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 2ic0_1_A DATA FIRST_RESID 1 DATA SEQUENCE SAVKAARYGK DNVRVYKVHK DEKTGVQTVY EMTVCVLLEG EIETSYTKAD DATA SEQUENCE NSVIVATDSI KNTIYITAKQ NPVTPPELFG SILGTHFIEK YNHIHAAHVN DATA SEQUENCE IVCHRWTRMD IDGKPHPHSF IRDSEEKRNV QVDVVEGKGI DIKSSLSGLT DATA SEQUENCE VLKSTNSQFW GFLRDEYTTL KETWDRILST DVDATWQWKN FSGLQEVRSH DATA SEQUENCE VPKFDATWAT AREVTLKTFA EDNSASVQAT MYKMAEQILA RQQLIETVEY DATA SEQUENCE SLPNKHYFEI DLSWHKGLQN TGKNAEVFAP QSDPNGLIKC TVGRS 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 0.000 174.594 174.600 -0.010 0.000 1.055 1 S CA 0.000 58.195 58.200 -0.009 0.000 1.107 1 S CB 0.000 63.195 63.200 -0.009 0.000 0.593 2 A N 0.792 123.601 122.820 -0.018 0.000 2.539 2 A HA 0.792 5.112 4.320 -0.000 0.000 0.296 2 A C -0.831 176.726 177.584 -0.044 0.000 1.073 2 A CA -0.799 51.224 52.037 -0.023 0.000 0.700 2 A CB 1.657 20.646 19.000 -0.018 0.000 1.296 2 A HN 1.498 nan 8.150 nan 0.000 0.405 3 V N 3.598 123.477 119.914 -0.058 0.000 2.446 3 V HA 0.094 4.214 4.120 -0.000 0.000 0.276 3 V C 0.819 176.862 176.094 -0.085 0.000 1.030 3 V CA 0.138 62.372 62.300 -0.110 0.000 1.033 3 V CB 0.525 32.251 31.823 -0.161 0.000 0.993 3 V HN 0.912 nan 8.190 nan 0.000 0.477 4 K N 3.481 123.829 120.400 -0.086 0.000 2.284 4 K HA 0.403 4.723 4.320 -0.000 0.000 0.198 4 K C 0.518 177.081 176.600 -0.062 0.000 1.048 4 K CA 0.831 57.082 56.287 -0.060 0.000 0.987 4 K CB 0.611 33.082 32.500 -0.049 0.000 0.800 4 K HN 0.731 nan 8.250 nan 0.000 0.486 5 A N 0.206 122.970 122.820 -0.094 0.000 2.589 5 A HA 0.736 5.056 4.320 -0.000 0.000 0.296 5 A C -1.709 175.791 177.584 -0.139 0.000 1.062 5 A CA -0.296 51.693 52.037 -0.081 0.000 0.686 5 A CB 1.678 20.643 19.000 -0.059 0.000 1.282 5 A HN 0.068 nan 8.150 nan 0.000 0.404 6 A N 1.424 124.187 122.820 -0.095 0.000 2.540 6 A HA 0.909 5.229 4.320 -0.000 0.000 0.297 6 A C -0.658 176.967 177.584 0.067 0.000 1.056 6 A CA -0.302 51.670 52.037 -0.109 0.000 0.700 6 A CB 1.287 20.100 19.000 -0.310 0.000 1.280 6 A HN 1.887 nan 8.150 nan 0.000 0.398 7 R N 0.427 121.008 120.500 0.137 0.000 2.680 7 R HA 0.829 5.169 4.340 -0.000 0.000 0.269 7 R C -1.539 174.922 176.300 0.268 0.000 1.026 7 R CA -0.771 55.440 56.100 0.186 0.000 0.889 7 R CB 1.397 31.751 30.300 0.090 0.000 1.241 7 R HN 1.553 nan 8.270 nan 0.000 0.463 8 Y N -1.124 119.192 120.300 0.027 0.000 2.624 8 Y HA 0.829 5.379 4.550 -0.000 0.000 0.334 8 Y C -0.700 175.161 175.900 -0.066 0.000 1.155 8 Y CA -0.186 57.915 58.100 0.001 0.000 1.046 8 Y CB 1.350 39.821 38.460 0.017 0.000 1.316 8 Y HN 1.111 nan 8.280 nan 0.000 0.457 9 G N 1.785 110.368 108.800 -0.361 0.000 2.441 9 G HA2 0.415 4.375 3.960 -0.000 0.000 0.225 9 G HA3 0.415 4.375 3.960 -0.000 0.000 0.225 9 G C -2.154 172.635 174.900 -0.186 0.000 1.200 9 G CA -1.077 43.749 45.100 -0.455 0.000 0.947 9 G HN 0.610 nan 8.290 nan 0.000 0.484 10 K N 0.364 120.659 120.400 -0.176 0.000 2.324 10 K HA 0.653 4.973 4.320 -0.000 0.000 0.253 10 K C -1.606 174.950 176.600 -0.074 0.000 0.932 10 K CA -0.648 55.582 56.287 -0.094 0.000 0.799 10 K CB 1.950 34.396 32.500 -0.091 0.000 1.154 10 K HN 0.503 nan 8.250 nan 0.000 0.425 11 D N 1.484 121.861 120.400 -0.039 0.000 2.374 11 D HA 0.409 5.049 4.640 -0.000 0.000 0.239 11 D C -0.577 175.722 176.300 -0.002 0.000 0.991 11 D CA 0.113 54.100 54.000 -0.022 0.000 0.960 11 D CB 0.819 41.610 40.800 -0.015 0.000 1.284 11 D HN 0.627 nan 8.370 nan 0.000 0.512 12 N N 0.587 119.294 118.700 0.013 0.000 2.754 12 N HA -0.133 4.607 4.740 -0.000 0.000 0.248 12 N C -0.833 174.706 175.510 0.048 0.000 1.093 12 N CA 0.375 53.446 53.050 0.035 0.000 0.699 12 N CB -1.338 37.167 38.487 0.030 0.000 1.016 12 N HN 0.145 nan 8.380 nan 0.000 0.552 13 V N 1.413 121.352 119.914 0.042 0.000 2.372 13 V HA 0.135 4.255 4.120 -0.000 0.000 0.261 13 V C 1.195 177.359 176.094 0.117 0.000 1.055 13 V CA -0.171 62.162 62.300 0.056 0.000 0.930 13 V CB 0.620 32.428 31.823 -0.024 0.000 1.031 13 V HN 0.065 nan 8.190 nan 0.000 0.479 14 R N 3.625 124.218 120.500 0.155 0.000 2.308 14 R HA 0.644 4.984 4.340 -0.000 0.000 0.305 14 R C -0.988 175.460 176.300 0.247 0.000 1.053 14 R CA -0.385 55.822 56.100 0.179 0.000 0.957 14 R CB 1.515 31.895 30.300 0.135 0.000 1.022 14 R HN 0.518 nan 8.270 nan 0.000 0.461 15 V N 3.879 123.939 119.914 0.244 0.000 2.638 15 V HA 0.288 4.408 4.120 -0.000 0.000 0.306 15 V C -1.262 174.989 176.094 0.262 0.000 1.052 15 V CA -0.996 61.462 62.300 0.263 0.000 0.885 15 V CB 1.650 33.609 31.823 0.226 0.000 0.999 15 V HN 0.664 nan 8.190 nan 0.000 0.424 16 Y N 3.965 124.317 120.300 0.088 0.000 2.446 16 Y HA 0.766 5.316 4.550 0.000 0.000 0.345 16 Y C -0.501 175.419 175.900 0.034 0.000 0.984 16 Y CA -0.882 57.260 58.100 0.069 0.000 1.058 16 Y CB 1.821 40.304 38.460 0.037 0.000 1.220 16 Y HN 0.647 nan 8.280 nan 0.000 0.455 17 K N 5.235 125.412 120.400 -0.372 0.000 2.468 17 K HA 0.683 5.003 4.320 -0.000 0.000 0.252 17 K C -2.312 173.999 176.600 -0.482 0.000 0.932 17 K CA -0.924 55.200 56.287 -0.271 0.000 0.794 17 K CB 2.270 34.702 32.500 -0.113 0.000 1.241 17 K HN 0.621 nan 8.250 nan 0.000 0.428 18 V N 4.106 123.862 119.914 -0.263 0.000 2.628 18 V HA 0.418 4.538 4.120 -0.000 0.000 0.306 18 V C -1.205 174.909 176.094 0.033 0.000 1.045 18 V CA -0.443 61.753 62.300 -0.173 0.000 0.905 18 V CB 1.570 33.359 31.823 -0.057 0.000 0.997 18 V HN 0.898 nan 8.190 nan 0.000 0.436 19 H N 6.080 125.146 119.070 -0.006 0.000 2.466 19 H HA 0.530 5.086 4.556 0.000 0.000 0.338 19 H C -1.114 174.232 175.328 0.030 0.000 1.091 19 H CA -0.742 55.329 56.048 0.038 0.000 1.207 19 H CB 1.606 31.431 29.762 0.105 0.000 1.466 19 H HN 0.657 nan 8.280 nan 0.000 0.493 20 K N 4.141 124.281 120.400 -0.433 0.000 2.425 20 K HA 0.099 4.418 4.320 -0.000 0.000 0.259 20 K C -0.783 175.605 176.600 -0.354 0.000 0.978 20 K CA -0.896 55.249 56.287 -0.236 0.000 0.883 20 K CB 1.659 34.082 32.500 -0.127 0.000 1.110 20 K HN 0.506 nan 8.250 nan 0.000 0.436 21 D N 3.050 123.375 120.400 -0.124 0.000 2.358 21 D HA -0.035 4.605 4.640 -0.000 0.000 0.258 21 D C 0.734 177.017 176.300 -0.029 0.000 1.223 21 D CA 0.423 54.412 54.000 -0.018 0.000 0.886 21 D CB 0.995 41.869 40.800 0.124 0.000 1.120 21 D HN 0.571 nan 8.370 nan 0.000 0.482 22 E N 3.173 123.349 120.200 -0.041 0.000 2.077 22 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 22 E C 1.296 177.891 176.600 -0.009 0.000 0.989 22 E CA 1.117 57.499 56.400 -0.030 0.000 0.800 22 E CB 0.390 30.072 29.700 -0.030 0.000 0.746 22 E HN 0.460 nan 8.360 nan 0.000 0.452 23 K N -0.310 120.092 120.400 0.004 0.000 1.967 23 K HA -0.110 4.210 4.320 -0.000 0.000 0.212 23 K C 2.417 179.023 176.600 0.010 0.000 1.044 23 K CA 1.931 58.223 56.287 0.009 0.000 0.942 23 K CB -0.602 31.908 32.500 0.016 0.000 0.726 23 K HN 0.194 nan 8.250 nan 0.000 0.440 24 T N -2.187 112.378 114.554 0.019 0.000 2.995 24 T HA 0.069 4.419 4.350 -0.000 0.000 0.269 24 T C 1.614 176.321 174.700 0.013 0.000 1.091 24 T CA 0.905 63.015 62.100 0.016 0.000 1.128 24 T CB -0.178 68.706 68.868 0.027 0.000 0.891 24 T HN 0.513 nan 8.240 nan 0.000 0.492 25 G N 0.539 109.350 108.800 0.017 0.000 2.179 25 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.260 25 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.260 25 G C 0.128 175.055 174.900 0.045 0.000 0.977 25 G CA 0.041 45.153 45.100 0.020 0.000 0.641 25 G HN 0.745 nan 8.290 nan 0.000 0.533 26 V N 1.631 121.577 119.914 0.052 0.000 2.614 26 V HA 0.417 4.537 4.120 -0.000 0.000 0.291 26 V C 0.617 176.790 176.094 0.132 0.000 1.049 26 V CA 0.228 62.575 62.300 0.078 0.000 1.038 26 V CB 1.443 33.307 31.823 0.068 0.000 0.980 26 V HN 0.479 nan 8.190 nan 0.000 0.481 27 Q N 2.426 122.334 119.800 0.180 0.000 2.345 27 Q HA 0.639 4.979 4.340 -0.000 0.000 0.268 27 Q C -0.909 175.273 176.000 0.303 0.000 1.054 27 Q CA -0.657 55.277 55.803 0.219 0.000 0.835 27 Q CB 2.441 31.308 28.738 0.216 0.000 1.339 27 Q HN 0.740 nan 8.270 nan 0.000 0.447 28 T N 0.939 115.597 114.554 0.173 0.000 2.881 28 T HA 0.495 4.845 4.350 -0.000 0.000 0.290 28 T C -0.567 173.868 174.700 -0.442 0.000 1.000 28 T CA -0.694 61.375 62.100 -0.051 0.000 0.978 28 T CB 1.442 70.258 68.868 -0.087 0.000 0.997 28 T HN 0.472 nan 8.240 nan 0.000 0.443 29 V N 0.897 120.274 119.914 -0.894 0.000 2.769 29 V HA 0.857 4.977 4.120 -0.000 0.000 0.312 29 V C -1.777 173.691 176.094 -1.043 0.000 1.058 29 V CA -1.000 60.715 62.300 -0.975 0.000 0.952 29 V CB 1.307 32.491 31.823 -1.066 0.000 1.019 29 V HN 0.832 nan 8.190 nan 0.000 0.445 30 Y N 0.943 120.998 120.300 -0.407 0.000 2.406 30 Y HA 0.743 5.293 4.550 -0.000 0.000 0.340 30 Y C -0.066 175.776 175.900 -0.097 0.000 0.975 30 Y CA -0.549 57.437 58.100 -0.190 0.000 1.056 30 Y CB 2.127 40.457 38.460 -0.217 0.000 1.210 30 Y HN 0.882 nan 8.280 nan 0.000 0.448 31 E N 4.107 124.455 120.200 0.247 0.000 2.256 31 E HA 0.734 5.084 4.350 -0.000 0.000 0.268 31 E C -1.554 175.218 176.600 0.287 0.000 0.877 31 E CA -0.643 55.950 56.400 0.320 0.000 0.757 31 E CB 1.403 31.424 29.700 0.536 0.000 1.183 31 E HN 0.739 nan 8.360 nan 0.000 0.418 32 M N 1.363 121.119 119.600 0.259 0.000 2.631 32 M HA 0.439 4.919 4.480 -0.000 0.000 0.288 32 M C -1.018 175.423 176.300 0.234 0.000 1.260 32 M CA -0.866 54.534 55.300 0.167 0.000 0.842 32 M CB 2.729 35.362 32.600 0.056 0.000 1.743 32 M HN 0.320 nan 8.290 nan 0.000 0.461 33 T N 1.378 116.031 114.554 0.164 0.000 2.824 33 T HA 0.683 5.033 4.350 -0.000 0.000 0.282 33 T C -0.942 173.806 174.700 0.081 0.000 0.993 33 T CA -0.592 61.607 62.100 0.165 0.000 0.967 33 T CB 1.695 70.691 68.868 0.214 0.000 0.960 33 T HN 0.384 nan 8.240 nan 0.000 0.441 34 V N 2.075 122.035 119.914 0.077 0.000 2.680 34 V HA 0.668 4.788 4.120 -0.000 0.000 0.309 34 V C -0.334 175.769 176.094 0.015 0.000 1.052 34 V CA -0.878 61.454 62.300 0.053 0.000 0.908 34 V CB 1.900 33.777 31.823 0.090 0.000 1.001 34 V HN 1.083 nan 8.190 nan 0.000 0.431 35 C N 4.981 124.276 119.300 -0.008 0.000 2.482 35 C HA 0.878 5.338 4.460 -0.000 0.000 0.317 35 C C -0.827 174.126 174.990 -0.061 0.000 1.197 35 C CA -0.137 58.859 59.018 -0.036 0.000 1.432 35 C CB 0.758 28.479 27.740 -0.031 0.000 2.062 35 C HN 0.737 nan 8.230 nan 0.000 0.471 36 V N 7.227 127.075 119.914 -0.110 0.000 2.525 36 V HA 0.528 4.648 4.120 -0.000 0.000 0.299 36 V C -0.535 175.408 176.094 -0.251 0.000 1.034 36 V CA -0.303 61.892 62.300 -0.175 0.000 0.863 36 V CB 1.620 33.301 31.823 -0.236 0.000 0.999 36 V HN 0.824 nan 8.190 nan 0.000 0.423 37 L N 5.748 126.851 121.223 -0.201 0.000 2.365 37 L HA 0.660 5.000 4.340 -0.000 0.000 0.273 37 L C -0.784 175.949 176.870 -0.227 0.000 1.000 37 L CA -0.541 54.167 54.840 -0.220 0.000 0.819 37 L CB 2.085 44.104 42.059 -0.067 0.000 1.284 37 L HN 0.398 nan 8.230 nan 0.000 0.418 38 L N 2.141 123.138 121.223 -0.376 0.000 2.334 38 L HA 0.610 4.950 4.340 -0.000 0.000 0.272 38 L C -0.408 176.422 176.870 -0.068 0.000 1.020 38 L CA -0.684 53.972 54.840 -0.308 0.000 0.812 38 L CB 2.024 43.792 42.059 -0.484 0.000 1.264 38 L HN 0.597 nan 8.230 nan 0.000 0.439 39 E N 0.088 120.271 120.200 -0.028 0.000 2.343 39 E HA 0.781 5.131 4.350 -0.000 0.000 0.270 39 E C -0.429 176.179 176.600 0.013 0.000 0.895 39 E CA -0.657 55.782 56.400 0.066 0.000 0.767 39 E CB 2.841 32.610 29.700 0.115 0.000 1.248 39 E HN 0.780 nan 8.360 nan 0.000 0.440 40 G N 0.884 109.716 108.800 0.053 0.000 2.441 40 G HA2 0.013 3.973 3.960 -0.000 0.000 0.225 40 G HA3 0.013 3.973 3.960 -0.000 0.000 0.225 40 G C -1.284 173.677 174.900 0.101 0.000 1.200 40 G CA -0.860 44.245 45.100 0.008 0.000 0.947 40 G HN 0.417 nan 8.290 nan 0.000 0.484 41 E N 1.202 121.462 120.200 0.101 0.000 1.972 41 E HA 0.305 4.655 4.350 -0.000 0.000 0.292 41 E C 0.852 177.562 176.600 0.182 0.000 1.193 41 E CA 0.020 56.520 56.400 0.167 0.000 1.228 41 E CB -0.229 29.588 29.700 0.196 0.000 1.167 41 E HN 0.473 nan 8.360 nan 0.000 0.479 42 I N -1.667 119.000 120.570 0.162 0.000 4.240 42 I HA 0.166 4.336 4.170 -0.000 0.000 0.331 42 I C 1.707 177.938 176.117 0.190 0.000 1.381 42 I CA -0.275 61.119 61.300 0.157 0.000 1.136 42 I CB 0.248 38.342 38.000 0.158 0.000 1.137 42 I HN 0.135 nan 8.210 nan 0.000 0.411 43 E N 2.622 122.925 120.200 0.171 0.000 2.130 43 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 43 E C 1.984 178.695 176.600 0.185 0.000 0.998 43 E CA 2.704 59.213 56.400 0.181 0.000 0.806 43 E CB -0.144 29.601 29.700 0.075 0.000 0.738 43 E HN 0.668 nan 8.360 nan 0.000 0.459 44 T N -1.305 113.306 114.554 0.096 0.000 2.962 44 T HA -0.134 4.216 4.350 -0.000 0.000 0.270 44 T C 2.029 176.732 174.700 0.006 0.000 1.088 44 T CA 1.216 63.343 62.100 0.045 0.000 1.127 44 T CB -0.499 68.377 68.868 0.013 0.000 0.883 44 T HN 0.267 nan 8.240 nan 0.000 0.493 45 S N 0.404 116.083 115.700 -0.035 0.000 2.402 45 S HA -0.074 4.396 4.470 -0.000 0.000 0.229 45 S C 1.725 176.182 174.600 -0.238 0.000 1.021 45 S CA 0.413 58.500 58.200 -0.188 0.000 0.974 45 S CB -0.866 62.126 63.200 -0.347 0.000 0.800 45 S HN 0.642 nan 8.310 nan 0.000 0.484 46 Y N 2.630 122.888 120.300 -0.070 0.000 2.269 46 Y HA 0.049 4.599 4.550 0.000 0.000 0.294 46 Y C 3.292 179.170 175.900 -0.038 0.000 1.120 46 Y CA 1.294 59.362 58.100 -0.053 0.000 1.159 46 Y CB -0.799 37.635 38.460 -0.043 0.000 1.024 46 Y HN 0.520 nan 8.280 nan 0.000 0.532 47 T N -3.105 111.532 114.554 0.137 0.000 3.035 47 T HA 0.066 4.416 4.350 -0.000 0.000 0.259 47 T C 1.245 175.963 174.700 0.030 0.000 1.078 47 T CA 0.618 62.761 62.100 0.071 0.000 1.132 47 T CB 0.108 69.011 68.868 0.058 0.000 0.900 47 T HN -0.015 nan 8.240 nan 0.000 0.480 48 K N 0.747 121.155 120.400 0.013 0.000 2.501 48 K HA 0.618 4.938 4.320 -0.000 0.000 0.204 48 K C 0.818 177.404 176.600 -0.023 0.000 1.067 48 K CA 0.356 56.641 56.287 -0.005 0.000 1.060 48 K CB 0.820 33.317 32.500 -0.004 0.000 0.873 48 K HN 0.410 nan 8.250 nan 0.000 0.540 49 A N 2.255 125.052 122.820 -0.038 0.000 2.783 49 A HA -0.209 4.111 4.320 -0.000 0.000 0.292 49 A C -0.103 177.441 177.584 -0.068 0.000 1.495 49 A CA 1.200 53.200 52.037 -0.062 0.000 0.787 49 A CB -2.020 16.951 19.000 -0.048 0.000 1.017 49 A HN 0.368 nan 8.150 nan 0.000 0.516 50 D N -0.047 120.311 120.400 -0.070 0.000 2.468 50 D HA 0.386 5.026 4.640 -0.000 0.000 0.218 50 D C 0.923 177.164 176.300 -0.099 0.000 1.155 50 D CA -0.404 53.554 54.000 -0.070 0.000 0.924 50 D CB 0.025 40.794 40.800 -0.052 0.000 1.029 50 D HN 0.258 nan 8.370 nan 0.000 0.515 51 N N 1.240 119.880 118.700 -0.099 0.000 2.515 51 N HA -0.120 4.620 4.740 -0.000 0.000 0.185 51 N C 1.620 177.070 175.510 -0.099 0.000 1.109 51 N CA 0.357 53.338 53.050 -0.116 0.000 0.903 51 N CB 0.108 38.535 38.487 -0.101 0.000 0.969 51 N HN 0.475 nan 8.380 nan 0.000 0.450 52 S N -0.255 115.393 115.700 -0.088 0.000 2.447 52 S HA -0.090 4.380 4.470 -0.000 0.000 0.233 52 S C 1.857 176.382 174.600 -0.124 0.000 1.006 52 S CA 0.951 59.098 58.200 -0.087 0.000 0.957 52 S CB -0.566 62.587 63.200 -0.079 0.000 0.773 52 S HN 0.167 nan 8.310 nan 0.000 0.507 53 V N -1.324 118.508 119.914 -0.136 0.000 3.541 53 V HA 0.408 4.527 4.120 -0.000 0.000 0.267 53 V C 0.527 176.631 176.094 0.016 0.000 1.213 53 V CA -0.309 61.899 62.300 -0.154 0.000 1.149 53 V CB -0.890 30.877 31.823 -0.093 0.000 0.822 53 V HN 0.357 nan 8.190 nan 0.000 0.462 54 I N 2.086 122.615 120.570 -0.069 0.000 2.312 54 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 54 I C 0.094 176.205 176.117 -0.011 0.000 1.031 54 I CA -0.474 60.768 61.300 -0.096 0.000 1.293 54 I CB 1.213 39.075 38.000 -0.229 0.000 1.403 54 I HN -0.030 nan 8.210 nan 0.000 0.484 55 V N 6.915 126.857 119.914 0.046 0.000 2.415 55 V HA 0.208 4.328 4.120 -0.000 0.000 0.267 55 V C 1.072 177.223 176.094 0.096 0.000 1.042 55 V CA -0.674 61.605 62.300 -0.036 0.000 1.000 55 V CB 0.693 32.354 31.823 -0.271 0.000 1.015 55 V HN 0.876 nan 8.190 nan 0.000 0.478 56 A N 4.383 127.238 122.820 0.057 0.000 2.531 56 A HA 0.249 4.569 4.320 -0.000 0.000 0.236 56 A C 1.708 179.343 177.584 0.084 0.000 1.062 56 A CA 0.506 52.586 52.037 0.072 0.000 0.760 56 A CB 0.135 19.158 19.000 0.040 0.000 0.995 56 A HN 1.117 nan 8.150 nan 0.000 0.501 57 T N -0.405 114.208 114.554 0.099 0.000 2.833 57 T HA -0.202 4.148 4.350 -0.000 0.000 0.269 57 T C 1.255 175.961 174.700 0.011 0.000 1.054 57 T CA 1.958 64.079 62.100 0.034 0.000 1.135 57 T CB -0.491 68.403 68.868 0.043 0.000 0.869 57 T HN 0.724 nan 8.240 nan 0.000 0.466 58 D N 1.309 121.727 120.400 0.030 0.000 2.158 58 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 58 D C 2.202 178.528 176.300 0.043 0.000 0.995 58 D CA 1.467 55.487 54.000 0.033 0.000 0.846 58 D CB -0.304 40.521 40.800 0.042 0.000 0.941 58 D HN 0.467 nan 8.370 nan 0.000 0.456 59 S N -0.597 115.139 115.700 0.060 0.000 2.402 59 S HA -0.080 4.390 4.470 -0.000 0.000 0.229 59 S C 2.063 176.737 174.600 0.123 0.000 1.021 59 S CA 0.513 58.770 58.200 0.095 0.000 0.974 59 S CB -0.203 63.066 63.200 0.115 0.000 0.800 59 S HN 0.356 nan 8.310 nan 0.000 0.484 60 I N 1.692 122.315 120.570 0.088 0.000 2.226 60 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 60 I C 2.574 178.713 176.117 0.037 0.000 1.100 60 I CA 1.217 62.583 61.300 0.111 0.000 1.374 60 I CB -0.324 37.601 38.000 -0.126 0.000 1.057 60 I HN 0.262 nan 8.210 nan 0.000 0.413 61 K N 1.266 121.631 120.400 -0.057 0.000 2.009 61 K HA -0.238 4.082 4.320 -0.000 0.000 0.210 61 K C 1.962 178.379 176.600 -0.305 0.000 1.049 61 K CA 1.936 58.099 56.287 -0.207 0.000 0.929 61 K CB -0.111 32.305 32.500 -0.140 0.000 0.714 61 K HN 0.245 nan 8.250 nan 0.000 0.440 62 N N 0.350 119.010 118.700 -0.066 0.000 2.094 62 N HA -0.145 4.595 4.740 -0.000 0.000 0.191 62 N C 1.722 177.244 175.510 0.020 0.000 1.023 62 N CA 2.010 55.090 53.050 0.050 0.000 0.857 62 N CB -0.855 37.693 38.487 0.100 0.000 1.013 62 N HN 0.297 nan 8.380 nan 0.000 0.426 63 T N 1.559 116.119 114.554 0.010 0.000 2.788 63 T HA 0.024 4.374 4.350 -0.000 0.000 0.268 63 T C 2.105 176.760 174.700 -0.075 0.000 1.044 63 T CA 0.579 62.645 62.100 -0.056 0.000 1.139 63 T CB -0.141 68.703 68.868 -0.040 0.000 0.867 63 T HN 0.202 nan 8.240 nan 0.000 0.454 64 I N -0.047 120.486 120.570 -0.061 0.000 2.226 64 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 64 I C 2.154 178.319 176.117 0.081 0.000 1.100 64 I CA 1.385 62.673 61.300 -0.021 0.000 1.374 64 I CB -0.379 37.557 38.000 -0.106 0.000 1.057 64 I HN 0.207 nan 8.210 nan 0.000 0.413 65 Y N 0.635 120.985 120.300 0.084 0.000 2.163 65 Y HA -0.164 4.386 4.550 -0.000 0.000 0.288 65 Y C 2.411 178.335 175.900 0.040 0.000 1.136 65 Y CA 0.940 59.078 58.100 0.064 0.000 1.147 65 Y CB -0.937 37.553 38.460 0.050 0.000 0.987 65 Y HN 0.067 nan 8.280 nan 0.000 0.509 66 I N -0.590 120.084 120.570 0.173 0.000 2.163 66 I HA -0.341 3.829 4.170 -0.000 0.000 0.243 66 I C 2.195 178.332 176.117 0.033 0.000 1.085 66 I CA 1.946 63.285 61.300 0.066 0.000 1.347 66 I CB -0.722 37.279 38.000 0.002 0.000 1.044 66 I HN 0.183 nan 8.210 nan 0.000 0.408 67 T N 0.660 115.221 114.554 0.012 0.000 2.746 67 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 67 T C 2.035 176.871 174.700 0.227 0.000 1.039 67 T CA 1.427 63.551 62.100 0.040 0.000 1.142 67 T CB -0.358 68.466 68.868 -0.072 0.000 0.866 67 T HN 0.490 nan 8.240 nan 0.000 0.444 68 A N 1.511 124.493 122.820 0.269 0.000 1.972 68 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 68 A C 2.184 179.777 177.584 0.015 0.000 1.169 68 A CA 1.868 53.952 52.037 0.078 0.000 0.635 68 A CB -0.456 18.548 19.000 0.007 0.000 0.810 68 A HN 0.359 nan 8.150 nan 0.000 0.446 69 K N 0.171 120.602 120.400 0.052 0.000 2.097 69 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 69 K C 1.813 178.421 176.600 0.012 0.000 1.050 69 K CA 1.799 58.101 56.287 0.025 0.000 0.938 69 K CB -0.239 32.281 32.500 0.034 0.000 0.718 69 K HN 0.604 nan 8.250 nan 0.000 0.442 70 Q N -0.273 119.540 119.800 0.020 0.000 2.319 70 Q HA 0.164 4.504 4.340 -0.000 0.000 0.202 70 Q C -0.368 175.639 176.000 0.012 0.000 0.896 70 Q CA 0.032 55.840 55.803 0.009 0.000 0.942 70 Q CB 0.542 29.278 28.738 -0.003 0.000 1.083 70 Q HN 0.239 nan 8.270 nan 0.000 0.510 71 N N 0.656 119.373 118.700 0.028 0.000 2.525 71 N HA 0.391 5.131 4.740 -0.000 0.000 0.270 71 N C -2.906 172.595 175.510 -0.014 0.000 1.321 71 N CA -1.465 51.607 53.050 0.037 0.000 0.797 71 N CB 2.060 40.615 38.487 0.114 0.000 1.529 71 N HN -0.206 nan 8.380 nan 0.000 0.491 72 P HA 0.093 nan 4.420 nan 0.000 0.274 72 P C 0.849 178.020 177.300 -0.215 0.000 1.231 72 P CA -0.366 62.652 63.100 -0.137 0.000 0.790 72 P CB 0.751 32.385 31.700 -0.110 0.000 0.951 73 V N -1.869 117.763 119.914 -0.469 0.000 3.621 73 V HA 0.227 4.347 4.120 -0.000 0.000 0.285 73 V C 0.514 176.318 176.094 -0.484 0.000 1.346 73 V CA 0.436 62.314 62.300 -0.702 0.000 1.104 73 V CB -0.298 30.988 31.823 -0.894 0.000 0.913 73 V HN 0.545 nan 8.190 nan 0.000 0.432 74 T N 2.359 116.659 114.554 -0.423 0.000 2.876 74 T HA 0.616 4.966 4.350 -0.000 0.000 0.289 74 T C -2.909 171.707 174.700 -0.140 0.000 1.014 74 T CA -1.546 60.377 62.100 -0.294 0.000 0.986 74 T CB 2.061 70.698 68.868 -0.385 0.000 1.021 74 T HN 0.327 nan 8.240 nan 0.000 0.458 75 P HA 0.286 nan 4.420 nan 0.000 0.272 75 P C -2.186 175.052 177.300 -0.103 0.000 1.230 75 P CA -1.370 61.695 63.100 -0.058 0.000 0.788 75 P CB 0.401 32.138 31.700 0.062 0.000 0.949 76 P HA -0.140 nan 4.420 nan 0.000 0.220 76 P C 1.095 178.309 177.300 -0.142 0.000 1.148 76 P CA 1.372 64.424 63.100 -0.080 0.000 0.803 76 P CB 0.171 31.814 31.700 -0.094 0.000 0.782 77 E N -0.229 119.774 120.200 -0.329 0.000 2.118 77 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 77 E C 1.968 178.291 176.600 -0.463 0.000 0.992 77 E CA 0.816 56.867 56.400 -0.580 0.000 0.804 77 E CB -1.020 27.841 29.700 -1.399 0.000 0.741 77 E HN 0.172 nan 8.360 nan 0.000 0.458 78 L N -0.443 120.586 121.223 -0.323 0.000 2.044 78 L HA -0.017 4.323 4.340 -0.000 0.000 0.205 78 L C 1.988 178.814 176.870 -0.074 0.000 1.075 78 L CA 1.447 56.195 54.840 -0.153 0.000 0.747 78 L CB -0.541 41.489 42.059 -0.048 0.000 0.903 78 L HN 0.114 nan 8.230 nan 0.000 0.435 79 F N 0.769 120.619 119.950 -0.167 0.000 2.095 79 F HA -0.068 4.459 4.527 -0.000 0.000 0.298 79 F C 2.201 177.936 175.800 -0.109 0.000 1.104 79 F CA 1.717 59.637 58.000 -0.133 0.000 1.232 79 F CB -1.054 37.863 39.000 -0.139 0.000 0.987 79 F HN 0.148 nan 8.300 nan 0.000 0.475 80 G N -0.920 107.742 108.800 -0.229 0.000 2.440 80 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 80 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 80 G C 1.821 176.579 174.900 -0.237 0.000 1.154 80 G CA 1.053 45.994 45.100 -0.265 0.000 0.767 80 G HN 0.445 nan 8.290 nan 0.000 0.552 81 S N 0.476 116.059 115.700 -0.195 0.000 2.368 81 S HA -0.030 4.440 4.470 -0.000 0.000 0.224 81 S C 2.280 176.796 174.600 -0.140 0.000 1.029 81 S CA 0.879 58.996 58.200 -0.138 0.000 0.988 81 S CB -0.210 62.916 63.200 -0.122 0.000 0.838 81 S HN 0.389 nan 8.310 nan 0.000 0.462 82 I N 1.037 121.498 120.570 -0.180 0.000 2.163 82 I HA -0.193 3.977 4.170 -0.000 0.000 0.243 82 I C 2.324 178.315 176.117 -0.210 0.000 1.085 82 I CA 0.886 62.084 61.300 -0.170 0.000 1.347 82 I CB -0.328 37.581 38.000 -0.151 0.000 1.044 82 I HN 0.232 nan 8.210 nan 0.000 0.408 83 L N 1.107 122.112 121.223 -0.363 0.000 2.017 83 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 83 L C 2.346 179.188 176.870 -0.047 0.000 1.073 83 L CA 2.259 56.910 54.840 -0.314 0.000 0.745 83 L CB -1.325 40.421 42.059 -0.521 0.000 0.894 83 L HN 0.203 nan 8.230 nan 0.000 0.432 84 G N -2.127 106.652 108.800 -0.036 0.000 2.418 84 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 84 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 84 G C 1.449 176.384 174.900 0.058 0.000 1.158 84 G CA 1.129 46.264 45.100 0.060 0.000 0.771 84 G HN 0.420 nan 8.290 nan 0.000 0.545 85 T N 0.046 114.593 114.554 -0.012 0.000 2.720 85 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 85 T C 1.993 176.662 174.700 -0.052 0.000 1.037 85 T CA 1.679 63.763 62.100 -0.027 0.000 1.144 85 T CB -0.389 68.454 68.868 -0.041 0.000 0.864 85 T HN 0.592 nan 8.240 nan 0.000 0.444 86 H N 0.580 119.547 119.070 -0.172 0.000 2.289 86 H HA -0.154 4.402 4.556 -0.000 0.000 0.294 86 H C 1.794 176.958 175.328 -0.273 0.000 1.095 86 H CA 1.992 57.867 56.048 -0.289 0.000 1.256 86 H CB -0.601 28.880 29.762 -0.469 0.000 1.359 86 H HN 0.378 nan 8.280 nan 0.000 0.487 87 F N 0.209 120.099 119.950 -0.099 0.000 2.186 87 F HA -0.089 4.438 4.527 -0.000 0.000 0.299 87 F C 2.549 178.293 175.800 -0.093 0.000 1.090 87 F CA 1.394 59.357 58.000 -0.062 0.000 1.307 87 F CB -0.455 38.564 39.000 0.031 0.000 1.019 87 F HN 0.370 nan 8.300 nan 0.000 0.489 88 I N -2.302 118.302 120.570 0.056 0.000 2.617 88 I HA -0.065 4.105 4.170 -0.000 0.000 0.256 88 I C 1.813 177.903 176.117 -0.044 0.000 1.167 88 I CA 1.388 62.696 61.300 0.014 0.000 1.469 88 I CB -0.619 37.393 38.000 0.019 0.000 1.098 88 I HN 0.065 nan 8.210 nan 0.000 0.436 89 E N 1.429 121.555 120.200 -0.123 0.000 2.122 89 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 89 E C 1.915 178.365 176.600 -0.250 0.000 0.977 89 E CA 0.742 57.050 56.400 -0.153 0.000 0.820 89 E CB 0.055 29.666 29.700 -0.149 0.000 0.770 89 E HN 0.356 nan 8.360 nan 0.000 0.462 90 K N 0.246 120.369 120.400 -0.461 0.000 2.103 90 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 90 K C -0.295 175.892 176.600 -0.688 0.000 1.052 90 K CA 0.900 56.771 56.287 -0.694 0.000 0.945 90 K CB 0.099 31.902 32.500 -1.162 0.000 0.722 90 K HN -0.031 nan 8.250 nan 0.000 0.443 91 Y N 1.057 121.294 120.300 -0.104 0.000 2.334 91 Y HA 0.339 4.889 4.550 -0.000 0.000 0.336 91 Y C 0.746 176.620 175.900 -0.043 0.000 0.960 91 Y CA -1.083 56.996 58.100 -0.034 0.000 1.164 91 Y CB 1.369 39.783 38.460 -0.077 0.000 1.155 91 Y HN -0.013 nan 8.280 nan 0.000 0.478 92 N N 1.286 120.094 118.700 0.179 0.000 2.149 92 N HA -0.212 4.528 4.740 -0.000 0.000 0.188 92 N C 1.570 177.139 175.510 0.098 0.000 1.019 92 N CA 1.623 54.758 53.050 0.141 0.000 0.857 92 N CB -0.055 38.519 38.487 0.145 0.000 0.997 92 N HN 0.789 nan 8.380 nan 0.000 0.426 93 H N -0.610 118.428 119.070 -0.054 0.000 2.539 93 H HA 0.166 4.722 4.556 0.000 0.000 0.267 93 H C 0.253 175.277 175.328 -0.506 0.000 0.982 93 H CA -0.125 55.792 56.048 -0.217 0.000 1.146 93 H CB 0.157 29.883 29.762 -0.059 0.000 1.382 93 H HN -0.006 nan 8.280 nan 0.000 0.577 94 I N 3.113 123.242 120.570 -0.736 0.000 2.315 94 I HA 0.073 4.243 4.170 -0.000 0.000 0.291 94 I C 0.488 176.345 176.117 -0.433 0.000 1.006 94 I CA -0.414 60.554 61.300 -0.553 0.000 1.265 94 I CB 1.067 38.875 38.000 -0.321 0.000 1.387 94 I HN 0.292 nan 8.210 nan 0.000 0.475 95 H N 4.463 123.508 119.070 -0.042 0.000 2.827 95 H HA 0.513 5.069 4.556 -0.000 0.000 0.269 95 H C 0.306 175.603 175.328 -0.051 0.000 1.031 95 H CA 0.028 56.061 56.048 -0.025 0.000 1.202 95 H CB 1.276 31.037 29.762 -0.001 0.000 1.511 95 H HN 0.621 nan 8.280 nan 0.000 0.517 96 A N 0.726 123.534 122.820 -0.019 0.000 2.520 96 A HA 0.757 5.077 4.320 -0.000 0.000 0.298 96 A C -1.113 176.287 177.584 -0.306 0.000 1.051 96 A CA -0.176 51.766 52.037 -0.159 0.000 0.690 96 A CB 1.546 20.456 19.000 -0.151 0.000 1.281 96 A HN 0.203 nan 8.150 nan 0.000 0.402 97 A N 1.887 124.464 122.820 -0.405 0.000 2.371 97 A HA 0.782 5.102 4.320 -0.000 0.000 0.311 97 A C -1.171 176.103 177.584 -0.516 0.000 1.068 97 A CA -0.536 51.272 52.037 -0.382 0.000 0.744 97 A CB 0.917 19.848 19.000 -0.115 0.000 1.239 97 A HN 0.836 nan 8.150 nan 0.000 0.435 98 H N 1.669 120.678 119.070 -0.102 0.000 2.646 98 H HA 0.485 5.041 4.556 -0.000 0.000 0.328 98 H C -1.246 174.023 175.328 -0.098 0.000 0.998 98 H CA -0.422 55.577 56.048 -0.083 0.000 1.225 98 H CB 1.610 31.323 29.762 -0.082 0.000 1.457 98 H HN 0.336 nan 8.280 nan 0.000 0.505 99 V N 4.266 124.186 119.914 0.010 0.000 2.444 99 V HA 0.215 4.335 4.120 -0.000 0.000 0.294 99 V C -0.087 175.992 176.094 -0.026 0.000 1.022 99 V CA -0.870 61.411 62.300 -0.031 0.000 0.850 99 V CB 1.578 33.363 31.823 -0.063 0.000 0.992 99 V HN 0.639 nan 8.190 nan 0.000 0.426 100 N N 4.371 123.054 118.700 -0.027 0.000 2.362 100 N HA 0.729 5.469 4.740 -0.000 0.000 0.298 100 N C -1.013 174.482 175.510 -0.025 0.000 1.048 100 N CA -0.356 52.674 53.050 -0.033 0.000 0.858 100 N CB 2.268 40.733 38.487 -0.037 0.000 1.218 100 N HN 0.567 nan 8.380 nan 0.000 0.488 101 I N 1.135 121.683 120.570 -0.036 0.000 2.533 101 I HA 0.358 4.528 4.170 -0.000 0.000 0.290 101 I C -0.775 175.297 176.117 -0.075 0.000 1.056 101 I CA -1.004 60.281 61.300 -0.025 0.000 1.057 101 I CB 2.228 40.234 38.000 0.010 0.000 1.240 101 I HN -0.028 nan 8.210 nan 0.000 0.423 102 V N 4.890 124.740 119.914 -0.106 0.000 2.384 102 V HA 0.321 4.441 4.120 -0.000 0.000 0.287 102 V C -0.333 175.552 176.094 -0.349 0.000 1.020 102 V CA -0.495 61.675 62.300 -0.217 0.000 0.850 102 V CB 1.532 33.220 31.823 -0.224 0.000 0.987 102 V HN 0.801 nan 8.190 nan 0.000 0.436 103 C N 4.694 123.799 119.300 -0.326 0.000 2.295 103 C HA 0.563 5.023 4.460 -0.000 0.000 0.331 103 C C 0.295 175.057 174.990 -0.380 0.000 1.280 103 C CA -0.800 58.044 59.018 -0.290 0.000 1.746 103 C CB -0.491 27.143 27.740 -0.175 0.000 2.328 103 C HN 0.889 nan 8.230 nan 0.000 0.521 104 H N 0.748 119.766 119.070 -0.088 0.000 2.472 104 H HA 0.420 4.976 4.556 0.000 0.000 0.335 104 H C 0.178 175.360 175.328 -0.244 0.000 1.136 104 H CA -0.305 55.633 56.048 -0.183 0.000 1.264 104 H CB 0.723 30.340 29.762 -0.242 0.000 1.486 104 H HN 0.491 nan 8.280 nan 0.000 0.517 105 R N 2.210 122.614 120.500 -0.159 0.000 2.267 105 R HA 0.082 4.422 4.340 -0.000 0.000 0.319 105 R C -1.007 175.140 176.300 -0.254 0.000 1.067 105 R CA 0.065 56.088 56.100 -0.130 0.000 0.936 105 R CB 0.546 30.818 30.300 -0.047 0.000 1.006 105 R HN 0.623 nan 8.270 nan 0.000 0.452 106 W N 2.279 123.594 121.300 0.025 0.000 2.466 106 W HA 0.208 4.868 4.660 0.000 0.000 0.303 106 W C -0.446 176.152 176.519 0.132 0.000 0.999 106 W CA -0.690 56.677 57.345 0.036 0.000 1.437 106 W CB 2.041 31.408 29.460 -0.155 0.000 1.274 106 W HN 0.368 nan 8.180 nan 0.000 0.417 107 T N 3.379 118.201 114.554 0.446 0.000 2.837 107 T HA 0.259 4.609 4.350 -0.000 0.000 0.285 107 T C 0.195 175.117 174.700 0.369 0.000 0.984 107 T CA -0.639 61.661 62.100 0.333 0.000 1.049 107 T CB 0.925 69.918 68.868 0.208 0.000 0.947 107 T HN 0.263 nan 8.240 nan 0.000 0.472 108 R N 3.553 124.219 120.500 0.276 0.000 2.489 108 R HA 0.201 4.541 4.340 -0.000 0.000 0.287 108 R C 0.148 176.433 176.300 -0.024 0.000 1.053 108 R CA -0.145 55.968 56.100 0.022 0.000 1.036 108 R CB 0.273 30.574 30.300 0.001 0.000 0.966 108 R HN 0.620 nan 8.270 nan 0.000 0.432 109 M N 3.224 122.749 119.600 -0.126 0.000 2.238 109 M HA 0.035 4.515 4.480 -0.000 0.000 0.347 109 M C -0.458 175.815 176.300 -0.044 0.000 1.173 109 M CA 0.395 55.653 55.300 -0.069 0.000 1.147 109 M CB 0.813 33.334 32.600 -0.132 0.000 1.547 109 M HN 0.482 nan 8.290 nan 0.000 0.455 110 D N 3.874 124.265 120.400 -0.015 0.000 2.274 110 D HA 0.386 5.026 4.640 -0.000 0.000 0.239 110 D C -0.618 175.677 176.300 -0.009 0.000 1.104 110 D CA -0.084 53.912 54.000 -0.006 0.000 0.840 110 D CB 1.327 42.130 40.800 0.005 0.000 1.100 110 D HN 0.261 nan 8.370 nan 0.000 0.477 111 I N 2.151 122.722 120.570 0.000 0.000 2.389 111 I HA 0.107 4.277 4.170 -0.000 0.000 0.288 111 I C 0.241 176.362 176.117 0.006 0.000 0.999 111 I CA -0.492 60.807 61.300 -0.002 0.000 1.129 111 I CB 1.334 39.338 38.000 0.007 0.000 1.288 111 I HN 0.328 nan 8.210 nan 0.000 0.444 112 D N 5.388 125.789 120.400 0.001 0.000 2.708 112 D HA -0.200 4.440 4.640 -0.000 0.000 0.236 112 D C 1.281 177.582 176.300 0.002 0.000 1.146 112 D CA 1.424 55.425 54.000 0.002 0.000 0.662 112 D CB -0.825 39.976 40.800 0.003 0.000 1.059 112 D HN 1.147 nan 8.370 nan 0.000 0.428 113 G N -0.327 108.475 108.800 0.002 0.000 2.212 113 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.266 113 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.266 113 G C 0.260 175.161 174.900 0.001 0.000 0.978 113 G CA 1.052 46.154 45.100 0.003 0.000 0.632 113 G HN 0.713 nan 8.290 nan 0.000 0.537 114 K N -0.118 120.280 120.400 -0.002 0.000 2.328 114 K HA 0.702 5.022 4.320 -0.000 0.000 0.246 114 K C -3.388 173.205 176.600 -0.012 0.000 0.955 114 K CA -2.437 53.845 56.287 -0.009 0.000 0.817 114 K CB 2.921 35.411 32.500 -0.017 0.000 1.208 114 K HN -0.003 nan 8.250 nan 0.000 0.432 115 P HA 0.052 nan 4.420 nan 0.000 0.276 115 P C -0.883 176.378 177.300 -0.065 0.000 1.243 115 P CA -0.031 63.050 63.100 -0.030 0.000 0.768 115 P CB 0.362 32.047 31.700 -0.025 0.000 0.856 116 H N 6.135 125.098 119.070 -0.179 0.000 2.683 116 H HA 0.095 4.650 4.556 -0.000 0.000 0.339 116 H C -1.257 173.895 175.328 -0.294 0.000 1.081 116 H CA -1.530 54.365 56.048 -0.254 0.000 1.432 116 H CB 1.138 30.709 29.762 -0.320 0.000 1.462 116 H HN 0.290 nan 8.280 nan 0.000 0.557 117 P HA -0.101 nan 4.420 nan 0.000 0.223 117 P C 0.370 177.624 177.300 -0.076 0.000 1.151 117 P CA 1.454 64.399 63.100 -0.258 0.000 0.787 117 P CB 0.251 31.817 31.700 -0.222 0.000 0.788 118 H N -3.890 115.175 119.070 -0.009 0.000 3.192 118 H HA 0.467 5.023 4.556 -0.000 0.000 0.247 118 H C -0.878 174.381 175.328 -0.115 0.000 1.203 118 H CA -0.378 55.687 56.048 0.028 0.000 0.973 118 H CB -0.038 29.794 29.762 0.117 0.000 2.500 118 H HN -0.192 nan 8.280 nan 0.000 0.678 119 S N 0.954 116.344 115.700 -0.517 0.000 2.538 119 S HA 0.663 5.133 4.470 -0.000 0.000 0.288 119 S C -1.124 172.989 174.600 -0.811 0.000 1.108 119 S CA -0.463 57.444 58.200 -0.490 0.000 0.971 119 S CB 1.646 64.538 63.200 -0.514 0.000 1.041 119 S HN 0.263 nan 8.310 nan 0.000 0.483 120 F N 1.278 121.209 119.950 -0.031 0.000 2.626 120 F HA 0.666 5.193 4.527 -0.000 0.000 0.311 120 F C -0.361 175.552 175.800 0.189 0.000 1.088 120 F CA -0.894 57.146 58.000 0.068 0.000 0.949 120 F CB 1.372 40.386 39.000 0.023 0.000 1.322 120 F HN 0.431 nan 8.300 nan 0.000 0.461 121 I N 1.469 122.331 120.570 0.488 0.000 2.647 121 I HA 0.544 4.714 4.170 -0.000 0.000 0.295 121 I C -0.828 175.537 176.117 0.412 0.000 1.078 121 I CA -1.083 60.461 61.300 0.407 0.000 1.048 121 I CB 1.754 39.873 38.000 0.200 0.000 1.239 121 I HN 0.639 nan 8.210 nan 0.000 0.421 122 R N 5.226 125.874 120.500 0.246 0.000 2.429 122 R HA 0.143 4.483 4.340 -0.000 0.000 0.302 122 R C 0.420 176.724 176.300 0.007 0.000 1.268 122 R CA -0.127 55.929 56.100 -0.073 0.000 1.090 122 R CB -0.067 30.047 30.300 -0.310 0.000 1.102 122 R HN 0.670 nan 8.270 nan 0.000 0.522 123 D N 0.643 121.069 120.400 0.044 0.000 2.355 123 D HA -0.005 4.635 4.640 -0.000 0.000 0.218 123 D C -0.241 176.079 176.300 0.033 0.000 1.004 123 D CA 0.112 54.145 54.000 0.056 0.000 0.880 123 D CB 0.327 41.176 40.800 0.082 0.000 0.911 123 D HN 0.284 nan 8.370 nan 0.000 0.528 124 S N -1.016 114.690 115.700 0.011 0.000 2.567 124 S HA 0.192 4.662 4.470 -0.000 0.000 0.270 124 S C -0.452 174.139 174.600 -0.016 0.000 1.152 124 S CA -0.536 57.669 58.200 0.007 0.000 0.835 124 S CB 1.686 64.905 63.200 0.031 0.000 1.115 124 S HN -0.181 nan 8.310 nan 0.000 0.459 125 E N 1.454 121.648 120.200 -0.010 0.000 2.502 125 E HA 0.083 4.433 4.350 -0.000 0.000 0.194 125 E C 0.470 177.075 176.600 0.009 0.000 1.062 125 E CA 0.108 56.503 56.400 -0.008 0.000 0.867 125 E CB -0.124 29.573 29.700 -0.006 0.000 0.888 125 E HN 0.683 nan 8.360 nan 0.000 0.510 126 E N 1.658 121.871 120.200 0.022 0.000 2.452 126 E HA -0.065 4.285 4.350 -0.000 0.000 0.261 126 E C -0.323 176.304 176.600 0.044 0.000 0.987 126 E CA 0.351 56.778 56.400 0.046 0.000 0.926 126 E CB 0.485 30.232 29.700 0.078 0.000 0.934 126 E HN -0.274 nan 8.360 nan 0.000 0.452 127 K N 3.440 123.864 120.400 0.040 0.000 2.267 127 K HA 0.388 4.708 4.320 -0.000 0.000 0.246 127 K C -0.491 176.142 176.600 0.055 0.000 0.954 127 K CA -0.801 55.480 56.287 -0.008 0.000 0.824 127 K CB 1.727 34.186 32.500 -0.068 0.000 1.167 127 K HN 0.500 nan 8.250 nan 0.000 0.431 128 R N 2.073 122.564 120.500 -0.015 0.000 2.387 128 R HA 0.336 4.676 4.340 -0.000 0.000 0.314 128 R C -0.833 175.409 176.300 -0.097 0.000 0.958 128 R CA -0.362 55.732 56.100 -0.010 0.000 0.846 128 R CB 0.675 30.846 30.300 -0.216 0.000 1.147 128 R HN 0.612 nan 8.270 nan 0.000 0.447 129 N N 2.788 121.436 118.700 -0.088 0.000 2.328 129 N HA 0.438 5.178 4.740 -0.000 0.000 0.299 129 N C -1.115 174.310 175.510 -0.142 0.000 1.179 129 N CA -0.629 52.348 53.050 -0.121 0.000 0.793 129 N CB 2.446 40.864 38.487 -0.115 0.000 1.366 129 N HN 0.388 nan 8.380 nan 0.000 0.493 130 V N -1.504 118.336 119.914 -0.123 0.000 2.925 130 V HA 0.614 4.734 4.120 -0.000 0.000 0.311 130 V C -1.035 175.002 176.094 -0.096 0.000 1.104 130 V CA -0.809 61.416 62.300 -0.126 0.000 0.954 130 V CB 1.958 33.704 31.823 -0.128 0.000 1.022 130 V HN 0.622 nan 8.190 nan 0.000 0.427 131 Q N 2.360 122.108 119.800 -0.086 0.000 2.333 131 Q HA 0.745 5.085 4.340 -0.000 0.000 0.268 131 Q C -1.628 174.355 176.000 -0.029 0.000 1.007 131 Q CA -0.444 55.328 55.803 -0.052 0.000 0.810 131 Q CB 1.969 30.677 28.738 -0.051 0.000 1.264 131 Q HN 0.891 nan 8.270 nan 0.000 0.452 132 V N 4.408 124.311 119.914 -0.020 0.000 2.444 132 V HA 0.481 4.601 4.120 -0.000 0.000 0.294 132 V C -0.940 175.168 176.094 0.023 0.000 1.022 132 V CA -0.795 61.499 62.300 -0.010 0.000 0.850 132 V CB 1.922 33.711 31.823 -0.056 0.000 0.992 132 V HN 0.790 nan 8.190 nan 0.000 0.426 133 D N 3.907 124.337 120.400 0.050 0.000 2.381 133 D HA 0.411 5.051 4.640 -0.000 0.000 0.235 133 D C -0.710 175.590 176.300 -0.000 0.000 1.068 133 D CA -0.152 53.890 54.000 0.069 0.000 0.832 133 D CB 2.573 43.473 40.800 0.167 0.000 1.101 133 D HN 0.250 nan 8.370 nan 0.000 0.515 134 V N 2.902 122.771 119.914 -0.075 0.000 2.328 134 V HA 0.281 4.401 4.120 -0.000 0.000 0.278 134 V C 0.136 176.187 176.094 -0.071 0.000 1.021 134 V CA -0.641 61.630 62.300 -0.048 0.000 0.838 134 V CB 1.711 33.508 31.823 -0.044 0.000 0.999 134 V HN 0.254 nan 8.190 nan 0.000 0.447 135 V N 4.142 124.044 119.914 -0.021 0.000 2.444 135 V HA 0.342 4.462 4.120 -0.000 0.000 0.294 135 V C 0.238 176.341 176.094 0.014 0.000 1.022 135 V CA -0.823 61.472 62.300 -0.007 0.000 0.850 135 V CB 1.795 33.627 31.823 0.015 0.000 0.992 135 V HN 0.918 nan 8.190 nan 0.000 0.426 136 E N 2.967 123.185 120.200 0.031 0.000 2.493 136 E HA 0.275 4.625 4.350 -0.000 0.000 0.255 136 E C 1.334 177.941 176.600 0.011 0.000 0.999 136 E CA 1.219 57.641 56.400 0.035 0.000 0.934 136 E CB 0.349 30.100 29.700 0.085 0.000 0.940 136 E HN 1.092 nan 8.360 nan 0.000 0.473 137 G N 4.357 113.163 108.800 0.010 0.000 2.205 137 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.261 137 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.261 137 G C 0.741 175.648 174.900 0.010 0.000 0.980 137 G CA 0.702 45.805 45.100 0.004 0.000 0.632 137 G HN 0.600 nan 8.290 nan 0.000 0.533 138 K N -0.049 120.361 120.400 0.016 0.000 2.469 138 K HA 0.512 4.832 4.320 -0.000 0.000 0.204 138 K C 1.360 177.979 176.600 0.032 0.000 1.047 138 K CA 0.597 56.897 56.287 0.021 0.000 1.072 138 K CB 1.152 33.663 32.500 0.018 0.000 0.863 138 K HN 1.424 nan 8.250 nan 0.000 0.530 139 G N 1.638 110.462 108.800 0.039 0.000 2.542 139 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.235 139 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.235 139 G C -0.732 174.208 174.900 0.066 0.000 1.286 139 G CA -0.618 44.520 45.100 0.063 0.000 0.904 139 G HN 0.111 nan 8.290 nan 0.000 0.577 140 I N 1.050 121.684 120.570 0.106 0.000 2.478 140 I HA 0.353 4.523 4.170 -0.000 0.000 0.287 140 I C -1.414 174.779 176.117 0.127 0.000 1.042 140 I CA -0.711 60.661 61.300 0.119 0.000 1.067 140 I CB 2.124 40.220 38.000 0.160 0.000 1.233 140 I HN 0.313 nan 8.210 nan 0.000 0.431 141 D N 7.633 128.082 120.400 0.082 0.000 2.256 141 D HA 0.582 5.222 4.640 -0.000 0.000 0.240 141 D C -0.449 175.906 176.300 0.092 0.000 1.062 141 D CA -0.050 53.989 54.000 0.065 0.000 0.832 141 D CB 2.548 43.374 40.800 0.044 0.000 1.135 141 D HN 0.305 nan 8.370 nan 0.000 0.484 142 I N 1.913 122.570 120.570 0.144 0.000 2.436 142 I HA 0.272 4.442 4.170 -0.000 0.000 0.289 142 I C 0.017 176.271 176.117 0.229 0.000 1.010 142 I CA -0.726 60.674 61.300 0.166 0.000 1.098 142 I CB 1.761 39.862 38.000 0.169 0.000 1.266 142 I HN -0.108 nan 8.210 nan 0.000 0.434 143 K N 4.476 124.922 120.400 0.078 0.000 2.274 143 K HA 0.570 4.890 4.320 -0.000 0.000 0.262 143 K C -0.867 175.643 176.600 -0.151 0.000 0.961 143 K CA -0.476 55.794 56.287 -0.028 0.000 0.833 143 K CB 2.168 34.618 32.500 -0.083 0.000 1.102 143 K HN 0.491 nan 8.250 nan 0.000 0.436 144 S N 1.014 116.486 115.700 -0.380 0.000 2.549 144 S HA 0.566 5.036 4.470 -0.000 0.000 0.297 144 S C -0.648 173.246 174.600 -1.177 0.000 1.115 144 S CA -0.808 57.012 58.200 -0.633 0.000 1.059 144 S CB 1.519 64.394 63.200 -0.542 0.000 1.046 144 S HN 0.700 nan 8.310 nan 0.000 0.506 145 S N 0.974 116.195 115.700 -0.798 0.000 2.607 145 S HA 0.788 5.258 4.470 -0.000 0.000 0.273 145 S C -1.299 173.210 174.600 -0.152 0.000 1.148 145 S CA -1.059 56.753 58.200 -0.646 0.000 0.833 145 S CB 0.679 63.675 63.200 -0.340 0.000 1.130 145 S HN 0.631 nan 8.310 nan 0.000 0.470 146 L N -0.392 120.884 121.223 0.088 0.000 2.333 146 L HA 1.031 5.371 4.340 -0.000 0.000 0.269 146 L C -0.310 176.608 176.870 0.081 0.000 1.010 146 L CA -0.557 54.411 54.840 0.213 0.000 0.818 146 L CB 1.786 44.063 42.059 0.365 0.000 1.306 146 L HN 1.050 nan 8.230 nan 0.000 0.430 147 S N -0.846 114.895 115.700 0.068 0.000 2.596 147 S HA 0.779 5.249 4.470 -0.000 0.000 0.270 147 S C 0.366 174.982 174.600 0.027 0.000 1.155 147 S CA -0.277 57.938 58.200 0.025 0.000 0.827 147 S CB 1.095 64.291 63.200 -0.007 0.000 1.130 147 S HN 2.244 nan 8.310 nan 0.000 0.467 148 G N -0.177 108.628 108.800 0.010 0.000 2.176 148 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.252 148 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.252 148 G C -0.336 174.567 174.900 0.004 0.000 1.024 148 G CA 0.312 45.415 45.100 0.004 0.000 0.755 148 G HN 1.410 nan 8.290 nan 0.000 0.507 149 L N 1.920 123.142 121.223 -0.001 0.000 2.268 149 L HA 0.704 5.044 4.340 -0.000 0.000 0.289 149 L C 0.247 177.077 176.870 -0.067 0.000 1.064 149 L CA -0.305 54.522 54.840 -0.022 0.000 0.824 149 L CB 0.874 42.923 42.059 -0.016 0.000 1.202 149 L HN 0.066 nan 8.230 nan 0.000 0.433 150 T N 5.587 120.101 114.554 -0.067 0.000 2.749 150 T HA 0.659 5.008 4.350 -0.000 0.000 0.287 150 T C -0.362 174.264 174.700 -0.124 0.000 0.970 150 T CA -0.315 61.735 62.100 -0.083 0.000 0.980 150 T CB 1.075 69.920 68.868 -0.038 0.000 0.924 150 T HN 0.537 nan 8.240 nan 0.000 0.456 151 V N 2.274 122.062 119.914 -0.209 0.000 3.040 151 V HA 0.914 5.034 4.120 -0.000 0.000 0.312 151 V C -1.068 174.932 176.094 -0.157 0.000 1.115 151 V CA -1.211 60.918 62.300 -0.285 0.000 0.998 151 V CB 2.116 33.516 31.823 -0.704 0.000 1.042 151 V HN 0.828 nan 8.190 nan 0.000 0.433 152 L N 2.062 123.291 121.223 0.010 0.000 2.482 152 L HA 0.745 5.085 4.340 -0.000 0.000 0.263 152 L C -0.960 176.047 176.870 0.229 0.000 0.957 152 L CA -0.540 54.365 54.840 0.108 0.000 0.836 152 L CB 2.113 44.129 42.059 -0.073 0.000 1.324 152 L HN 1.059 nan 8.230 nan 0.000 0.406 153 K N 1.336 121.850 120.400 0.189 0.000 2.316 153 K HA 0.504 4.824 4.320 -0.000 0.000 0.251 153 K C -0.138 176.396 176.600 -0.111 0.000 0.934 153 K CA -0.243 56.037 56.287 -0.011 0.000 0.802 153 K CB 1.963 34.343 32.500 -0.201 0.000 1.171 153 K HN 0.561 nan 8.250 nan 0.000 0.426 154 S N 0.670 116.301 115.700 -0.114 0.000 2.548 154 S HA 0.025 4.495 4.470 -0.000 0.000 0.215 154 S C 0.622 175.157 174.600 -0.107 0.000 0.976 154 S CA 0.239 58.348 58.200 -0.151 0.000 0.908 154 S CB 0.063 63.190 63.200 -0.121 0.000 0.781 154 S HN 0.782 nan 8.310 nan 0.000 0.519 155 T N 0.445 114.952 114.554 -0.078 0.000 2.665 155 T HA 0.452 4.802 4.350 -0.000 0.000 0.303 155 T C -1.491 173.179 174.700 -0.050 0.000 1.334 155 T CA -0.389 61.690 62.100 -0.035 0.000 1.011 155 T CB 0.510 69.376 68.868 -0.004 0.000 1.573 155 T HN 0.036 nan 8.240 nan 0.000 0.492 156 N N 0.238 118.932 118.700 -0.010 0.000 2.780 156 N HA -0.116 4.624 4.740 -0.000 0.000 0.248 156 N C -1.099 174.382 175.510 -0.048 0.000 1.102 156 N CA 1.388 54.426 53.050 -0.020 0.000 0.697 156 N CB -1.236 37.219 38.487 -0.053 0.000 1.028 156 N HN 0.652 nan 8.380 nan 0.000 0.554 157 S N -0.485 115.211 115.700 -0.007 0.000 2.571 157 S HA 0.658 5.128 4.470 -0.000 0.000 0.284 157 S C -0.943 173.706 174.600 0.081 0.000 1.128 157 S CA -0.597 57.604 58.200 0.001 0.000 0.970 157 S CB 1.363 64.543 63.200 -0.034 0.000 1.039 157 S HN 0.200 nan 8.310 nan 0.000 0.485 158 Q N 2.003 121.862 119.800 0.099 0.000 2.433 158 Q HA 0.653 4.993 4.340 -0.000 0.000 0.279 158 Q C -1.838 174.258 176.000 0.160 0.000 1.105 158 Q CA -0.824 55.064 55.803 0.142 0.000 0.815 158 Q CB 2.447 31.303 28.738 0.197 0.000 1.403 158 Q HN 0.637 nan 8.270 nan 0.000 0.435 159 F N 3.130 123.040 119.950 -0.067 0.000 3.287 159 F HA 0.407 4.934 4.527 0.000 0.000 0.379 159 F C -1.979 173.836 175.800 0.026 0.000 1.268 159 F CA -0.402 57.546 58.000 -0.087 0.000 1.220 159 F CB 0.828 39.807 39.000 -0.035 0.000 1.687 159 F HN 0.605 nan 8.300 nan 0.000 0.648 160 W N 2.965 123.928 121.300 -0.561 0.000 3.042 160 W HA 0.629 5.289 4.660 -0.001 0.000 0.342 160 W C 0.361 176.550 176.519 -0.550 0.000 1.240 160 W CA -1.371 55.579 57.345 -0.658 0.000 1.166 160 W CB 1.120 29.966 29.460 -1.023 0.000 1.469 160 W HN 1.104 nan 8.180 nan 0.000 0.579 161 G N 0.894 109.565 108.800 -0.215 0.000 2.148 161 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 161 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 161 G C -0.295 174.409 174.900 -0.327 0.000 0.981 161 G CA 0.362 45.349 45.100 -0.190 0.000 0.670 161 G HN 0.898 nan 8.290 nan 0.000 0.528 162 F N -0.832 118.917 119.950 -0.335 0.000 2.403 162 F HA 0.721 5.248 4.527 0.000 0.000 0.320 162 F C 0.900 176.643 175.800 -0.095 0.000 1.176 162 F CA -1.777 56.074 58.000 -0.249 0.000 1.206 162 F CB 0.524 39.336 39.000 -0.313 0.000 1.235 162 F HN 0.127 nan 8.300 nan 0.000 0.565 163 L N 2.629 123.959 121.223 0.177 0.000 2.540 163 L HA 0.207 4.547 4.340 -0.000 0.000 0.276 163 L C -0.360 176.615 176.870 0.175 0.000 1.212 163 L CA 0.209 55.120 54.840 0.120 0.000 0.893 163 L CB 0.138 42.268 42.059 0.118 0.000 1.138 163 L HN 0.714 nan 8.230 nan 0.000 0.491 164 R N 4.287 124.832 120.500 0.074 0.000 2.437 164 R HA 0.444 4.784 4.340 -0.000 0.000 0.310 164 R C -1.269 175.084 176.300 0.088 0.000 0.955 164 R CA -0.791 55.363 56.100 0.091 0.000 0.851 164 R CB 1.539 31.841 30.300 0.003 0.000 1.161 164 R HN 0.739 nan 8.270 nan 0.000 0.446 165 D N 0.424 120.898 120.400 0.123 0.000 2.958 165 D HA -0.033 4.607 4.640 -0.000 0.000 0.306 165 D C 0.587 176.937 176.300 0.082 0.000 1.226 165 D CA -0.687 53.379 54.000 0.110 0.000 1.032 165 D CB 0.107 41.002 40.800 0.158 0.000 1.400 165 D HN 0.383 nan 8.370 nan 0.000 0.587 166 E N -0.464 119.748 120.200 0.020 0.000 2.478 166 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 166 E C 0.485 176.924 176.600 -0.269 0.000 1.046 166 E CA 0.801 57.116 56.400 -0.141 0.000 0.870 166 E CB -0.531 29.032 29.700 -0.229 0.000 0.818 166 E HN 0.584 nan 8.360 nan 0.000 0.527 167 Y N 1.207 121.531 120.300 0.039 0.000 2.457 167 Y HA 0.195 4.745 4.550 -0.000 0.000 0.263 167 Y C 0.563 176.493 175.900 0.051 0.000 1.164 167 Y CA 0.152 58.276 58.100 0.040 0.000 1.274 167 Y CB 0.715 39.197 38.460 0.037 0.000 1.097 167 Y HN -0.153 nan 8.280 nan 0.000 0.523 168 T N 0.090 114.746 114.554 0.171 0.000 2.749 168 T HA 0.211 4.561 4.350 -0.000 0.000 0.287 168 T C 1.078 175.851 174.700 0.121 0.000 0.970 168 T CA -0.098 62.103 62.100 0.168 0.000 0.980 168 T CB 1.281 70.276 68.868 0.211 0.000 0.924 168 T HN 0.347 nan 8.240 nan 0.000 0.456 169 T N 0.429 115.048 114.554 0.109 0.000 2.959 169 T HA 0.226 4.576 4.350 -0.000 0.000 0.254 169 T C 0.571 175.328 174.700 0.094 0.000 1.003 169 T CA -0.439 61.708 62.100 0.077 0.000 0.950 169 T CB -0.080 68.812 68.868 0.039 0.000 1.090 169 T HN 0.313 nan 8.240 nan 0.000 0.503 170 L N 2.988 124.289 121.223 0.131 0.000 2.455 170 L HA 0.337 4.677 4.340 -0.000 0.000 0.272 170 L C -0.019 177.021 176.870 0.283 0.000 1.174 170 L CA 0.007 54.931 54.840 0.140 0.000 0.869 170 L CB 0.212 42.303 42.059 0.053 0.000 1.130 170 L HN 0.062 nan 8.230 nan 0.000 0.474 171 K N 4.623 125.144 120.400 0.202 0.000 2.218 171 K HA 0.220 4.540 4.320 -0.000 0.000 0.276 171 K C -0.249 176.523 176.600 0.286 0.000 1.022 171 K CA -0.527 55.885 56.287 0.209 0.000 0.946 171 K CB 0.728 33.310 32.500 0.137 0.000 1.000 171 K HN 0.636 nan 8.250 nan 0.000 0.468 172 E N 0.926 121.238 120.200 0.187 0.000 2.415 172 E HA 0.005 4.355 4.350 -0.000 0.000 0.262 172 E C -0.228 176.379 176.600 0.012 0.000 1.038 172 E CA 0.436 56.862 56.400 0.043 0.000 0.921 172 E CB 0.983 30.546 29.700 -0.227 0.000 0.950 172 E HN 0.324 nan 8.360 nan 0.000 0.438 173 T N 1.670 116.149 114.554 -0.125 0.000 2.933 173 T HA 0.262 4.612 4.350 -0.000 0.000 0.305 173 T C -0.776 173.863 174.700 -0.102 0.000 1.092 173 T CA -0.643 61.486 62.100 0.049 0.000 1.008 173 T CB 0.615 69.599 68.868 0.193 0.000 1.102 173 T HN 0.551 nan 8.240 nan 0.000 0.469 174 W N 2.116 123.534 121.300 0.197 0.000 3.005 174 W HA 0.300 4.960 4.660 -0.000 0.000 0.374 174 W C 0.038 176.651 176.519 0.156 0.000 1.076 174 W CA -0.316 57.143 57.345 0.190 0.000 1.794 174 W CB 0.596 30.086 29.460 0.050 0.000 1.113 174 W HN 0.602 nan 8.180 nan 0.000 0.584 175 D N 0.868 121.450 120.400 0.303 0.000 2.419 175 D HA 0.154 4.794 4.640 -0.000 0.000 0.219 175 D C -0.554 175.858 176.300 0.186 0.000 1.349 175 D CA -0.037 54.091 54.000 0.213 0.000 0.964 175 D CB 0.883 41.802 40.800 0.199 0.000 1.463 175 D HN 0.047 nan 8.370 nan 0.000 0.573 176 R N 2.067 122.649 120.500 0.136 0.000 2.817 176 R HA 0.700 5.040 4.340 -0.000 0.000 0.268 176 R C -0.616 175.696 176.300 0.021 0.000 1.027 176 R CA -0.990 55.183 56.100 0.122 0.000 0.928 176 R CB 0.934 31.329 30.300 0.157 0.000 1.228 176 R HN 0.153 nan 8.270 nan 0.000 0.469 177 I N 1.321 121.867 120.570 -0.041 0.000 2.519 177 I HA 0.190 4.360 4.170 -0.000 0.000 0.287 177 I C -0.562 175.523 176.117 -0.054 0.000 1.047 177 I CA -0.797 60.411 61.300 -0.154 0.000 1.381 177 I CB 1.295 39.070 38.000 -0.374 0.000 1.417 177 I HN 0.384 nan 8.210 nan 0.000 0.540 178 L N 6.225 127.412 121.223 -0.059 0.000 2.356 178 L HA 0.592 4.932 4.340 -0.000 0.000 0.277 178 L C -0.617 176.323 176.870 0.116 0.000 0.996 178 L CA 0.251 55.110 54.840 0.031 0.000 0.822 178 L CB 1.634 43.694 42.059 0.002 0.000 1.256 178 L HN 0.564 nan 8.230 nan 0.000 0.413 179 S N 3.083 118.849 115.700 0.109 0.000 2.540 179 S HA 0.868 5.338 4.470 -0.000 0.000 0.275 179 S C -0.945 173.689 174.600 0.057 0.000 1.123 179 S CA -0.197 58.061 58.200 0.098 0.000 0.907 179 S CB 1.531 64.777 63.200 0.076 0.000 1.081 179 S HN 0.896 nan 8.310 nan 0.000 0.476 180 T N 1.888 116.433 114.554 -0.015 0.000 2.792 180 T HA 0.494 4.844 4.350 -0.000 0.000 0.303 180 T C -2.360 172.294 174.700 -0.077 0.000 1.310 180 T CA -0.614 61.460 62.100 -0.043 0.000 1.007 180 T CB 1.437 70.289 68.868 -0.028 0.000 1.335 180 T HN 0.604 nan 8.240 nan 0.000 0.504 181 D N 2.152 122.522 120.400 -0.051 0.000 2.349 181 D HA 0.436 5.076 4.640 -0.000 0.000 0.232 181 D C -0.255 176.031 176.300 -0.024 0.000 1.071 181 D CA -0.146 53.827 54.000 -0.045 0.000 0.832 181 D CB 1.808 42.591 40.800 -0.029 0.000 1.086 181 D HN 0.283 nan 8.370 nan 0.000 0.504 182 V N 2.589 122.489 119.914 -0.024 0.000 2.488 182 V HA 0.126 4.246 4.120 -0.000 0.000 0.277 182 V C 0.317 176.434 176.094 0.037 0.000 1.046 182 V CA -0.159 62.162 62.300 0.035 0.000 0.986 182 V CB 1.407 33.256 31.823 0.044 0.000 0.989 182 V HN 0.439 nan 8.190 nan 0.000 0.475 183 D N 4.059 124.487 120.400 0.046 0.000 2.471 183 D HA 0.628 5.268 4.640 -0.000 0.000 0.245 183 D C -0.565 175.688 176.300 -0.078 0.000 1.116 183 D CA -0.165 53.832 54.000 -0.005 0.000 0.853 183 D CB 1.811 42.606 40.800 -0.009 0.000 1.123 183 D HN 0.686 nan 8.370 nan 0.000 0.540 184 A N 2.933 125.665 122.820 -0.146 0.000 2.356 184 A HA 0.706 5.026 4.320 -0.000 0.000 0.310 184 A C -0.464 177.023 177.584 -0.162 0.000 1.075 184 A CA -0.562 51.242 52.037 -0.389 0.000 0.746 184 A CB 1.543 20.196 19.000 -0.579 0.000 1.221 184 A HN 0.381 nan 8.150 nan 0.000 0.443 185 T N 2.291 116.736 114.554 -0.182 0.000 2.848 185 T HA 0.609 4.959 4.350 -0.000 0.000 0.285 185 T C -1.013 173.668 174.700 -0.031 0.000 0.995 185 T CA -0.074 61.897 62.100 -0.216 0.000 0.970 185 T CB 0.634 69.385 68.868 -0.195 0.000 0.976 185 T HN 0.742 nan 8.240 nan 0.000 0.441 186 W N 2.246 123.454 121.300 -0.153 0.000 2.587 186 W HA 0.698 5.358 4.660 0.000 0.000 0.324 186 W C -0.454 175.918 176.519 -0.245 0.000 1.040 186 W CA -1.076 56.127 57.345 -0.238 0.000 1.222 186 W CB 0.890 30.151 29.460 -0.330 0.000 1.381 186 W HN 0.499 nan 8.180 nan 0.000 0.483 187 Q N 3.308 123.044 119.800 -0.107 0.000 2.290 187 Q HA 0.289 4.629 4.340 -0.000 0.000 0.259 187 Q C -1.206 174.725 176.000 -0.115 0.000 0.941 187 Q CA -0.645 55.106 55.803 -0.086 0.000 0.912 187 Q CB 1.052 29.766 28.738 -0.041 0.000 1.244 187 Q HN 0.729 nan 8.270 nan 0.000 0.441 188 W N 3.082 124.407 121.300 0.041 0.000 2.237 188 W HA 0.263 4.923 4.660 0.000 0.000 0.335 188 W C 0.559 176.957 176.519 -0.202 0.000 1.230 188 W CA -0.306 57.030 57.345 -0.015 0.000 1.253 188 W CB 0.515 30.026 29.460 0.086 0.000 1.129 188 W HN 0.487 nan 8.180 nan 0.000 0.590 189 K N 3.142 123.524 120.400 -0.030 0.000 2.561 189 K HA -0.195 4.125 4.320 -0.000 0.000 0.280 189 K C 0.618 176.934 176.600 -0.472 0.000 0.975 189 K CA -0.091 56.078 56.287 -0.196 0.000 1.024 189 K CB 0.260 32.663 32.500 -0.162 0.000 0.883 189 K HN 0.580 nan 8.250 nan 0.000 0.496 190 N N 3.374 121.908 118.700 -0.277 0.000 2.357 190 N HA -0.079 4.661 4.740 -0.000 0.000 0.257 190 N C -1.131 174.193 175.510 -0.309 0.000 1.250 190 N CA 0.383 53.288 53.050 -0.240 0.000 0.862 190 N CB 0.208 38.649 38.487 -0.077 0.000 1.066 190 N HN 0.221 nan 8.380 nan 0.000 0.468 191 F N 0.769 120.771 119.950 0.087 0.000 2.425 191 F HA 0.186 4.713 4.527 0.000 0.000 0.331 191 F C 1.825 177.662 175.800 0.061 0.000 1.085 191 F CA -0.858 57.193 58.000 0.084 0.000 1.028 191 F CB 1.591 40.647 39.000 0.093 0.000 1.177 191 F HN 0.523 nan 8.300 nan 0.000 0.487 192 S N 0.137 115.991 115.700 0.257 0.000 2.453 192 S HA 0.430 4.900 4.470 -0.000 0.000 0.231 192 S C 0.793 175.462 174.600 0.116 0.000 1.005 192 S CA 0.561 58.847 58.200 0.143 0.000 0.949 192 S CB -0.378 62.889 63.200 0.111 0.000 0.774 192 S HN 1.086 nan 8.310 nan 0.000 0.510 193 G N 0.079 108.959 108.800 0.133 0.000 2.323 193 G HA2 0.362 4.322 3.960 -0.000 0.000 0.291 193 G HA3 0.362 4.322 3.960 -0.000 0.000 0.291 193 G C -0.292 174.633 174.900 0.042 0.000 1.278 193 G CA -0.256 44.888 45.100 0.074 0.000 0.860 193 G HN 0.161 nan 8.290 nan 0.000 0.504 194 L N 0.469 121.695 121.223 0.005 0.000 2.083 194 L HA 0.079 4.419 4.340 -0.000 0.000 0.209 194 L C 2.847 179.691 176.870 -0.042 0.000 1.083 194 L CA 2.913 57.737 54.840 -0.027 0.000 0.752 194 L CB -0.615 41.424 42.059 -0.033 0.000 0.899 194 L HN 0.770 nan 8.230 nan 0.000 0.433 195 Q N -0.675 119.108 119.800 -0.028 0.000 2.096 195 Q HA -0.286 4.054 4.340 -0.000 0.000 0.204 195 Q C 2.196 178.159 176.000 -0.063 0.000 0.982 195 Q CA 2.166 57.945 55.803 -0.041 0.000 0.850 195 Q CB -0.138 28.585 28.738 -0.025 0.000 0.901 195 Q HN 0.662 nan 8.270 nan 0.000 0.422 196 E N -0.773 119.410 120.200 -0.028 0.000 2.077 196 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 196 E C 1.979 178.475 176.600 -0.175 0.000 0.989 196 E CA 1.254 57.640 56.400 -0.024 0.000 0.800 196 E CB 0.164 29.954 29.700 0.150 0.000 0.746 196 E HN 0.259 nan 8.360 nan 0.000 0.452 197 V N 1.109 120.871 119.914 -0.253 0.000 2.287 197 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 197 V C 2.394 178.382 176.094 -0.176 0.000 1.053 197 V CA 2.023 64.097 62.300 -0.376 0.000 1.027 197 V CB -0.545 31.131 31.823 -0.245 0.000 0.646 197 V HN 0.256 nan 8.190 nan 0.000 0.447 198 R N 0.741 121.165 120.500 -0.127 0.000 2.127 198 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 198 R C 2.563 178.768 176.300 -0.159 0.000 1.134 198 R CA 1.689 57.729 56.100 -0.100 0.000 0.975 198 R CB -0.528 29.724 30.300 -0.080 0.000 0.865 198 R HN 0.709 nan 8.270 nan 0.000 0.447 199 S N -0.575 114.980 115.700 -0.241 0.000 2.447 199 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 199 S C 1.132 175.423 174.600 -0.514 0.000 1.006 199 S CA 1.020 59.004 58.200 -0.361 0.000 0.957 199 S CB -0.169 62.778 63.200 -0.422 0.000 0.773 199 S HN 0.484 nan 8.310 nan 0.000 0.507 200 H N -0.480 118.408 119.070 -0.304 0.000 2.594 200 H HA 0.437 4.993 4.556 -0.000 0.000 0.279 200 H C 1.571 176.495 175.328 -0.672 0.000 1.042 200 H CA 0.111 55.877 56.048 -0.472 0.000 1.177 200 H CB 0.462 29.853 29.762 -0.618 0.000 1.524 200 H HN 0.173 nan 8.280 nan 0.000 0.537 201 V N 1.797 121.537 119.914 -0.290 0.000 2.278 201 V HA -0.232 3.888 4.120 -0.000 0.000 0.251 201 V C -0.544 175.469 176.094 -0.134 0.000 1.062 201 V CA 2.128 64.358 62.300 -0.117 0.000 1.038 201 V CB -0.876 30.956 31.823 0.015 0.000 0.646 201 V HN 0.416 nan 8.190 nan 0.000 0.447 202 P HA -0.120 nan 4.420 nan 0.000 0.222 202 P C 1.417 178.689 177.300 -0.046 0.000 1.147 202 P CA 1.193 64.264 63.100 -0.047 0.000 0.790 202 P CB -0.090 31.588 31.700 -0.035 0.000 0.780 203 K N -1.739 118.553 120.400 -0.181 0.000 2.288 203 K HA -0.048 4.272 4.320 -0.000 0.000 0.201 203 K C 1.628 178.260 176.600 0.054 0.000 1.048 203 K CA 0.994 57.228 56.287 -0.089 0.000 0.956 203 K CB -0.427 31.992 32.500 -0.134 0.000 0.746 203 K HN 0.147 nan 8.250 nan 0.000 0.461 204 F N 1.989 122.013 119.950 0.124 0.000 2.084 204 F HA -0.139 4.388 4.527 -0.000 0.000 0.296 204 F C 2.016 178.022 175.800 0.342 0.000 1.111 204 F CA 1.132 59.261 58.000 0.215 0.000 1.224 204 F CB -0.670 38.342 39.000 0.020 0.000 0.991 204 F HN -0.030 nan 8.300 nan 0.000 0.471 205 D N 0.100 120.744 120.400 0.406 0.000 2.144 205 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 205 D C 2.318 178.865 176.300 0.412 0.000 0.984 205 D CA 1.406 55.629 54.000 0.371 0.000 0.834 205 D CB -0.609 40.329 40.800 0.230 0.000 0.955 205 D HN 0.215 nan 8.370 nan 0.000 0.465 206 A N 0.108 123.100 122.820 0.288 0.000 1.930 206 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 206 A C 2.329 180.020 177.584 0.179 0.000 1.175 206 A CA 1.857 54.017 52.037 0.204 0.000 0.627 206 A CB -0.686 18.393 19.000 0.132 0.000 0.815 206 A HN 0.208 nan 8.150 nan 0.000 0.443 207 T N -1.829 112.881 114.554 0.260 0.000 2.896 207 T HA -0.135 4.215 4.350 -0.000 0.000 0.263 207 T C 1.467 176.133 174.700 -0.056 0.000 1.050 207 T CA 1.199 63.358 62.100 0.099 0.000 1.140 207 T CB -0.317 68.714 68.868 0.272 0.000 0.877 207 T HN 0.762 nan 8.240 nan 0.000 0.457 208 W N 2.422 123.806 121.300 0.140 0.000 2.335 208 W HA -0.119 4.541 4.660 0.000 0.000 0.311 208 W C 2.480 179.005 176.519 0.009 0.000 1.213 208 W CA 1.344 58.797 57.345 0.180 0.000 1.274 208 W CB -0.532 29.183 29.460 0.425 0.000 1.148 208 W HN 0.216 nan 8.180 nan 0.000 0.498 209 A N -0.164 122.662 122.820 0.009 0.000 1.902 209 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 209 A C 1.912 179.304 177.584 -0.319 0.000 1.181 209 A CA 2.422 54.285 52.037 -0.290 0.000 0.623 209 A CB -1.384 17.652 19.000 0.061 0.000 0.818 209 A HN 0.343 nan 8.150 nan 0.000 0.443 210 T N 0.185 114.605 114.554 -0.224 0.000 2.777 210 T HA 0.010 4.360 4.350 -0.000 0.000 0.266 210 T C 2.243 176.749 174.700 -0.323 0.000 1.040 210 T CA 1.512 63.474 62.100 -0.230 0.000 1.141 210 T CB -0.433 68.323 68.868 -0.186 0.000 0.868 210 T HN 0.594 nan 8.240 nan 0.000 0.444 211 A N 1.643 124.165 122.820 -0.496 0.000 1.877 211 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 211 A C 2.291 179.655 177.584 -0.366 0.000 1.186 211 A CA 1.865 53.574 52.037 -0.546 0.000 0.620 211 A CB -0.607 17.734 19.000 -1.099 0.000 0.822 211 A HN 0.409 nan 8.150 nan 0.000 0.443 212 R N -0.433 119.782 120.500 -0.475 0.000 2.083 212 R HA -0.187 4.153 4.340 -0.000 0.000 0.237 212 R C 2.294 178.446 176.300 -0.246 0.000 1.137 212 R CA 1.863 57.726 56.100 -0.395 0.000 0.951 212 R CB -0.311 29.581 30.300 -0.680 0.000 0.851 212 R HN 0.731 nan 8.270 nan 0.000 0.434 213 E N -0.328 119.725 120.200 -0.245 0.000 2.051 213 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 213 E C 1.877 178.416 176.600 -0.102 0.000 0.991 213 E CA 1.531 57.842 56.400 -0.148 0.000 0.799 213 E CB 0.120 29.740 29.700 -0.133 0.000 0.748 213 E HN 0.218 nan 8.360 nan 0.000 0.449 214 V N 0.787 120.633 119.914 -0.114 0.000 2.343 214 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 214 V C 2.377 178.450 176.094 -0.035 0.000 1.051 214 V CA 2.145 64.400 62.300 -0.075 0.000 1.036 214 V CB -0.707 31.061 31.823 -0.092 0.000 0.654 214 V HN 0.380 nan 8.190 nan 0.000 0.451 215 T N 0.473 115.012 114.554 -0.024 0.000 2.652 215 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 215 T C 1.878 176.596 174.700 0.030 0.000 1.039 215 T CA 1.748 63.866 62.100 0.031 0.000 1.153 215 T CB -0.317 68.590 68.868 0.065 0.000 0.863 215 T HN 0.291 nan 8.240 nan 0.000 0.428 216 L N 0.586 121.805 121.223 -0.006 0.000 2.027 216 L HA -0.075 4.265 4.340 -0.000 0.000 0.206 216 L C 2.754 179.671 176.870 0.077 0.000 1.074 216 L CA 1.393 56.247 54.840 0.024 0.000 0.745 216 L CB -0.476 41.571 42.059 -0.020 0.000 0.898 216 L HN 0.215 nan 8.230 nan 0.000 0.433 217 K N -0.294 120.124 120.400 0.030 0.000 2.057 217 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 217 K C 1.998 178.618 176.600 0.033 0.000 1.049 217 K CA 1.883 58.185 56.287 0.024 0.000 0.931 217 K CB -0.027 32.469 32.500 -0.006 0.000 0.714 217 K HN 0.215 nan 8.250 nan 0.000 0.440 218 T N 0.776 115.349 114.554 0.032 0.000 2.777 218 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 218 T C 1.394 176.119 174.700 0.043 0.000 1.040 218 T CA 1.336 63.446 62.100 0.017 0.000 1.141 218 T CB -0.366 68.496 68.868 -0.009 0.000 0.868 218 T HN 0.294 nan 8.240 nan 0.000 0.444 219 F N 2.238 122.155 119.950 -0.055 0.000 2.102 219 F HA -0.027 4.500 4.527 0.000 0.000 0.298 219 F C 2.455 178.233 175.800 -0.037 0.000 1.105 219 F CA 1.164 59.134 58.000 -0.050 0.000 1.239 219 F CB -0.564 38.409 39.000 -0.046 0.000 0.991 219 F HN 0.137 nan 8.300 nan 0.000 0.474 220 A N -0.278 122.600 122.820 0.097 0.000 1.933 220 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 220 A C 2.061 179.596 177.584 -0.082 0.000 1.175 220 A CA 1.923 53.958 52.037 -0.004 0.000 0.628 220 A CB -0.648 18.397 19.000 0.074 0.000 0.814 220 A HN 0.597 nan 8.150 nan 0.000 0.444 221 E N -0.780 119.387 120.200 -0.056 0.000 2.364 221 E HA 0.009 4.359 4.350 -0.000 0.000 0.196 221 E C -0.319 176.244 176.600 -0.062 0.000 0.990 221 E CA -0.102 56.269 56.400 -0.048 0.000 0.886 221 E CB 0.114 29.800 29.700 -0.023 0.000 0.866 221 E HN 0.515 nan 8.360 nan 0.000 0.493 222 D N 1.459 121.809 120.400 -0.084 0.000 2.383 222 D HA -0.008 4.632 4.640 -0.000 0.000 0.252 222 D C -0.505 175.743 176.300 -0.086 0.000 1.166 222 D CA 0.072 54.028 54.000 -0.072 0.000 0.879 222 D CB 0.374 41.132 40.800 -0.070 0.000 1.164 222 D HN -0.135 nan 8.370 nan 0.000 0.462 223 N N 2.536 121.212 118.700 -0.040 0.000 2.508 223 N HA 0.051 4.791 4.740 -0.000 0.000 0.253 223 N C -0.788 174.715 175.510 -0.012 0.000 1.145 223 N CA -0.250 52.788 53.050 -0.020 0.000 0.973 223 N CB 0.259 38.761 38.487 0.025 0.000 1.305 223 N HN 0.179 nan 8.380 nan 0.000 0.506 224 S N 2.717 118.390 115.700 -0.045 0.000 2.510 224 S HA 0.269 4.739 4.470 -0.000 0.000 0.279 224 S C 1.194 175.786 174.600 -0.012 0.000 1.284 224 S CA -0.470 57.704 58.200 -0.044 0.000 1.059 224 S CB 0.811 63.960 63.200 -0.086 0.000 0.901 224 S HN 0.644 nan 8.310 nan 0.000 0.491 225 A N 4.068 126.871 122.820 -0.029 0.000 2.072 225 A HA 0.402 4.722 4.320 -0.000 0.000 0.216 225 A C 0.815 178.391 177.584 -0.014 0.000 1.156 225 A CA 0.696 52.686 52.037 -0.078 0.000 0.701 225 A CB -0.368 18.554 19.000 -0.131 0.000 0.816 225 A HN 1.547 nan 8.150 nan 0.000 0.458 226 S N -3.939 111.776 115.700 0.026 0.000 2.686 226 S HA 0.253 4.723 4.470 -0.000 0.000 0.273 226 S C 0.348 174.937 174.600 -0.018 0.000 1.060 226 S CA -0.024 58.216 58.200 0.066 0.000 0.845 226 S CB 0.414 63.702 63.200 0.146 0.000 1.086 226 S HN 0.294 nan 8.310 nan 0.000 0.461 227 V N 1.703 121.577 119.914 -0.067 0.000 2.343 227 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 227 V C 2.759 178.834 176.094 -0.031 0.000 1.051 227 V CA 2.595 64.865 62.300 -0.049 0.000 1.036 227 V CB -1.281 30.500 31.823 -0.069 0.000 0.654 227 V HN 0.890 nan 8.190 nan 0.000 0.451 228 Q N 0.355 120.142 119.800 -0.022 0.000 2.077 228 Q HA -0.215 4.125 4.340 -0.000 0.000 0.206 228 Q C 2.320 178.328 176.000 0.013 0.000 0.989 228 Q CA 2.384 58.187 55.803 -0.000 0.000 0.853 228 Q CB -0.722 28.017 28.738 0.003 0.000 0.907 228 Q HN 0.672 nan 8.270 nan 0.000 0.418 229 A N -0.450 122.371 122.820 0.000 0.000 1.929 229 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 229 A C 2.234 179.835 177.584 0.029 0.000 1.176 229 A CA 1.763 53.804 52.037 0.007 0.000 0.628 229 A CB -0.767 18.218 19.000 -0.024 0.000 0.816 229 A HN 0.386 nan 8.150 nan 0.000 0.444 230 T N 0.807 115.356 114.554 -0.008 0.000 2.812 230 T HA -0.146 4.204 4.350 -0.000 0.000 0.264 230 T C 2.005 176.658 174.700 -0.078 0.000 1.042 230 T CA 1.838 63.919 62.100 -0.031 0.000 1.140 230 T CB -0.419 68.427 68.868 -0.038 0.000 0.870 230 T HN 0.738 nan 8.240 nan 0.000 0.445 231 M N -0.130 119.403 119.600 -0.111 0.000 2.229 231 M HA -0.017 4.463 4.480 -0.000 0.000 0.264 231 M C 2.193 178.359 176.300 -0.224 0.000 1.063 231 M CA 1.553 56.675 55.300 -0.297 0.000 1.114 231 M CB -0.756 31.685 32.600 -0.266 0.000 1.387 231 M HN 0.161 nan 8.290 nan 0.000 0.420 232 Y N 1.612 121.826 120.300 -0.143 0.000 2.181 232 Y HA -0.116 4.434 4.550 -0.000 0.000 0.288 232 Y C 2.084 177.938 175.900 -0.077 0.000 1.146 232 Y CA 1.884 59.936 58.100 -0.080 0.000 1.164 232 Y CB -0.150 38.282 38.460 -0.048 0.000 0.982 232 Y HN 0.228 nan 8.280 nan 0.000 0.515 233 K N -0.381 120.009 120.400 -0.017 0.000 2.063 233 K HA -0.221 4.099 4.320 -0.000 0.000 0.208 233 K C 2.075 178.584 176.600 -0.151 0.000 1.048 233 K CA 2.073 58.317 56.287 -0.071 0.000 0.928 233 K CB -0.260 32.233 32.500 -0.012 0.000 0.713 233 K HN 0.412 nan 8.250 nan 0.000 0.442 234 M N 0.235 119.725 119.600 -0.184 0.000 2.086 234 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 234 M C 2.482 178.726 176.300 -0.093 0.000 1.067 234 M CA 1.785 56.988 55.300 -0.162 0.000 1.116 234 M CB -0.419 31.986 32.600 -0.325 0.000 1.348 234 M HN 0.202 nan 8.290 nan 0.000 0.407 235 A N -0.142 122.609 122.820 -0.115 0.000 1.898 235 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 235 A C 1.972 179.450 177.584 -0.177 0.000 1.181 235 A CA 1.904 53.929 52.037 -0.021 0.000 0.620 235 A CB -0.802 18.194 19.000 -0.006 0.000 0.819 235 A HN 0.554 nan 8.150 nan 0.000 0.442 236 E N -0.295 119.700 120.200 -0.342 0.000 2.070 236 E HA -0.286 4.064 4.350 -0.000 0.000 0.197 236 E C 2.204 178.704 176.600 -0.167 0.000 1.004 236 E CA 1.756 57.972 56.400 -0.307 0.000 0.805 236 E CB -0.146 29.340 29.700 -0.356 0.000 0.744 236 E HN 0.780 nan 8.360 nan 0.000 0.451 237 Q N -0.120 119.597 119.800 -0.138 0.000 2.119 237 Q HA -0.125 4.215 4.340 -0.000 0.000 0.201 237 Q C 2.324 178.256 176.000 -0.112 0.000 0.972 237 Q CA 1.289 57.029 55.803 -0.104 0.000 0.847 237 Q CB -0.042 28.644 28.738 -0.087 0.000 0.903 237 Q HN 0.402 nan 8.270 nan 0.000 0.433 238 I N 0.593 121.089 120.570 -0.123 0.000 2.179 238 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 238 I C 2.107 178.126 176.117 -0.164 0.000 1.088 238 I CA 1.133 62.333 61.300 -0.167 0.000 1.357 238 I CB -0.260 37.627 38.000 -0.189 0.000 1.051 238 I HN 0.188 nan 8.210 nan 0.000 0.409 239 L N 0.549 121.691 121.223 -0.135 0.000 2.131 239 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 239 L C 2.749 179.561 176.870 -0.096 0.000 1.092 239 L CA 1.206 55.976 54.840 -0.117 0.000 0.759 239 L CB -0.635 41.365 42.059 -0.099 0.000 0.903 239 L HN 0.257 nan 8.230 nan 0.000 0.435 240 A N -0.072 122.694 122.820 -0.090 0.000 2.014 240 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 240 A C 2.269 179.816 177.584 -0.062 0.000 1.163 240 A CA 1.177 53.175 52.037 -0.066 0.000 0.652 240 A CB -0.276 18.688 19.000 -0.060 0.000 0.808 240 A HN 0.339 nan 8.150 nan 0.000 0.449 241 R N -1.800 118.651 120.500 -0.081 0.000 2.312 241 R HA 0.156 4.496 4.340 -0.000 0.000 0.205 241 R C 0.035 176.294 176.300 -0.068 0.000 0.904 241 R CA 0.347 56.403 56.100 -0.072 0.000 1.052 241 R CB 0.393 30.641 30.300 -0.087 0.000 1.014 241 R HN 0.399 nan 8.270 nan 0.000 0.503 242 Q N -0.025 119.723 119.800 -0.087 0.000 2.483 242 Q HA 0.103 4.443 4.340 -0.000 0.000 0.245 242 Q C -0.336 175.625 176.000 -0.064 0.000 0.902 242 Q CA -0.243 55.517 55.803 -0.070 0.000 0.767 242 Q CB 1.560 30.219 28.738 -0.131 0.000 1.341 242 Q HN -0.167 nan 8.270 nan 0.000 0.453 243 Q N 2.705 122.497 119.800 -0.013 0.000 2.291 243 Q HA 0.055 4.395 4.340 -0.000 0.000 0.205 243 Q C 0.533 176.538 176.000 0.008 0.000 0.970 243 Q CA 1.084 56.884 55.803 -0.005 0.000 0.876 243 Q CB 0.215 28.962 28.738 0.016 0.000 0.935 243 Q HN 0.709 nan 8.270 nan 0.000 0.455 244 L N 0.061 121.316 121.223 0.053 0.000 2.610 244 L HA 0.088 4.428 4.340 -0.000 0.000 0.232 244 L C -0.060 176.843 176.870 0.054 0.000 1.149 244 L CA 0.428 55.345 54.840 0.128 0.000 0.872 244 L CB -0.230 42.020 42.059 0.317 0.000 0.992 244 L HN 0.158 nan 8.230 nan 0.000 0.447 245 I N -0.261 120.218 120.570 -0.152 0.000 2.395 245 I HA 0.068 4.238 4.170 -0.000 0.000 0.289 245 I C 1.470 177.512 176.117 -0.125 0.000 1.023 245 I CA 0.189 61.332 61.300 -0.261 0.000 1.350 245 I CB 1.010 38.800 38.000 -0.351 0.000 1.409 245 I HN 0.259 nan 8.210 nan 0.000 0.507 246 E N 3.146 123.287 120.200 -0.097 0.000 2.201 246 E HA 0.029 4.379 4.350 -0.000 0.000 0.193 246 E C 0.134 176.704 176.600 -0.049 0.000 0.957 246 E CA 0.675 57.041 56.400 -0.057 0.000 0.858 246 E CB 0.474 30.149 29.700 -0.041 0.000 0.816 246 E HN 0.773 nan 8.360 nan 0.000 0.475 247 T N -1.560 112.962 114.554 -0.052 0.000 2.894 247 T HA 0.564 4.914 4.350 -0.000 0.000 0.309 247 T C -0.677 174.010 174.700 -0.021 0.000 1.208 247 T CA -0.870 61.213 62.100 -0.029 0.000 1.016 247 T CB 2.295 71.154 68.868 -0.015 0.000 1.192 247 T HN -0.159 nan 8.240 nan 0.000 0.491 248 V N 1.536 121.450 119.914 -0.001 0.000 2.656 248 V HA 0.600 4.720 4.120 -0.000 0.000 0.307 248 V C -0.620 175.495 176.094 0.035 0.000 1.051 248 V CA -0.789 61.524 62.300 0.023 0.000 0.893 248 V CB 1.767 33.610 31.823 0.034 0.000 0.999 248 V HN 1.019 nan 8.190 nan 0.000 0.426 249 E N 3.233 123.426 120.200 -0.012 0.000 2.234 249 E HA 0.580 4.930 4.350 -0.000 0.000 0.266 249 E C -1.886 174.677 176.600 -0.061 0.000 0.877 249 E CA -0.651 55.757 56.400 0.012 0.000 0.758 249 E CB 2.654 32.346 29.700 -0.013 0.000 1.170 249 E HN 0.609 nan 8.360 nan 0.000 0.415 250 Y N 0.691 121.008 120.300 0.028 0.000 2.429 250 Y HA 0.379 4.929 4.550 0.000 0.000 0.342 250 Y C 0.005 175.914 175.900 0.014 0.000 1.004 250 Y CA -0.564 57.552 58.100 0.026 0.000 1.075 250 Y CB 2.420 40.895 38.460 0.026 0.000 1.214 250 Y HN 0.379 nan 8.280 nan 0.000 0.455 251 S N 4.848 120.637 115.700 0.148 0.000 2.707 251 S HA 0.701 5.171 4.470 -0.000 0.000 0.303 251 S C -1.680 172.970 174.600 0.084 0.000 1.132 251 S CA -0.545 57.707 58.200 0.087 0.000 1.046 251 S CB 0.071 63.290 63.200 0.032 0.000 1.004 251 S HN 0.620 nan 8.310 nan 0.000 0.483 252 L N 6.749 128.010 121.223 0.064 0.000 2.404 252 L HA 0.543 4.883 4.340 -0.000 0.000 0.272 252 L C -2.326 174.540 176.870 -0.006 0.000 0.980 252 L CA -2.095 52.769 54.840 0.039 0.000 0.836 252 L CB 2.542 44.631 42.059 0.050 0.000 1.238 252 L HN 0.487 nan 8.230 nan 0.000 0.408 253 P HA 0.054 nan 4.420 nan 0.000 0.275 253 P C -1.077 176.166 177.300 -0.094 0.000 1.228 253 P CA -0.394 62.668 63.100 -0.064 0.000 0.786 253 P CB 1.113 32.773 31.700 -0.067 0.000 0.927 254 N N 2.352 120.952 118.700 -0.166 0.000 2.527 254 N HA 0.122 4.862 4.740 -0.000 0.000 0.236 254 N C -0.771 174.458 175.510 -0.470 0.000 0.999 254 N CA -0.323 52.587 53.050 -0.233 0.000 0.935 254 N CB 0.121 38.490 38.487 -0.195 0.000 1.132 254 N HN 0.159 nan 8.380 nan 0.000 0.511 255 K N 3.392 123.641 120.400 -0.251 0.000 2.273 255 K HA 0.189 4.509 4.320 -0.000 0.000 0.287 255 K C -0.388 176.151 176.600 -0.101 0.000 1.089 255 K CA -0.565 55.594 56.287 -0.212 0.000 0.909 255 K CB 0.528 33.011 32.500 -0.027 0.000 1.123 255 K HN 0.487 nan 8.250 nan 0.000 0.473 256 H N 2.183 121.248 119.070 -0.008 0.000 2.582 256 H HA 0.100 4.656 4.556 -0.000 0.000 0.345 256 H C -0.631 174.669 175.328 -0.046 0.000 1.104 256 H CA 0.089 56.170 56.048 0.055 0.000 1.390 256 H CB 0.439 30.204 29.762 0.006 0.000 1.461 256 H HN 0.401 nan 8.280 nan 0.000 0.551 257 Y N 2.329 122.752 120.300 0.205 0.000 2.328 257 Y HA 0.183 4.733 4.550 -0.000 0.000 0.333 257 Y C -0.398 175.823 175.900 0.535 0.000 0.958 257 Y CA -0.673 57.556 58.100 0.214 0.000 1.167 257 Y CB 0.662 39.167 38.460 0.075 0.000 1.151 257 Y HN 0.389 nan 8.280 nan 0.000 0.470 258 F N 2.081 122.251 119.950 0.367 0.000 2.404 258 F HA 0.317 4.844 4.527 -0.000 0.000 0.339 258 F C 0.821 176.793 175.800 0.286 0.000 1.105 258 F CA -1.805 56.368 58.000 0.288 0.000 1.087 258 F CB 0.913 39.998 39.000 0.140 0.000 1.143 258 F HN 0.474 nan 8.300 nan 0.000 0.491 259 E N 2.796 123.168 120.200 0.287 0.000 2.436 259 E HA 0.152 4.502 4.350 -0.000 0.000 0.262 259 E C -0.683 175.901 176.600 -0.027 0.000 1.063 259 E CA 0.237 56.561 56.400 -0.127 0.000 0.944 259 E CB 0.846 30.477 29.700 -0.115 0.000 0.950 259 E HN 0.365 nan 8.360 nan 0.000 0.444 260 I N 2.141 122.646 120.570 -0.107 0.000 2.382 260 I HA 0.089 4.259 4.170 -0.000 0.000 0.285 260 I C -0.215 175.910 176.117 0.013 0.000 1.007 260 I CA -0.747 60.560 61.300 0.012 0.000 1.142 260 I CB 1.333 39.356 38.000 0.039 0.000 1.289 260 I HN 0.346 nan 8.210 nan 0.000 0.453 261 D N 7.157 127.603 120.400 0.077 0.000 2.343 261 D HA 0.189 4.829 4.640 -0.000 0.000 0.255 261 D C 0.271 176.682 176.300 0.185 0.000 1.187 261 D CA 0.267 54.327 54.000 0.100 0.000 0.875 261 D CB 1.247 42.119 40.800 0.120 0.000 1.136 261 D HN 0.490 nan 8.370 nan 0.000 0.469 262 L N 3.001 124.230 121.223 0.010 0.000 2.857 262 L HA 0.021 4.361 4.340 -0.000 0.000 0.249 262 L C 2.103 178.720 176.870 -0.421 0.000 1.172 262 L CA -0.100 54.588 54.840 -0.253 0.000 0.980 262 L CB 0.143 42.066 42.059 -0.225 0.000 1.299 262 L HN 0.347 nan 8.230 nan 0.000 0.535 263 S N 0.238 115.857 115.700 -0.135 0.000 2.419 263 S HA -0.184 4.286 4.470 -0.000 0.000 0.233 263 S C 1.798 176.358 174.600 -0.067 0.000 1.016 263 S CA 0.533 58.684 58.200 -0.082 0.000 0.974 263 S CB -0.523 62.684 63.200 0.012 0.000 0.786 263 S HN 0.692 nan 8.310 nan 0.000 0.492 264 W N 1.961 123.289 121.300 0.046 0.000 2.387 264 W HA 0.011 4.671 4.660 -0.000 0.000 0.272 264 W C 0.729 177.293 176.519 0.076 0.000 1.224 264 W CA 0.740 58.114 57.345 0.049 0.000 1.210 264 W CB -1.161 28.328 29.460 0.049 0.000 1.125 264 W HN 0.516 nan 8.180 nan 0.000 0.572 265 H N 1.843 120.455 119.070 -0.763 0.000 2.690 265 H HA 0.255 4.810 4.556 -0.000 0.000 0.280 265 H C 0.558 175.680 175.328 -0.345 0.000 1.138 265 H CA -0.551 55.098 56.048 -0.665 0.000 1.241 265 H CB -0.059 28.972 29.762 -1.219 0.000 1.394 265 H HN 0.003 nan 8.280 nan 0.000 0.489 266 K N 3.647 123.783 120.400 -0.440 0.000 3.069 266 K HA -0.215 4.105 4.320 -0.000 0.000 0.267 266 K C 0.876 177.370 176.600 -0.177 0.000 1.082 266 K CA 0.691 56.789 56.287 -0.315 0.000 0.782 266 K CB -1.611 30.644 32.500 -0.409 0.000 1.230 266 K HN 1.097 nan 8.250 nan 0.000 0.488 267 G N 0.166 108.883 108.800 -0.137 0.000 2.258 267 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.274 267 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.274 267 G C 0.074 174.921 174.900 -0.088 0.000 1.021 267 G CA 0.263 45.310 45.100 -0.087 0.000 0.798 267 G HN 0.242 nan 8.290 nan 0.000 0.507 268 L N 0.353 121.504 121.223 -0.119 0.000 2.499 268 L HA 0.298 4.638 4.340 -0.000 0.000 0.273 268 L C 0.515 177.337 176.870 -0.080 0.000 1.195 268 L CA 0.298 55.082 54.840 -0.093 0.000 0.882 268 L CB 0.767 42.763 42.059 -0.104 0.000 1.133 268 L HN 0.275 nan 8.230 nan 0.000 0.483 269 Q N 4.080 123.848 119.800 -0.053 0.000 2.368 269 Q HA 0.233 4.573 4.340 -0.000 0.000 0.256 269 Q C -0.225 175.751 176.000 -0.039 0.000 0.980 269 Q CA 0.051 55.831 55.803 -0.039 0.000 0.887 269 Q CB 0.935 29.658 28.738 -0.024 0.000 1.221 269 Q HN 0.558 nan 8.270 nan 0.000 0.458 270 N N 0.971 119.641 118.700 -0.050 0.000 2.307 270 N HA 0.020 4.760 4.740 -0.000 0.000 0.248 270 N C -1.115 174.334 175.510 -0.102 0.000 1.322 270 N CA 0.086 53.092 53.050 -0.072 0.000 0.861 270 N CB 0.890 39.325 38.487 -0.086 0.000 1.303 270 N HN 0.498 nan 8.380 nan 0.000 0.498 271 T N -4.156 110.364 114.554 -0.056 0.000 2.930 271 T HA 0.764 5.114 4.350 -0.000 0.000 0.290 271 T C 1.000 175.703 174.700 0.006 0.000 1.052 271 T CA -0.118 61.956 62.100 -0.043 0.000 1.017 271 T CB 1.630 70.488 68.868 -0.016 0.000 1.137 271 T HN 0.196 nan 8.240 nan 0.000 0.511 272 G N 1.769 110.595 108.800 0.042 0.000 2.651 272 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.315 272 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.315 272 G C 0.775 175.728 174.900 0.088 0.000 1.258 272 G CA 0.835 45.983 45.100 0.080 0.000 1.002 272 G HN 0.974 nan 8.290 nan 0.000 0.551 273 K N 0.922 121.362 120.400 0.067 0.000 2.362 273 K HA 0.032 4.352 4.320 -0.000 0.000 0.200 273 K C 2.069 178.704 176.600 0.058 0.000 1.046 273 K CA 1.438 57.764 56.287 0.065 0.000 0.952 273 K CB -0.216 32.310 32.500 0.042 0.000 0.753 273 K HN 0.486 nan 8.250 nan 0.000 0.466 274 N N -0.156 118.568 118.700 0.041 0.000 2.336 274 N HA 0.085 4.825 4.740 -0.000 0.000 0.189 274 N C -0.629 174.895 175.510 0.023 0.000 1.113 274 N CA -0.222 52.844 53.050 0.027 0.000 0.858 274 N CB 0.721 39.212 38.487 0.006 0.000 0.970 274 N HN 0.052 nan 8.380 nan 0.000 0.471 275 A N 0.880 123.720 122.820 0.034 0.000 2.491 275 A HA 0.104 4.424 4.320 -0.000 0.000 0.261 275 A C 0.657 178.310 177.584 0.115 0.000 1.101 275 A CA 0.207 52.220 52.037 -0.039 0.000 0.772 275 A CB 0.260 19.204 19.000 -0.093 0.000 1.043 275 A HN 0.314 nan 8.150 nan 0.000 0.501 276 E N 1.559 121.795 120.200 0.060 0.000 2.399 276 E HA 0.137 4.487 4.350 -0.000 0.000 0.206 276 E C -0.583 176.171 176.600 0.257 0.000 0.812 276 E CA 0.173 56.686 56.400 0.188 0.000 1.138 276 E CB 0.791 30.551 29.700 0.100 0.000 1.140 276 E HN 0.485 nan 8.360 nan 0.000 0.536 277 V N 2.291 122.256 119.914 0.086 0.000 2.398 277 V HA 0.360 4.480 4.120 -0.000 0.000 0.286 277 V C -0.880 175.241 176.094 0.045 0.000 1.026 277 V CA -0.374 62.012 62.300 0.143 0.000 0.868 277 V CB 0.729 32.592 31.823 0.067 0.000 0.982 277 V HN 0.032 nan 8.190 nan 0.000 0.443 278 F N 1.982 122.017 119.950 0.142 0.000 2.593 278 F HA 0.802 5.329 4.527 -0.000 0.000 0.320 278 F C 0.358 176.256 175.800 0.164 0.000 1.060 278 F CA -0.904 57.209 58.000 0.189 0.000 0.940 278 F CB 1.964 41.126 39.000 0.270 0.000 1.268 278 F HN 0.468 nan 8.300 nan 0.000 0.475 279 A N 2.856 125.875 122.820 0.332 0.000 2.277 279 A HA 0.701 5.021 4.320 -0.000 0.000 0.318 279 A C -2.780 174.797 177.584 -0.013 0.000 1.339 279 A CA -1.754 50.371 52.037 0.146 0.000 0.875 279 A CB -0.073 18.999 19.000 0.121 0.000 1.158 279 A HN 0.344 nan 8.150 nan 0.000 0.514 280 P HA 0.151 nan 4.420 nan 0.000 0.268 280 P C -0.705 176.327 177.300 -0.447 0.000 1.204 280 P CA 0.145 62.855 63.100 -0.651 0.000 0.768 280 P CB 0.580 31.897 31.700 -0.638 0.000 0.842 281 Q N 1.592 121.078 119.800 -0.523 0.000 2.325 281 Q HA 0.238 4.578 4.340 -0.000 0.000 0.262 281 Q C 0.806 176.633 176.000 -0.289 0.000 0.968 281 Q CA -0.185 55.370 55.803 -0.414 0.000 0.877 281 Q CB 1.530 29.912 28.738 -0.593 0.000 1.253 281 Q HN 0.368 nan 8.270 nan 0.000 0.448 282 S N 1.915 117.496 115.700 -0.198 0.000 2.406 282 S HA -0.099 4.371 4.470 -0.000 0.000 0.228 282 S C 0.235 174.769 174.600 -0.110 0.000 1.020 282 S CA 1.360 59.477 58.200 -0.138 0.000 0.965 282 S CB 0.106 63.248 63.200 -0.097 0.000 0.798 282 S HN 0.798 nan 8.310 nan 0.000 0.488 283 D N -0.795 119.545 120.400 -0.100 0.000 2.648 283 D HA 0.455 5.095 4.640 -0.000 0.000 0.244 283 D C -3.089 173.188 176.300 -0.037 0.000 1.244 283 D CA -1.492 52.473 54.000 -0.058 0.000 0.772 283 D CB 0.335 41.112 40.800 -0.038 0.000 1.379 283 D HN -0.106 nan 8.370 nan 0.000 0.428 284 P HA 0.304 nan 4.420 nan 0.000 0.277 284 P C -0.985 176.347 177.300 0.054 0.000 1.276 284 P CA -0.598 62.520 63.100 0.031 0.000 0.788 284 P CB 0.366 32.100 31.700 0.056 0.000 1.114 285 N N -2.124 116.590 118.700 0.023 0.000 2.284 285 N HA 0.334 5.074 4.740 -0.000 0.000 0.289 285 N C -0.240 175.267 175.510 -0.004 0.000 1.179 285 N CA -0.733 52.285 53.050 -0.053 0.000 0.774 285 N CB 1.555 39.953 38.487 -0.149 0.000 1.548 285 N HN 0.475 nan 8.380 nan 0.000 0.473 286 G N -0.052 108.733 108.800 -0.026 0.000 2.544 286 G HA2 0.397 4.357 3.960 -0.000 0.000 0.242 286 G HA3 0.397 4.357 3.960 -0.000 0.000 0.242 286 G C -0.805 174.063 174.900 -0.053 0.000 1.247 286 G CA -0.213 44.883 45.100 -0.008 0.000 0.840 286 G HN 0.505 nan 8.290 nan 0.000 0.578 287 L N 2.418 123.621 121.223 -0.032 0.000 2.439 287 L HA 0.574 4.914 4.340 -0.000 0.000 0.270 287 L C -1.160 175.699 176.870 -0.019 0.000 0.972 287 L CA -0.860 53.964 54.840 -0.027 0.000 0.836 287 L CB 1.743 43.791 42.059 -0.019 0.000 1.255 287 L HN 0.341 nan 8.230 nan 0.000 0.404 288 I N 4.432 124.995 120.570 -0.012 0.000 2.466 288 I HA 0.503 4.673 4.170 -0.000 0.000 0.289 288 I C -0.416 175.716 176.117 0.026 0.000 1.026 288 I CA -0.614 60.685 61.300 -0.002 0.000 1.078 288 I CB 1.681 39.670 38.000 -0.017 0.000 1.249 288 I HN 0.618 nan 8.210 nan 0.000 0.429 289 K N 4.874 125.294 120.400 0.033 0.000 2.385 289 K HA 0.840 5.160 4.320 -0.000 0.000 0.248 289 K C -0.979 175.663 176.600 0.069 0.000 0.955 289 K CA -0.610 55.711 56.287 0.056 0.000 0.816 289 K CB 3.018 35.541 32.500 0.038 0.000 1.250 289 K HN 0.853 nan 8.250 nan 0.000 0.434 290 C N -0.952 118.409 119.300 0.102 0.000 3.090 290 C HA 0.603 5.063 4.460 -0.000 0.000 0.347 290 C C -0.981 174.080 174.990 0.117 0.000 1.147 290 C CA -0.546 58.537 59.018 0.107 0.000 1.305 290 C CB 1.195 29.012 27.740 0.129 0.000 1.692 290 C HN 0.750 nan 8.230 nan 0.000 0.506 291 T N 3.027 117.637 114.554 0.092 0.000 2.792 291 T HA 0.653 5.003 4.350 -0.000 0.000 0.280 291 T C -0.414 174.336 174.700 0.084 0.000 0.990 291 T CA -0.331 61.814 62.100 0.075 0.000 0.960 291 T CB 1.445 70.338 68.868 0.042 0.000 0.939 291 T HN 0.831 nan 8.240 nan 0.000 0.439 292 V N 2.595 122.553 119.914 0.073 0.000 2.555 292 V HA 0.907 5.027 4.120 -0.000 0.000 0.302 292 V C 0.599 176.707 176.094 0.023 0.000 1.038 292 V CA -0.466 61.872 62.300 0.062 0.000 0.887 292 V CB 1.833 33.653 31.823 -0.004 0.000 0.991 292 V HN 1.040 nan 8.190 nan 0.000 0.434 293 G N 3.465 112.281 108.800 0.028 0.000 3.105 293 G HA2 0.644 4.604 3.960 -0.000 0.000 0.277 293 G HA3 0.644 4.604 3.960 -0.000 0.000 0.277 293 G C -1.094 173.810 174.900 0.007 0.000 1.375 293 G CA -1.076 44.029 45.100 0.008 0.000 0.962 293 G HN 0.558 nan 8.290 nan 0.000 0.541 294 R N 0.061 120.561 120.500 0.001 0.000 2.404 294 R HA 0.508 4.848 4.340 -0.000 0.000 0.291 294 R C 0.569 176.877 176.300 0.014 0.000 1.025 294 R CA -0.290 55.811 56.100 0.002 0.000 0.991 294 R CB 1.494 31.790 30.300 -0.007 0.000 1.053 294 R HN 0.655 nan 8.270 nan 0.000 0.479 295 S N 0.000 115.712 115.700 0.019 0.000 2.498 295 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 295 S CA 0.000 58.213 58.200 0.022 0.000 1.107 295 S CB 0.000 63.218 63.200 0.030 0.000 0.593 295 S HN 0.000 nan 8.310 nan 0.000 0.517