649 19.000 0.072 0.000 0.991 157 A HN 0.460 nan 8.150 nan 0.000 0.502 158 R N 0.413 120.978 120.500 0.108 0.000 2.679 158 R HA 0.360 4.700 4.340 0.000 0.000 0.269 158 R C -0.901 175.455 176.300 0.094 0.000 1.076 158 R CA -0.460 55.704 56.100 0.106 0.000 1.160 158 R CB 0.252 30.630 30.300 0.131 0.000 1.054 158 R HN 0.495 nan 8.270 nan 0.000 0.507 159 L N 2.865 124.149 121.223 0.102 0.000 2.296 159 L HA 0.419 4.759 4.340 0.000 0.000 0.286 159 L C -0.469 176.490 176.870 0.149 0.000 1.023 159 L CA -0.464 54.439 54.840 0.105 0.000 0.812 159 L CB 1.277 43.381 42.059 0.076 0.000 1.223 159 L HN 0.493 nan 8.230 nan 0.000 0.421 160 I N 3.913 124.586 120.570 0.171 0.000 2.412 160 I HA 0.618 4.789 4.170 0.000 0.000 0.296 160 I C -0.852 175.442 176.117 0.295 0.000 0.987 160 I CA -0.260 61.176 61.300 0.228 0.000 1.180 160 I CB 1.613 39.736 38.000 0.205 0.000 1.340 160 I HN 0.253 nan 8.210 nan 0.000 0.455 161 V N 8.692 128.786 119.914 0.299 0.000 2.483 161 V HA 0.555 4.675 4.120 0.000 0.000 0.297 161 V C -0.889 175.378 176.094 0.288 0.000 1.027 161 V CA -0.476 61.954 62.300 0.216 0.000 0.855 161 V CB 1.087 33.012 31.823 0.169 0.000 0.995 161 V HN 0.598 nan 8.190 nan 0.000 0.424 162 F N 5.004 125.000 119.950 0.076 0.000 2.619 162 F HA 0.956 5.483 4.527 -0.000 0.000 0.308 162 F C -3.082 172.759 175.800 0.069 0.000 1.097 162 F CA -2.700 55.346 58.000 0.076 0.000 0.953 162 F CB 1.774 40.814 39.000 0.066 0.000 1.287 162 F HN 0.294 nan 8.300 nan 0.000 0.446 163 P HA 0.195 nan 4.420 nan 0.000 0.281 163 P C -1.010 176.401 177.300 0.186 0.000 1.281 163 P CA -0.177 62.982 63.100 0.099 0.000 0.811 163 P CB 1.187 32.956 31.700 0.114 0.000 1.154 164 D N -0.713 119.782 120.400 0.158 0.000 2.419 164 D HA -0.072 4.568 4.640 0.000 0.000 0.236 164 D C 1.365 177.797 176.300 0.219 0.000 1.165 164 D CA -0.229 53.896 54.000 0.207 0.000 0.882 164 D CB 0.279 41.255 40.800 0.293 0.000 1.201 164 D HN 0.109 nan 8.370 nan 0.000 0.443 165 L N 3.384 124.717 121.223 0.183 0.000 2.051 165 L HA -0.048 4.292 4.340 0.000 0.000 0.214 165 L C 2.049 179.057 176.870 0.229 0.000 1.076 165 L CA 2.626 57.561 54.840 0.159 0.000 0.758 165 L CB -1.132 40.965 42.059 0.064 0.000 0.890 165 L HN 0.661 nan 8.230 nan 0.000 0.433 166 G N -1.274 107.729 108.800 0.337 0.000 2.440 166 G HA2 -0.206 3.754 3.960 0.000 0.000 0.218 166 G HA3 -0.206 3.754 3.960 0.000 0.000 0.218 166 G C 1.523 176.537 174.900 0.189 0.000 1.154 166 G CA 1.133 46.453 45.100 0.367 0.000 0.767 166 G HN 0.369 nan 8.290 nan 0.000 0.552 167 V N 0.901 120.919 119.914 0.173 0.000 2.295 167 V HA -0.189 3.931 4.120 0.000 0.000 0.246 167 V C 2.920 179.095 176.094 0.135 0.000 1.049 167 V CA 2.039 64.413 62.300 0.123 0.000 1.024 167 V CB -0.545 31.343 31.823 0.109 0.000 0.648 167 V HN 0.331 nan 8.190 nan 0.000 0.447 168 R N -0.170 120.420 120.500 0.150 0.000 2.103 168 R HA -0.159 4.181 4.340 0.000 0.000 0.242 168 R C 2.233 178.596 176.300 0.105 0.000 1.142 168 R CA 1.662 57.843 56.100 0.136 0.000 0.960 168 R CB -0.814 29.562 30.300 0.126 0.000 0.858 168 R HN 0.428 nan 8.270 nan 0.000 0.439 169 V N 0.524 120.493 119.914 0.093 0.000 2.343 169 V HA -0.299 3.821 4.120 0.000 0.000 0.247 169 V C 2.535 178.660 176.094 0.052 0.000 1.051 169 V CA 1.604 63.930 62.300 0.043 0.000 1.036 169 V CB -0.456 31.385 31.823 0.030 0.000 0.654 169 V HN 0.467 nan 8.190 nan 0.000 0.451 170 C N -0.154 119.217 119.300 0.119 0.000 2.425 170 C HA -0.133 4.327 4.460 0.000 0.000 0.277 170 C C 2.660 177.818 174.990 0.281 0.000 1.280 170 C CA 0.897 60.064 59.018 0.248 0.000 1.744 170 C CB -0.984 26.947 27.740 0.318 0.000 1.989 170 C HN 0.629 nan 8.230 nan 0.000 0.491 171 E N 0.859 121.179 120.200 0.200 0.000 2.058 171 E HA -0.235 4.115 4.350 0.000 0.000 0.194 171 E C 2.135 178.852 176.600 0.194 0.000 0.997 171 E CA 1.220 57.749 56.400 0.214 0.000 0.801 171 E CB -0.180 29.657 29.700 0.229 0.000 0.746 171 E HN 0.633 nan 8.360 nan 0.000 0.450 172 K N 0.391 120.873 120.400 0.138 0.000 2.063 172 K HA -0.153 4.167 4.320 0.000 0.000 0.208 172 K C 2.230 178.888 176.600 0.097 0.000 1.048 172 K CA 1.534 57.886 56.287 0.109 0.000 0.928 172 K CB -0.158 32.329 32.500 -0.022 0.000 0.713 172 K HN 0.132 nan 8.250 nan 0.000 0.442 173 M N 0.289 119.910 119.600 0.036 0.000 2.065 173 M HA -0.204 4.276 4.480 0.000 0.000 0.259 173 M C 2.499 178.852 176.300 0.088 0.000 1.069 173 M CA 1.921 57.181 55.300 -0.066 0.000 1.110 173 M CB -0.458 31.916 32.600 -0.375 0.000 1.328 173 M HN 0.243 nan 8.290 nan 0.000 0.405 174 A N -0.574 122.423 122.820 0.295 0.000 1.968 174 A HA 0.006 4.326 4.320 0.000 0.000 0.217 174 A C 1.893 179.572 177.584 0.159 0.000 1.169 174 A CA 1.311 53.546 52.037 0.330 0.000 0.638 174 A CB -0.253 18.955 19.000 0.346 0.000 0.812 174 A HN 0.515 nan 8.150 nan 0.000 0.446 175 L N -3.539 117.764 121.223 0.134 0.000 3.128 175 L HA 0.186 4.526 4.340 0.000 0.000 0.277 175 L C 1.848 178.748 176.870 0.050 0.000 1.171 175 L CA 0.034 54.894 54.840 0.034 0.000 1.008 175 L CB 0.062 42.116 42.059 -0.008 0.000 1.442 175 L HN 0.438 nan 8.230 nan 0.000 0.584 176 Y N 1.546 121.858 120.300 0.021 0.000 2.128 176 Y HA -0.351 4.199 4.550 0.000 0.000 0.284 176 Y C 2.201 178.131 175.900 0.051 0.000 1.154 176 Y CA 2.370 60.499 58.100 0.049 0.000 1.149 176 Y CB 0.059 38.539 38.460 0.034 0.000 0.976 176 Y HN 0.224 nan 8.280 nan 0.000 0.505 177 D N -0.666 119.749 120.400 0.025 0.000 2.104 177 D HA -0.193 4.447 4.640 0.000 0.000 0.194 177 D C 2.279 178.506 176.300 -0.122 0.000 0.994 177 D CA 1.726 55.687 54.000 -0.065 0.000 0.830 177 D CB -0.356 40.460 40.800 0.026 0.000 0.959 177 D HN 0.250 nan 8.370 nan 0.000 0.452 178 V N 0.478 120.330 119.914 -0.102 0.000 2.231 178 V HA -0.268 3.852 4.120 0.000 0.000 0.248 178 V C 2.696 178.682 176.094 -0.180 0.000 1.054 178 V CA 2.070 64.288 62.300 -0.137 0.000 1.015 178 V CB -0.842 30.862 31.823 -0.199 0.000 0.638 178 V HN 0.361 nan 8.190 nan 0.000 0.444 179 V N -2.355 117.431 119.914 -0.213 0.000 2.970 179 V HA -0.086 4.034 4.120 0.000 0.000 0.260 179 V C 2.024 177.973 176.094 -0.241 0.000 1.100 179 V CA 2.085 64.258 62.300 -0.211 0.000 1.122 179 V CB -0.337 31.381 31.823 -0.174 0.000 0.721 179 V HN 0.475 nan 8.190 nan 0.000 0.483 180 S N 0.098 115.644 115.700 -0.256 0.000 2.496 180 S HA 0.024 4.494 4.470 0.000 0.000 0.224 180 S C 1.757 176.262 174.600 -0.158 0.000 0.996 180 S CA 1.371 59.440 58.200 -0.218 0.000 0.927 180 S CB 0.070 63.060 63.200 -0.349 0.000 0.774 180 S HN 0.787 nan 8.310 nan 0.000 0.524 181 T N 1.128 115.580 114.554 -0.170 0.000 3.075 181 T HA 0.285 4.635 4.350 0.000 0.000 0.251 181 T C 1.591 176.188 174.700 -0.172 0.000 0.979 181 T CA -0.237 61.780 62.100 -0.138 0.000 1.033 181 T CB -0.195 68.616 68.868 -0.096 0.000 1.104 181 T HN 0.179 nan 8.240 nan 0.000 0.473 182 L N 2.169 123.290 121.223 -0.171 0.000 2.042 182 L HA -0.022 4.318 4.340 0.000 0.000 0.210 182 L C -1.057 175.649 176.870 -0.275 0.000 1.076 182 L CA 1.611 56.355 54.840 -0.161 0.000 0.749 182 L CB -0.832 41.185 42.059 -0.071 0.000 0.893 182 L HN 0.148 nan 8.230 nan 0.000 0.432 183 P HA -0.219 nan 4.420 nan 0.000 0.215 183 P C 1.384 178.249 177.300 -0.725 0.000 1.157 183 P CA 1.223 63.883 63.100 -0.733 0.000 0.868 183 P CB -0.182 30.715 31.700 -1.338 0.000 0.788 184 Q N 0.117 119.542 119.800 -0.626 0.000 2.124 184 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 184 Q C 1.956 177.833 176.000 -0.206 0.000 0.977 184 Q CA 1.446 57.079 55.803 -0.284 0.000 0.850 184 Q CB -0.727 27.941 28.738 -0.117 0.000 0.901 184 Q HN 0.071 nan 8.270 nan 0.000 0.429 185 V N 0.081 119.876 119.914 -0.198 0.000 2.358 185 V HA -0.211 3.909 4.120 0.000 0.000 0.246 185 V C 2.492 178.495 176.094 -0.152 0.000 1.047 185 V CA 1.468 63.684 62.300 -0.139 0.000 1.035 185 V CB -0.438 31.320 31.823 -0.108 0.000 0.658 185 V HN 0.138 nan 8.190 nan 0.000 0.452 186 V N -0.947 118.841 119.914 -0.209 0.000 2.488 186 V HA -0.141 3.979 4.120 0.000 0.000 0.246 186 V C 2.026 177.929 176.094 -0.317 0.000 1.046 186 V CA 1.990 64.155 62.300 -0.226 0.000 1.053 186 V CB -0.330 31.347 31.823 -0.243 0.000 0.679 186 V HN 0.466 nan 8.190 nan 0.000 0.458 187 M N -1.403 117.962 119.600 -0.392 0.000 2.367 187 M HA 0.359 4.839 4.480 0.000 0.000 0.256 187 M C 1.444 177.628 176.300 -0.195 0.000 1.091 187 M CA 0.743 55.742 55.300 -0.501 0.000 1.049 187 M CB 0.549 32.774 32.600 -0.626 0.000 1.406 187 M HN 0.456 nan 8.290 nan 0.000 0.498 188 G N 1.597 110.314 108.800 -0.139 0.000 2.614 188 G HA2 -0.397 3.563 3.960 0.000 0.000 0.303 188 G HA3 -0.397 3.563 3.960 0.000 0.000 0.303 188 G C 0.814 175.669 174.900 -0.074 0.000 1.270 188 G CA 0.848 45.904 45.100 -0.072 0.000 0.988 188 G HN 0.527 nan 8.290 nan 0.000 0.551 189 S N -0.692 114.977 115.700 -0.052 0.000 2.469 189 S HA 0.017 4.487 4.470 0.000 0.000 0.238 189 S C 2.211 176.676 174.600 -0.224 0.000 0.998 189 S CA 2.033 60.138 58.200 -0.158 0.000 0.957 189 S CB -0.193 62.949 63.200 -0.096 0.000 0.764 189 S HN 1.084 nan 8.310 nan 0.000 0.514 190 S N 0.157 115.854 115.700 -0.006 0.000 2.481 190 S HA 0.095 4.565 4.470 0.000 0.000 0.231 190 S C 0.275 174.900 174.600 0.042 0.000 0.996 190 S CA -0.031 58.232 58.200 0.104 0.000 0.942 190 S CB -0.438 62.927 63.200 0.276 0.000 0.768 190 S HN 0.693 nan 8.310 nan 0.000 0.520 191 Y N 3.199 123.378 120.300 -0.203 0.000 2.584 191 Y HA 0.434 4.984 4.550 0.000 0.000 0.351 191 Y C 1.278 176.969 175.900 -0.349 0.000 1.030 191 Y CA -1.430 56.514 58.100 -0.259 0.000 1.332 191 Y CB -0.072 38.231 38.460 -0.263 0.000 1.148 191 Y HN 0.064 nan 8.280 nan 0.000 0.528 192 G N 4.381 112.765 108.800 -0.692 0.000 2.443 192 G HA2 -0.250 3.711 3.960 0.000 0.000 0.219 192 G HA3 -0.250 3.711 3.960 0.000 0.000 0.219 192 G C 1.040 175.441 174.900 -0.831 0.000 1.131 192 G CA 0.240 44.968 45.100 -0.621 0.000 0.775 192 G HN 0.631 nan 8.290 nan 0.000 0.547 193 F N 1.294 120.537 119.950 -1.179 0.000 2.748 193 F HA 0.055 4.582 4.527 -0.000 0.000 0.299 193 F C 2.805 178.354 175.800 -0.419 0.000 1.154 193 F CA 0.709 58.127 58.000 -0.971 0.000 1.446 193 F CB -0.102 38.296 39.000 -1.003 0.000 1.112 193 F HN 0.366 nan 8.300 nan 0.000 0.584 194 Q N -0.640 118.891 119.800 -0.449 0.000 2.436 194 Q HA -0.113 4.227 4.340 0.000 0.000 0.209 194 Q C -0.575 175.299 176.000 -0.210 0.000 0.965 194 Q CA 0.888 56.525 55.803 -0.276 0.000 0.910 194 Q CB -0.349 28.126 28.738 -0.439 0.000 0.980 194 Q HN 0.281 nan 8.270 nan 0.000 0.491 195 Y N 1.829 122.159 120.300 0.050 0.000 2.342 195 Y HA 0.300 4.850 4.550 0.000 0.000 0.334 195 Y C 0.585 176.369 175.900 -0.194 0.000 1.067 195 Y CA -1.454 56.617 58.100 -0.048 0.000 1.128 195 Y CB 1.497 39.890 38.460 -0.112 0.000 1.200 195 Y HN 0.109 nan 8.280 nan 0.000 0.464 196 S N 2.879 118.337 115.700 -0.405 0.000 2.596 196 S HA 0.188 4.659 4.470 0.000 0.000 0.260 196 S C -1.972 172.316 174.600 -0.521 0.000 1.336 196 S CA -0.941 56.562 58.200 -1.163 0.000 0.993 196 S CB 1.073 63.723 63.200 -0.917 0.000 0.923 196 S HN 0.438 nan 8.310 nan 0.000 0.567 197 P HA 0.048 nan 4.420 nan 0.000 0.217 197 P C 1.707 178.927 177.300 -0.133 0.000 1.150 197 P CA 1.566 64.539 63.100 -0.211 0.000 0.832 197 P CB -0.530 31.086 31.700 -0.141 0.000 0.787 198 G N -0.103 108.595 108.800 -0.171 0.000 2.418 198 G HA2 -0.272 3.688 3.960 0.000 0.000 0.217 198 G HA3 -0.272 3.688 3.960 0.000 0.000 0.217 198 G C 1.542 176.382 174.900 -0.101 0.000 1.158 198 G CA 0.607 45.654 45.100 -0.087 0.000 0.771 198 G HN 0.296 nan 8.290 nan 0.000 0.545 199 Q N -0.489 119.230 119.800 -0.134 0.000 2.124 199 Q HA -0.015 4.325 4.340 0.000 0.000 0.202 199 Q C 2.612 178.442 176.000 -0.282 0.000 0.977 199 Q CA 0.966 56.697 55.803 -0.119 0.000 0.850 199 Q CB -0.162 28.595 28.738 0.031 0.000 0.901 199 Q HN 0.430 nan 8.270 nan 0.000 0.429 200 R N 0.382 120.742 120.500 -0.233 0.000 2.081 200 R HA -0.145 4.195 4.340 0.000 0.000 0.235 200 R C 2.088 178.281 176.300 -0.178 0.000 1.131 200 R CA 1.241 57.185 56.100 -0.260 0.000 0.960 200 R CB -0.132 30.122 30.300 -0.076 0.000 0.856 200 R HN 0.117 nan 8.270 nan 0.000 0.436 201 V N 1.269 121.106 119.914 -0.128 0.000 2.295 201 V HA -0.252 3.868 4.120 0.000 0.000 0.246 201 V C 2.369 178.378 176.094 -0.142 0.000 1.049 201 V CA 2.264 64.493 62.300 -0.118 0.000 1.024 201 V CB -0.590 31.203 31.823 -0.050 0.000 0.648 201 V HN 0.503 nan 8.190 nan 0.000 0.447 202 E N -0.376 119.759 120.200 -0.110 0.000 2.085 202 E HA -0.291 4.059 4.350 0.000 0.000 0.194 202 E C 2.130 178.674 176.600 -0.093 0.000 0.994 202 E CA 1.844 58.192 56.400 -0.087 0.000 0.801 202 E CB -0.260 29.409 29.700 -0.053 0.000 0.743 202 E HN 0.525 nan 8.360 nan 0.000 0.453 203 F N 1.267 121.030 119.950 -0.312 0.000 2.075 203 F HA -0.143 4.384 4.527 -0.000 0.000 0.297 203 F C 1.951 177.623 175.800 -0.212 0.000 1.113 203 F CA 1.421 59.231 58.000 -0.316 0.000 1.218 203 F CB -0.414 38.231 39.000 -0.592 0.000 0.984 203 F HN 0.013 nan 8.300 nan 0.000 0.472 204 L N -0.660 120.371 121.223 -0.319 0.000 2.012 204 L HA -0.271 4.069 4.340 0.000 0.000 0.210 204 L C 2.416 179.108 176.870 -0.298 0.000 1.073 204 L CA 1.399 56.030 54.840 -0.348 0.000 0.748 204 L CB -1.041 40.873 42.059 -0.242 0.000 0.891 204 L HN 0.022 nan 8.230 nan 0.000 0.431 205 V N 0.069 119.806 119.914 -0.296 0.000 2.261 205 V HA -0.285 3.835 4.120 0.000 0.000 0.246 205 V C 2.267 178.260 176.094 -0.168 0.000 1.047 205 V CA 2.005 64.124 62.300 -0.302 0.000 1.015 205 V CB -0.712 30.828 31.823 -0.471 0.000 0.642 205 V HN 0.484 nan 8.190 nan 0.000 0.446 206 N N 0.147 118.746 118.700 -0.168 0.000 2.104 206 N HA -0.154 4.586 4.740 0.000 0.000 0.190 206 N C 1.906 177.327 175.510 -0.149 0.000 1.024 206 N CA 2.059 55.038 53.050 -0.118 0.000 0.853 206 N CB -0.826 37.616 38.487 -0.076 0.000 1.008 206 N HN 0.473 nan 8.380 nan 0.000 0.424 207 T N 0.595 114.976 114.554 -0.289 0.000 2.684 207 T HA -0.163 4.187 4.350 0.000 0.000 0.267 207 T C 1.500 176.119 174.700 -0.134 0.000 1.036 207 T CA 0.806 62.719 62.100 -0.312 0.000 1.148 207 T CB -0.302 68.201 68.868 -0.607 0.000 0.863 207 T HN 0.433 nan 8.240 nan 0.000 0.436 208 W N 2.224 123.357 121.300 -0.277 0.000 2.338 208 W HA -0.102 4.558 4.660 0.000 0.000 0.304 208 W C 1.788 178.220 176.519 -0.145 0.000 1.212 208 W CA 1.197 58.421 57.345 -0.201 0.000 1.264 208 W CB -0.137 29.195 29.460 -0.214 0.000 1.142 208 W HN 0.275 nan 8.180 nan 0.000 0.512 209 K N 0.167 120.578 120.400 0.018 0.000 2.365 209 K HA -0.108 4.212 4.320 0.000 0.000 0.199 209 K C 2.048 178.595 176.600 -0.088 0.000 1.045 209 K CA 1.431 57.697 56.287 -0.036 0.000 0.962 209 K CB -0.268 32.235 32.500 0.004 0.000 0.759 209 K HN 0.036 nan 8.250 nan 0.000 0.469 210 S N 0.569 116.207 115.700 -0.104 0.000 2.561 210 S HA 0.015 4.486 4.470 0.000 0.000 0.225 210 S C 0.473 175.000 174.600 -0.122 0.000 0.977 210 S CA 0.198 58.341 58.200 -0.096 0.000 0.926 210 S CB 0.047 63.197 63.200 -0.084 0.000 0.769 210 S HN -0.036 nan 8.310 nan 0.000 0.533 211 K N 1.721 122.008 120.400 -0.189 0.000 2.130 211 K HA 0.400 4.720 4.320 0.000 0.000 0.268 211 K C 0.446 176.930 176.600 -0.193 0.000 0.983 211 K CA -0.452 55.708 56.287 -0.211 0.000 0.893 211 K CB 1.359 33.669 32.500 -0.317 0.000 1.066 211 K HN 0.099 nan 8.250 nan 0.000 0.450 212 K N 1.271 121.587 120.400 -0.140 0.000 1.985 212 K HA -0.140 4.180 4.320 0.000 0.000 0.210 212 K C -0.047 176.471 176.600 -0.135 0.000 1.047 212 K CA 1.574 57.794 56.287 -0.112 0.000 0.932 212 K CB -0.030 32.424 32.500 -0.078 0.000 0.716 212 K HN 0.483 nan 8.250 nan 0.000 0.439 213 N N 1.038 119.649 118.700 -0.149 0.000 2.682 213 N HA 0.188 4.928 4.740 0.000 0.000 0.252 213 N C -2.853 172.520 175.510 -0.228 0.000 1.081 213 N CA -1.439 51.520 53.050 -0.152 0.000 0.844 213 N CB 1.570 40.006 38.487 -0.084 0.000 1.167 213 N HN -0.007 nan 8.380 nan 0.000 0.523 214 P HA 0.113 nan 4.420 nan 0.000 0.275 214 P C -0.752 176.227 177.300 -0.534 0.000 1.227 214 P CA -0.271 62.347 63.100 -0.803 0.000 0.781 214 P CB 1.027 31.569 31.700 -1.929 0.000 0.906 215 M N 2.352 121.727 119.600 -0.376 0.000 2.446 215 M HA 0.650 5.130 4.480 0.000 0.000 0.294 215 M C -1.143 175.130 176.300 -0.045 0.000 1.158 215 M CA -0.321 54.871 55.300 -0.180 0.000 0.899 215 M CB 2.477 35.030 32.600 -0.079 0.000 1.687 215 M HN 0.565 nan 8.290 nan 0.000 0.455 216 G N 3.525 112.401 108.800 0.126 0.000 2.642 216 G HA2 0.850 4.810 3.960 0.000 0.000 0.293 216 G HA3 0.850 4.810 3.960 0.000 0.000 0.293 216 G C -2.013 172.971 174.900 0.140 0.000 1.341 216 G CA -0.627 44.548 45.100 0.125 0.000 0.916 216 G HN 0.779 nan 8.290 nan 0.000 0.474 217 F N -0.457 119.446 119.950 -0.077 0.000 2.641 217 F HA 0.756 5.283 4.527 -0.000 0.000 0.308 217 F C -0.081 175.695 175.800 -0.039 0.000 1.105 217 F CA -1.509 56.445 58.000 -0.078 0.000 0.964 217 F CB 1.238 40.175 39.000 -0.105 0.000 1.294 217 F HN 0.620 nan 8.300 nan 0.000 0.442 218 S N 1.348 117.114 115.700 0.110 0.000 2.610 218 S HA 0.579 5.049 4.470 0.000 0.000 0.273 218 S C -1.400 173.382 174.600 0.303 0.000 1.274 218 S CA -0.497 57.759 58.200 0.093 0.000 1.023 218 S CB 1.419 64.652 63.200 0.055 0.000 0.962 218 S HN 0.842 nan 8.310 nan 0.000 0.523 219 Y N 1.102 121.497 120.300 0.159 0.000 2.332 219 Y HA 0.408 4.958 4.550 0.000 0.000 0.326 219 Y C -1.048 174.969 175.900 0.196 0.000 0.978 219 Y CA -0.906 57.350 58.100 0.261 0.000 1.205 219 Y CB 1.382 40.092 38.460 0.418 0.000 1.131 219 Y HN 0.870 nan 8.280 nan 0.000 0.462 220 D N 4.448 124.705 120.400 -0.237 0.000 2.396 220 D HA 0.214 4.854 4.640 0.000 0.000 0.225 220 D C -0.652 175.504 176.300 -0.241 0.000 1.121 220 D CA -0.057 53.862 54.000 -0.135 0.000 0.853 220 D CB 0.927 41.679 40.800 -0.079 0.000 1.043 220 D HN 0.456 nan 8.370 nan 0.000 0.500 221 T N 3.712 118.303 114.554 0.062 0.000 2.870 221 T HA 0.089 4.439 4.350 0.000 0.000 0.300 221 T C 0.485 175.278 174.700 0.155 0.000 0.989 221 T CA -0.379 61.843 62.100 0.202 0.000 1.139 221 T CB 0.608 69.820 68.868 0.574 0.000 0.920 221 T HN 0.333 nan 8.240 nan 0.000 0.537 222 R N 2.255 122.807 120.500 0.086 0.000 2.370 222 R HA 0.169 4.510 4.340 0.000 0.000 0.309 222 R C -0.257 176.146 176.300 0.172 0.000 1.059 222 R CA -0.367 55.779 56.100 0.077 0.000 0.981 222 R CB -0.517 29.773 30.300 -0.016 0.000 0.972 222 R HN 0.918 nan 8.270 nan 0.000 0.437 223 C N 5.648 125.078 119.300 0.218 0.000 3.268 223 C HA -0.161 4.299 4.460 0.000 0.000 0.277 223 C C 1.265 176.460 174.990 0.341 0.000 1.259 223 C CA 0.164 59.361 59.018 0.298 0.000 2.353 223 C CB -2.964 25.005 27.740 0.382 0.000 1.482 223 C HN 1.034 nan 8.230 nan 0.000 0.513 224 F N 1.655 121.722 119.950 0.195 0.000 2.091 224 F HA -0.171 4.356 4.527 -0.000 0.000 0.299 224 F C 1.965 177.873 175.800 0.180 0.000 1.103 224 F CA 2.357 60.471 58.000 0.190 0.000 1.228 224 F CB 0.019 39.120 39.000 0.169 0.000 0.984 224 F HN 0.471 nan 8.300 nan 0.000 0.477 225 D N -0.366 120.262 120.400 0.379 0.000 2.123 225 D HA -0.175 4.465 4.640 0.000 0.000 0.196 225 D C 2.482 178.840 176.300 0.097 0.000 0.992 225 D CA 1.639 55.791 54.000 0.253 0.000 0.833 225 D CB -0.542 40.413 40.800 0.259 0.000 0.954 225 D HN 0.227 nan 8.370 nan 0.000 0.455 226 S N -0.507 115.266 115.700 0.122 0.000 2.399 226 S HA -0.133 4.337 4.470 0.000 0.000 0.231 226 S C 2.059 176.589 174.600 -0.117 0.000 1.022 226 S CA 1.587 59.757 58.200 -0.049 0.000 0.983 226 S CB -0.332 62.861 63.200 -0.012 0.000 0.803 226 S HN 0.554 nan 8.310 nan 0.000 0.480 227 T N -0.331 114.244 114.554 0.035 0.000 3.055 227 T HA 0.094 4.445 4.350 0.000 0.000 0.265 227 T C 0.652 175.268 174.700 -0.139 0.000 1.111 227 T CA 0.110 62.216 62.100 0.010 0.000 1.118 227 T CB -0.475 68.370 68.868 -0.040 0.000 0.909 227 T HN 0.049 nan 8.240 nan 0.000 0.501 228 V N 4.071 123.868 119.914 -0.194 0.000 2.450 228 V HA 0.279 4.399 4.120 0.000 0.000 0.281 228 V C 1.177 177.212 176.094 -0.098 0.000 1.019 228 V CA -0.146 62.067 62.300 -0.145 0.000 1.062 228 V CB -0.138 31.642 31.823 -0.071 0.000 0.979 228 V HN 0.723 nan 8.190 nan 0.000 0.477 229 T N 0.826 115.338 114.554 -0.070 0.000 2.881 229 T HA 0.297 4.647 4.350 0.000 0.000 0.278 229 T C 1.085 175.762 174.700 -0.038 0.000 0.982 229 T CA -0.238 61.826 62.100 -0.060 0.000 0.989 229 T CB 1.453 70.294 68.868 -0.046 0.000 1.058 229 T HN 0.704 nan 8.240 nan 0.000 0.529 230 E N 0.678 120.857 120.200 -0.035 0.000 2.097 230 E HA -0.329 4.021 4.350 0.000 0.000 0.196 230 E C 1.938 178.537 176.600 -0.002 0.000 1.000 230 E CA 1.923 58.316 56.400 -0.012 0.000 0.804 230 E CB -0.285 29.408 29.700 -0.012 0.000 0.740 230 E HN 0.790 nan 8.360 nan 0.000 0.454 231 N N 0.583 119.278 118.700 -0.008 0.000 2.061 231 N HA -0.215 4.525 4.740 0.000 0.000 0.193 231 N C 1.492 177.015 175.510 0.021 0.000 1.030 231 N CA 2.217 55.268 53.050 0.002 0.000 0.856 231 N CB -0.174 38.304 38.487 -0.016 0.000 1.023 231 N HN 0.160 nan 8.380 nan 0.000 0.424 232 D N -0.110 120.300 120.400 0.018 0.000 2.123 232 D HA -0.122 4.518 4.640 0.000 0.000 0.196 232 D C 1.944 178.254 176.300 0.017 0.000 0.992 232 D CA 1.064 55.086 54.000 0.037 0.000 0.833 232 D CB -0.239 40.576 40.800 0.024 0.000 0.954 232 D HN 0.478 nan 8.370 nan 0.000 0.455 233 I N 0.410 120.990 120.570 0.016 0.000 2.439 233 I HA -0.133 4.037 4.170 0.000 0.000 0.251 233 I C 2.437 178.565 176.117 0.019 0.000 1.139 233 I CA 0.656 61.972 61.300 0.025 0.000 1.438 233 I CB -0.019 38.017 38.000 0.059 0.000 1.085 233 I HN -0.129 nan 8.210 nan 0.000 0.427 234 R N 0.149 120.659 120.500 0.017 0.000 2.075 234 R HA -0.078 4.262 4.340 0.000 0.000 0.232 234 R C 2.344 178.631 176.300 -0.022 0.000 1.126 234 R CA 1.064 57.170 56.100 0.010 0.000 0.963 234 R CB -0.464 29.844 30.300 0.014 0.000 0.858 234 R HN 0.187 nan 8.270 nan 0.000 0.435 235 V N 1.574 121.476 119.914 -0.020 0.000 2.343 235 V HA -0.252 3.868 4.120 0.000 0.000 0.247 235 V C 1.969 177.979 176.094 -0.141 0.000 1.051 235 V CA 1.862 64.136 62.300 -0.044 0.000 1.036 235 V CB -0.413 31.420 31.823 0.016 0.000 0.654 235 V HN 0.353 nan 8.190 nan 0.000 0.451 236 E N -0.337 119.750 120.200 -0.188 0.000 2.058 236 E HA -0.264 4.086 4.350 0.000 0.000 0.194 236 E C 2.353 178.529 176.600 -0.706 0.000 0.997 236 E CA 1.407 57.549 56.400 -0.429 0.000 0.801 236 E CB -0.200 29.285 29.700 -0.358 0.000 0.746 236 E HN 0.611 nan 8.360 nan 0.000 0.450 237 E N 0.646 120.642 120.200 -0.340 0.000 2.118 237 E HA -0.206 4.144 4.350 0.000 0.000 0.195 237 E C 2.137 178.682 176.600 -0.092 0.000 0.992 237 E CA 1.543 57.871 56.400 -0.120 0.000 0.804 237 E CB 0.016 29.766 29.700 0.083 0.000 0.741 237 E HN 0.237 nan 8.360 nan 0.000 0.458 238 S N 0.343 115.983 115.700 -0.101 0.000 2.399 238 S HA -0.147 4.323 4.470 0.000 0.000 0.231 238 S C 2.089 176.644 174.600 -0.075 0.000 1.022 238 S CA 1.007 59.173 58.200 -0.057 0.000 0.983 238 S CB -0.566 62.606 63.200 -0.045 0.000 0.803 238 S HN 0.288 nan 8.310 nan 0.000 0.480 239 I N 0.242 120.712 120.570 -0.166 0.000 2.163 239 I HA -0.154 4.016 4.170 0.000 0.000 0.240 239 I C 2.394 178.496 176.117 -0.024 0.000 1.081 239 I CA 1.440 62.655 61.300 -0.141 0.000 1.353 239 I CB -0.628 37.243 38.000 -0.213 0.000 1.054 239 I HN 0.204 nan 8.210 nan 0.000 0.407 240 Y N 1.166 121.458 120.300 -0.014 0.000 2.193 240 Y HA -0.257 4.293 4.550 0.000 0.000 0.285 240 Y C 2.661 178.562 175.900 0.002 0.000 1.166 240 Y CA 0.858 58.955 58.100 -0.006 0.000 1.181 240 Y CB -1.046 37.424 38.460 0.018 0.000 0.976 240 Y HN 0.287 nan 8.280 nan 0.000 0.520 241 Q N -1.485 118.408 119.800 0.155 0.000 2.435 241 Q HA -0.079 4.261 4.340 0.000 0.000 0.207 241 Q C 2.283 178.315 176.000 0.053 0.000 0.956 241 Q CA 0.803 56.661 55.803 0.092 0.000 0.917 241 Q CB -0.667 28.111 28.738 0.066 0.000 0.997 241 Q HN 0.516 nan 8.270 nan 0.000 0.497 242 C N 0.308 119.631 119.300 0.039 0.000 2.432 242 C HA -0.027 4.433 4.460 0.000 0.000 0.282 242 C C 1.572 176.576 174.990 0.023 0.000 1.388 242 C CA -0.706 58.324 59.018 0.020 0.000 1.777 242 C CB -0.799 26.942 27.740 0.002 0.000 1.882 242 C HN 0.396 nan 8.230 nan 0.000 0.520 243 C N 1.925 121.248 119.300 0.039 0.000 2.703 243 C HA 0.097 4.557 4.460 0.000 0.000 0.411 243 C C 0.649 175.655 174.990 0.026 0.000 1.290 243 C CA -0.180 58.856 59.018 0.030 0.000 2.054 243 C CB -0.261 27.502 27.740 0.039 0.000 2.732 243 C HN 0.494 nan 8.230 nan 0.000 0.650 244 D N 2.040 122.451 120.400 0.018 0.000 2.344 244 D HA 0.387 5.027 4.640 0.000 0.000 0.253 244 D C -0.575 175.739 176.300 0.024 0.000 1.255 244 D CA 0.442 54.453 54.000 0.018 0.000 0.894 244 D CB -0.082 40.725 40.800 0.012 0.000 1.067 244 D HN 0.370 nan 8.370 nan 0.000 0.492 245 L N 1.993 123.234 121.223 0.031 0.000 2.354 245 L HA 0.639 4.979 4.340 0.000 0.000 0.264 245 L C 0.383 177.279 176.870 0.043 0.000 1.008 245 L CA -1.478 53.386 54.840 0.041 0.000 0.819 245 L CB 1.811 43.900 42.059 0.051 0.000 1.339 245 L HN 0.273 nan 8.230 nan 0.000 0.420 246 A N 1.895 124.746 122.820 0.052 0.000 2.511 246 A HA 0.324 4.644 4.320 0.000 0.000 0.242 246 A C -1.762 175.860 177.584 0.063 0.000 1.069 246 A CA -0.839 51.232 52.037 0.057 0.000 0.763 246 A CB -0.149 18.892 19.000 0.069 0.000 1.001 246 A HN 0.635 nan 8.150 nan 0.000 0.498 247 P HA -0.196 nan 4.420 nan 0.000 0.217 247 P C 1.248 178.579 177.300 0.052 0.000 1.148 247 P CA 1.691 64.817 63.100 0.043 0.000 0.828 247 P CB 0.256 31.977 31.700 0.034 0.000 0.783 248 E N -0.567 119.687 120.200 0.090 0.000 2.106 248 E HA -0.149 4.201 4.350 0.000 0.000 0.192 248 E C 1.959 178.650 176.600 0.153 0.000 0.984 248 E CA 1.005 57.485 56.400 0.133 0.000 0.806 248 E CB -0.437 29.409 29.700 0.245 0.000 0.750 248 E HN 0.080 nan 8.360 nan 0.000 0.458 249 A N 1.258 124.184 122.820 0.176 0.000 1.902 249 A HA -0.168 4.152 4.320 0.000 0.000 0.217 249 A C 2.120 179.753 177.584 0.082 0.000 1.181 249 A CA 1.311 53.452 52.037 0.173 0.000 0.623 249 A CB -0.426 18.662 19.000 0.146 0.000 0.818 249 A HN 0.158 nan 8.150 nan 0.000 0.443 250 R N -1.061 119.473 120.500 0.058 0.000 2.091 250 R HA -0.210 4.130 4.340 0.000 0.000 0.238 250 R C 2.501 178.802 176.300 0.002 0.000 1.136 250 R CA 1.817 57.939 56.100 0.037 0.000 0.959 250 R CB -0.271 30.048 30.300 0.032 0.000 0.856 250 R HN 0.662 nan 8.270 nan 0.000 0.437 251 Q N 0.584 120.365 119.800 -0.032 0.000 2.046 251 Q HA -0.050 4.290 4.340 0.000 0.000 0.200 251 Q C 1.943 177.847 176.000 -0.161 0.000 0.975 251 Q CA 1.938 57.688 55.803 -0.088 0.000 0.836 251 Q CB -0.249 28.428 28.738 -0.103 0.000 0.896 251 Q HN 0.310 nan 8.270 nan 0.000 0.428 252 A N 0.247 122.922 122.820 -0.243 0.000 1.940 252 A HA -0.148 4.172 4.320 0.000 0.000 0.219 252 A C 2.138 179.621 177.584 -0.168 0.000 1.176 252 A CA 1.580 53.396 52.037 -0.369 0.000 0.631 252 A CB -0.763 17.865 19.000 -0.621 0.000 0.814 252 A HN 0.490 nan 8.150 nan 0.000 0.446 253 I N -0.632 119.911 120.570 -0.045 0.000 2.202 253 I HA -0.242 3.928 4.170 0.000 0.000 0.242 253 I C 2.527 178.673 176.117 0.048 0.000 1.091 253 I CA 1.773 63.104 61.300 0.051 0.000 1.368 253 I CB -0.246 37.819 38.000 0.108 0.000 1.058 253 I HN 0.379 nan 8.210 nan 0.000 0.410 254 K N 0.589 120.998 120.400 0.014 0.000 2.063 254 K HA -0.228 4.092 4.320 0.000 0.000 0.208 254 K C 2.355 178.928 176.600 -0.045 0.000 1.048 254 K CA 1.935 58.224 56.287 0.003 0.000 0.928 254 K CB -0.129 32.365 32.500 -0.010 0.000 0.713 254 K HN 0.129 nan 8.250 nan 0.000 0.442 255 S N 0.706 116.346 115.700 -0.100 0.000 2.348 255 S HA -0.096 4.374 4.470 0.000 0.000 0.221 255 S C 1.968 176.462 174.600 -0.178 0.000 1.033 255 S CA 1.241 59.357 58.200 -0.140 0.000 1.010 255 S CB -0.274 62.809 63.200 -0.194 0.000 0.891 255 S HN 0.358 nan 8.310 nan 0.000 0.442 256 L N 0.747 121.828 121.223 -0.236 0.000 2.079 256 L HA -0.120 4.220 4.340 0.000 0.000 0.210 256 L C 2.739 179.286 176.870 -0.539 0.000 1.081 256 L CA 1.549 56.115 54.840 -0.456 0.000 0.752 256 L CB -1.020 40.705 42.059 -0.558 0.000 0.896 256 L HN 0.352 nan 8.230 nan 0.000 0.433 257 T N -0.986 113.458 114.554 -0.183 0.000 2.674 257 T HA -0.161 4.189 4.350 0.000 0.000 0.265 257 T C 1.796 176.495 174.700 -0.001 0.000 1.039 257 T CA 1.247 63.378 62.100 0.053 0.000 1.150 257 T CB -0.122 68.848 68.868 0.170 0.000 0.864 257 T HN 0.290 nan 8.240 nan 0.000 0.427 258 E N 1.044 121.226 120.200 -0.030 0.000 2.110 258 E HA -0.046 4.304 4.350 0.000 0.000 0.193 258 E C 2.378 178.957 176.600 -0.035 0.000 0.988 258 E CA 1.043 57.431 56.400 -0.020 0.000 0.804 258 E CB -0.140 29.544 29.700 -0.027 0.000 0.745 258 E HN 0.467 nan 8.360 nan 0.000 0.458 259 R N -0.636 119.814 120.500 -0.083 0.000 2.156 259 R HA 0.100 4.440 4.340 0.000 0.000 0.207 259 R C 1.981 178.222 176.300 -0.099 0.000 1.040 259 R CA 0.322 56.373 56.100 -0.081 0.000 1.013 259 R CB 0.175 30.415 30.300 -0.100 0.000 0.931 259 R HN 0.042 nan 8.270 nan 0.000 0.465 260 L N -1.813 119.307 121.223 -0.171 0.000 2.588 260 L HA 0.187 4.528 4.340 0.000 0.000 0.194 260 L C 1.371 178.235 176.870 -0.009 0.000 1.070 260 L CA 0.976 55.721 54.840 -0.158 0.000 0.852 260 L CB -0.236 41.641 42.059 -0.303 0.000 1.199 260 L HN -0.094 nan 8.230 nan 0.000 0.486 261 Y N 0.165 120.477 120.300 0.021 0.000 2.220 261 Y HA -0.001 4.548 4.550 -0.000 0.000 0.291 261 Y C 2.523 178.429 175.900 0.010 0.000 1.129 261 Y CA 1.199 59.320 58.100 0.035 0.000 1.161 261 Y CB -0.837 37.667 38.460 0.074 0.000 0.997 261 Y HN 0.108 nan 8.280 nan 0.000 0.522 262 I N -0.917 119.739 120.570 0.143 0.000 2.394 262 I HA -0.035 4.135 4.170 0.000 0.000 0.251 262 I C 1.236 177.361 176.117 0.014 0.000 1.136 262 I CA 1.316 62.657 61.300 0.067 0.000 1.425 262 I CB -0.314 37.718 38.000 0.052 0.000 1.079 262 I HN 0.294 nan 8.210 nan 0.000 0.425 263 G N -1.074 107.717 108.800 -0.016 0.000 2.327 263 G HA2 0.483 4.443 3.960 0.000 0.000 0.291 263 G HA3 0.483 4.443 3.960 0.000 0.000 0.291 263 G C -1.003 173.748 174.900 -0.248 0.000 1.290 263 G CA -0.182 44.839 45.100 -0.131 0.000 0.857 263 G HN 0.406 nan 8.290 nan 0.000 0.520 264 G N -0.982 107.396 108.800 -0.703 0.000 2.328 264 G HA2 0.683 4.644 3.960 0.000 0.000 0.299 264 G HA3 0.683 4.644 3.960 0.000 0.000 0.299 264 G C -3.479 170.757 174.900 -1.107 0.000 1.435 264 G CA 0.092 44.732 45.100 -0.766 0.000 0.865 264 G HN 0.764 nan 8.290 nan 0.000 0.601 265 P HA 0.465 nan 4.420 nan 0.000 0.272 265 P C -0.575 176.637 177.300 -0.147 0.000 1.223 265 P CA -0.146 62.836 63.100 -0.197 0.000 0.784 265 P CB 1.155 32.879 31.700 0.040 0.000 0.923 266 L N 2.030 123.220 121.223 -0.054 0.000 2.333 266 L HA 0.449 4.789 4.340 0.000 0.000 0.280 266 L C 0.338 177.224 176.870 0.026 0.000 1.004 266 L CA -0.234 54.600 54.840 -0.009 0.000 0.820 266 L CB 1.840 43.938 42.059 0.065 0.000 1.247 266 L HN 0.259 nan 8.230 nan 0.000 0.416 267 T N 1.389 115.934 114.554 -0.016 0.000 2.829 267 T HA 0.338 4.688 4.350 0.000 0.000 0.280 267 T C -0.173 174.511 174.700 -0.025 0.000 0.999 267 T CA -0.827 61.264 62.100 -0.015 0.000 0.983 267 T CB 1.453 70.295 68.868 -0.043 0.000 0.968 267 T HN 0.639 nan 8.240 nan 0.000 0.446 268 N N 0.733 119.433 118.700 -0.000 0.000 2.364 268 N HA 0.099 4.839 4.740 0.000 0.000 0.264 268 N C 1.349 176.849 175.510 -0.016 0.000 1.263 268 N CA -0.385 52.663 53.050 -0.002 0.000 0.959 268 N CB 0.117 38.611 38.487 0.011 0.000 1.204 268 N HN 0.452 nan 8.380 nan 0.000 0.550 269 S N -1.419 114.280 115.700 -0.002 0.000 2.500 269 S HA -0.082 4.388 4.470 0.000 0.000 0.239 269 S C 0.875 175.470 174.600 -0.008 0.000 0.989 269 S CA 0.681 58.882 58.200 0.002 0.000 0.951 269 S CB -0.428 62.787 63.200 0.025 0.000 0.759 269 S HN 0.648 nan 8.310 nan 0.000 0.523 270 K N 0.489 120.885 120.400 -0.008 0.000 2.372 270 K HA 0.300 4.620 4.320 0.000 0.000 0.200 270 K C 1.104 177.695 176.600 -0.015 0.000 1.022 270 K CA 0.332 56.614 56.287 -0.009 0.000 1.125 270 K CB 0.257 32.756 32.500 -0.002 0.000 0.855 270 K HN 0.488 nan 8.250 nan 0.000 0.524 271 G N 1.953 110.740 108.800 -0.021 0.000 2.143 271 G HA2 -0.295 3.665 3.960 0.000 0.000 0.249 271 G HA3 -0.295 3.665 3.960 0.000 0.000 0.249 271 G C -0.196 174.699 174.900 -0.008 0.000 0.981 271 G CA -0.003 45.083 45.100 -0.024 0.000 0.665 271 G HN 0.357 nan 8.290 nan 0.000 0.528 272 Q N 0.057 119.859 119.800 0.002 0.000 2.259 272 Q HA 0.294 4.634 4.340 0.000 0.000 0.249 272 Q C 0.437 176.456 176.000 0.031 0.000 0.914 272 Q CA -0.489 55.325 55.803 0.017 0.000 0.904 272 Q CB 0.925 29.675 28.738 0.020 0.000 1.213 272 Q HN 0.429 nan 8.270 nan 0.000 0.428 273 N N 1.652 120.377 118.700 0.043 0.000 2.431 273 N HA 0.003 4.743 4.740 0.000 0.000 0.265 273 N C -0.173 175.395 175.510 0.097 0.000 1.184 273 N CA -0.423 52.666 53.050 0.065 0.000 0.943 273 N CB 0.509 39.036 38.487 0.066 0.000 1.080 273 N HN 0.601 nan 8.380 nan 0.000 0.477 274 C N 2.945 122.323 119.300 0.132 0.000 2.634 274 C HA 0.396 4.856 4.460 0.000 0.000 0.268 274 C C 1.272 176.461 174.990 0.332 0.000 1.322 274 C CA 0.476 59.628 59.018 0.223 0.000 1.737 274 C CB -1.093 26.798 27.740 0.251 0.000 1.976 274 C HN 0.991 nan 8.230 nan 0.000 0.547 275 G N -1.184 107.741 108.800 0.208 0.000 2.292 275 G HA2 0.195 4.155 3.960 0.000 0.000 0.194 275 G HA3 0.195 4.155 3.960 0.000 0.000 0.194 275 G C -1.923 173.037 174.900 0.099 0.000 1.329 275 G CA -0.390 44.794 45.100 0.140 0.000 1.100 275 G HN 0.067 nan 8.290 nan 0.000 0.470 276 Y N 0.756 120.954 120.300 -0.171 0.000 2.470 276 Y HA 0.746 5.296 4.550 -0.000 0.000 0.341 276 Y C -0.063 175.711 175.900 -0.209 0.000 1.021 276 Y CA -0.794 57.218 58.100 -0.146 0.000 1.025 276 Y CB 1.976 40.361 38.460 -0.124 0.000 1.266 276 Y HN 0.709 nan 8.280 nan 0.000 0.448 277 R N 4.728 124.963 120.500 -0.442 0.000 2.393 277 R HA 0.552 4.892 4.340 0.000 0.000 0.310 277 R C -0.709 175.395 176.300 -0.328 0.000 0.968 277 R CA -0.572 55.284 56.100 -0.406 0.000 0.867 277 R CB 0.903 31.038 30.300 -0.276 0.000 1.124 277 R HN 0.914 nan 8.270 nan 0.000 0.450 278 R N 3.227 123.516 120.500 -0.352 0.000 2.690 278 R HA 0.213 4.553 4.340 0.000 0.000 0.419 278 R C -0.543 175.608 176.300 -0.249 0.000 1.090 278 R CA -0.317 55.666 56.100 -0.196 0.000 1.064 278 R CB 0.436 30.667 30.300 -0.115 0.000 1.391 278 R HN 0.767 nan 8.270 nan 0.000 0.586 279 C N -1.962 117.146 119.300 -0.319 0.000 3.321 279 C HA 0.605 5.066 4.460 0.000 0.000 0.363 279 C C -0.216 174.704 174.990 -0.117 0.000 1.705 279 C CA -1.550 57.324 59.018 -0.241 0.000 1.298 279 C CB 1.232 28.758 27.740 -0.357 0.000 2.086 279 C HN 0.342 nan 8.230 nan 0.000 0.438 280 R N 1.233 121.713 120.500 -0.033 0.000 2.502 280 R HA 0.444 4.784 4.340 0.000 0.000 0.292 280 R C 0.217 176.570 176.300 0.088 0.000 0.998 280 R CA 1.008 57.141 56.100 0.055 0.000 1.056 280 R CB -0.241 30.129 30.300 0.118 0.000 0.939 280 R HN 1.174 nan 8.270 nan 0.000 0.411 281 A N 3.603 126.488 122.820 0.108 0.000 2.401 281 A HA 0.192 4.512 4.320 0.000 0.000 0.259 281 A C 1.075 178.756 177.584 0.162 0.000 1.103 281 A CA 0.197 52.322 52.037 0.148 0.000 0.789 281 A CB 0.386 19.481 19.000 0.159 0.000 1.035 281 A HN 1.017 nan 8.150 nan 0.000 0.491 282 S N 1.952 117.763 115.700 0.184 0.000 2.489 282 S HA 0.086 4.556 4.470 0.000 0.000 0.228 282 S C 1.072 175.767 174.600 0.159 0.000 0.995 282 S CA 0.761 59.064 58.200 0.171 0.000 0.934 282 S CB 0.032 63.339 63.200 0.178 0.000 0.771 282 S HN 1.310 nan 8.310 nan 0.000 0.522 283 G N 1.867 110.784 108.800 0.195 0.000 4.644 283 G HA2 0.524 4.484 3.960 0.000 0.000 0.307 283 G HA3 0.524 4.484 3.960 0.000 0.000 0.307 283 G C -0.198 174.830 174.900 0.212 0.000 1.331 283 G CA -0.031 45.190 45.100 0.201 0.000 1.059 283 G HN 0.648 nan 8.290 nan 0.000 0.590 284 V N -2.325 117.694 119.914 0.175 0.000 3.046 284 V HA 0.612 4.732 4.120 0.000 0.000 0.316 284 V C 1.309 177.475 176.094 0.120 0.000 1.104 284 V CA -0.929 61.488 62.300 0.196 0.000 1.006 284 V CB 1.757 33.759 31.823 0.299 0.000 1.058 284 V HN 0.075 nan 8.190 nan 0.000 0.440 285 L N 2.411 123.719 121.223 0.142 0.000 2.083 285 L HA -0.025 4.315 4.340 0.000 0.000 0.209 285 L C 2.299 179.179 176.870 0.016 0.000 1.083 285 L CA 3.115 58.022 54.840 0.111 0.000 0.752 285 L CB -0.764 41.391 42.059 0.159 0.000 0.899 285 L HN 1.095 nan 8.230 nan 0.000 0.433 286 T N -5.788 108.690 114.554 -0.127 0.000 3.129 286 T HA -0.000 4.350 4.350 0.000 0.000 0.251 286 T C 1.568 176.206 174.700 -0.104 0.000 1.117 286 T CA 0.723 62.706 62.100 -0.195 0.000 1.034 286 T CB -0.746 67.847 68.868 -0.458 0.000 0.968 286 T HN 0.281 nan 8.240 nan 0.000 0.526 287 T N 2.016 116.539 114.554 -0.052 0.000 2.652 287 T HA -0.169 4.181 4.350 0.000 0.000 0.267 287 T C 2.201 176.925 174.700 0.039 0.000 1.039 287 T CA 1.813 63.924 62.100 0.018 0.000 1.153 287 T CB -0.690 68.213 68.868 0.059 0.000 0.863 287 T HN 0.542 nan 8.240 nan 0.000 0.428 288 S N -0.260 115.440 115.700 0.001 0.000 2.348 288 S HA -0.157 4.313 4.470 0.000 0.000 0.221 288 S C 2.451 177.085 174.600 0.057 0.000 1.033 288 S CA 1.489 59.687 58.200 -0.003 0.000 1.010 288 S CB -0.944 62.143 63.200 -0.189 0.000 0.891 288 S HN 0.678 nan 8.310 nan 0.000 0.442 289 C N 1.242 120.546 119.300 0.007 0.000 2.446 289 C HA 0.144 4.604 4.460 0.000 0.000 0.277 289 C C 2.811 177.856 174.990 0.091 0.000 1.275 289 C CA 1.006 60.047 59.018 0.038 0.000 1.727 289 C CB -1.805 25.928 27.740 -0.012 0.000 2.010 289 C HN 0.709 nan 8.230 nan 0.000 0.486 290 G N 0.574 109.433 108.800 0.100 0.000 2.421 290 G HA2 -0.217 3.743 3.960 0.000 0.000 0.216 290 G HA3 -0.217 3.743 3.960 0.000 0.000 0.216 290 G C 1.519 176.502 174.900 0.138 0.000 1.171 290 G CA 1.086 46.246 45.100 0.101 0.000 0.775 290 G HN 0.575 nan 8.290 nan 0.000 0.543 291 N N 0.387 119.184 118.700 0.161 0.000 2.120 291 N HA -0.074 4.666 4.740 0.000 0.000 0.188 291 N C 2.422 177.997 175.510 0.109 0.000 1.024 291 N CA 1.594 54.770 53.050 0.210 0.000 0.852 291 N CB -0.708 37.833 38.487 0.091 0.000 1.003 291 N HN 0.259 nan 8.380 nan 0.000 0.424 292 T N 1.710 116.329 114.554 0.107 0.000 2.674 292 T HA -0.031 4.319 4.350 0.000 0.000 0.265 292 T C 2.136 176.915 174.700 0.131 0.000 1.039 292 T CA 0.762 62.936 62.100 0.123 0.000 1.150 292 T CB -0.373 68.631 68.868 0.226 0.000 0.864 292 T HN 0.123 nan 8.240 nan 0.000 0.427 293 L N 0.685 121.962 121.223 0.089 0.000 1.989 293 L HA -0.152 4.188 4.340 0.000 0.000 0.211 293 L C 2.985 179.938 176.870 0.137 0.000 1.071 293 L CA 1.428 56.304 54.840 0.060 0.000 0.749 293 L CB -1.184 40.862 42.059 -0.021 0.000 0.890 293 L HN 0.289 nan 8.230 nan 0.000 0.431 294 T N -1.363 113.292 114.554 0.168 0.000 2.746 294 T HA -0.242 4.108 4.350 0.000 0.000 0.267 294 T C 2.023 176.916 174.700 0.321 0.000 1.039 294 T CA 1.475 63.710 62.100 0.225 0.000 1.142 294 T CB -0.515 68.519 68.868 0.275 0.000 0.866 294 T HN 0.452 nan 8.240 nan 0.000 0.444 295 C N 0.600 120.140 119.300 0.400 0.000 2.432 295 C HA -0.096 4.364 4.460 0.000 0.000 0.277 295 C C 2.401 177.535 174.990 0.240 0.000 1.249 295 C CA 0.570 59.798 59.018 0.351 0.000 1.725 295 C CB -1.375 26.430 27.740 0.109 0.000 2.028 295 C HN 0.657 nan 8.230 nan 0.000 0.477 296 Y N 0.915 121.268 120.300 0.087 0.000 2.181 296 Y HA -0.122 4.428 4.550 -0.000 0.000 0.288 296 Y C 2.166 178.076 175.900 0.018 0.000 1.146 296 Y CA 2.074 60.204 58.100 0.050 0.000 1.164 296 Y CB -0.569 37.906 38.460 0.025 0.000 0.982 296 Y HN 0.334 nan 8.280 nan 0.000 0.515 297 L N 1.101 122.399 121.223 0.125 0.000 1.989 297 L HA -0.199 4.141 4.340 0.000 0.000 0.211 297 L C 2.138 178.907 176.870 -0.167 0.000 1.071 297 L CA 2.064 56.859 54.840 -0.075 0.000 0.749 297 L CB -0.956 41.028 42.059 -0.126 0.000 0.890 297 L HN 0.151 nan 8.230 nan 0.000 0.431 298 K N -0.508 119.859 120.400 -0.054 0.000 2.057 298 K HA -0.095 4.225 4.320 0.000 0.000 0.207 298 K C 2.084 178.683 176.600 -0.002 0.000 1.049 298 K CA 1.412 57.674 56.287 -0.042 0.000 0.931 298 K CB -0.439 32.135 32.500 0.122 0.000 0.714 298 K HN 0.509 nan 8.250 nan 0.000 0.440 299 A N 0.934 123.749 122.820 -0.007 0.000 1.898 299 A HA -0.139 4.181 4.320 0.000 0.000 0.216 299 A C 2.220 179.810 177.584 0.009 0.000 1.181 299 A CA 1.747 53.799 52.037 0.025 0.000 0.620 299 A CB -0.528 18.557 19.000 0.142 0.000 0.819 299 A HN 0.163 nan 8.150 nan 0.000 0.442 300 S N -0.111 115.481 115.700 -0.179 0.000 2.359 300 S HA -0.085 4.386 4.470 0.000 0.000 0.224 300 S C 2.309 176.845 174.600 -0.107 0.000 1.035 300 S CA 1.322 59.380 58.200 -0.238 0.000 1.018 300 S CB -0.469 62.432 63.200 -0.498 0.000 0.876 300 S HN 0.799 nan 8.310 nan 0.000 0.448 301 A N 1.276 124.051 122.820 -0.076 0.000 1.969 301 A HA 0.183 4.503 4.320 0.000 0.000 0.218 301 A C 2.306 179.954 177.584 0.107 0.000 1.169 301 A CA 1.587 53.650 52.037 0.044 0.000 0.635 301 A CB -0.920 18.116 19.000 0.061 0.000 0.810 301 A HN 0.506 nan 8.150 nan 0.000 0.445 302 A N -0.907 121.969 122.820 0.093 0.000 1.898 302 A HA -0.147 4.173 4.320 0.000 0.000 0.216 302 A C 2.272 179.876 177.584 0.033 0.000 1.181 302 A CA 1.582 53.549 52.037 -0.116 0.000 0.620 302 A CB -1.262 17.297 19.000 -0.735 0.000 0.819 302 A HN 0.587 nan 8.150 nan 0.000 0.442 303 C N -0.732 118.683 119.300 0.191 0.000 2.413 303 C HA -0.114 4.346 4.460 0.000 0.000 0.276 303 C C 2.881 177.885 174.990 0.023 0.000 1.248 303 C CA 1.158 60.310 59.018 0.224 0.000 1.742 303 C CB -1.341 26.487 27.740 0.147 0.000 2.017 303 C HN 0.593 nan 8.230 nan 0.000 0.481 304 R N 1.060 121.483 120.500 -0.129 0.000 2.081 304 R HA -0.086 4.254 4.340 0.000 0.000 0.235 304 R C 2.458 178.497 176.300 -0.435 0.000 1.131 304 R CA 1.561 57.441 56.100 -0.366 0.000 0.960 304 R CB -0.602 29.310 30.300 -0.646 0.000 0.856 304 R HN 0.547 nan 8.270 nan 0.000 0.436 305 A N 1.557 124.181 122.820 -0.327 0.000 1.883 305 A HA -0.150 4.170 4.320 0.000 0.000 0.217 305 A C 2.333 179.909 177.584 -0.013 0.000 1.186 305 A CA 1.884 53.877 52.037 -0.073 0.000 0.624 305 A CB -0.641 18.360 19.000 0.002 0.000 0.822 305 A HN 0.409 nan 8.150 nan 0.000 0.444 306 A N -1.414 121.417 122.820 0.019 0.000 2.168 306 A HA 0.139 4.459 4.320 0.000 0.000 0.215 306 A C 1.089 178.695 177.584 0.036 0.000 1.152 306 A CA 1.078 53.151 52.037 0.060 0.000 0.716 306 A CB -0.458 18.636 19.000 0.157 0.000 0.794 306 A HN 0.545 nan 8.150 nan 0.000 0.465 307 K N -1.113 119.293 120.400 0.009 0.000 3.069 307 K HA -0.167 4.153 4.320 0.000 0.000 0.267 307 K C -0.733 175.877 176.600 0.017 0.000 1.082 307 K CA 0.526 56.816 56.287 0.006 0.000 0.782 307 K CB -2.227 30.282 32.500 0.014 0.000 1.230 307 K HN 0.549 nan 8.250 nan 0.000 0.488 308 L N 1.738 122.981 121.223 0.033 0.000 2.490 308 L HA -0.011 4.330 4.340 0.000 0.000 0.274 308 L C 1.092 177.970 176.870 0.014 0.000 1.201 308 L CA 0.255 55.116 54.840 0.035 0.000 0.869 308 L CB 0.221 42.320 42.059 0.066 0.000 1.123 308 L HN 0.074 nan 8.230 nan 0.000 0.484 309 Q N 2.578 122.380 119.800 0.004 0.000 2.274 309 Q HA 0.079 4.420 4.340 0.000 0.000 0.256 309 Q C -0.205 175.784 176.000 -0.020 0.000 0.927 309 Q CA -0.329 55.469 55.803 -0.008 0.000 0.939 309 Q CB 1.195 29.926 28.738 -0.011 0.000 1.201 309 Q HN 0.522 nan 8.270 nan 0.000 0.426 310 D N 1.031 121.420 120.400 -0.018 0.000 2.697 310 D HA -0.183 4.457 4.640 0.000 0.000 0.238 310 D C -1.009 175.271 176.300 -0.033 0.000 1.152 310 D CA 0.211 54.196 54.000 -0.025 0.000 0.666 310 D CB -0.941 39.836 40.800 -0.037 0.000 1.037 310 D HN 0.543 nan 8.370 nan 0.000 0.423 311 C N 0.842 120.130 119.300 -0.021 0.000 2.653 311 C HA 0.415 4.875 4.460 0.000 0.000 0.421 311 C C 0.938 175.917 174.990 -0.019 0.000 1.334 311 C CA 0.132 59.134 59.018 -0.027 0.000 1.885 311 C CB 0.206 27.938 27.740 -0.012 0.000 2.645 311 C HN 0.472 nan 8.230 nan 0.000 0.601 312 T N 6.149 120.680 114.554 -0.039 0.000 2.840 312 T HA 0.476 4.826 4.350 0.000 0.000 0.287 312 T C -0.368 174.331 174.700 -0.002 0.000 0.991 312 T CA -0.289 61.816 62.100 0.008 0.000 0.964 312 T CB 0.925 69.776 68.868 -0.030 0.000 0.954 312 T HN 0.539 nan 8.240 nan 0.000 0.438 313 M N 3.104 122.749 119.600 0.075 0.000 2.537 313 M HA 0.647 5.127 4.480 0.000 0.000 0.324 313 M C -1.192 175.217 176.300 0.180 0.000 1.187 313 M CA -1.165 54.173 55.300 0.062 0.000 0.993 313 M CB 1.843 34.470 32.600 0.044 0.000 1.666 313 M HN 0.313 nan 8.290 nan 0.000 0.461 314 L N 2.651 123.947 121.223 0.121 0.000 2.404 314 L HA 0.659 4.999 4.340 0.000 0.000 0.272 314 L C -1.501 175.390 176.870 0.035 0.000 0.980 314 L CA -0.496 54.432 54.840 0.147 0.000 0.836 314 L CB 1.837 44.010 42.059 0.191 0.000 1.238 314 L HN 0.495 nan 8.230 nan 0.000 0.408 315 V N 4.409 124.324 119.914 0.003 0.000 2.531 315 V HA 0.563 4.683 4.120 0.000 0.000 0.301 315 V C -0.752 175.187 176.094 -0.258 0.000 1.034 315 V CA -0.624 61.651 62.300 -0.042 0.000 0.865 315 V CB 1.931 33.820 31.823 0.111 0.000 0.995 315 V HN 0.788 nan 8.190 nan 0.000 0.424 316 N N 3.779 122.259 118.700 -0.367 0.000 2.682 316 N HA 0.615 5.355 4.740 0.000 0.000 0.252 316 N C 0.621 175.960 175.510 -0.284 0.000 1.081 316 N CA 0.540 53.129 53.050 -0.768 0.000 0.844 316 N CB 1.700 39.606 38.487 -0.969 0.000 1.167 316 N HN 1.043 nan 8.380 nan 0.000 0.523 317 G N 2.482 111.276 108.800 -0.010 0.000 2.596 317 G HA2 -0.416 3.545 3.960 0.000 0.000 0.304 317 G HA3 -0.416 3.545 3.960 0.000 0.000 0.304 317 G C 0.580 175.338 174.900 -0.236 0.000 1.189 317 G CA 0.818 45.938 45.100 0.033 0.000 0.986 317 G HN 0.613 nan 8.290 nan 0.000 0.548 318 D N 1.239 121.414 120.400 -0.375 0.000 2.349 318 D HA 0.128 4.769 4.640 0.000 0.000 0.224 318 D C 0.492 176.614 176.300 -0.296 0.000 1.029 318 D CA 0.904 54.453 54.000 -0.752 0.000 0.879 318 D CB -0.069 40.274 40.800 -0.761 0.000 0.906 318 D HN 0.413 nan 8.370 nan 0.000 0.528 319 D N 0.516 120.824 120.400 -0.154 0.000 2.280 319 D HA 0.307 4.947 4.640 0.000 0.000 0.243 319 D C -1.052 175.223 176.300 -0.042 0.000 1.129 319 D CA -0.582 53.380 54.000 -0.063 0.000 0.848 319 D CB 1.128 41.892 40.800 -0.059 0.000 1.107 319 D HN 0.031 nan 8.370 nan 0.000 0.471 320 L N 5.218 126.461 121.223 0.035 0.000 2.409 320 L HA 0.516 4.856 4.340 0.000 0.000 0.272 320 L C -1.752 175.126 176.870 0.013 0.000 0.980 320 L CA -0.729 54.145 54.840 0.058 0.000 0.826 320 L CB 1.834 44.001 42.059 0.181 0.000 1.268 320 L HN 0.149 nan 8.230 nan 0.000 0.407 321 V N 5.930 125.806 119.914 -0.064 0.000 2.709 321 V HA 0.806 4.926 4.120 0.000 0.000 0.308 321 V C -1.365 174.555 176.094 -0.289 0.000 1.062 321 V CA -0.371 61.823 62.300 -0.176 0.000 0.901 321 V CB 2.441 34.191 31.823 -0.121 0.000 1.003 321 V HN 0.586 nan 8.190 nan 0.000 0.425 322 V N 7.403 126.951 119.914 -0.609 0.000 2.604 322 V HA 0.601 4.721 4.120 0.000 0.000 0.305 322 V C -0.420 175.384 176.094 -0.482 0.000 1.043 322 V CA -0.496 61.426 62.300 -0.631 0.000 0.888 322 V CB 1.824 33.023 31.823 -1.040 0.000 0.995 322 V HN 0.746 nan 8.190 nan 0.000 0.429 323 I N 4.692 125.116 120.570 -0.243 0.000 2.436 323 I HA 0.697 4.867 4.170 0.000 0.000 0.289 323 I C -0.085 175.954 176.117 -0.130 0.000 1.010 323 I CA -0.304 60.919 61.300 -0.128 0.000 1.098 323 I CB 1.681 39.653 38.000 -0.047 0.000 1.266 323 I HN 0.895 nan 8.210 nan 0.000 0.434 324 C N 2.334 121.564 119.300 -0.118 0.000 3.318 324 C HA 0.581 5.041 4.460 0.000 0.000 0.329 324 C C -0.492 174.422 174.990 -0.125 0.000 1.449 324 C CA -0.935 58.026 59.018 -0.094 0.000 1.397 324 C CB 1.744 29.466 27.740 -0.031 0.000 1.810 324 C HN 0.609 nan 8.230 nan 0.000 0.449 325 E N 1.817 121.962 120.200 -0.090 0.000 2.324 325 E HA 0.248 4.598 4.350 0.000 0.000 0.271 325 E C 0.182 176.758 176.600 -0.041 0.000 1.028 325 E CA 0.532 56.880 56.400 -0.086 0.000 0.890 325 E CB 1.457 31.119 29.700 -0.062 0.000 1.004 325 E HN 0.707 nan 8.360 nan 0.000 0.431 326 S N 1.762 117.445 115.700 -0.029 0.000 2.562 326 S HA 0.266 4.736 4.470 0.000 0.000 0.281 326 S C 0.438 175.049 174.600 0.019 0.000 1.333 326 S CA 0.043 58.271 58.200 0.047 0.000 1.052 326 S CB 0.510 63.782 63.200 0.120 0.000 0.884 326 S HN 0.505 nan 8.310 nan 0.000 0.506 327 A N 3.618 126.458 122.820 0.032 0.000 2.574 327 A HA 0.646 4.966 4.320 0.000 0.000 0.283 327 A C 0.894 178.483 177.584 0.008 0.000 1.270 327 A CA 0.193 52.237 52.037 0.011 0.000 0.945 327 A CB -1.000 18.007 19.000 0.011 0.000 1.127 327 A HN 1.849 nan 8.150 nan 0.000 0.522 328 G N -1.561 107.243 108.800 0.006 0.000 2.662 328 G HA2 -0.091 3.869 3.960 0.000 0.000 0.686 328 G HA3 -0.091 3.869 3.960 0.000 0.000 0.686 328 G C 0.473 175.377 174.900 0.006 0.000 1.271 328 G CA -0.206 44.880 45.100 -0.023 0.000 0.816 328 G HN 0.396 nan 8.290 nan 0.000 0.608 329 T N -0.071 114.459 114.554 -0.040 0.000 2.720 329 T HA -0.164 4.186 4.350 0.000 0.000 0.268 329 T C 2.246 176.976 174.700 0.051 0.000 1.037 329 T CA 2.307 64.412 62.100 0.009 0.000 1.144 329 T CB -0.141 68.694 68.868 -0.057 0.000 0.864 329 T HN 0.606 nan 8.240 nan 0.000 0.444 330 Q N -0.184 119.627 119.800 0.018 0.000 2.163 330 Q HA -0.058 4.282 4.340 0.000 0.000 0.198 330 Q C 2.170 178.180 176.000 0.016 0.000 0.954 330 Q CA 0.652 56.465 55.803 0.016 0.000 0.851 330 Q CB 0.229 28.969 28.738 0.004 0.000 0.928 330 Q HN 0.340 nan 8.270 nan 0.000 0.459 331 E N 0.892 121.102 120.200 0.016 0.000 2.107 331 E HA -0.148 4.202 4.350 0.000 0.000 0.191 331 E C 1.464 178.075 176.600 0.017 0.000 0.982 331 E CA 0.868 57.276 56.400 0.013 0.000 0.809 331 E CB -0.062 29.644 29.700 0.010 0.000 0.756 331 E HN 0.396 nan 8.360 nan 0.000 0.459 332 D N 1.028 121.452 120.400 0.041 0.000 2.097 332 D HA -0.106 4.534 4.640 0.000 0.000 0.195 332 D C 1.888 178.184 176.300 -0.007 0.000 0.989 332 D CA 1.656 55.680 54.000 0.041 0.000 0.827 332 D CB -0.304 40.579 40.800 0.139 0.000 0.966 332 D HN 0.157 nan 8.370 nan 0.000 0.456 333 A N 0.944 123.773 122.820 0.014 0.000 1.908 333 A HA -0.097 4.223 4.320 0.000 0.000 0.218 333 A C 2.296 179.864 177.584 -0.027 0.000 1.181 333 A CA 2.426 54.456 52.037 -0.011 0.000 0.627 333 A CB -0.740 18.268 19.000 0.012 0.000 0.818 333 A HN 0.248 nan 8.150 nan 0.000 0.445 334 A N -0.686 122.127 122.820 -0.013 0.000 1.898 334 A HA -0.032 4.288 4.320 0.000 0.000 0.216 334 A C 2.438 180.012 177.584 -0.016 0.000 1.181 334 A CA 1.947 53.977 52.037 -0.011 0.000 0.620 334 A CB -0.874 18.125 19.000 -0.002 0.000 0.819 334 A HN 0.453 nan 8.150 nan 0.000 0.442 335 S N 0.189 115.876 115.700 -0.021 0.000 2.359 335 S HA -0.137 4.333 4.470 0.000 0.000 0.224 335 S C 1.830 176.405 174.600 -0.042 0.000 1.035 335 S CA 1.546 59.734 58.200 -0.020 0.000 1.018 335 S CB -0.487 62.700 63.200 -0.022 0.000 0.876 335 S HN 0.506 nan 8.310 nan 0.000 0.448 336 L N 0.965 122.105 121.223 -0.139 0.000 2.083 336 L HA -0.109 4.231 4.340 0.000 0.000 0.209 336 L C 2.676 179.521 176.870 -0.043 0.000 1.083 336 L CA 1.321 56.017 54.840 -0.241 0.000 0.752 336 L CB -0.647 41.170 42.059 -0.403 0.000 0.899 336 L HN 0.304 nan 8.230 nan 0.000 0.433 337 R N -0.463 120.022 120.500 -0.025 0.000 2.096 337 R HA -0.122 4.218 4.340 0.000 0.000 0.235 337 R C 2.250 178.564 176.300 0.024 0.000 1.127 337 R CA 1.123 57.229 56.100 0.010 0.000 0.968 337 R CB -0.436 29.863 30.300 -0.003 0.000 0.861 337 R HN 0.204 nan 8.270 nan 0.000 0.440 338 V N 0.766 120.694 119.914 0.023 0.000 2.307 338 V HA -0.232 3.888 4.120 0.000 0.000 0.245 338 V C 1.938 178.044 176.094 0.020 0.000 1.045 338 V CA 1.667 63.975 62.300 0.014 0.000 1.024 338 V CB -0.576 31.257 31.823 0.016 0.000 0.651 338 V HN 0.205 nan 8.190 nan 0.000 0.449 339 F N 1.576 121.475 119.950 -0.085 0.000 2.065 339 F HA -0.294 4.233 4.527 0.000 0.000 0.298 339 F C 2.465 178.202 175.800 -0.105 0.000 1.112 339 F CA 2.544 60.489 58.000 -0.092 0.000 1.212 339 F CB -0.587 38.353 39.000 -0.101 0.000 0.975 339 F HN 0.135 nan 8.300 nan 0.000 0.476 340 T N 0.045 114.686 114.554 0.145 0.000 2.746 340 T HA -0.210 4.140 4.350 0.000 0.000 0.267 340 T C 1.674 176.364 174.700 -0.018 0.000 1.039 340 T CA 1.794 63.977 62.100 0.139 0.000 1.142 340 T CB -0.395 68.625 68.868 0.254 0.000 0.866 340 T HN 0.418 nan 8.240 nan 0.000 0.444 341 E N 1.072 121.241 120.200 -0.053 0.000 2.077 341 E HA -0.080 4.270 4.350 0.000 0.000 0.193 341 E C 2.583 179.050 176.600 -0.221 0.000 0.989 341 E CA 1.013 57.352 56.400 -0.102 0.000 0.800 341 E CB -0.259 29.394 29.700 -0.078 0.000 0.746 341 E HN 0.490 nan 8.360 nan 0.000 0.452 342 A N 1.448 124.082 122.820 -0.310 0.000 1.865 342 A HA -0.223 4.097 4.320 0.000 0.000 0.217 342 A C 2.189 179.328 177.584 -0.742 0.000 1.191 342 A CA 1.529 53.225 52.037 -0.568 0.000 0.623 342 A CB -0.430 18.284 19.000 -0.476 0.000 0.826 342 A HN 0.120 nan 8.150 nan 0.000 0.444 343 M N -0.215 119.076 119.600 -0.516 0.000 2.106 343 M HA -0.146 4.334 4.480 0.000 0.000 0.259 343 M C 2.200 178.433 176.300 -0.110 0.000 1.068 343 M CA 2.222 57.357 55.300 -0.275 0.000 1.100 343 M CB -2.101 30.269 32.600 -0.383 0.000 1.351 343 M HN 0.481 nan 8.290 nan 0.000 0.404 344 T N 0.023 114.511 114.554 -0.110 0.000 2.746 344 T HA -0.121 4.229 4.350 0.000 0.000 0.267 344 T C 1.964 176.609 174.700 -0.092 0.000 1.039 344 T CA 1.140 63.211 62.100 -0.050 0.000 1.142 344 T CB -0.217 68.631 68.868 -0.034 0.000 0.866 344 T HN 0.386 nan 8.240 nan 0.000 0.444 345 R N -0.057 120.318 120.500 -0.209 0.000 2.152 345 R HA -0.047 4.293 4.340 0.000 0.000 0.232 345 R C 1.492 177.730 176.300 -0.104 0.000 1.117 345 R CA 1.005 56.981 56.100 -0.207 0.000 0.981 345 R CB -0.211 29.895 30.300 -0.324 0.000 0.870 345 R HN 0.435 nan 8.270 nan 0.000 0.451 346 Y N -0.136 120.113 120.300 -0.084 0.000 2.471 346 Y HA 0.124 4.674 4.550 -0.000 0.000 0.286 346 Y C 0.827 176.685 175.900 -0.070 0.000 1.188 346 Y CA -0.520 57.521 58.100 -0.098 0.000 1.286 346 Y CB -0.042 38.386 38.460 -0.054 0.000 1.072 346 Y HN -0.070 nan 8.280 nan 0.000 0.517 347 S N 0.038 115.786 115.700 0.080 0.000 3.968 347 S HA -0.082 4.388 4.470 0.000 0.000 0.373 347 S C -0.108 174.519 174.600 0.045 0.000 0.974 347 S CA 0.472 58.703 58.200 0.051 0.000 1.124 347 S CB -1.426 61.791 63.200 0.028 0.000 0.862 347 S HN 0.717 nan 8.310 nan 0.000 0.492 348 A N 1.826 124.697 122.820 0.084 0.000 3.422 348 A HA 0.573 4.893 4.320 0.000 0.000 0.271 348 A C -2.430 175.293 177.584 0.232 0.000 1.104 348 A CA -0.668 51.455 52.037 0.142 0.000 0.899 348 A CB 0.939 20.061 19.000 0.203 0.000 1.309 348 A HN 0.417 nan 8.150 nan 0.000 0.580 349 P HA 0.336 nan 4.420 nan 0.000 0.274 349 P C -2.888 174.469 177.300 0.095 0.000 1.231 349 P CA -1.051 62.117 63.100 0.114 0.000 0.790 349 P CB 0.700 32.399 31.700 -0.003 0.000 0.951 350 P HA 0.128 nan 4.420 nan 0.000 0.279 350 P C 0.680 177.908 177.300 -0.120 0.000 1.252 350 P CA -0.020 62.955 63.100 -0.208 0.000 0.811 350 P CB 0.862 32.394 31.700 -0.281 0.000 1.035 351 G N 1.334 110.057 108.800 -0.128 0.000 2.648 351 G HA2 -0.001 3.959 3.960 0.000 0.000 0.217 351 G HA3 -0.001 3.959 3.960 0.000 0.000 0.217 351 G C -0.289 174.566 174.900 -0.074 0.000 1.386 351 G CA 0.058 45.114 45.100 -0.074 0.000 0.920 351 G HN 0.499 nan 8.290 nan 0.000 0.540 352 D N 2.811 123.167 120.400 -0.073 0.000 2.383 352 D HA 0.282 4.922 4.640 0.000 0.000 0.252 352 D C -2.109 174.145 176.300 -0.076 0.000 1.166 352 D CA -1.067 52.898 54.000 -0.058 0.000 0.879 352 D CB 0.986 41.762 40.800 -0.040 0.000 1.164 352 D HN 0.106 nan 8.370 nan 0.000 0.462 353 P HA 0.110 nan 4.420 nan 0.000 0.269 353 P C -2.378 174.915 177.300 -0.013 0.000 1.209 353 P CA -0.971 62.113 63.100 -0.027 0.000 0.776 353 P CB -0.266 31.430 31.700 -0.007 0.000 0.876 354 P HA 0.131 nan 4.420 nan 0.000 0.272 354 P C -0.556 176.733 177.300 -0.019 0.000 1.223 354 P CA 0.191 63.322 63.100 0.052 0.000 0.784 354 P CB 0.653 32.426 31.700 0.123 0.000 0.923 355 Q N 1.365 121.163 119.800 -0.002 0.000 2.347 355 Q HA 0.410 4.750 4.340 0.000 0.000 0.271 355 Q C -2.462 173.519 176.000 -0.033 0.000 1.064 355 Q CA -2.089 53.697 55.803 -0.028 0.000 0.800 355 Q CB 2.028 30.766 28.738 -0.000 0.000 1.304 355 Q HN 0.373 nan 8.270 nan 0.000 0.438 356 P HA 0.138 nan 4.420 nan 0.000 0.271 356 P C -0.486 176.656 177.300 -0.263 0.000 1.220 356 P CA 0.028 63.021 63.100 -0.177 0.000 0.768 356 P CB 1.095 32.680 31.700 -0.191 0.000 0.848 357 E N 2.267 122.285 120.200 -0.303 0.000 2.222 357 E HA 0.206 4.556 4.350 0.000 0.000 0.267 357 E C -0.482 175.957 176.600 -0.269 0.000 0.884 357 E CA -0.486 55.779 56.400 -0.225 0.000 0.764 357 E CB 1.488 31.158 29.700 -0.049 0.000 1.169 357 E HN 0.431 nan 8.360 nan 0.000 0.413 358 Y N -0.180 120.257 120.300 0.227 0.000 2.481 358 Y HA 0.162 4.711 4.550 -0.000 0.000 0.247 358 Y C 0.376 176.513 175.900 0.395 0.000 1.151 358 Y CA -0.354 57.935 58.100 0.315 0.000 1.238 358 Y CB 0.967 39.521 38.460 0.157 0.000 1.179 358 Y HN 0.240 nan 8.280 nan 0.000 0.524 359 D N 0.602 121.163 120.400 0.268 0.000 2.440 359 D HA 0.110 4.750 4.640 0.000 0.000 0.239 359 D C 0.837 176.944 176.300 -0.322 0.000 1.084 359 D CA -0.234 53.797 54.000 0.051 0.000 0.843 359 D CB 1.705 42.528 40.800 0.039 0.000 1.097 359 D HN 0.118 nan 8.370 nan 0.000 0.531 360 L N 4.552 125.273 121.223 -0.836 0.000 2.043 360 L HA -0.156 4.184 4.340 0.000 0.000 0.212 360 L C 1.659 178.193 176.870 -0.560 0.000 1.075 360 L CA 1.985 56.110 54.840 -1.191 0.000 0.752 360 L CB -0.285 40.838 42.059 -1.561 0.000 0.891 360 L HN 0.504 nan 8.230 nan 0.000 0.432 361 E N -0.810 119.176 120.200 -0.356 0.000 2.409 361 E HA -0.148 4.202 4.350 0.000 0.000 0.198 361 E C 1.877 178.387 176.600 -0.151 0.000 1.024 361 E CA 0.775 57.048 56.400 -0.211 0.000 0.861 361 E CB -0.160 29.466 29.700 -0.124 0.000 0.788 361 E HN 0.552 nan 8.360 nan 0.000 0.521 362 L N 0.761 121.896 121.223 -0.147 0.000 2.607 362 L HA 0.207 4.547 4.340 0.000 0.000 0.228 362 L C 0.634 177.448 176.870 -0.094 0.000 1.123 362 L CA -0.162 54.624 54.840 -0.089 0.000 0.890 362 L CB 0.207 42.239 42.059 -0.045 0.000 1.103 362 L HN 0.013 nan 8.230 nan 0.000 0.468 363 I N 0.301 120.783 120.570 -0.147 0.000 2.312 363 I HA 0.090 4.260 4.170 0.000 0.000 0.291 363 I C 0.121 176.181 176.117 -0.094 0.000 1.031 363 I CA 0.170 61.399 61.300 -0.119 0.000 1.293 363 I CB 1.243 39.145 38.000 -0.164 0.000 1.403 363 I HN -0.073 nan 8.210 nan 0.000 0.484 364 T N 5.298 119.821 114.554 -0.052 0.000 2.744 364 T HA 0.453 4.803 4.350 0.000 0.000 0.291 364 T C -0.138 174.551 174.700 -0.019 0.000 0.957 364 T CA -0.574 61.508 62.100 -0.031 0.000 1.002 364 T CB 0.786 69.645 68.868 -0.015 0.000 0.919 364 T HN 0.727 nan 8.240 nan 0.000 0.468 365 S N 0.814 116.506 115.700 -0.014 0.000 2.536 365 S HA 0.402 4.872 4.470 0.000 0.000 0.271 365 S C 0.039 174.650 174.600 0.017 0.000 1.134 365 S CA -0.882 57.314 58.200 -0.007 0.000 0.897 365 S CB 0.628 63.807 63.200 -0.035 0.000 1.094 365 S HN 0.874 nan 8.310 nan 0.000 0.473 366 C N 2.120 121.433 119.300 0.022 0.000 4.028 366 C HA -0.162 4.298 4.460 0.000 0.000 0.300 366 C C 1.442 176.499 174.990 0.111 0.000 1.399 366 C CA 0.813 59.867 59.018 0.061 0.000 2.051 366 C CB -3.276 24.498 27.740 0.056 0.000 1.318 366 C HN 1.637 nan 8.230 nan 0.000 0.696 367 S N -1.715 114.036 115.700 0.084 0.000 3.270 367 S HA -0.205 4.265 4.470 0.000 0.000 0.293 367 S C 0.356 175.010 174.600 0.089 0.000 1.278 367 S CA 1.374 59.624 58.200 0.084 0.000 1.038 367 S CB -0.833 62.434 63.200 0.111 0.000 1.218 367 S HN 1.075 nan 8.310 nan 0.000 0.659 368 S N 1.454 117.212 115.700 0.097 0.000 2.667 368 S HA 0.785 5.255 4.470 0.000 0.000 0.292 368 S C -0.527 174.096 174.600 0.039 0.000 1.126 368 S CA -0.912 57.360 58.200 0.120 0.000 0.881 368 S CB 1.935 65.284 63.200 0.248 0.000 1.132 368 S HN 0.583 nan 8.310 nan 0.000 0.492 369 N N -0.947 117.763 118.700 0.017 0.000 2.396 369 N HA 0.380 5.120 4.740 0.000 0.000 0.275 369 N C -1.577 173.862 175.510 -0.119 0.000 1.218 369 N CA -0.621 52.390 53.050 -0.065 0.000 0.812 369 N CB 1.215 39.656 38.487 -0.076 0.000 1.592 369 N HN 0.349 nan 8.380 nan 0.000 0.480 370 V N 0.649 120.457 119.914 -0.178 0.000 2.637 370 V HA 0.366 4.486 4.120 0.000 0.000 0.296 370 V C 0.617 176.573 176.094 -0.230 0.000 1.046 370 V CA 0.098 62.264 62.300 -0.223 0.000 1.066 370 V CB 0.712 32.380 31.823 -0.258 0.000 0.968 370 V HN 0.830 nan 8.190 nan 0.000 0.483 371 S N 2.987 118.480 115.700 -0.346 0.000 2.720 371 S HA 0.791 5.261 4.470 0.000 0.000 0.287 371 S C -1.316 173.185 174.600 -0.164 0.000 1.168 371 S CA -0.489 57.557 58.200 -0.256 0.000 0.832 371 S CB 2.094 65.141 63.200 -0.254 0.000 1.166 371 S HN 0.660 nan 8.310 nan 0.000 0.493 372 V N 1.205 121.130 119.914 0.018 0.000 2.735 372 V HA 0.974 5.094 4.120 0.000 0.000 0.310 372 V C -0.178 175.894 176.094 -0.037 0.000 1.061 372 V CA 0.288 62.556 62.300 -0.055 0.000 0.913 372 V CB 1.187 32.833 31.823 -0.294 0.000 1.005 372 V HN 1.290 nan 8.190 nan 0.000 0.428 373 A N 4.356 127.010 122.820 -0.276 0.000 2.525 373 A HA 0.941 5.261 4.320 0.000 0.000 0.291 373 A C -1.559 175.527 177.584 -0.830 0.000 1.268 373 A CA -0.548 51.142 52.037 -0.579 0.000 0.712 373 A CB 1.583 20.045 19.000 -0.897 0.000 1.320 373 A HN 1.000 nan 8.150 nan 0.000 0.456 374 H N 0.111 118.825 119.070 -0.593 0.000 2.637 374 H HA 0.494 5.050 4.556 0.000 0.000 0.363 374 H C -0.826 174.153 175.328 -0.581 0.000 1.131 374 H CA -0.390 55.324 56.048 -0.557 0.000 1.183 374 H CB 1.372 30.789 29.762 -0.574 0.000 1.637 374 H HN 0.786 nan 8.280 nan 0.000 0.531 375 D N 1.015 121.308 120.400 -0.179 0.000 2.478 375 D HA 0.220 4.860 4.640 0.000 0.000 0.274 375 D C 1.370 177.741 176.300 0.119 0.000 1.234 375 D CA -0.286 53.679 54.000 -0.058 0.000 1.069 375 D CB 0.225 41.003 40.800 -0.037 0.000 1.113 375 D HN 0.517 nan 8.370 nan 0.000 0.571 376 A N -0.035 122.866 122.820 0.135 0.000 1.917 376 A HA -0.197 4.123 4.320 0.000 0.000 0.219 376 A C 2.012 179.674 177.584 0.130 0.000 1.182 376 A CA 2.828 54.955 52.037 0.148 0.000 0.633 376 A CB -1.326 17.725 19.000 0.086 0.000 0.819 376 A HN 0.662 nan 8.150 nan 0.000 0.448 377 S N -1.631 114.122 115.700 0.089 0.000 2.607 377 S HA 0.348 4.818 4.470 0.000 0.000 0.224 377 S C 1.404 176.048 174.600 0.074 0.000 0.969 377 S CA 1.005 59.243 58.200 0.064 0.000 0.927 377 S CB -0.556 62.669 63.200 0.041 0.000 0.772 377 S HN 1.993 nan 8.310 nan 0.000 0.533 378 G N 1.289 110.164 108.800 0.124 0.000 2.148 378 G HA2 -0.322 3.638 3.960 0.000 0.000 0.254 378 G HA3 -0.322 3.638 3.960 0.000 0.000 0.254 378 G C -0.074 174.889 174.900 0.106 0.000 0.981 378 G CA 0.407 45.569 45.100 0.103 0.000 0.670 378 G HN 0.737 nan 8.290 nan 0.000 0.528 379 K N 0.706 121.153 120.400 0.078 0.000 2.205 379 K HA 0.445 4.765 4.320 0.000 0.000 0.279 379 K C 0.857 177.443 176.600 -0.025 0.000 1.027 379 K CA -0.862 55.453 56.287 0.047 0.000 0.932 379 K CB 0.388 32.891 32.500 0.006 0.000 1.032 379 K HN 0.296 nan 8.250 nan 0.000 0.466 380 R N 1.892 122.336 120.500 -0.092 0.000 2.522 380 R HA 0.090 4.430 4.340 0.000 0.000 0.284 380 R C -0.642 175.418 176.300 -0.401 0.000 1.032 380 R CA -0.158 55.694 56.100 -0.413 0.000 1.049 380 R CB 0.597 30.652 30.300 -0.408 0.000 0.956 380 R HN 0.263 nan 8.270 nan 0.000 0.422 381 V N 4.891 124.518 119.914 -0.479 0.000 2.531 381 V HA 0.252 4.372 4.120 0.000 0.000 0.301 381 V C -0.896 175.020 176.094 -0.297 0.000 1.034 381 V CA -0.893 61.224 62.300 -0.305 0.000 0.865 381 V CB 1.303 33.004 31.823 -0.202 0.000 0.995 381 V HN 0.563 nan 8.190 nan 0.000 0.424 382 Y N 5.057 125.346 120.300 -0.019 0.000 2.301 382 Y HA 0.675 5.225 4.550 0.000 0.000 0.325 382 Y C 0.026 175.989 175.900 0.105 0.000 1.203 382 Y CA -0.260 57.843 58.100 0.004 0.000 1.255 382 Y CB 1.133 39.550 38.460 -0.071 0.000 1.232 382 Y HN 0.729 nan 8.280 nan 0.000 0.501 383 Y N -0.233 120.125 120.300 0.096 0.000 2.656 383 Y HA 0.652 5.202 4.550 0.000 0.000 0.334 383 Y C -2.365 173.582 175.900 0.079 0.000 1.179 383 Y CA -1.908 56.223 58.100 0.052 0.000 1.050 383 Y CB 0.626 39.086 38.460 0.000 0.000 1.308 383 Y HN 0.473 nan 8.280 nan 0.000 0.456 384 L N 2.208 123.459 121.223 0.047 0.000 2.289 384 L HA 0.760 5.100 4.340 0.000 0.000 0.285 384 L C 0.071 177.081 176.870 0.234 0.000 1.049 384 L CA 0.318 55.170 54.840 0.021 0.000 0.804 384 L CB 1.521 43.632 42.059 0.086 0.000 1.195 384 L HN 1.031 nan 8.230 nan 0.000 0.428 385 T N 4.163 118.813 114.554 0.160 0.000 2.742 385 T HA 0.881 5.231 4.350 0.000 0.000 0.282 385 T C -1.109 173.722 174.700 0.219 0.000 1.025 385 T CA -0.608 61.686 62.100 0.323 0.000 1.020 385 T CB 1.163 70.183 68.868 0.253 0.000 1.317 385 T HN 0.824 nan 8.240 nan 0.000 0.538 386 R N 0.444 121.006 120.500 0.103 0.000 2.712 386 R HA 0.429 4.769 4.340 0.000 0.000 0.272 386 R C -1.512 174.637 176.300 -0.251 0.000 1.032 386 R CA -0.957 55.089 56.100 -0.089 0.000 0.874 386 R CB 0.415 30.596 30.300 -0.198 0.000 1.256 386 R HN 0.529 nan 8.270 nan 0.000 0.468 387 D N 2.171 122.423 120.400 -0.246 0.000 2.472 387 D HA 0.031 4.671 4.640 0.000 0.000 0.248 387 D C -1.368 174.585 176.300 -0.579 0.000 1.174 387 D CA -1.055 52.749 54.000 -0.327 0.000 0.883 387 D CB 1.227 41.914 40.800 -0.188 0.000 1.149 387 D HN 0.365 nan 8.370 nan 0.000 0.488 388 P HA 0.025 nan 4.420 nan 0.000 0.253 388 P C 1.058 178.020 177.300 -0.563 0.000 1.260 388 P CA 0.073 62.473 63.100 -1.167 0.000 0.800 388 P CB 0.326 31.174 31.700 -1.420 0.000 1.162 389 T N -0.440 113.912 114.554 -0.337 0.000 2.674 389 T HA -0.107 4.244 4.350 0.000 0.000 0.265 389 T C 1.734 176.370 174.700 -0.107 0.000 1.039 389 T CA 2.207 64.210 62.100 -0.163 0.000 1.150 389 T CB -0.963 67.856 68.868 -0.083 0.000 0.864 389 T HN 0.195 nan 8.240 nan 0.000 0.427 390 T N 2.154 116.648 114.554 -0.101 0.000 2.770 390 T HA -0.026 4.324 4.350 0.000 0.000 0.263 390 T C -0.564 174.096 174.700 -0.067 0.000 1.039 390 T CA 0.971 63.041 62.100 -0.049 0.000 1.142 390 T CB -1.246 67.628 68.868 0.010 0.000 0.868 390 T HN 0.305 nan 8.240 nan 0.000 0.435 391 P HA -0.060 nan 4.420 nan 0.000 0.216 391 P C 1.433 178.764 177.300 0.052 0.000 1.154 391 P CA 1.056 64.150 63.100 -0.009 0.000 0.865 391 P CB -0.175 31.472 31.700 -0.089 0.000 0.789 392 L N -1.764 119.446 121.223 -0.021 0.000 2.131 392 L HA -0.055 4.285 4.340 0.000 0.000 0.206 392 L C 2.473 179.387 176.870 0.074 0.000 1.087 392 L CA 1.180 56.041 54.840 0.035 0.000 0.767 392 L CB -1.060 40.982 42.059 -0.028 0.000 0.917 392 L HN -0.066 nan 8.230 nan 0.000 0.441 393 A N 0.414 123.263 122.820 0.049 0.000 1.902 393 A HA -0.219 4.101 4.320 0.000 0.000 0.217 393 A C 2.371 180.028 177.584 0.121 0.000 1.181 393 A CA 1.580 53.666 52.037 0.082 0.000 0.623 393 A CB -0.447 18.577 19.000 0.040 0.000 0.818 393 A HN 0.313 nan 8.150 nan 0.000 0.443 394 R N -0.667 119.877 120.500 0.073 0.000 2.115 394 R HA 0.008 4.348 4.340 0.000 0.000 0.230 394 R C 2.449 178.901 176.300 0.252 0.000 1.111 394 R CA 1.016 57.175 56.100 0.098 0.000 0.976 394 R CB -0.406 29.892 30.300 -0.004 0.000 0.870 394 R HN 0.515 nan 8.270 nan 0.000 0.445 395 A N 1.285 124.279 122.820 0.289 0.000 1.902 395 A HA -0.128 4.192 4.320 0.000 0.000 0.217 395 A C 2.364 180.201 177.584 0.422 0.000 1.181 395 A CA 1.681 54.009 52.037 0.486 0.000 0.623 395 A CB -0.655 18.659 19.000 0.523 0.000 0.818 395 A HN 0.387 nan 8.150 nan 0.000 0.443 396 A N -1.312 121.660 122.820 0.253 0.000 1.908 396 A HA -0.207 4.113 4.320 0.000 0.000 0.218 396 A C 2.110 179.810 177.584 0.193 0.000 1.181 396 A CA 1.440 53.582 52.037 0.175 0.000 0.627 396 A CB -0.890 18.194 19.000 0.140 0.000 0.818 396 A HN 0.825 nan 8.150 nan 0.000 0.445 397 W N 0.860 122.207 121.300 0.078 0.000 2.355 397 W HA -0.154 4.506 4.660 0.000 0.000 0.309 397 W C 1.781 178.350 176.519 0.084 0.000 1.206 397 W CA 1.987 59.364 57.345 0.053 0.000 1.284 397 W CB -0.364 29.108 29.460 0.020 0.000 1.145 397 W HN 0.549 nan 8.180 nan 0.000 0.502 398 E N -0.847 119.611 120.200 0.429 0.000 2.338 398 E HA -0.136 4.214 4.350 0.000 0.000 0.197 398 E C 1.931 178.725 176.600 0.323 0.000 1.007 398 E CA 1.462 58.090 56.400 0.380 0.000 0.849 398 E CB -0.122 29.844 29.700 0.442 0.000 0.774 398 E HN 0.107 nan 8.360 nan 0.000 0.506 399 T N 0.250 114.976 114.554 0.286 0.000 2.821 399 T HA -0.096 4.254 4.350 0.000 0.000 0.267 399 T C 1.759 176.452 174.700 -0.012 0.000 1.046 399 T CA 1.283 63.466 62.100 0.139 0.000 1.139 399 T CB 0.050 69.005 68.868 0.145 0.000 0.871 399 T HN 0.225 nan 8.240 nan 0.000 0.454 400 A N 0.051 122.826 122.820 -0.076 0.000 2.288 400 A HA 0.347 4.667 4.320 0.000 0.000 0.216 400 A C 0.917 178.382 177.584 -0.198 0.000 1.199 400 A CA -0.086 51.852 52.037 -0.166 0.000 0.891 400 A CB 0.508 19.366 19.000 -0.236 0.000 0.923 400 A HN 0.093 nan 8.150 nan 0.000 0.500 401 R N 0.308 120.710 120.500 -0.164 0.000 2.574 401 R HA 0.353 4.693 4.340 0.000 0.000 0.288 401 R C -1.659 174.610 176.300 -0.051 0.000 1.004 401 R CA -0.545 55.494 56.100 -0.102 0.000 0.895 401 R CB 0.930 31.217 30.300 -0.022 0.000 1.191 401 R HN 0.483 nan 8.270 nan 0.000 0.444 402 H N 0.744 119.882 119.070 0.113 0.000 2.803 402 H HA 0.168 4.724 4.556 0.000 0.000 0.330 402 H C 0.571 175.974 175.328 0.125 0.000 1.057 402 H CA 0.702 56.820 56.048 0.117 0.000 1.458 402 H CB 0.740 30.544 29.762 0.071 0.000 1.470 402 H HN 0.524 nan 8.280 nan 0.000 0.560 403 T N 0.169 114.857 114.554 0.224 0.000 2.916 403 T HA 0.268 4.618 4.350 0.000 0.000 0.292 403 T C -1.786 172.960 174.700 0.077 0.000 1.055 403 T CA -2.111 60.075 62.100 0.144 0.000 1.009 403 T CB 1.740 70.689 68.868 0.135 0.000 1.118 403 T HN 0.250 nan 8.240 nan 0.000 0.497 404 P HA 0.108 nan 4.420 nan 0.000 0.218 404 P C -0.114 177.187 177.300 0.001 0.000 1.149 404 P CA 0.378 63.471 63.100 -0.010 0.000 0.817 404 P CB 0.081 31.764 31.700 -0.028 0.000 0.785 405 V N 1.367 121.273 119.914 -0.013 0.000 2.409 405 V HA 0.225 4.345 4.120 0.000 0.000 0.291 405 V C -0.080 175.979 176.094 -0.058 0.000 1.020 405 V CA -0.820 61.455 62.300 -0.042 0.000 0.848 405 V CB 1.530 33.322 31.823 -0.052 0.000 0.990 405 V HN -0.002 nan 8.190 nan 0.000 0.430 406 N N 3.131 121.750 118.700 -0.134 0.000 2.602 406 N HA 0.062 4.802 4.740 0.000 0.000 0.238 406 N C 1.394 176.698 175.510 -0.344 0.000 1.084 406 N CA 0.168 53.067 53.050 -0.251 0.000 0.952 406 N CB 1.603 39.808 38.487 -0.471 0.000 1.244 406 N HN 0.837 nan 8.380 nan 0.000 0.512 407 S N 2.071 117.684 115.700 -0.145 0.000 2.399 407 S HA -0.122 4.348 4.470 0.000 0.000 0.231 407 S C 1.878 176.442 174.600 -0.061 0.000 1.022 407 S CA 0.232 58.384 58.200 -0.079 0.000 0.983 407 S CB -0.415 62.786 63.200 0.001 0.000 0.803 407 S HN 0.780 nan 8.310 nan 0.000 0.480 408 W N 1.292 122.494 121.300 -0.162 0.000 2.338 408 W HA -0.094 4.567 4.660 0.000 0.000 0.304 408 W C 1.708 178.143 176.519 -0.140 0.000 1.212 408 W CA 0.628 57.830 57.345 -0.239 0.000 1.264 408 W CB -1.103 27.809 29.460 -0.914 0.000 1.142 408 W HN 0.373 nan 8.180 nan 0.000 0.512 409 L N 2.767 123.413 121.223 -0.961 0.000 2.044 409 L HA 0.159 4.499 4.340 0.000 0.000 0.205 409 L C 2.766 179.441 176.870 -0.325 0.000 1.075 409 L CA 2.851 57.157 54.840 -0.890 0.000 0.747 409 L CB -1.437 39.863 42.059 -1.265 0.000 0.903 409 L HN 0.064 nan 8.230 nan 0.000 0.435 410 G N -0.494 108.143 108.800 -0.271 0.000 2.469 410 G HA2 -0.332 3.628 3.960 0.000 0.000 0.219 410 G HA3 -0.332 3.628 3.960 0.000 0.000 0.219 410 G C 1.484 176.391 174.900 0.012 0.000 1.150 410 G CA 0.918 45.942 45.100 -0.126 0.000 0.763 410 G HN 0.454 nan 8.290 nan 0.000 0.561 411 N N 0.590 119.354 118.700 0.108 0.000 2.120 411 N HA -0.035 4.705 4.740 0.000 0.000 0.188 411 N C 2.291 177.934 175.510 0.220 0.000 1.024 411 N CA 0.799 54.031 53.050 0.303 0.000 0.852 411 N CB -0.220 38.516 38.487 0.415 0.000 1.003 411 N HN 0.357 nan 8.380 nan 0.000 0.424 412 I N 1.024 121.687 120.570 0.156 0.000 2.163 412 I HA -0.252 3.918 4.170 0.000 0.000 0.243 412 I C 2.064 178.232 176.117 0.085 0.000 1.085 412 I CA 0.950 62.325 61.300 0.124 0.000 1.347 412 I CB -0.202 37.942 38.000 0.240 0.000 1.044 412 I HN 0.040 nan 8.210 nan 0.000 0.408 413 I N -0.108 120.514 120.570 0.087 0.000 2.179 413 I HA -0.314 3.856 4.170 0.000 0.000 0.242 413 I C 2.490 178.710 176.117 0.171 0.000 1.088 413 I CA 1.363 62.745 61.300 0.136 0.000 1.357 413 I CB -0.218 37.851 38.000 0.114 0.000 1.051 413 I HN 0.220 nan 8.210 nan 0.000 0.409 414 M N -1.000 118.621 119.600 0.034 0.000 2.288 414 M HA -0.092 4.388 4.480 0.000 0.000 0.266 414 M C 1.052 177.159 176.300 -0.322 0.000 1.072 414 M CA 1.660 56.870 55.300 -0.150 0.000 1.132 414 M CB -0.631 31.763 32.600 -0.343 0.000 1.386 414 M HN 0.203 nan 8.290 nan 0.000 0.432 415 Y N -0.639 119.650 120.300 -0.018 0.000 2.720 415 Y HA 0.479 5.029 4.550 0.000 0.000 0.268 415 Y C 1.826 177.475 175.900 -0.418 0.000 1.142 415 Y CA -0.302 57.679 58.100 -0.199 0.000 1.193 415 Y CB -0.869 37.421 38.460 -0.283 0.000 1.176 415 Y HN 0.152 nan 8.280 nan 0.000 0.542 416 A N 1.158 123.773 122.820 -0.343 0.000 1.940 416 A HA -0.201 4.119 4.320 0.000 0.000 0.221 416 A C -0.443 176.860 177.584 -0.468 0.000 1.190 416 A CA 1.918 53.709 52.037 -0.410 0.000 0.647 416 A CB -1.428 17.300 19.000 -0.452 0.000 0.821 416 A HN 0.285 nan 8.150 nan 0.000 0.457 417 P HA 0.058 nan 4.420 nan 0.000 0.245 417 P C 0.499 177.555 177.300 -0.406 0.000 1.212 417 P CA 1.032 63.868 63.100 -0.440 0.000 0.774 417 P CB -0.393 31.069 31.700 -0.397 0.000 0.999 418 T N -2.521 111.807 114.554 -0.378 0.000 2.913 418 T HA 0.143 4.493 4.350 0.000 0.000 0.297 418 T C 1.126 175.442 174.700 -0.641 0.000 1.029 418 T CA -0.652 61.191 62.100 -0.428 0.000 1.104 418 T CB 0.710 69.137 68.868 -0.735 0.000 0.964 418 T HN -0.166 nan 8.240 nan 0.000 0.532 419 L N 2.377 123.145 121.223 -0.759 0.000 2.042 419 L HA -0.013 4.327 4.340 0.000 0.000 0.210 419 L C 2.312 178.869 176.870 -0.521 0.000 1.076 419 L CA 1.806 56.125 54.840 -0.869 0.000 0.749 419 L CB -0.785 40.672 42.059 -1.004 0.000 0.893 419 L HN 0.927 nan 8.230 nan 0.000 0.432 420 W N -1.279 119.816 121.300 -0.343 0.000 2.523 420 W HA 0.209 4.869 4.660 -0.000 0.000 0.278 420 W C 2.008 178.393 176.519 -0.223 0.000 1.236 420 W CA 0.580 57.759 57.345 -0.276 0.000 1.306 420 W CB -1.257 28.077 29.460 -0.211 0.000 1.101 420 W HN 0.285 nan 8.180 nan 0.000 0.577 421 A N 2.164 124.509 122.820 -0.791 0.000 1.898 421 A HA -0.140 4.180 4.320 0.000 0.000 0.216 421 A C 2.249 179.670 177.584 -0.270 0.000 1.181 421 A CA 1.836 53.561 52.037 -0.519 0.000 0.620 421 A CB -0.792 17.771 19.000 -0.728 0.000 0.819 421 A HN 0.282 nan 8.150 nan 0.000 0.442 422 R N -0.967 119.294 120.500 -0.397 0.000 2.066 422 R HA 0.007 4.347 4.340 0.000 0.000 0.232 422 R C 2.263 178.345 176.300 -0.363 0.000 1.131 422 R CA 1.768 57.638 56.100 -0.384 0.000 0.955 422 R CB -0.362 29.564 30.300 -0.624 0.000 0.851 422 R HN 0.505 nan 8.270 nan 0.000 0.432 423 M N -0.362 118.913 119.600 -0.541 0.000 2.288 423 M HA -0.011 4.469 4.480 0.000 0.000 0.266 423 M C 1.858 178.072 176.300 -0.145 0.000 1.072 423 M CA 1.456 56.494 55.300 -0.436 0.000 1.132 423 M CB 0.156 32.470 32.600 -0.476 0.000 1.386 423 M HN 0.138 nan 8.290 nan 0.000 0.432 424 I N -0.999 119.358 120.570 -0.356 0.000 3.132 424 I HA -0.081 4.089 4.170 0.000 0.000 0.255 424 I C 2.053 177.998 176.117 -0.287 0.000 1.118 424 I CA 0.206 61.041 61.300 -0.775 0.000 1.463 424 I CB -0.175 37.301 38.000 -0.872 0.000 1.356 424 I HN 0.107 nan 8.210 nan 0.000 0.463 425 L N 0.472 121.708 121.223 0.021 0.000 1.989 425 L HA -0.226 4.114 4.340 0.000 0.000 0.211 425 L C 2.725 179.872 176.870 0.462 0.000 1.071 425 L CA 1.752 56.791 54.840 0.333 0.000 0.749 425 L CB -0.485 41.803 42.059 0.382 0.000 0.890 425 L HN 0.289 nan 8.230 nan 0.000 0.431 426 M N -0.870 118.971 119.600 0.402 0.000 2.080 426 M HA -0.204 4.276 4.480 0.000 0.000 0.260 426 M C 2.310 179.105 176.300 0.824 0.000 1.068 426 M CA 2.225 57.876 55.300 0.584 0.000 1.109 426 M CB -0.806 31.936 32.600 0.236 0.000 1.342 426 M HN 0.289 nan 8.290 nan 0.000 0.405 427 T N -1.377 113.625 114.554 0.747 0.000 2.674 427 T HA -0.216 4.134 4.350 0.000 0.000 0.265 427 T C 1.677 176.671 174.700 0.490 0.000 1.039 427 T CA 1.895 64.416 62.100 0.703 0.000 1.150 427 T CB -0.573 68.749 68.868 0.757 0.000 0.864 427 T HN 0.444 nan 8.240 nan 0.000 0.427 428 H N 0.424 119.651 119.070 0.262 0.000 2.293 428 H HA -0.006 4.550 4.556 0.000 0.000 0.300 428 H C 1.743 176.932 175.328 -0.233 0.000 1.082 428 H CA 1.590 57.657 56.048 0.031 0.000 1.308 428 H CB -0.496 29.126 29.762 -0.234 0.000 1.375 428 H HN 0.356 nan 8.280 nan 0.000 0.495 429 F N -1.285 118.582 119.950 -0.138 0.000 2.293 429 F HA 0.025 4.552 4.527 0.000 0.000 0.297 429 F C 1.969 177.528 175.800 -0.403 0.000 1.089 429 F CA 0.391 58.037 58.000 -0.590 0.000 1.377 429 F CB -0.475 37.688 39.000 -1.394 0.000 1.051 429 F HN 0.125 nan 8.300 nan 0.000 0.511 430 F N -0.435 119.573 119.950 0.097 0.000 2.171 430 F HA -0.216 4.311 4.527 0.000 0.000 0.300 430 F C 2.766 178.583 175.800 0.028 0.000 1.090 430 F CA 1.590 59.677 58.000 0.145 0.000 1.293 430 F CB -0.924 38.272 39.000 0.328 0.000 1.013 430 F HN -0.088 nan 8.300 nan 0.000 0.486 431 S N 0.466 116.238 115.700 0.120 0.000 2.359 431 S HA -0.194 4.276 4.470 0.000 0.000 0.224 431 S C 2.144 176.699 174.600 -0.076 0.000 1.035 431 S CA 1.501 59.701 58.200 -0.000 0.000 1.018 431 S CB -0.502 62.681 63.200 -0.028 0.000 0.876 431 S HN 0.331 nan 8.310 nan 0.000 0.448 432 I N 1.311 121.765 120.570 -0.193 0.000 2.163 432 I HA -0.196 3.975 4.170 0.000 0.000 0.243 432 I C 2.198 178.265 176.117 -0.083 0.000 1.085 432 I CA 1.231 62.412 61.300 -0.197 0.000 1.347 432 I CB -0.371 37.427 38.000 -0.336 0.000 1.044 432 I HN 0.332 nan 8.210 nan 0.000 0.408 433 L N -0.025 121.157 121.223 -0.067 0.000 2.093 433 L HA -0.196 4.144 4.340 0.000 0.000 0.208 433 L C 2.526 179.420 176.870 0.040 0.000 1.085 433 L CA 1.108 55.943 54.840 -0.008 0.000 0.755 433 L CB -0.526 41.500 42.059 -0.055 0.000 0.904 433 L HN 0.277 nan 8.230 nan 0.000 0.435 434 L N -0.053 121.205 121.223 0.058 0.000 1.994 434 L HA -0.196 4.145 4.340 0.000 0.000 0.208 434 L C 2.943 179.829 176.870 0.027 0.000 1.071 434 L CA 1.322 56.199 54.840 0.061 0.000 0.745 434 L CB -0.700 41.397 42.059 0.063 0.000 0.892 434 L HN 0.225 nan 8.230 nan 0.000 0.431 435 A N -0.834 121.988 122.820 0.004 0.000 1.917 435 A HA -0.229 4.091 4.320 0.000 0.000 0.219 435 A C 2.100 179.688 177.584 0.006 0.000 1.182 435 A CA 1.548 53.582 52.037 -0.006 0.000 0.633 435 A CB -0.346 18.637 19.000 -0.028 0.000 0.819 435 A HN 0.445 nan 8.150 nan 0.000 0.448 436 Q N -1.066 118.743 119.800 0.014 0.000 2.360 436 Q HA 0.097 4.437 4.340 0.000 0.000 0.202 436 Q C -0.256 175.766 176.000 0.038 0.000 0.915 436 Q CA 0.400 56.221 55.803 0.029 0.000 0.943 436 Q CB 0.030 28.794 28.738 0.043 0.000 1.064 436 Q HN 0.780 nan 8.270 nan 0.000 0.511 437 E N 0.616 120.839 120.200 0.039 0.000 2.328 437 E HA -0.252 4.098 4.350 0.000 0.000 0.233 437 E C -0.302 176.332 176.600 0.056 0.000 1.219 437 E CA 0.268 56.697 56.400 0.047 0.000 0.717 437 E CB -0.794 28.930 29.700 0.039 0.000 1.210 437 E HN 0.389 nan 8.360 nan 0.000 0.381 438 Q N -0.520 119.318 119.800 0.063 0.000 2.186 438 Q HA 0.205 4.545 4.340 0.000 0.000 0.241 438 Q C 1.482 177.532 176.000 0.083 0.000 0.849 438 Q CA -0.298 55.549 55.803 0.073 0.000 1.053 438 Q CB 0.472 29.260 28.738 0.084 0.000 1.146 438 Q HN 0.404 nan 8.270 nan 0.000 0.475 439 L N 0.423 121.700 121.223 0.090 0.000 2.079 439 L HA -0.196 4.144 4.340 0.000 0.000 0.210 439 L C 1.609 178.547 176.870 0.114 0.000 1.081 439 L CA 1.351 56.259 54.840 0.115 0.000 0.752 439 L CB -0.095 42.062 42.059 0.164 0.000 0.896 439 L HN 0.317 nan 8.230 nan 0.000 0.433 440 E N 0.005 120.263 120.200 0.097 0.000 2.476 440 E HA -0.033 4.317 4.350 0.000 0.000 0.191 440 E C 0.505 177.152 176.600 0.079 0.000 1.064 440 E CA -0.007 56.445 56.400 0.087 0.000 0.866 440 E CB 0.143 29.887 29.700 0.073 0.000 0.952 440 E HN 0.278 nan 8.360 nan 0.000 0.492 441 K N 2.010 122.460 120.400 0.083 0.000 2.267 441 K HA 0.337 4.657 4.320 0.000 0.000 0.282 441 K C -0.468 176.180 176.600 0.081 0.000 1.078 441 K CA -0.291 56.043 56.287 0.078 0.000 0.903 441 K CB 0.850 33.398 32.500 0.080 0.000 1.111 441 K HN -0.094 nan 8.250 nan 0.000 0.475 442 A N 5.208 128.071 122.820 0.072 0.000 2.498 442 A HA 0.299 4.619 4.320 0.000 0.000 0.239 442 A C -0.461 177.161 177.584 0.062 0.000 1.068 442 A CA -0.054 52.023 52.037 0.066 0.000 0.766 442 A CB 0.132 19.174 19.000 0.070 0.000 1.003 442 A HN 0.781 nan 8.150 nan 0.000 0.497 443 L N 1.800 123.042 121.223 0.032 0.000 2.381 443 L HA 0.365 4.705 4.340 0.000 0.000 0.268 443 L C -0.961 175.898 176.870 -0.018 0.000 0.997 443 L CA -1.100 53.746 54.840 0.009 0.000 0.818 443 L CB 2.118 44.152 42.059 -0.042 0.000 1.310 443 L HN 0.578 nan 8.230 nan 0.000 0.416 444 D N 1.590 121.995 120.400 0.008 0.000 2.351 444 D HA 0.379 5.019 4.640 0.000 0.000 0.251 444 D C -0.288 175.966 176.300 -0.077 0.000 1.137 444 D CA 0.021 54.026 54.000 0.009 0.000 0.879 444 D CB 1.340 42.187 40.800 0.078 0.000 1.181 444 D HN 0.584 nan 8.370 nan 0.000 0.448 445 C N 0.782 120.025 119.300 -0.094 0.000 3.213 445 C HA 0.681 5.141 4.460 0.000 0.000 0.319 445 C C -0.868 174.070 174.990 -0.085 0.000 1.386 445 C CA -0.855 58.081 59.018 -0.137 0.000 1.494 445 C CB 1.540 29.141 27.740 -0.232 0.000 1.905 445 C HN 0.496 nan 8.230 nan 0.000 0.456 446 Q N 0.689 120.438 119.800 -0.087 0.000 2.330 446 Q HA 0.706 5.046 4.340 0.000 0.000 0.269 446 Q C -1.352 174.609 176.000 -0.065 0.000 1.022 446 Q CA -0.250 55.526 55.803 -0.046 0.000 0.796 446 Q CB 2.163 30.883 28.738 -0.031 0.000 1.271 446 Q HN 0.734 nan 8.270 nan 0.000 0.450 447 I N 2.857 123.394 120.570 -0.055 0.000 2.447 447 I HA 0.192 4.362 4.170 0.000 0.000 0.287 447 I C -0.899 175.231 176.117 0.021 0.000 1.023 447 I CA -0.825 60.368 61.300 -0.178 0.000 1.083 447 I CB 1.115 38.745 38.000 -0.616 0.000 1.245 447 I HN 0.655 nan 8.210 nan 0.000 0.434 448 Y N 5.243 125.574 120.300 0.051 0.000 3.396 448 Y HA -0.262 4.288 4.550 0.000 0.000 0.214 448 Y C 1.473 177.336 175.900 -0.062 0.000 1.203 448 Y CA 1.112 59.220 58.100 0.013 0.000 1.401 448 Y CB -1.954 36.508 38.460 0.004 0.000 1.409 448 Y HN 0.987 nan 8.280 nan 0.000 0.594 449 G N -2.292 106.586 108.800 0.130 0.000 2.253 449 G HA2 -0.014 3.946 3.960 0.000 0.000 0.251 449 G HA3 -0.014 3.946 3.960 0.000 0.000 0.251 449 G C 0.437 175.351 174.900 0.023 0.000 0.998 449 G CA 0.123 45.260 45.100 0.062 0.000 0.621 449 G HN 1.538 nan 8.290 nan 0.000 0.524 450 A N -0.554 122.278 122.820 0.021 0.000 2.304 450 A HA 0.658 4.978 4.320 0.000 0.000 0.301 450 A C 0.597 178.006 177.584 -0.292 0.000 1.132 450 A CA 0.403 52.304 52.037 -0.227 0.000 0.819 450 A CB 1.061 19.830 19.000 -0.384 0.000 1.094 450 A HN 1.449 nan 8.150 nan 0.000 0.492 451 C N 2.236 121.275 119.300 -0.436 0.000 2.369 451 C HA 0.720 5.180 4.460 0.000 0.000 0.358 451 C C -1.018 173.551 174.990 -0.702 0.000 1.274 451 C CA -0.386 58.438 59.018 -0.324 0.000 1.935 451 C CB -1.381 26.319 27.740 -0.066 0.000 2.431 451 C HN 0.643 nan 8.230 nan 0.000 0.545 452 Y N 3.113 123.201 120.300 -0.353 0.000 2.425 452 Y HA 0.408 4.958 4.550 -0.000 0.000 0.344 452 Y C 0.436 176.189 175.900 -0.246 0.000 0.969 452 Y CA -0.326 57.528 58.100 -0.410 0.000 1.052 452 Y CB 1.752 39.923 38.460 -0.482 0.000 1.215 452 Y HN 0.599 nan 8.280 nan 0.000 0.451 453 S N 4.202 119.857 115.700 -0.075 0.000 2.465 453 S HA 0.662 5.132 4.470 0.000 0.000 0.279 453 S C -0.820 173.817 174.600 0.061 0.000 1.201 453 S CA -0.240 57.983 58.200 0.039 0.000 1.053 453 S CB -0.346 62.916 63.200 0.103 0.000 0.953 453 S HN 0.544 nan 8.310 nan 0.000 0.488 454 I N 3.976 124.571 120.570 0.041 0.000 2.533 454 I HA 0.315 4.485 4.170 0.000 0.000 0.290 454 I C -0.193 175.951 176.117 0.045 0.000 1.056 454 I CA -0.529 60.805 61.300 0.057 0.000 1.057 454 I CB 2.174 40.196 38.000 0.037 0.000 1.240 454 I HN 0.571 nan 8.210 nan 0.000 0.423 455 E N 7.293 127.537 120.200 0.073 0.000 2.180 455 E HA 0.141 4.491 4.350 0.000 0.000 0.283 455 E C -1.734 174.927 176.600 0.102 0.000 1.061 455 E CA -1.529 54.920 56.400 0.081 0.000 0.861 455 E CB 1.071 30.821 29.700 0.083 0.000 1.056 455 E HN 0.319 nan 8.360 nan 0.000 0.407 456 P HA -0.185 nan 4.420 nan 0.000 0.218 456 P C 1.020 178.491 177.300 0.285 0.000 1.146 456 P CA 1.052 64.248 63.100 0.160 0.000 0.813 456 P CB 0.225 31.980 31.700 0.093 0.000 0.778 457 L N -0.831 120.532 121.223 0.233 0.000 2.275 457 L HA -0.130 4.210 4.340 0.000 0.000 0.215 457 L C 1.513 178.488 176.870 0.175 0.000 1.119 457 L CA 1.158 56.142 54.840 0.240 0.000 0.790 457 L CB -0.689 41.474 42.059 0.172 0.000 0.919 457 L HN -0.038 nan 8.230 nan 0.000 0.443 458 D N -0.195 120.292 120.400 0.144 0.000 2.363 458 D HA -0.042 4.598 4.640 0.000 0.000 0.226 458 D C 2.266 178.637 176.300 0.118 0.000 1.020 458 D CA 0.412 54.471 54.000 0.098 0.000 0.892 458 D CB 0.220 41.065 40.800 0.074 0.000 0.900 458 D HN 0.310 nan 8.370 nan 0.000 0.531 459 L N 0.958 122.299 121.223 0.197 0.000 2.013 459 L HA -0.183 4.157 4.340 0.000 0.000 0.212 459 L C -0.458 176.532 176.870 0.200 0.000 1.073 459 L CA 1.591 56.568 54.840 0.229 0.000 0.753 459 L CB -1.478 40.799 42.059 0.364 0.000 0.890 459 L HN 0.071 nan 8.230 nan 0.000 0.432 460 P HA -0.184 nan 4.420 nan 0.000 0.215 460 P C 1.366 178.731 177.300 0.109 0.000 1.153 460 P CA 1.266 64.417 63.100 0.086 0.000 0.853 460 P CB 0.047 31.620 31.700 -0.211 0.000 0.788 461 Q N -0.731 119.071 119.800 0.003 0.000 2.079 461 Q HA -0.091 4.249 4.340 0.000 0.000 0.200 461 Q C 2.205 178.198 176.000 -0.011 0.000 0.974 461 Q CA 1.251 57.039 55.803 -0.025 0.000 0.840 461 Q CB -0.950 27.755 28.738 -0.056 0.000 0.898 461 Q HN 0.242 nan 8.270 nan 0.000 0.430 462 I N 0.059 120.630 120.570 0.001 0.000 2.208 462 I HA -0.289 3.881 4.170 0.000 0.000 0.245 462 I C 1.971 178.101 176.117 0.022 0.000 1.097 462 I CA 1.236 62.510 61.300 -0.044 0.000 1.363 462 I CB -0.247 37.768 38.000 0.025 0.000 1.051 462 I HN 0.197 nan 8.210 nan 0.000 0.413 463 I N 0.208 120.854 120.570 0.126 0.000 2.286 463 I HA -0.254 3.916 4.170 0.000 0.000 0.245 463 I C 2.632 178.760 176.117 0.018 0.000 1.104 463 I CA 1.227 62.606 61.300 0.131 0.000 1.397 463 I CB -0.404 37.654 38.000 0.097 0.000 1.072 463 I HN 0.268 nan 8.210 nan 0.000 0.417 464 E N 1.228 121.484 120.200 0.093 0.000 2.058 464 E HA -0.252 4.098 4.350 0.000 0.000 0.194 464 E C 2.411 179.006 176.600 -0.008 0.000 0.997 464 E CA 1.228 57.671 56.400 0.072 0.000 0.801 464 E CB 0.122 29.906 29.700 0.139 0.000 0.746 464 E HN 0.299 nan 8.360 nan 0.000 0.450 465 R N 0.175 120.650 120.500 -0.041 0.000 2.062 465 R HA -0.086 4.254 4.340 0.000 0.000 0.231 465 R C 2.592 178.821 176.300 -0.118 0.000 1.136 465 R CA 0.995 57.043 56.100 -0.087 0.000 0.948 465 R CB -0.696 29.522 30.300 -0.136 0.000 0.845 465 R HN 0.341 nan 8.270 nan 0.000 0.430 466 L N -0.500 120.627 121.223 -0.159 0.000 2.072 466 L HA -0.112 4.228 4.340 0.000 0.000 0.205 466 L C 2.121 178.740 176.870 -0.419 0.000 1.079 466 L CA 1.208 55.865 54.840 -0.304 0.000 0.752 466 L CB -0.449 41.377 42.059 -0.389 0.000 0.906 466 L HN 0.285 nan 8.230 nan 0.000 0.436 467 H N -0.786 118.213 119.070 -0.118 0.000 2.750 467 H HA 0.269 4.825 4.556 0.000 0.000 0.263 467 H C 0.981 176.227 175.328 -0.137 0.000 0.964 467 H CA 0.760 56.723 56.048 -0.142 0.000 1.205 467 H CB 0.871 30.515 29.762 -0.197 0.000 1.454 467 H HN 0.308 nan 8.280 nan 0.000 0.503 468 G N 0.986 109.769 108.800 -0.029 0.000 2.758 468 G HA2 -0.239 3.721 3.960 0.000 0.000 0.686 468 G HA3 -0.239 3.721 3.960 0.000 0.000 0.686 468 G C 0.730 175.595 174.900 -0.059 0.000 1.389 468 G CA -0.126 44.958 45.100 -0.026 0.000 0.845 468 G HN 0.258 nan 8.290 nan 0.000 0.572 469 L N 1.056 122.301 121.223 0.036 0.000 2.261 469 L HA -0.126 4.214 4.340 0.000 0.000 0.216 469 L C 3.144 180.057 176.870 0.072 0.000 1.114 469 L CA 2.177 57.108 54.840 0.150 0.000 0.777 469 L CB -0.421 41.774 42.059 0.226 0.000 0.910 469 L HN 0.937 nan 8.230 nan 0.000 0.440 470 S N -0.266 115.426 115.700 -0.013 0.000 2.474 470 S HA -0.109 4.361 4.470 0.000 0.000 0.235 470 S C 2.036 176.563 174.600 -0.121 0.000 0.997 470 S CA 0.696 58.876 58.200 -0.034 0.000 0.949 470 S CB -0.219 62.953 63.200 -0.047 0.000 0.766 470 S HN 0.359 nan 8.310 nan 0.000 0.517 471 A N 0.475 123.130 122.820 -0.275 0.000 2.121 471 A HA 0.247 4.567 4.320 0.000 0.000 0.218 471 A C 1.348 178.713 177.584 -0.365 0.000 1.154 471 A CA 0.665 52.454 52.037 -0.413 0.000 0.679 471 A CB -0.754 17.903 19.000 -0.571 0.000 0.795 471 A HN 0.594 nan 8.150 nan 0.000 0.458 472 F N -0.174 119.792 119.950 0.027 0.000 2.727 472 F HA 0.143 4.670 4.527 0.000 0.000 0.302 472 F C 1.773 177.625 175.800 0.086 0.000 1.097 472 F CA 0.521 58.565 58.000 0.073 0.000 1.330 472 F CB 0.182 39.262 39.000 0.132 0.000 1.084 472 F HN 0.260 nan 8.300 nan 0.000 0.578 473 S N -1.296 114.511 115.700 0.179 0.000 2.960 473 S HA 0.306 4.776 4.470 0.000 0.000 0.256 473 S C -0.065 174.610 174.600 0.124 0.000 1.017 473 S CA -0.382 57.918 58.200 0.167 0.000 1.144 473 S CB -0.601 62.689 63.200 0.151 0.000 1.109 473 S HN 0.045 nan 8.310 nan 0.000 0.638 474 L N 3.231 124.449 121.223 -0.008 0.000 2.426 474 L HA 0.488 4.828 4.340 0.000 0.000 0.271 474 L C 0.565 177.356 176.870 -0.132 0.000 1.169 474 L CA -0.075 54.644 54.840 -0.203 0.000 0.836 474 L CB 0.194 41.992 42.059 -0.435 0.000 1.112 474 L HN 0.674 nan 8.230 nan 0.000 0.465 475 H N -1.602 117.287 119.070 -0.301 0.000 2.933 475 H HA 0.385 4.941 4.556 0.000 0.000 0.310 475 H C -0.342 174.855 175.328 -0.218 0.000 1.351 475 H CA -0.931 55.016 56.048 -0.169 0.000 1.137 475 H CB 0.931 30.696 29.762 0.004 0.000 1.853 475 H HN 0.396 nan 8.280 nan 0.000 0.539 476 S N -0.437 115.329 115.700 0.110 0.000 3.436 476 S HA -0.240 4.230 4.470 0.000 0.000 0.393 476 S C -0.622 173.999 174.600 0.034 0.000 0.914 476 S CA 0.524 58.799 58.200 0.125 0.000 1.317 476 S CB -2.472 60.805 63.200 0.129 0.000 0.920 476 S HN 0.505 nan 8.310 nan 0.000 0.564 477 Y N 1.548 121.893 120.300 0.074 0.000 2.296 477 Y HA 0.313 4.863 4.550 0.000 0.000 0.343 477 Y C 1.457 177.412 175.900 0.091 0.000 1.292 477 Y CA 0.210 58.352 58.100 0.070 0.000 1.490 477 Y CB 0.417 38.913 38.460 0.061 0.000 1.359 477 Y HN 0.547 nan 8.280 nan 0.000 0.599 478 S N 0.899 116.755 115.700 0.260 0.000 2.580 478 S HA 0.160 4.630 4.470 0.000 0.000 0.274 478 S C -2.065 172.621 174.600 0.143 0.000 1.329 478 S CA -1.177 57.120 58.200 0.162 0.000 1.036 478 S CB 1.277 64.549 63.200 0.120 0.000 0.919 478 S HN 0.416 nan 8.310 nan 0.000 0.515 479 P HA -0.081 nan 4.420 nan 0.000 0.216 479 P C 1.727 179.070 177.300 0.072 0.000 1.154 479 P CA 1.838 64.989 63.100 0.084 0.000 0.865 479 P CB -0.448 31.292 31.700 0.066 0.000 0.789 480 G N -0.414 108.426 108.800 0.066 0.000 2.418 480 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 480 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 480 G C 1.664 176.596 174.900 0.055 0.000 1.158 480 G CA 0.929 46.059 45.100 0.049 0.000 0.771 480 G HN 0.267 nan 8.290 nan 0.000 0.545 481 E N 0.723 120.976 120.200 0.088 0.000 2.028 481 E HA -0.041 4.309 4.350 0.000 0.000 0.191 481 E C 2.473 179.121 176.600 0.079 0.000 0.988 481 E CA 0.758 57.222 56.400 0.108 0.000 0.799 481 E CB -0.432 29.392 29.700 0.206 0.000 0.755 481 E HN 0.471 nan 8.360 nan 0.000 0.447 482 I N 0.957 121.580 120.570 0.088 0.000 2.151 482 I HA -0.351 3.819 4.170 0.000 0.000 0.243 482 I C 1.997 178.138 176.117 0.041 0.000 1.080 482 I CA 1.358 62.694 61.300 0.059 0.000 1.339 482 I CB -0.547 37.503 38.000 0.084 0.000 1.039 482 I HN 0.177 nan 8.210 nan 0.000 0.409 483 N N 0.700 119.426 118.700 0.043 0.000 2.061 483 N HA -0.239 4.501 4.740 0.000 0.000 0.193 483 N C 1.889 177.406 175.510 0.012 0.000 1.030 483 N CA 1.390 54.458 53.050 0.029 0.000 0.856 483 N CB -0.504 38.000 38.487 0.029 0.000 1.023 483 N HN 0.340 nan 8.380 nan 0.000 0.424 484 R N 0.676 121.177 120.500 0.003 0.000 2.081 484 R HA -0.032 4.308 4.340 0.000 0.000 0.235 484 R C 1.873 178.142 176.300 -0.051 0.000 1.131 484 R CA 0.954 57.038 56.100 -0.027 0.000 0.960 484 R CB -0.148 30.130 30.300 -0.038 0.000 0.856 484 R HN -0.004 nan 8.270 nan 0.000 0.436 485 V N 1.003 120.893 119.914 -0.039 0.000 2.307 485 V HA -0.205 3.915 4.120 0.000 0.000 0.245 485 V C 2.489 178.571 176.094 -0.020 0.000 1.045 485 V CA 1.869 64.138 62.300 -0.051 0.000 1.024 485 V CB -0.776 31.041 31.823 -0.009 0.000 0.651 485 V HN 0.559 nan 8.190 nan 0.000 0.449 486 A N -0.406 122.418 122.820 0.006 0.000 1.892 486 A HA -0.306 4.014 4.320 0.000 0.000 0.218 486 A C 2.581 180.175 177.584 0.018 0.000 1.188 486 A CA 2.603 54.654 52.037 0.023 0.000 0.631 486 A CB -1.027 17.991 19.000 0.031 0.000 0.822 486 A HN 0.504 nan 8.150 nan 0.000 0.447 487 S N -1.417 114.287 115.700 0.006 0.000 2.370 487 S HA -0.223 4.247 4.470 0.000 0.000 0.226 487 S C 2.083 176.685 174.600 0.003 0.000 1.033 487 S CA 1.696 59.900 58.200 0.006 0.000 1.011 487 S CB -0.984 62.214 63.200 -0.002 0.000 0.852 487 S HN 0.788 nan 8.310 nan 0.000 0.457 488 C N 1.333 120.619 119.300 -0.023 0.000 2.446 488 C HA 0.098 4.558 4.460 0.000 0.000 0.277 488 C C 2.514 177.503 174.990 -0.002 0.000 1.275 488 C CA 0.776 59.773 59.018 -0.035 0.000 1.727 488 C CB -1.701 25.977 27.740 -0.104 0.000 2.010 488 C HN 0.684 nan 8.230 nan 0.000 0.486 489 L N 0.351 121.579 121.223 0.008 0.000 2.083 489 L HA -0.123 4.217 4.340 0.000 0.000 0.209 489 L C 3.032 179.928 176.870 0.043 0.000 1.083 489 L CA 1.643 56.506 54.840 0.038 0.000 0.752 489 L CB -0.925 41.174 42.059 0.067 0.000 0.899 489 L HN 0.386 nan 8.230 nan 0.000 0.433 490 R N 0.305 120.836 120.500 0.051 0.000 2.080 490 R HA -0.195 4.145 4.340 0.000 0.000 0.236 490 R C 2.412 178.790 176.300 0.131 0.000 1.137 490 R CA 1.470 57.616 56.100 0.077 0.000 0.943 490 R CB -0.287 30.051 30.300 0.063 0.000 0.846 490 R HN 0.278 nan 8.270 nan 0.000 0.431 491 K N 0.873 121.335 120.400 0.103 0.000 2.032 491 K HA -0.144 4.176 4.320 0.000 0.000 0.209 491 K C 1.934 178.676 176.600 0.236 0.000 1.048 491 K CA 1.406 57.772 56.287 0.132 0.000 0.927 491 K CB -0.037 32.506 32.500 0.072 0.000 0.712 491 K HN 0.156 nan 8.250 nan 0.000 0.441 492 L N -0.632 120.675 121.223 0.140 0.000 2.509 492 L HA 0.120 4.460 4.340 0.000 0.000 0.222 492 L C 0.808 177.621 176.870 -0.094 0.000 1.123 492 L CA 0.394 55.299 54.840 0.109 0.000 0.856 492 L CB 0.239 42.334 42.059 0.061 0.000 0.985 492 L HN 0.512 nan 8.230 nan 0.000 0.456 493 G N 1.215 109.881 108.800 -0.224 0.000 2.289 493 G HA2 -0.214 3.746 3.960 0.000 0.000 0.280 493 G HA3 -0.214 3.746 3.960 0.000 0.000 0.280 493 G C -0.146 174.627 174.900 -0.212 0.000 1.089 493 G CA -0.034 44.748 45.100 -0.530 0.000 0.939 493 G HN 0.072 nan 8.290 nan 0.000 0.499 494 V N 0.797 120.686 119.914 -0.042 0.000 2.509 494 V HA 0.421 4.541 4.120 0.000 0.000 0.284 494 V C -1.122 175.043 176.094 0.118 0.000 1.047 494 V CA -1.589 60.766 62.300 0.093 0.000 0.952 494 V CB 1.507 33.425 31.823 0.159 0.000 0.988 494 V HN 0.248 nan 8.190 nan 0.000 0.469 495 P HA 0.087 nan 4.420 nan 0.000 0.266 495 P C -2.469 174.928 177.300 0.162 0.000 1.193 495 P CA -0.550 62.551 63.100 0.003 0.000 0.770 495 P CB -0.184 31.329 31.700 -0.310 0.000 0.836 496 P HA 0.076 nan 4.420 nan 0.000 0.274 496 P C 0.916 178.368 177.300 0.253 0.000 1.237 496 P CA -0.074 63.119 63.100 0.154 0.000 0.793 496 P CB 0.748 32.495 31.700 0.078 0.000 0.977 497 L N 1.103 122.494 121.223 0.279 0.000 2.129 497 L HA -0.241 4.100 4.340 0.000 0.000 0.212 497 L C 2.765 179.822 176.870 0.311 0.000 1.087 497 L CA 1.814 56.855 54.840 0.335 0.000 0.757 497 L CB -0.841 41.334 42.059 0.193 0.000 0.896 497 L HN 0.476 nan 8.230 nan 0.000 0.434 498 R N -0.541 120.078 120.500 0.198 0.000 2.120 498 R HA -0.096 4.244 4.340 0.000 0.000 0.234 498 R C 2.016 178.396 176.300 0.134 0.000 1.123 498 R CA 1.284 57.480 56.100 0.160 0.000 0.975 498 R CB -0.989 29.367 30.300 0.093 0.000 0.866 498 R HN 0.150 nan 8.270 nan 0.000 0.446 499 V N 0.514 120.457 119.914 0.047 0.000 2.358 499 V HA -0.169 3.951 4.120 0.000 0.000 0.246 499 V C 1.925 178.001 176.094 -0.029 0.000 1.047 499 V CA 1.644 63.894 62.300 -0.082 0.000 1.035 499 V CB -0.629 31.025 31.823 -0.282 0.000 0.658 499 V HN 0.367 nan 8.190 nan 0.000 0.452 500 W N 0.176 121.585 121.300 0.182 0.000 2.363 500 W HA -0.125 4.536 4.660 0.000 0.000 0.296 500 W C 2.735 179.466 176.519 0.354 0.000 1.212 500 W CA 1.502 58.998 57.345 0.251 0.000 1.260 500 W CB -0.284 29.320 29.460 0.240 0.000 1.131 500 W HN 0.052 nan 8.180 nan 0.000 0.530 501 R N -0.222 120.623 120.500 0.575 0.000 2.091 501 R HA -0.246 4.094 4.340 0.000 0.000 0.238 501 R C 2.075 178.490 176.300 0.191 0.000 1.136 501 R CA 2.193 58.562 56.100 0.448 0.000 0.959 501 R CB -0.725 29.819 30.300 0.406 0.000 0.856 501 R HN 0.260 nan 8.270 nan 0.000 0.437 502 H N 0.220 119.344 119.070 0.090 0.000 2.290 502 H HA -0.073 4.483 4.556 0.000 0.000 0.298 502 H C 2.116 177.429 175.328 -0.026 0.000 1.087 502 H CA 2.385 58.434 56.048 0.003 0.000 1.291 502 H CB 0.055 29.804 29.762 -0.023 0.000 1.369 502 H HN 0.131 nan 8.280 nan 0.000 0.492 503 R N -0.208 120.328 120.500 0.060 0.000 2.091 503 R HA -0.128 4.212 4.340 0.000 0.000 0.238 503 R C 2.564 178.820 176.300 -0.073 0.000 1.136 503 R CA 1.087 57.182 56.100 -0.008 0.000 0.959 503 R CB -0.396 29.947 30.300 0.071 0.000 0.856 503 R HN 0.433 nan 8.270 nan 0.000 0.437 504 A N 1.146 123.965 122.820 -0.002 0.000 1.933 504 A HA -0.177 4.143 4.320 0.000 0.000 0.218 504 A C 2.056 179.377 177.584 -0.439 0.000 1.175 504 A CA 1.196 53.092 52.037 -0.235 0.000 0.628 504 A CB -0.366 18.554 19.000 -0.133 0.000 0.814 504 A HN 0.229 nan 8.150 nan 0.000 0.444 505 R N -0.655 119.646 120.500 -0.331 0.000 2.083 505 R HA -0.130 4.210 4.340 0.000 0.000 0.237 505 R C 2.696 178.812 176.300 -0.307 0.000 1.137 505 R CA 1.610 57.519 56.100 -0.318 0.000 0.951 505 R CB -0.499 29.636 30.300 -0.275 0.000 0.851 505 R HN 0.592 nan 8.270 nan 0.000 0.434 506 S N 0.328 115.845 115.700 -0.304 0.000 2.348 506 S HA -0.120 4.350 4.470 0.000 0.000 0.221 506 S C 2.095 176.549 174.600 -0.244 0.000 1.033 506 S CA 1.505 59.558 58.200 -0.245 0.000 1.010 506 S CB -0.218 62.851 63.200 -0.218 0.000 0.891 506 S HN 0.125 nan 8.310 nan 0.000 0.442 507 V N 2.706 122.431 119.914 -0.315 0.000 2.255 507 V HA -0.192 3.928 4.120 0.000 0.000 0.247 507 V C 2.758 178.583 176.094 -0.449 0.000 1.051 507 V CA 2.391 64.461 62.300 -0.384 0.000 1.018 507 V CB -0.937 30.564 31.823 -0.537 0.000 0.641 507 V HN 0.536 nan 8.190 nan 0.000 0.445 508 R N 0.314 120.456 120.500 -0.596 0.000 2.094 508 R HA -0.230 4.110 4.340 0.000 0.000 0.239 508 R C 2.315 178.498 176.300 -0.196 0.000 1.137 508 R CA 2.054 57.937 56.100 -0.363 0.000 0.943 508 R CB -0.581 29.541 30.300 -0.298 0.000 0.850 508 R HN 0.477 nan 8.270 nan 0.000 0.433 509 A N 1.038 123.744 122.820 -0.190 0.000 1.908 509 A HA -0.187 4.133 4.320 0.000 0.000 0.218 509 A C 2.232 179.758 177.584 -0.096 0.000 1.181 509 A CA 1.670 53.630 52.037 -0.128 0.000 0.627 509 A CB -0.503 18.420 19.000 -0.129 0.000 0.818 509 A HN 0.423 nan 8.150 nan 0.000 0.445 510 R N -0.648 119.790 120.500 -0.104 0.000 2.083 510 R HA -0.074 4.266 4.340 0.000 0.000 0.237 510 R C 2.112 178.393 176.300 -0.032 0.000 1.137 510 R CA 1.572 57.634 56.100 -0.062 0.000 0.951 510 R CB -0.563 29.701 30.300 -0.061 0.000 0.851 510 R HN 0.510 nan 8.270 nan 0.000 0.434 511 L N 0.571 121.772 121.223 -0.037 0.000 2.017 511 L HA -0.210 4.130 4.340 0.000 0.000 0.208 511 L C 2.385 179.259 176.870 0.007 0.000 1.073 511 L CA 1.262 56.108 54.840 0.011 0.000 0.745 511 L CB -0.450 41.620 42.059 0.019 0.000 0.894 511 L HN 0.209 nan 8.230 nan 0.000 0.432 512 L N -1.079 120.131 121.223 -0.021 0.000 2.043 512 L HA -0.255 4.085 4.340 0.000 0.000 0.212 512 L C 2.716 179.579 176.870 -0.011 0.000 1.075 512 L CA 1.174 56.002 54.840 -0.019 0.000 0.752 512 L CB -0.632 41.403 42.059 -0.040 0.000 0.891 512 L HN 0.194 nan 8.230 nan 0.000 0.432 513 S N -0.669 115.021 115.700 -0.017 0.000 2.387 513 S HA -0.212 4.258 4.470 0.000 0.000 0.230 513 S C 1.904 176.506 174.600 0.003 0.000 1.035 513 S CA 1.210 59.404 58.200 -0.011 0.000 1.014 513 S CB -0.197 62.993 63.200 -0.016 0.000 0.836 513 S HN 0.474 nan 8.310 nan 0.000 0.466 514 Q N 0.376 120.185 119.800 0.015 0.000 2.369 514 Q HA 0.145 4.485 4.340 0.000 0.000 0.206 514 Q C 1.453 177.470 176.000 0.028 0.000 0.963 514 Q CA 0.642 56.462 55.803 0.028 0.000 0.894 514 Q CB -0.638 28.128 28.738 0.047 0.000 0.965 514 Q HN 0.553 nan 8.270 nan 0.000 0.475 515 G N 0.310 109.125 108.800 0.024 0.000 2.806 515 G HA2 -0.121 3.839 3.960 0.000 0.000 0.236 515 G HA3 -0.121 3.839 3.960 0.000 0.000 0.236 515 G C 0.469 175.390 174.900 0.035 0.000 1.387 515 G CA 0.178 45.293 45.100 0.024 0.000 0.884 515 G HN 0.756 nan 8.290 nan 0.000 0.560 516 G N -0.906 107.913 108.800 0.032 0.000 2.574 516 G HA2 -0.235 3.725 3.960 0.000 0.000 0.282 516 G HA3 -0.235 3.725 3.960 0.000 0.000 0.282 516 G C 1.181 176.108 174.900 0.046 0.000 1.257 516 G CA 1.312 46.434 45.100 0.037 0.000 0.956 516 G HN 1.455 nan 8.290 nan 0.000 0.560 517 R N 0.075 120.606 120.500 0.051 0.000 2.105 517 R HA -0.047 4.293 4.340 0.000 0.000 0.239 517 R C 3.234 179.585 176.300 0.085 0.000 1.135 517 R CA 2.106 58.242 56.100 0.061 0.000 0.967 517 R CB -0.663 29.678 30.300 0.069 0.000 0.861 517 R HN 0.736 nan 8.270 nan 0.000 0.442 518 A N 1.299 124.178 122.820 0.099 0.000 1.908 518 A HA -0.161 4.159 4.320 0.000 0.000 0.218 518 A C 2.392 180.026 177.584 0.084 0.000 1.181 518 A CA 1.802 53.913 52.037 0.122 0.000 0.627 518 A CB -0.618 18.454 19.000 0.119 0.000 0.818 518 A HN 0.415 nan 8.150 nan 0.000 0.445 519 A N -1.136 121.720 122.820 0.060 0.000 1.902 519 A HA -0.085 4.236 4.320 0.000 0.000 0.217 519 A C 2.298 179.914 177.584 0.053 0.000 1.181 519 A CA 2.289 54.351 52.037 0.041 0.000 0.623 519 A CB -1.288 17.730 19.000 0.030 0.000 0.818 519 A HN 0.435 nan 8.150 nan 0.000 0.443 520 T N -0.585 114.012 114.554 0.071 0.000 2.684 520 T HA -0.219 4.131 4.350 0.000 0.000 0.267 520 T C 1.921 176.680 174.700 0.098 0.000 1.036 520 T CA 1.653 63.820 62.100 0.113 0.000 1.148 520 T CB -0.750 68.143 68.868 0.041 0.000 0.863 520 T HN 0.590 nan 8.240 nan 0.000 0.436 521 C N 1.288 120.609 119.300 0.037 0.000 2.398 521 C HA -0.039 4.421 4.460 0.000 0.000 0.276 521 C C 3.085 178.062 174.990 -0.022 0.000 1.222 521 C CA 0.620 59.608 59.018 -0.050 0.000 1.746 521 C CB -1.599 26.094 27.740 -0.077 0.000 2.039 521 C HN 0.749 nan 8.230 nan 0.000 0.470 522 G N 0.109 108.939 108.800 0.050 0.000 2.491 522 G HA2 -0.327 3.633 3.960 0.000 0.000 0.218 522 G HA3 -0.327 3.633 3.960 0.000 0.000 0.218 522 G C 1.602 176.535 174.900 0.055 0.000 1.180 522 G CA 1.392 46.553 45.100 0.102 0.000 0.774 522 G HN 0.658 nan 8.290 nan 0.000 0.562 523 K N -0.763 119.629 120.400 -0.014 0.000 2.002 523 K HA -0.108 4.212 4.320 0.000 0.000 0.209 523 K C 2.300 178.728 176.600 -0.287 0.000 1.048 523 K CA 1.499 57.698 56.287 -0.147 0.000 0.930 523 K CB -0.310 32.092 32.500 -0.164 0.000 0.714 523 K HN 0.466 nan 8.250 nan 0.000 0.438 524 Y N 0.546 120.657 120.300 -0.316 0.000 2.231 524 Y HA -0.004 4.546 4.550 0.000 0.000 0.294 524 Y C 2.071 177.670 175.900 -0.501 0.000 1.120 524 Y CA 0.691 58.411 58.100 -0.633 0.000 1.141 524 Y CB -0.016 37.737 38.460 -1.179 0.000 1.022 524 Y HN -0.049 nan 8.280 nan 0.000 0.523 525 L N -1.584 119.489 121.223 -0.251 0.000 2.201 525 L HA -0.155 4.185 4.340 0.000 0.000 0.212 525 L C 0.720 177.353 176.870 -0.394 0.000 1.105 525 L CA 1.343 56.000 54.840 -0.305 0.000 0.775 525 L CB -0.335 41.342 42.059 -0.637 0.000 0.913 525 L HN 0.208 nan 8.230 nan 0.000 0.440 526 F N -1.641 118.292 119.950 -0.029 0.000 2.698 526 F HA 0.176 4.703 4.527 0.000 0.000 0.304 526 F C 1.626 177.146 175.800 -0.466 0.000 1.108 526 F CA -0.449 57.352 58.000 -0.332 0.000 1.263 526 F CB -0.498 38.297 39.000 -0.342 0.000 1.013 526 F HN -0.083 nan 8.300 nan 0.000 0.532 527 N N 1.218 119.865 118.700 -0.087 0.000 2.205 527 N HA -0.216 4.524 4.740 0.000 0.000 0.186 527 N C 2.054 177.550 175.510 -0.024 0.000 1.015 527 N CA 1.923 54.929 53.050 -0.073 0.000 0.862 527 N CB -0.223 38.241 38.487 -0.038 0.000 0.986 527 N HN 0.516 nan 8.380 nan 0.000 0.429 528 W N -0.281 121.069 121.300 0.083 0.000 2.364 528 W HA 0.030 4.690 4.660 0.000 0.000 0.281 528 W C 1.393 177.975 176.519 0.104 0.000 1.219 528 W CA 0.808 58.211 57.345 0.097 0.000 1.220 528 W CB -0.970 28.560 29.460 0.116 0.000 1.127 528 W HN 0.075 nan 8.180 nan 0.000 0.556 529 A N 1.393 123.828 122.820 -0.642 0.000 2.123 529 A HA 0.189 4.509 4.320 0.000 0.000 0.214 529 A C 1.125 178.565 177.584 -0.239 0.000 1.152 529 A CA 1.080 52.739 52.037 -0.630 0.000 0.728 529 A CB -0.831 17.547 19.000 -1.037 0.000 0.814 529 A HN 0.122 nan 8.150 nan 0.000 0.464 530 V N -3.509 116.302 119.914 -0.173 0.000 2.834 530 V HA 0.466 4.586 4.120 0.000 0.000 0.313 530 V C 0.876 176.944 176.094 -0.044 0.000 1.060 530 V CA -0.732 61.507 62.300 -0.102 0.000 0.989 530 V CB 1.514 33.270 31.823 -0.113 0.000 1.041 530 V HN 0.259 nan 8.190 nan 0.000 0.459 531 K N 0.457 120.836 120.400 -0.035 0.000 2.005 531 K HA 0.051 4.371 4.320 0.000 0.000 0.206 531 K C 1.057 177.642 176.600 -0.024 0.000 1.044 531 K CA 1.407 57.683 56.287 -0.018 0.000 0.942 531 K CB -0.061 32.430 32.500 -0.014 0.000 0.727 531 K HN 0.839 nan 8.250 nan 0.000 0.439 532 T N 1.919 116.454 114.554 -0.032 0.000 2.733 532 T HA 0.213 4.563 4.350 0.000 0.000 0.294 532 T C -1.227 173.447 174.700 -0.044 0.000 0.956 532 T CA -0.732 61.347 62.100 -0.035 0.000 0.987 532 T CB 0.406 69.254 68.868 -0.032 0.000 0.920 532 T HN -0.012 nan 8.240 nan 0.000 0.470 533 K N 4.595 124.970 120.400 -0.042 0.000 2.213 533 K HA 0.425 4.745 4.320 0.000 0.000 0.270 533 K C -0.570 175.993 176.600 -0.062 0.000 1.002 533 K CA -1.043 55.214 56.287 -0.050 0.000 0.868 533 K CB 1.428 33.911 32.500 -0.028 0.000 1.093 533 K HN 0.345 nan 8.250 nan 0.000 0.454 534 L N 2.812 123.981 121.223 -0.089 0.000 2.559 534 L HA -0.038 4.302 4.340 0.000 0.000 0.282 534 L C 0.513 177.315 176.870 -0.113 0.000 1.232 534 L CA 0.562 55.336 54.840 -0.109 0.000 0.885 534 L CB -0.323 41.644 42.059 -0.153 0.000 1.131 534 L HN 0.503 nan 8.230 nan 0.000 0.498 535 K N 3.424 123.772 120.400 -0.086 0.000 2.368 535 K HA 0.399 4.719 4.320 0.000 0.000 0.282 535 K C -1.051 175.487 176.600 -0.103 0.000 1.035 535 K CA 0.172 56.420 56.287 -0.065 0.000 0.973 535 K CB 0.287 32.767 32.500 -0.032 0.000 0.957 535 K HN 0.477 nan 8.250 nan 0.000 0.474 536 L N 4.165 125.340 121.223 -0.079 0.000 2.307 536 L HA 0.489 4.829 4.340 0.000 0.000 0.284 536 L C -0.008 176.924 176.870 0.105 0.000 1.023 536 L CA -0.807 53.975 54.840 -0.097 0.000 0.810 536 L CB 1.816 43.794 42.059 -0.135 0.000 1.231 536 L HN 0.855 nan 8.230 nan 0.000 0.423 537 T N 0.028 114.702 114.554 0.201 0.000 2.907 537 T HA 0.586 4.936 4.350 0.000 0.000 0.292 537 T C -2.772 172.057 174.700 0.214 0.000 1.043 537 T CA -2.392 59.815 62.100 0.177 0.000 1.003 537 T CB 1.861 70.793 68.868 0.107 0.000 1.084 537 T HN 0.171 nan 8.240 nan 0.000 0.483 538 P HA 0.116 nan 4.420 nan 0.000 0.261 538 P C -0.439 176.874 177.300 0.022 0.000 1.165 538 P CA 0.156 63.297 63.100 0.070 0.000 0.759 538 P CB -0.007 31.721 31.700 0.046 0.000 0.772 539 I N 6.820 127.352 120.570 -0.065 0.000 2.452 539 I HA 0.057 4.227 4.170 0.000 0.000 0.287 539 I C -1.075 175.007 176.117 -0.059 0.000 1.079 539 I CA -1.574 59.656 61.300 -0.117 0.000 1.387 539 I CB 0.820 38.664 38.000 -0.260 0.000 1.404 539 I HN 0.356 nan 8.210 nan 0.000 0.522 540 P HA -0.227 nan 4.420 nan 0.000 0.216 540 P C 1.300 178.582 177.300 -0.030 0.000 1.153 540 P CA 1.209 64.296 63.100 -0.021 0.000 0.858 540 P CB 0.212 31.906 31.700 -0.010 0.000 0.789 541 A N -0.569 122.228 122.820 -0.038 0.000 2.168 541 A HA 0.081 4.401 4.320 0.000 0.000 0.215 541 A C 2.205 179.760 177.584 -0.049 0.000 1.152 541 A CA 1.315 53.330 52.037 -0.038 0.000 0.716 541 A CB -1.310 17.671 19.000 -0.032 0.000 0.794 541 A HN 0.179 nan 8.150 nan 0.000 0.465 542 A N 0.642 123.427 122.820 -0.059 0.000 1.892 542 A HA -0.092 4.228 4.320 0.000 0.000 0.218 542 A C 1.844 179.386 177.584 -0.071 0.000 1.188 542 A CA 1.745 53.742 52.037 -0.067 0.000 0.631 542 A CB -0.898 18.065 19.000 -0.062 0.000 0.822 542 A HN 1.085 nan 8.150 nan 0.000 0.447 543 S N -1.703 113.963 115.700 -0.056 0.000 3.940 543 S HA 0.547 5.017 4.470 0.000 0.000 0.210 543 S C 0.033 174.602 174.600 -0.051 0.000 1.419 543 S CA 0.035 58.200 58.200 -0.057 0.000 0.912 543 S CB 0.968 64.142 63.200 -0.043 0.000 1.489 543 S HN 0.473 nan 8.310 nan 0.000 0.469 544 Q N 1.129 120.893 119.800 -0.061 0.000 1.812 544 Q HA 0.391 4.731 4.340 0.000 0.000 0.196 544 Q C -0.371 175.593 176.000 -0.059 0.000 0.679 544 Q CA -0.018 55.756 55.803 -0.049 0.000 0.793 544 Q CB 0.222 28.939 28.738 -0.036 0.000 1.215 544 Q HN 0.720 nan 8.270 nan 0.000 0.412 545 L N 2.256 123.429 121.223 -0.083 0.000 2.367 545 L HA 0.218 4.558 4.340 0.000 0.000 0.275 545 L C -0.250 176.536 176.870 -0.141 0.000 1.129 545 L CA -0.164 54.613 54.840 -0.105 0.000 0.839 545 L CB 0.654 42.630 42.059 -0.140 0.000 1.133 545 L HN 0.155 nan 8.230 nan 0.000 0.453 546 D N 3.842 124.174 120.400 -0.112 0.000 2.435 546 D HA 0.085 4.725 4.640 0.000 0.000 0.230 546 D C 0.465 176.643 176.300 -0.203 0.000 1.215 546 D CA -0.166 53.766 54.000 -0.113 0.000 0.947 546 D CB 0.841 41.612 40.800 -0.048 0.000 1.048 546 D HN 0.219 nan 8.370 nan 0.000 0.512 547 L N 2.383 123.406 121.223 -0.333 0.000 2.592 547 L HA 0.089 4.429 4.340 0.000 0.000 0.227 547 L C 0.956 177.631 176.870 -0.326 0.000 1.127 547 L CA 0.143 54.592 54.840 -0.651 0.000 0.884 547 L CB -0.905 40.707 42.059 -0.746 0.000 1.065 547 L HN 0.287 nan 8.230 nan 0.000 0.457 548 S N -0.909 114.715 115.700 -0.126 0.000 2.562 548 S HA 0.434 4.904 4.470 0.000 0.000 0.281 548 S C 1.379 176.007 174.600 0.048 0.000 1.333 548 S CA 0.161 58.349 58.200 -0.020 0.000 1.052 548 S CB 0.983 64.171 63.200 -0.020 0.000 0.884 548 S HN 0.582 nan 8.310 nan 0.000 0.506 549 G N 2.372 111.212 108.800 0.066 0.000 2.217 549 G HA2 -0.244 3.716 3.960 0.000 0.000 0.246 549 G HA3 -0.244 3.716 3.960 0.000 0.000 0.246 549 G C 0.515 175.509 174.900 0.156 0.000 0.990 549 G CA 0.317 45.432 45.100 0.026 0.000 0.627 549 G HN 0.691 nan 8.290 nan 0.000 0.522 550 W N 0.275 121.456 121.300 -0.199 0.000 2.407 550 W HA 0.456 5.116 4.660 -0.000 0.000 0.305 550 W C 1.225 177.333 176.519 -0.686 0.000 1.196 550 W CA 1.366 58.372 57.345 -0.566 0.000 1.311 550 W CB -0.356 28.532 29.460 -0.953 0.000 1.135 550 W HN 0.199 nan 8.180 nan 0.000 0.514 551 F N -0.687 119.450 119.950 0.313 0.000 2.523 551 F HA 0.319 4.845 4.527 -0.000 0.000 0.322 551 F C 0.531 176.466 175.800 0.225 0.000 1.361 551 F CA -0.459 57.722 58.000 0.302 0.000 1.151 551 F CB -0.177 38.964 39.000 0.235 0.000 1.391 551 F HN -0.393 nan 8.300 nan 0.000 0.566 552 V N 0.070 120.185 119.914 0.334 0.000 2.911 552 V HA 0.607 4.727 4.120 0.000 0.000 0.237 552 V C 0.903 177.153 176.094 0.260 0.000 1.156 552 V CA 0.708 63.151 62.300 0.239 0.000 1.180 552 V CB 0.525 32.459 31.823 0.186 0.000 0.932 552 V HN 0.432 nan 8.190 nan 0.000 0.483 553 A N -0.838 122.119 122.820 0.229 0.000 2.602 553 A HA 0.778 5.098 4.320 0.000 0.000 0.290 553 A C -0.328 176.976 177.584 -0.468 0.000 1.114 553 A CA 0.095 52.125 52.037 -0.012 0.000 0.683 553 A CB 1.097 19.971 19.000 -0.210 0.000 1.281 553 A HN 0.389 nan 8.150 nan 0.000 0.416 554 G N -1.339 106.833 108.800 -1.047 0.000 2.389 554 G HA2 0.556 4.516 3.960 0.000 0.000 0.317 554 G HA3 0.556 4.516 3.960 0.000 0.000 0.317 554 G C -0.940 173.296 174.900 -1.106 0.000 1.137 554 G CA -0.152 44.033 45.100 -1.525 0.000 0.870 554 G HN 0.633 nan 8.290 nan 0.000 0.496 555 Y N 0.557 120.658 120.300 -0.332 0.000 2.777 555 Y HA 0.288 4.838 4.550 0.000 0.000 0.248 555 Y C 1.268 177.097 175.900 -0.118 0.000 1.127 555 Y CA -0.778 57.225 58.100 -0.162 0.000 1.149 555 Y CB 0.477 38.868 38.460 -0.116 0.000 1.230 555 Y HN 0.518 nan 8.280 nan 0.000 0.586 556 S N 0.942 116.619 115.700 -0.038 0.000 2.673 556 S HA 0.282 4.752 4.470 0.000 0.000 0.308 556 S C 1.499 176.124 174.600 0.041 0.000 1.246 556 S CA 1.536 59.745 58.200 0.014 0.000 1.077 556 S CB 0.001 63.216 63.200 0.024 0.000 0.814 556 S HN 1.108 nan 8.310 nan 0.000 0.503 557 G N 3.634 112.459 108.800 0.041 0.000 2.184 557 G HA2 -0.241 3.719 3.960 0.000 0.000 0.264 557 G HA3 -0.241 3.719 3.960 0.000 0.000 0.264 557 G C 0.864 175.797 174.900 0.056 0.000 0.975 557 G CA 0.424 45.553 45.100 0.049 0.000 0.642 557 G HN 1.423 nan 8.290 nan 0.000 0.536 558 G N -0.054 108.784 108.800 0.065 0.000 2.920 558 G HA2 0.364 4.324 3.960 0.000 0.000 0.208 558 G HA3 0.364 4.324 3.960 0.000 0.000 0.208 558 G C 0.517 175.438 174.900 0.035 0.000 1.159 558 G CA 1.152 46.306 45.100 0.089 0.000 0.784 558 G HN 1.350 nan 8.290 nan 0.000 0.535 559 D N -0.536 119.853 120.400 -0.019 0.000 2.705 559 D HA -0.167 4.473 4.640 0.000 0.000 0.240 559 D C -0.166 176.064 176.300 -0.116 0.000 1.137 559 D CA 0.329 54.291 54.000 -0.064 0.000 0.677 559 D CB -1.241 39.536 40.800 -0.037 0.000 1.049 559 D HN 0.110 nan 8.370 nan 0.000 0.427 560 I N 1.445 121.903 120.570 -0.186 0.000 2.404 560 I HA 0.378 4.548 4.170 0.000 0.000 0.293 560 I C -0.140 175.731 176.117 -0.410 0.000 0.992 560 I CA -0.806 60.270 61.300 -0.374 0.000 1.149 560 I CB 1.256 38.870 38.000 -0.643 0.000 1.315 560 I HN 0.138 nan 8.210 nan 0.000 0.446 561 Y N 5.808 125.771 120.300 -0.561 0.000 2.361 561 Y HA 0.484 5.034 4.550 0.000 0.000 0.337 561 Y C -0.580 175.008 175.900 -0.520 0.000 0.965 561 Y CA -0.347 57.448 58.100 -0.508 0.000 1.091 561 Y CB 1.223 39.490 38.460 -0.322 0.000 1.182 561 Y HN 0.635 nan 8.280 nan 0.000 0.450 562 H N 0.000 118.474 119.070 -0.994 0.000 2.539 562 H HA 0.000 4.556 4.556 0.000 0.000 0.296 562 H CA 0.000 55.594 56.048 -0.756 0.000 1.023 562 H CB 0.000 29.253 29.762 -0.848 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496