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 1g4m_1_A DATA FIRST_RESID 5 DATA SEQUENCE GTRVFKKASP NGKLTVYLGK RDFVDHIDLV EPVDGVVLVD PEYLKERRVY DATA SEQUENCE VTLTCAFRYG REDLDVLGLT FRKDLFVANV QSFPPAPEDK KPLTRLQERL DATA SEQUENCE IKKLGEHAYP FTFEIPPNLP CSVTLQPGPE DTGKACGVDY EVKAFCAENL DATA SEQUENCE EEKIHKRNSV RLVIRKVQYA PERPGPQPTA ETTRQFLMSD KPLHLEASLD DATA SEQUENCE KEIYYHGEPI SVNVHVTNNT NKTVKKIKIS VRQYADICLF NTAQYKCPVA DATA SEQUENCE MEEADDTVAP SSTFCKVYTL TPFLANNREK RGLALDGKLK HEDTNLASST DATA SEQUENCE LLREGANREI LGIIVSYKVK VKLVVSRGXX XXXXXXSDVA VELPFTLMHP DATA SEQUENCE KPKXXXXXXX XXXXXXXXXX XXXXXXXXDD DIVFEDFAR 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 5 G HA2 0.000 nan 3.960 nan 0.000 0.244 5 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 5 G C 0.000 174.853 174.900 -0.078 0.000 0.946 5 G CA 0.000 45.059 45.100 -0.069 0.000 0.502 6 T N 1.364 115.856 114.554 -0.104 0.000 2.864 6 T HA 0.513 4.863 4.350 -0.000 0.000 0.310 6 T C 0.155 174.759 174.700 -0.161 0.000 1.040 6 T CA -0.448 61.585 62.100 -0.111 0.000 0.977 6 T CB 0.899 69.707 68.868 -0.099 0.000 0.976 6 T HN 0.511 nan 8.240 nan 0.000 0.459 7 R N 1.640 122.036 120.500 -0.174 0.000 2.490 7 R HA 0.616 4.956 4.340 -0.000 0.000 0.280 7 R C -0.654 175.456 176.300 -0.317 0.000 1.077 7 R CA -0.450 55.479 56.100 -0.286 0.000 1.065 7 R CB 0.776 30.861 30.300 -0.358 0.000 1.003 7 R HN 0.326 nan 8.270 nan 0.000 0.470 8 V N 4.601 124.324 119.914 -0.318 0.000 2.569 8 V HA 0.328 4.448 4.120 -0.000 0.000 0.301 8 V C -0.947 175.118 176.094 -0.048 0.000 1.044 8 V CA -0.743 61.516 62.300 -0.068 0.000 0.874 8 V CB 1.306 33.259 31.823 0.218 0.000 1.002 8 V HN 0.534 nan 8.190 nan 0.000 0.424 9 F N 4.355 124.490 119.950 0.308 0.000 2.384 9 F HA 0.667 5.194 4.527 -0.000 0.000 0.338 9 F C 0.527 176.489 175.800 0.270 0.000 1.103 9 F CA -0.316 57.868 58.000 0.307 0.000 1.157 9 F CB 1.106 40.332 39.000 0.377 0.000 1.167 9 F HN 0.467 nan 8.300 nan 0.000 0.529 10 K N 1.312 121.882 120.400 0.283 0.000 2.508 10 K HA 0.739 5.058 4.320 -0.000 0.000 0.260 10 K C -1.771 174.797 176.600 -0.053 0.000 0.949 10 K CA -1.270 54.955 56.287 -0.102 0.000 0.834 10 K CB 2.844 35.018 32.500 -0.544 0.000 1.365 10 K HN 0.595 nan 8.250 nan 0.000 0.437 11 K N 1.328 121.622 120.400 -0.176 0.000 2.565 11 K HA 0.544 4.864 4.320 -0.000 0.000 0.251 11 K C -1.734 174.783 176.600 -0.138 0.000 0.956 11 K CA -0.603 55.627 56.287 -0.095 0.000 0.809 11 K CB 2.221 34.691 32.500 -0.050 0.000 1.267 11 K HN 0.841 nan 8.250 nan 0.000 0.438 12 A N 2.003 124.761 122.820 -0.102 0.000 2.282 12 A HA 0.601 4.921 4.320 -0.000 0.000 0.319 12 A C -0.058 177.498 177.584 -0.047 0.000 1.121 12 A CA -0.500 51.487 52.037 -0.084 0.000 0.836 12 A CB 0.874 19.826 19.000 -0.081 0.000 1.146 12 A HN 0.854 nan 8.150 nan 0.000 0.494 13 S N 1.204 116.882 115.700 -0.036 0.000 2.626 13 S HA 0.309 4.779 4.470 -0.000 0.000 0.257 13 S C -1.926 172.658 174.600 -0.026 0.000 1.288 13 S CA -0.454 57.735 58.200 -0.018 0.000 0.980 13 S CB -0.205 62.992 63.200 -0.005 0.000 0.975 13 S HN 0.444 nan 8.310 nan 0.000 0.577 14 P HA -0.086 nan 4.420 nan 0.000 0.213 14 P C 1.188 178.464 177.300 -0.040 0.000 1.170 14 P CA 1.486 64.576 63.100 -0.017 0.000 0.893 14 P CB -0.376 31.324 31.700 0.000 0.000 0.784 15 N N -0.987 117.677 118.700 -0.059 0.000 2.609 15 N HA -0.075 4.665 4.740 -0.000 0.000 0.190 15 N C 1.230 176.655 175.510 -0.142 0.000 1.157 15 N CA 0.835 53.822 53.050 -0.106 0.000 0.918 15 N CB -0.734 37.666 38.487 -0.145 0.000 0.978 15 N HN 0.138 nan 8.380 nan 0.000 0.448 16 G N 0.947 109.681 108.800 -0.110 0.000 2.189 16 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.267 16 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.267 16 G C 1.040 175.858 174.900 -0.137 0.000 0.975 16 G CA 0.782 45.819 45.100 -0.105 0.000 0.644 16 G HN 0.318 nan 8.290 nan 0.000 0.537 17 K N -0.915 119.350 120.400 -0.225 0.000 2.103 17 K HA 0.318 4.637 4.320 -0.000 0.000 0.204 17 K C 1.016 177.559 176.600 -0.094 0.000 1.052 17 K CA 0.622 56.739 56.287 -0.283 0.000 0.945 17 K CB -0.127 31.937 32.500 -0.728 0.000 0.722 17 K HN 0.446 nan 8.250 nan 0.000 0.443 18 L N 0.200 121.397 121.223 -0.043 0.000 2.317 18 L HA 0.357 4.697 4.340 -0.000 0.000 0.281 18 L C -0.849 176.034 176.870 0.021 0.000 1.024 18 L CA 0.116 54.977 54.840 0.035 0.000 0.810 18 L CB 2.089 44.182 42.059 0.057 0.000 1.240 18 L HN -0.081 nan 8.230 nan 0.000 0.427 19 T N 3.053 117.647 114.554 0.065 0.000 2.921 19 T HA 0.626 4.976 4.350 -0.000 0.000 0.297 19 T C -1.026 173.704 174.700 0.050 0.000 1.013 19 T CA -0.459 61.634 62.100 -0.013 0.000 0.990 19 T CB 1.800 70.646 68.868 -0.038 0.000 1.023 19 T HN 0.210 nan 8.240 nan 0.000 0.447 20 V N 3.357 123.223 119.914 -0.081 0.000 2.581 20 V HA 0.612 4.732 4.120 -0.000 0.000 0.303 20 V C -1.375 174.673 176.094 -0.076 0.000 1.041 20 V CA -0.788 61.577 62.300 0.108 0.000 0.907 20 V CB 1.406 33.299 31.823 0.117 0.000 0.994 20 V HN 0.822 nan 8.190 nan 0.000 0.442 21 Y N 4.362 124.806 120.300 0.240 0.000 2.462 21 Y HA 0.794 5.344 4.550 -0.000 0.000 0.346 21 Y C -0.221 175.840 175.900 0.269 0.000 0.976 21 Y CA -0.898 57.341 58.100 0.231 0.000 1.044 21 Y CB 1.788 40.361 38.460 0.187 0.000 1.230 21 Y HN 0.367 nan 8.280 nan 0.000 0.455 22 L N 0.587 122.095 121.223 0.476 0.000 2.434 22 L HA 0.540 4.880 4.340 -0.000 0.000 0.260 22 L C 0.956 178.116 176.870 0.484 0.000 0.983 22 L CA -0.784 54.334 54.840 0.462 0.000 0.820 22 L CB 2.599 44.994 42.059 0.560 0.000 1.361 22 L HN 0.897 nan 8.230 nan 0.000 0.410 23 G N 0.987 110.012 108.800 0.375 0.000 2.712 23 G HA2 0.073 4.032 3.960 -0.000 0.000 0.212 23 G HA3 0.073 4.032 3.960 -0.000 0.000 0.212 23 G C 0.237 175.352 174.900 0.359 0.000 1.142 23 G CA 0.417 45.689 45.100 0.287 0.000 0.789 23 G HN 0.622 nan 8.290 nan 0.000 0.535 24 K N -2.248 118.374 120.400 0.371 0.000 2.617 24 K HA 0.467 4.787 4.320 -0.000 0.000 0.293 24 K C -0.122 176.398 176.600 -0.133 0.000 1.034 24 K CA -1.024 55.333 56.287 0.117 0.000 0.884 24 K CB 0.926 33.288 32.500 -0.230 0.000 1.541 24 K HN -0.130 nan 8.250 nan 0.000 0.409 25 R N -0.189 120.034 120.500 -0.461 0.000 2.195 25 R HA 0.149 4.489 4.340 -0.000 0.000 0.197 25 R C -0.599 175.594 176.300 -0.178 0.000 0.990 25 R CA 0.296 56.188 56.100 -0.347 0.000 1.048 25 R CB 0.304 30.124 30.300 -0.800 0.000 0.997 25 R HN 0.527 nan 8.270 nan 0.000 0.502 26 D N 0.293 120.463 120.400 -0.384 0.000 2.375 26 D HA 0.267 4.907 4.640 -0.000 0.000 0.247 26 D C -0.962 175.031 176.300 -0.512 0.000 1.061 26 D CA -0.243 53.590 54.000 -0.278 0.000 0.834 26 D CB 1.473 42.129 40.800 -0.239 0.000 1.247 26 D HN -0.161 nan 8.370 nan 0.000 0.489 27 F N 0.673 120.563 119.950 -0.100 0.000 2.426 27 F HA 0.273 4.799 4.527 -0.000 0.000 0.348 27 F C 0.418 176.144 175.800 -0.123 0.000 1.124 27 F CA -1.078 56.878 58.000 -0.074 0.000 1.008 27 F CB 1.469 40.439 39.000 -0.050 0.000 1.139 27 F HN -0.051 nan 8.300 nan 0.000 0.452 28 V N 2.976 122.886 119.914 -0.006 0.000 2.508 28 V HA 0.055 4.175 4.120 -0.000 0.000 0.281 28 V C 0.043 176.074 176.094 -0.105 0.000 1.041 28 V CA -0.390 61.835 62.300 -0.124 0.000 1.016 28 V CB 0.907 32.579 31.823 -0.252 0.000 0.984 28 V HN 0.627 nan 8.190 nan 0.000 0.478 29 D N 3.793 124.130 120.400 -0.104 0.000 2.313 29 D HA 0.116 4.756 4.640 -0.000 0.000 0.239 29 D C 0.341 176.600 176.300 -0.068 0.000 1.142 29 D CA -0.254 53.731 54.000 -0.025 0.000 0.847 29 D CB 0.620 41.423 40.800 0.004 0.000 1.082 29 D HN 0.610 nan 8.370 nan 0.000 0.480 30 H N 5.441 124.586 119.070 0.125 0.000 2.524 30 H HA 0.180 4.736 4.556 -0.000 0.000 0.299 30 H C 1.330 176.727 175.328 0.115 0.000 1.074 30 H CA -0.170 55.977 56.048 0.165 0.000 1.115 30 H CB 0.517 30.366 29.762 0.145 0.000 1.522 30 H HN 0.566 nan 8.280 nan 0.000 0.543 31 I N -0.606 120.057 120.570 0.154 0.000 4.407 31 I HA -0.487 3.683 4.170 -0.000 0.000 0.066 31 I C 1.267 177.442 176.117 0.095 0.000 0.591 31 I CA 1.980 63.341 61.300 0.103 0.000 1.050 31 I CB -0.751 37.302 38.000 0.087 0.000 0.939 31 I HN 0.285 nan 8.210 nan 0.000 0.169 32 D N 1.569 122.038 120.400 0.115 0.000 2.183 32 D HA 0.213 4.853 4.640 -0.000 0.000 0.205 32 D C 0.719 177.070 176.300 0.085 0.000 0.962 32 D CA 1.652 55.704 54.000 0.086 0.000 0.849 32 D CB 0.401 41.247 40.800 0.077 0.000 0.978 32 D HN 0.529 nan 8.370 nan 0.000 0.488 33 L N -2.573 118.723 121.223 0.121 0.000 2.600 33 L HA 0.615 4.955 4.340 -0.000 0.000 0.257 33 L C -1.317 175.647 176.870 0.156 0.000 1.048 33 L CA -1.047 53.859 54.840 0.110 0.000 0.869 33 L CB 2.339 44.452 42.059 0.089 0.000 1.482 33 L HN -0.392 nan 8.230 nan 0.000 0.408 34 V N 0.275 120.263 119.914 0.123 0.000 2.628 34 V HA 0.416 4.536 4.120 -0.000 0.000 0.306 34 V C -0.147 176.050 176.094 0.171 0.000 1.045 34 V CA -0.601 61.781 62.300 0.136 0.000 0.905 34 V CB 1.604 33.459 31.823 0.052 0.000 0.997 34 V HN 0.842 nan 8.190 nan 0.000 0.436 35 E N 4.132 124.474 120.200 0.236 0.000 2.529 35 E HA 0.081 4.431 4.350 -0.000 0.000 0.259 35 E C -2.378 174.378 176.600 0.260 0.000 0.966 35 E CA -1.091 55.465 56.400 0.260 0.000 0.937 35 E CB 0.125 30.006 29.700 0.301 0.000 0.923 35 E HN 0.453 nan 8.360 nan 0.000 0.468 36 P HA -0.041 nan 4.420 nan 0.000 0.269 36 P C -0.811 176.584 177.300 0.158 0.000 1.209 36 P CA -0.031 63.160 63.100 0.152 0.000 0.776 36 P CB 0.527 32.300 31.700 0.121 0.000 0.876 37 V N 4.039 123.967 119.914 0.023 0.000 2.304 37 V HA 0.143 4.263 4.120 -0.000 0.000 0.262 37 V C 0.172 176.317 176.094 0.085 0.000 1.061 37 V CA -0.203 62.030 62.300 -0.111 0.000 0.872 37 V CB 0.031 31.723 31.823 -0.219 0.000 1.077 37 V HN 0.592 nan 8.190 nan 0.000 0.480 38 D N 3.785 124.240 120.400 0.092 0.000 2.392 38 D HA 0.578 5.218 4.640 -0.000 0.000 0.228 38 D C 0.131 176.296 176.300 -0.226 0.000 1.074 38 D CA -0.218 53.729 54.000 -0.087 0.000 0.838 38 D CB 2.315 43.108 40.800 -0.011 0.000 1.067 38 D HN 0.471 nan 8.370 nan 0.000 0.511 39 G N 0.419 108.738 108.800 -0.801 0.000 3.105 39 G HA2 0.614 4.573 3.960 -0.000 0.000 0.277 39 G HA3 0.614 4.573 3.960 -0.000 0.000 0.277 39 G C -1.317 173.100 174.900 -0.805 0.000 1.375 39 G CA -0.768 43.797 45.100 -0.892 0.000 0.962 39 G HN 0.395 nan 8.290 nan 0.000 0.541 40 V N -0.684 119.118 119.914 -0.187 0.000 2.888 40 V HA 0.626 4.746 4.120 -0.000 0.000 0.309 40 V C -0.936 175.464 176.094 0.509 0.000 1.114 40 V CA -0.788 61.594 62.300 0.136 0.000 0.940 40 V CB 1.904 33.748 31.823 0.036 0.000 1.021 40 V HN 0.723 nan 8.190 nan 0.000 0.426 41 V N 5.972 126.180 119.914 0.490 0.000 2.444 41 V HA 0.606 4.726 4.120 -0.000 0.000 0.294 41 V C -0.842 175.478 176.094 0.376 0.000 1.022 41 V CA -0.674 61.898 62.300 0.453 0.000 0.850 41 V CB 1.536 33.572 31.823 0.355 0.000 0.992 41 V HN 0.752 nan 8.190 nan 0.000 0.426 42 L N 8.237 129.692 121.223 0.386 0.000 2.313 42 L HA 0.552 4.892 4.340 -0.000 0.000 0.282 42 L C -0.103 176.945 176.870 0.297 0.000 1.092 42 L CA 0.763 55.789 54.840 0.311 0.000 0.831 42 L CB 1.174 43.426 42.059 0.322 0.000 1.159 42 L HN 0.535 nan 8.230 nan 0.000 0.442 43 V N 4.024 124.162 119.914 0.373 0.000 3.193 43 V HA 0.494 4.613 4.120 -0.000 0.000 0.320 43 V C -0.455 175.794 176.094 0.259 0.000 1.112 43 V CA -0.820 61.702 62.300 0.370 0.000 1.026 43 V CB 1.919 34.114 31.823 0.619 0.000 1.128 43 V HN 0.746 nan 8.190 nan 0.000 0.452 44 D N 0.787 121.301 120.400 0.190 0.000 2.363 44 D HA 0.338 4.978 4.640 -0.000 0.000 0.258 44 D C -2.189 174.173 176.300 0.102 0.000 1.259 44 D CA -1.400 52.643 54.000 0.072 0.000 0.921 44 D CB 2.291 43.131 40.800 0.066 0.000 1.201 44 D HN 0.118 nan 8.370 nan 0.000 0.524 45 P HA -0.168 nan 4.420 nan 0.000 0.215 45 P C 1.220 178.531 177.300 0.018 0.000 1.157 45 P CA 1.027 64.175 63.100 0.079 0.000 0.874 45 P CB 0.409 32.267 31.700 0.264 0.000 0.790 46 E N -1.724 118.498 120.200 0.036 0.000 2.171 46 E HA -0.262 4.088 4.350 -0.000 0.000 0.197 46 E C 1.903 178.524 176.600 0.035 0.000 0.997 46 E CA 0.956 57.373 56.400 0.030 0.000 0.810 46 E CB -0.486 29.234 29.700 0.034 0.000 0.738 46 E HN 0.226 nan 8.360 nan 0.000 0.467 47 Y N 0.850 121.118 120.300 -0.053 0.000 2.286 47 Y HA -0.086 4.464 4.550 -0.001 0.000 0.293 47 Y C 1.725 177.583 175.900 -0.070 0.000 1.124 47 Y CA 1.524 59.592 58.100 -0.055 0.000 1.178 47 Y CB -0.003 38.428 38.460 -0.049 0.000 1.010 47 Y HN 0.168 nan 8.280 nan 0.000 0.536 48 L N -2.043 119.019 121.223 -0.268 0.000 2.265 48 L HA 0.324 4.664 4.340 -0.000 0.000 0.195 48 L C 1.562 178.261 176.870 -0.286 0.000 1.083 48 L CA 0.623 55.240 54.840 -0.373 0.000 0.798 48 L CB -0.973 40.908 42.059 -0.296 0.000 0.989 48 L HN -0.018 nan 8.230 nan 0.000 0.472 49 K N -0.374 119.886 120.400 -0.232 0.000 4.636 49 K HA -0.290 4.029 4.320 -0.000 0.000 0.209 49 K C 1.643 178.125 176.600 -0.197 0.000 0.939 49 K CA 1.626 57.808 56.287 -0.175 0.000 0.667 49 K CB -1.603 30.818 32.500 -0.131 0.000 0.733 49 K HN 0.608 nan 8.250 nan 0.000 0.724 50 E N 3.214 123.321 120.200 -0.156 0.000 2.204 50 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 50 E C 0.347 176.850 176.600 -0.161 0.000 0.989 50 E CA 1.136 57.456 56.400 -0.133 0.000 0.824 50 E CB -0.133 29.513 29.700 -0.089 0.000 0.756 50 E HN 0.351 nan 8.360 nan 0.000 0.477 51 R N 1.608 121.992 120.500 -0.193 0.000 2.401 51 R HA 0.231 4.571 4.340 -0.000 0.000 0.299 51 R C 0.227 176.347 176.300 -0.300 0.000 1.064 51 R CA -0.017 55.971 56.100 -0.186 0.000 1.000 51 R CB 0.669 30.868 30.300 -0.169 0.000 0.973 51 R HN 0.094 nan 8.270 nan 0.000 0.438 52 R N 1.284 121.605 120.500 -0.299 0.000 2.549 52 R HA 0.346 4.686 4.340 -0.000 0.000 0.267 52 R C -0.499 175.498 176.300 -0.504 0.000 1.045 52 R CA -0.747 55.061 56.100 -0.487 0.000 1.115 52 R CB 1.046 30.978 30.300 -0.614 0.000 1.121 52 R HN 0.240 nan 8.270 nan 0.000 0.543 53 V N 2.779 122.387 119.914 -0.510 0.000 2.347 53 V HA 0.289 4.408 4.120 -0.000 0.000 0.280 53 V C -0.879 174.919 176.094 -0.492 0.000 1.021 53 V CA -0.570 61.509 62.300 -0.369 0.000 0.847 53 V CB 0.459 32.198 31.823 -0.141 0.000 0.990 53 V HN 0.556 nan 8.190 nan 0.000 0.444 54 Y N 2.990 122.966 120.300 -0.540 0.000 2.496 54 Y HA 0.750 5.300 4.550 -0.000 0.000 0.331 54 Y C 0.072 175.570 175.900 -0.671 0.000 1.140 54 Y CA -0.971 56.747 58.100 -0.637 0.000 1.166 54 Y CB 2.173 40.090 38.460 -0.905 0.000 1.249 54 Y HN 0.335 nan 8.280 nan 0.000 0.479 55 V N 1.566 121.380 119.914 -0.168 0.000 2.569 55 V HA 0.411 4.531 4.120 -0.000 0.000 0.301 55 V C -0.638 175.579 176.094 0.205 0.000 1.044 55 V CA -0.770 61.462 62.300 -0.113 0.000 0.874 55 V CB 1.827 33.429 31.823 -0.368 0.000 1.002 55 V HN 0.832 nan 8.190 nan 0.000 0.424 56 T N 5.685 120.341 114.554 0.170 0.000 2.856 56 T HA 0.699 5.049 4.350 -0.000 0.000 0.283 56 T C -0.958 173.610 174.700 -0.221 0.000 1.008 56 T CA -0.386 61.767 62.100 0.089 0.000 0.997 56 T CB 1.728 70.681 68.868 0.141 0.000 0.992 56 T HN 0.434 nan 8.240 nan 0.000 0.454 57 L N 3.010 123.910 121.223 -0.539 0.000 2.325 57 L HA 0.716 5.056 4.340 -0.000 0.000 0.281 57 L C -0.686 176.011 176.870 -0.288 0.000 1.004 57 L CA 0.080 54.552 54.840 -0.613 0.000 0.823 57 L CB 1.541 42.907 42.059 -1.155 0.000 1.236 57 L HN 0.646 nan 8.230 nan 0.000 0.415 58 T N 3.837 118.300 114.554 -0.151 0.000 2.886 58 T HA 0.369 4.719 4.350 -0.000 0.000 0.292 58 T C -1.245 173.376 174.700 -0.132 0.000 1.012 58 T CA -0.389 61.636 62.100 -0.124 0.000 0.982 58 T CB 1.266 70.054 68.868 -0.133 0.000 1.018 58 T HN 0.734 nan 8.240 nan 0.000 0.451 59 C N 3.785 122.989 119.300 -0.161 0.000 2.281 59 C HA 0.897 5.357 4.460 -0.000 0.000 0.323 59 C C 0.044 174.898 174.990 -0.226 0.000 1.270 59 C CA -0.182 58.558 59.018 -0.463 0.000 1.559 59 C CB -1.673 25.723 27.740 -0.574 0.000 2.239 59 C HN 1.047 nan 8.230 nan 0.000 0.488 60 A N 5.152 127.851 122.820 -0.201 0.000 2.454 60 A HA 0.799 5.119 4.320 -0.000 0.000 0.302 60 A C -1.228 176.351 177.584 -0.008 0.000 1.079 60 A CA -0.488 51.499 52.037 -0.084 0.000 0.731 60 A CB 1.008 19.940 19.000 -0.113 0.000 1.299 60 A HN 1.050 nan 8.150 nan 0.000 0.413 61 F N 2.158 122.072 119.950 -0.059 0.000 2.404 61 F HA 0.693 5.220 4.527 -0.000 0.000 0.339 61 F C 0.557 176.361 175.800 0.007 0.000 1.105 61 F CA -0.394 57.620 58.000 0.024 0.000 1.087 61 F CB 1.066 40.135 39.000 0.115 0.000 1.143 61 F HN 0.698 nan 8.300 nan 0.000 0.491 62 R N 4.829 124.895 120.500 -0.724 0.000 2.750 62 R HA 0.598 4.938 4.340 -0.000 0.000 0.281 62 R C -2.325 173.647 176.300 -0.547 0.000 0.972 62 R CA -1.001 54.822 56.100 -0.461 0.000 0.912 62 R CB 1.944 32.066 30.300 -0.297 0.000 1.187 62 R HN 0.754 nan 8.270 nan 0.000 0.464 63 Y N 0.684 120.810 120.300 -0.290 0.000 2.421 63 Y HA 0.600 5.150 4.550 -0.001 0.000 0.339 63 Y C -0.299 175.528 175.900 -0.121 0.000 0.996 63 Y CA 0.500 58.505 58.100 -0.158 0.000 1.046 63 Y CB 2.489 40.965 38.460 0.026 0.000 1.226 63 Y HN 1.183 nan 8.280 nan 0.000 0.445 64 G N 3.906 112.557 108.800 -0.249 0.000 2.347 64 G HA2 0.004 3.964 3.960 -0.000 0.000 0.477 64 G HA3 0.004 3.964 3.960 -0.000 0.000 0.477 64 G C -1.654 173.172 174.900 -0.124 0.000 1.349 64 G CA -1.410 43.647 45.100 -0.073 0.000 1.000 64 G HN 0.632 nan 8.290 nan 0.000 0.605 65 R N 0.453 120.917 120.500 -0.060 0.000 2.486 65 R HA -0.029 4.311 4.340 -0.000 0.000 0.304 65 R C 1.550 177.803 176.300 -0.079 0.000 0.913 65 R CA 0.665 56.728 56.100 -0.061 0.000 1.124 65 R CB 0.388 30.670 30.300 -0.030 0.000 0.891 65 R HN 0.816 nan 8.270 nan 0.000 0.410 66 E N 2.408 122.554 120.200 -0.091 0.000 2.265 66 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 66 E C 0.780 177.342 176.600 -0.064 0.000 0.996 66 E CA 1.326 57.672 56.400 -0.090 0.000 0.832 66 E CB 0.266 29.910 29.700 -0.092 0.000 0.756 66 E HN 0.592 nan 8.360 nan 0.000 0.491 67 D N -0.174 120.196 120.400 -0.051 0.000 2.317 67 D HA -0.081 4.559 4.640 -0.000 0.000 0.211 67 D C 0.942 177.220 176.300 -0.035 0.000 0.966 67 D CA 0.251 54.229 54.000 -0.037 0.000 0.876 67 D CB 0.044 40.826 40.800 -0.030 0.000 0.927 67 D HN 0.195 nan 8.370 nan 0.000 0.519 68 L N -0.113 121.086 121.223 -0.040 0.000 2.358 68 L HA 0.399 4.739 4.340 -0.000 0.000 0.268 68 L C -0.030 176.810 176.870 -0.050 0.000 1.032 68 L CA -0.614 54.203 54.840 -0.037 0.000 0.805 68 L CB 1.353 43.395 42.059 -0.028 0.000 1.253 68 L HN -0.194 nan 8.230 nan 0.000 0.452 69 D N 1.129 121.500 120.400 -0.049 0.000 3.449 69 D HA 0.145 4.785 4.640 -0.000 0.000 0.262 69 D C -1.711 174.555 176.300 -0.056 0.000 1.343 69 D CA 0.040 54.002 54.000 -0.063 0.000 0.787 69 D CB 1.138 41.897 40.800 -0.068 0.000 1.412 69 D HN 0.162 nan 8.370 nan 0.000 0.652 70 V N 1.992 121.880 119.914 -0.044 0.000 2.487 70 V HA 0.495 4.615 4.120 -0.000 0.000 0.298 70 V C -0.355 175.722 176.094 -0.028 0.000 1.028 70 V CA -0.776 61.503 62.300 -0.035 0.000 0.860 70 V CB 1.660 33.470 31.823 -0.022 0.000 0.991 70 V HN 0.203 nan 8.190 nan 0.000 0.427 71 L N 7.164 128.368 121.223 -0.032 0.000 2.601 71 L HA 0.462 4.802 4.340 -0.000 0.000 0.277 71 L C 1.379 178.251 176.870 0.004 0.000 1.219 71 L CA 2.347 57.175 54.840 -0.020 0.000 0.915 71 L CB 0.630 42.673 42.059 -0.026 0.000 1.160 71 L HN 1.187 nan 8.230 nan 0.000 0.494 72 G N 2.840 111.656 108.800 0.027 0.000 2.232 72 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.226 72 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.226 72 G C 0.713 175.649 174.900 0.060 0.000 0.996 72 G CA 0.367 45.495 45.100 0.047 0.000 0.626 72 G HN 0.564 nan 8.290 nan 0.000 0.509 73 L N -0.234 121.016 121.223 0.045 0.000 2.588 73 L HA 0.325 4.665 4.340 -0.000 0.000 0.194 73 L C 1.136 178.039 176.870 0.056 0.000 1.070 73 L CA 0.995 55.867 54.840 0.054 0.000 0.852 73 L CB 0.372 42.449 42.059 0.029 0.000 1.199 73 L HN 0.158 nan 8.230 nan 0.000 0.486 74 T N 0.548 115.110 114.554 0.012 0.000 2.875 74 T HA 0.307 4.657 4.350 -0.000 0.000 0.284 74 T C -0.981 173.688 174.700 -0.050 0.000 0.995 74 T CA -0.148 61.938 62.100 -0.022 0.000 1.060 74 T CB 1.323 70.157 68.868 -0.058 0.000 0.967 74 T HN -0.078 nan 8.240 nan 0.000 0.476 75 F N 3.329 123.095 119.950 -0.307 0.000 2.422 75 F HA 0.715 5.242 4.527 -0.001 0.000 0.333 75 F C 0.088 175.749 175.800 -0.232 0.000 1.095 75 F CA -1.136 56.611 58.000 -0.421 0.000 1.038 75 F CB 0.937 39.254 39.000 -1.137 0.000 1.156 75 F HN 0.423 nan 8.300 nan 0.000 0.483 76 R N 5.359 125.175 120.500 -1.140 0.000 2.584 76 R HA 0.406 4.746 4.340 -0.000 0.000 0.276 76 R C -2.000 173.730 176.300 -0.950 0.000 1.046 76 R CA -0.895 54.732 56.100 -0.789 0.000 0.906 76 R CB 1.637 31.696 30.300 -0.401 0.000 1.215 76 R HN 0.800 nan 8.270 nan 0.000 0.449 77 K N 3.480 123.598 120.400 -0.470 0.000 2.545 77 K HA 0.224 4.544 4.320 -0.000 0.000 0.252 77 K C -1.379 175.180 176.600 -0.068 0.000 0.948 77 K CA -0.734 55.421 56.287 -0.220 0.000 0.827 77 K CB 1.327 33.871 32.500 0.073 0.000 1.128 77 K HN 0.565 nan 8.250 nan 0.000 0.429 78 D N 4.677 125.024 120.400 -0.087 0.000 2.390 78 D HA 0.079 4.719 4.640 -0.000 0.000 0.249 78 D C 1.091 177.387 176.300 -0.005 0.000 1.144 78 D CA 0.023 53.986 54.000 -0.062 0.000 0.880 78 D CB 1.266 42.013 40.800 -0.088 0.000 1.182 78 D HN 0.512 nan 8.370 nan 0.000 0.451 79 L N 1.570 122.805 121.223 0.020 0.000 2.463 79 L HA 0.247 4.587 4.340 -0.000 0.000 0.219 79 L C 0.262 177.229 176.870 0.162 0.000 1.088 79 L CA 0.120 55.003 54.840 0.072 0.000 0.849 79 L CB 0.253 42.348 42.059 0.061 0.000 1.012 79 L HN 0.288 nan 8.230 nan 0.000 0.468 80 F N -0.052 119.860 119.950 -0.064 0.000 2.654 80 F HA 0.562 5.090 4.527 0.000 0.000 0.314 80 F C -1.782 173.980 175.800 -0.064 0.000 1.116 80 F CA -0.958 57.017 58.000 -0.041 0.000 1.017 80 F CB 1.294 40.284 39.000 -0.018 0.000 1.285 80 F HN -0.435 nan 8.300 nan 0.000 0.448 81 V N 4.339 123.766 119.914 -0.813 0.000 2.686 81 V HA 0.928 5.048 4.120 -0.000 0.000 0.306 81 V C -0.872 174.710 176.094 -0.852 0.000 1.065 81 V CA -0.390 61.514 62.300 -0.660 0.000 0.894 81 V CB 1.538 33.166 31.823 -0.325 0.000 1.004 81 V HN 1.138 nan 8.190 nan 0.000 0.424 82 A N 4.147 126.601 122.820 -0.610 0.000 2.398 82 A HA 0.932 5.252 4.320 -0.000 0.000 0.301 82 A C -0.907 176.710 177.584 0.055 0.000 1.041 82 A CA -0.707 51.181 52.037 -0.248 0.000 0.711 82 A CB 1.310 20.287 19.000 -0.038 0.000 1.240 82 A HN 0.929 nan 8.150 nan 0.000 0.420 83 N N 0.041 118.827 118.700 0.143 0.000 2.238 83 N HA 0.660 5.400 4.740 -0.000 0.000 0.302 83 N C -0.731 174.916 175.510 0.227 0.000 1.072 83 N CA -0.746 52.433 53.050 0.216 0.000 0.792 83 N CB 2.551 41.087 38.487 0.081 0.000 1.425 83 N HN 0.803 nan 8.380 nan 0.000 0.478 84 V N -1.536 118.510 119.914 0.221 0.000 2.962 84 V HA 0.558 4.678 4.120 -0.000 0.000 0.313 84 V C -0.789 175.396 176.094 0.150 0.000 1.099 84 V CA -0.933 61.438 62.300 0.119 0.000 0.971 84 V CB 1.966 33.767 31.823 -0.037 0.000 1.028 84 V HN 0.764 nan 8.190 nan 0.000 0.430 85 Q N 1.796 121.662 119.800 0.110 0.000 2.360 85 Q HA 0.446 4.786 4.340 -0.000 0.000 0.254 85 Q C 0.201 176.166 176.000 -0.059 0.000 0.975 85 Q CA -0.228 55.559 55.803 -0.028 0.000 0.912 85 Q CB 1.691 30.401 28.738 -0.047 0.000 1.212 85 Q HN 0.964 nan 8.270 nan 0.000 0.452 86 S N 4.236 119.890 115.700 -0.076 0.000 2.478 86 S HA 0.187 4.657 4.470 -0.000 0.000 0.222 86 S C -0.392 174.182 174.600 -0.044 0.000 1.008 86 S CA 0.034 58.242 58.200 0.014 0.000 0.928 86 S CB 0.311 63.576 63.200 0.110 0.000 0.781 86 S HN 0.666 nan 8.310 nan 0.000 0.518 87 F N 1.935 121.666 119.950 -0.365 0.000 2.653 87 F HA 0.373 4.900 4.527 0.000 0.000 0.327 87 F C -3.317 172.226 175.800 -0.428 0.000 1.195 87 F CA -2.631 55.041 58.000 -0.546 0.000 0.993 87 F CB 1.795 40.387 39.000 -0.680 0.000 1.259 87 F HN -0.108 nan 8.300 nan 0.000 0.478 88 P HA 0.245 nan 4.420 nan 0.000 0.275 88 P C -2.199 175.087 177.300 -0.024 0.000 1.228 88 P CA -0.732 62.489 63.100 0.202 0.000 0.786 88 P CB 0.902 32.694 31.700 0.154 0.000 0.927 89 P HA -0.222 nan 4.420 nan 0.000 0.219 89 P C -0.401 176.900 177.300 0.002 0.000 0.910 89 P CA 1.792 64.887 63.100 -0.008 0.000 1.033 89 P CB -0.424 31.296 31.700 0.033 0.000 0.630 90 A N -3.771 119.054 122.820 0.009 0.000 2.436 90 A HA -0.072 4.248 4.320 -0.000 0.000 0.686 90 A C -2.125 175.468 177.584 0.014 0.000 0.139 90 A CA -0.086 51.958 52.037 0.012 0.000 0.025 90 A CB -2.463 16.544 19.000 0.012 0.000 3.974 90 A HN 0.249 nan 8.150 nan 0.000 0.548 91 P HA 0.079 nan 4.420 nan 0.000 0.310 91 P C 1.051 178.363 177.300 0.020 0.000 1.512 91 P CA 0.950 64.060 63.100 0.016 0.000 0.753 91 P CB 0.110 31.819 31.700 0.015 0.000 1.608 92 E N 1.628 121.841 120.200 0.022 0.000 2.136 92 E HA -0.217 4.133 4.350 -0.000 0.000 0.202 92 E C 0.453 177.069 176.600 0.027 0.000 1.019 92 E CA 2.225 58.643 56.400 0.029 0.000 0.819 92 E CB -0.551 29.166 29.700 0.028 0.000 0.739 92 E HN 0.355 nan 8.360 nan 0.000 0.458 93 D N -0.609 119.801 120.400 0.017 0.000 2.591 93 D HA 0.263 4.903 4.640 -0.000 0.000 0.222 93 D C -1.162 175.142 176.300 0.008 0.000 1.360 93 D CA -0.355 53.653 54.000 0.013 0.000 0.967 93 D CB 0.325 41.124 40.800 -0.002 0.000 1.456 93 D HN 0.285 nan 8.370 nan 0.000 0.588 94 K N 1.431 121.838 120.400 0.012 0.000 2.440 94 K HA 0.134 4.454 4.320 -0.000 0.000 0.275 94 K C -0.048 176.552 176.600 0.001 0.000 1.082 94 K CA -0.163 56.129 56.287 0.007 0.000 1.135 94 K CB 0.500 33.006 32.500 0.010 0.000 0.864 94 K HN 0.165 nan 8.250 nan 0.000 0.479 95 K N 3.796 124.192 120.400 -0.005 0.000 2.758 95 K HA 0.126 4.446 4.320 -0.000 0.000 0.250 95 K C -2.390 174.199 176.600 -0.017 0.000 1.268 95 K CA -1.914 54.364 56.287 -0.015 0.000 1.228 95 K CB 0.162 32.652 32.500 -0.018 0.000 1.715 95 K HN 0.468 nan 8.250 nan 0.000 0.334 96 P HA -0.008 nan 4.420 nan 0.000 0.262 96 P C -0.227 177.061 177.300 -0.019 0.000 1.455 96 P CA -0.322 62.770 63.100 -0.012 0.000 1.217 96 P CB -0.010 31.688 31.700 -0.004 0.000 1.625 97 L N 2.697 123.903 121.223 -0.029 0.000 2.573 97 L HA -0.026 4.313 4.340 -0.000 0.000 0.290 97 L C 1.453 178.305 176.870 -0.031 0.000 1.247 97 L CA 1.152 55.969 54.840 -0.038 0.000 0.876 97 L CB -0.462 41.569 42.059 -0.048 0.000 1.123 97 L HN 0.339 nan 8.230 nan 0.000 0.505 98 T N 0.012 114.547 114.554 -0.032 0.000 2.874 98 T HA 0.310 4.660 4.350 -0.000 0.000 0.281 98 T C 1.182 175.867 174.700 -0.025 0.000 0.994 98 T CA -0.688 61.401 62.100 -0.019 0.000 1.015 98 T CB 1.082 69.946 68.868 -0.007 0.000 1.028 98 T HN 0.517 nan 8.240 nan 0.000 0.523 99 R N 0.192 120.681 120.500 -0.019 0.000 2.096 99 R HA -0.058 4.282 4.340 -0.000 0.000 0.240 99 R C 2.121 178.403 176.300 -0.029 0.000 1.139 99 R CA 1.669 57.754 56.100 -0.025 0.000 0.952 99 R CB -1.589 28.698 30.300 -0.021 0.000 0.854 99 R HN 0.678 nan 8.270 nan 0.000 0.436 100 L N 0.933 122.145 121.223 -0.019 0.000 2.042 100 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 100 L C 2.022 178.874 176.870 -0.031 0.000 1.076 100 L CA 1.943 56.773 54.840 -0.016 0.000 0.749 100 L CB -0.599 41.467 42.059 0.011 0.000 0.893 100 L HN 0.349 nan 8.230 nan 0.000 0.432 101 Q N -0.885 118.890 119.800 -0.042 0.000 2.124 101 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 101 Q C 2.124 178.079 176.000 -0.074 0.000 0.977 101 Q CA 1.773 57.535 55.803 -0.067 0.000 0.850 101 Q CB -0.136 28.552 28.738 -0.083 0.000 0.901 101 Q HN 0.640 nan 8.270 nan 0.000 0.429 102 E N 0.536 120.698 120.200 -0.063 0.000 2.031 102 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 102 E C 2.041 178.599 176.600 -0.070 0.000 0.994 102 E CA 0.828 57.187 56.400 -0.067 0.000 0.800 102 E CB 0.029 29.696 29.700 -0.055 0.000 0.752 102 E HN 0.282 nan 8.360 nan 0.000 0.447 103 R N 0.467 120.931 120.500 -0.060 0.000 2.152 103 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 103 R C 2.430 178.688 176.300 -0.070 0.000 1.117 103 R CA 0.799 56.861 56.100 -0.062 0.000 0.981 103 R CB -0.393 29.872 30.300 -0.058 0.000 0.870 103 R HN 0.235 nan 8.270 nan 0.000 0.451 104 L N 0.531 121.710 121.223 -0.073 0.000 2.109 104 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 104 L C 2.412 179.205 176.870 -0.129 0.000 1.086 104 L CA 0.974 55.758 54.840 -0.092 0.000 0.760 104 L CB -0.257 41.747 42.059 -0.092 0.000 0.910 104 L HN 0.110 nan 8.230 nan 0.000 0.437 105 I N -0.317 120.176 120.570 -0.128 0.000 2.315 105 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 105 I C 2.440 178.480 176.117 -0.129 0.000 1.117 105 I CA 1.191 62.399 61.300 -0.154 0.000 1.404 105 I CB -0.234 37.664 38.000 -0.170 0.000 1.071 105 I HN 0.220 nan 8.210 nan 0.000 0.419 106 K N 0.908 121.248 120.400 -0.101 0.000 1.985 106 K HA -0.240 4.080 4.320 -0.000 0.000 0.210 106 K C 2.180 178.740 176.600 -0.065 0.000 1.047 106 K CA 1.486 57.724 56.287 -0.080 0.000 0.932 106 K CB -0.221 32.238 32.500 -0.067 0.000 0.716 106 K HN -0.038 nan 8.250 nan 0.000 0.439 107 K N 1.224 121.590 120.400 -0.057 0.000 2.044 107 K HA -0.098 4.221 4.320 -0.000 0.000 0.210 107 K C 0.999 177.591 176.600 -0.014 0.000 1.049 107 K CA 1.262 57.534 56.287 -0.025 0.000 0.927 107 K CB -0.332 32.163 32.500 -0.008 0.000 0.713 107 K HN 0.013 nan 8.250 nan 0.000 0.443 108 L N -1.595 119.592 121.223 -0.060 0.000 2.744 108 L HA 0.317 4.657 4.340 -0.000 0.000 0.218 108 L C 1.450 178.287 176.870 -0.055 0.000 1.190 108 L CA -0.428 54.375 54.840 -0.063 0.000 0.869 108 L CB -0.002 41.962 42.059 -0.157 0.000 1.652 108 L HN 0.261 nan 8.230 nan 0.000 0.519 109 G N -0.966 107.816 108.800 -0.031 0.000 2.695 109 G HA2 0.175 4.135 3.960 -0.000 0.000 0.213 109 G HA3 0.175 4.135 3.960 -0.000 0.000 0.213 109 G C 0.433 175.234 174.900 -0.165 0.000 1.406 109 G CA -0.092 44.979 45.100 -0.048 0.000 1.049 109 G HN 0.765 nan 8.290 nan 0.000 0.573 110 E N -0.775 119.272 120.200 -0.255 0.000 2.511 110 E HA -0.015 4.335 4.350 -0.000 0.000 0.196 110 E C 0.593 176.820 176.600 -0.620 0.000 1.066 110 E CA 0.500 56.638 56.400 -0.436 0.000 0.871 110 E CB -0.139 29.305 29.700 -0.426 0.000 0.863 110 E HN 0.521 nan 8.360 nan 0.000 0.520 111 H N 0.616 119.608 119.070 -0.130 0.000 2.549 111 H HA 0.363 4.919 4.556 -0.000 0.000 0.279 111 H C 0.030 175.327 175.328 -0.052 0.000 1.018 111 H CA 0.271 56.333 56.048 0.024 0.000 1.175 111 H CB 0.628 30.490 29.762 0.166 0.000 1.485 111 H HN 0.191 nan 8.280 nan 0.000 0.543 112 A N 1.261 123.926 122.820 -0.259 0.000 2.269 112 A HA 0.450 4.769 4.320 -0.000 0.000 0.302 112 A C -1.116 176.164 177.584 -0.507 0.000 1.266 112 A CA -0.256 51.657 52.037 -0.206 0.000 0.894 112 A CB -0.175 18.712 19.000 -0.188 0.000 1.147 112 A HN 0.149 nan 8.150 nan 0.000 0.537 113 Y N 3.653 123.947 120.300 -0.009 0.000 2.393 113 Y HA 0.502 5.052 4.550 -0.000 0.000 0.341 113 Y C -2.011 173.915 175.900 0.044 0.000 0.988 113 Y CA -2.381 55.700 58.100 -0.033 0.000 1.078 113 Y CB 2.050 40.474 38.460 -0.059 0.000 1.203 113 Y HN 0.522 nan 8.280 nan 0.000 0.453 114 P HA 0.306 nan 4.420 nan 0.000 0.279 114 P C -1.221 176.157 177.300 0.129 0.000 1.252 114 P CA -0.231 62.893 63.100 0.039 0.000 0.811 114 P CB 1.256 32.931 31.700 -0.042 0.000 1.035 115 F N -1.894 118.036 119.950 -0.033 0.000 2.591 115 F HA 0.766 5.293 4.527 0.000 0.000 0.309 115 F C -1.332 174.332 175.800 -0.227 0.000 1.098 115 F CA -0.751 57.152 58.000 -0.163 0.000 0.937 115 F CB 1.497 40.407 39.000 -0.150 0.000 1.250 115 F HN 0.118 nan 8.300 nan 0.000 0.447 116 T N 3.257 117.660 114.554 -0.252 0.000 2.952 116 T HA 0.668 5.018 4.350 -0.000 0.000 0.305 116 T C -1.582 172.907 174.700 -0.352 0.000 1.064 116 T CA -0.579 61.377 62.100 -0.241 0.000 1.008 116 T CB 1.346 70.143 68.868 -0.118 0.000 1.078 116 T HN 0.542 nan 8.240 nan 0.000 0.459 117 F N 0.988 121.024 119.950 0.144 0.000 2.576 117 F HA 0.496 5.023 4.527 -0.000 0.000 0.313 117 F C 0.378 176.234 175.800 0.093 0.000 1.078 117 F CA -0.988 57.102 58.000 0.149 0.000 0.921 117 F CB 2.094 41.200 39.000 0.177 0.000 1.232 117 F HN 0.376 nan 8.300 nan 0.000 0.459 118 E N 3.442 123.835 120.200 0.322 0.000 2.145 118 E HA 0.403 4.753 4.350 -0.000 0.000 0.262 118 E C -0.951 175.726 176.600 0.128 0.000 0.883 118 E CA -0.494 56.013 56.400 0.178 0.000 0.748 118 E CB 2.175 31.958 29.700 0.138 0.000 1.140 118 E HN 0.458 nan 8.360 nan 0.000 0.417 119 I N 4.926 125.513 120.570 0.029 0.000 2.396 119 I HA 0.130 4.300 4.170 -0.000 0.000 0.289 119 I C -2.092 173.916 176.117 -0.181 0.000 1.056 119 I CA -1.923 59.294 61.300 -0.138 0.000 1.365 119 I CB 0.319 38.252 38.000 -0.112 0.000 1.407 119 I HN 0.159 nan 8.210 nan 0.000 0.509 120 P HA 0.017 nan 4.420 nan 0.000 0.264 120 P C -2.083 175.148 177.300 -0.115 0.000 1.183 120 P CA -0.702 62.270 63.100 -0.214 0.000 0.763 120 P CB 0.149 31.654 31.700 -0.324 0.000 0.807 121 P HA -0.084 nan 4.420 nan 0.000 0.221 121 P C 0.694 178.002 177.300 0.012 0.000 1.150 121 P CA 1.189 64.291 63.100 0.003 0.000 0.800 121 P CB -0.017 31.701 31.700 0.029 0.000 0.787 122 N N -0.689 118.013 118.700 0.003 0.000 2.571 122 N HA -0.003 4.737 4.740 -0.000 0.000 0.189 122 N C 0.501 176.030 175.510 0.031 0.000 1.154 122 N CA 0.467 53.529 53.050 0.021 0.000 0.907 122 N CB -0.400 38.099 38.487 0.020 0.000 0.977 122 N HN 0.259 nan 8.380 nan 0.000 0.449 123 L N 2.127 123.366 121.223 0.027 0.000 2.436 123 L HA 0.235 4.574 4.340 -0.000 0.000 0.265 123 L C -1.752 175.196 176.870 0.130 0.000 1.168 123 L CA -1.605 53.278 54.840 0.072 0.000 0.815 123 L CB 0.360 42.466 42.059 0.079 0.000 1.109 123 L HN -0.084 nan 8.230 nan 0.000 0.462 124 P HA 0.049 nan 4.420 nan 0.000 0.271 124 P C -0.605 176.855 177.300 0.267 0.000 1.218 124 P CA -0.503 62.700 63.100 0.172 0.000 0.780 124 P CB 0.775 32.569 31.700 0.157 0.000 0.901 125 C N 1.400 120.827 119.300 0.212 0.000 2.639 125 C HA 0.136 4.595 4.460 -0.000 0.000 0.360 125 C C 1.334 176.492 174.990 0.280 0.000 1.351 125 C CA 0.106 59.252 59.018 0.215 0.000 2.408 125 C CB -0.374 27.450 27.740 0.140 0.000 2.517 125 C HN 0.568 nan 8.230 nan 0.000 0.696 126 S N 0.405 116.263 115.700 0.265 0.000 2.537 126 S HA 0.386 4.856 4.470 -0.000 0.000 0.286 126 S C -0.330 174.380 174.600 0.184 0.000 1.299 126 S CA -0.161 58.196 58.200 0.262 0.000 1.067 126 S CB 0.564 63.892 63.200 0.214 0.000 0.864 126 S HN 0.705 nan 8.310 nan 0.000 0.494 127 V N 3.681 123.692 119.914 0.160 0.000 2.969 127 V HA 0.668 4.788 4.120 -0.000 0.000 0.304 127 V C -1.158 174.986 176.094 0.083 0.000 1.192 127 V CA -0.342 62.035 62.300 0.128 0.000 0.962 127 V CB 2.623 34.534 31.823 0.147 0.000 1.045 127 V HN 0.830 nan 8.190 nan 0.000 0.428 128 T N 6.917 121.502 114.554 0.052 0.000 2.881 128 T HA 0.495 4.845 4.350 -0.000 0.000 0.291 128 T C -0.848 173.834 174.700 -0.029 0.000 0.990 128 T CA -0.173 61.927 62.100 0.000 0.000 0.976 128 T CB 1.274 70.139 68.868 -0.006 0.000 0.970 128 T HN 0.780 nan 8.240 nan 0.000 0.438 129 L N 3.784 124.968 121.223 -0.064 0.000 2.264 129 L HA 0.445 4.785 4.340 -0.000 0.000 0.289 129 L C -0.267 176.506 176.870 -0.162 0.000 1.044 129 L CA -0.419 54.347 54.840 -0.124 0.000 0.807 129 L CB 0.750 42.724 42.059 -0.140 0.000 1.192 129 L HN 0.426 nan 8.230 nan 0.000 0.425 130 Q N 7.226 126.928 119.800 -0.164 0.000 2.377 130 Q HA 0.262 4.602 4.340 -0.000 0.000 0.249 130 Q C -1.863 174.025 176.000 -0.186 0.000 1.005 130 Q CA -1.932 53.784 55.803 -0.145 0.000 0.912 130 Q CB 1.353 30.029 28.738 -0.104 0.000 1.223 130 Q HN 0.504 nan 8.270 nan 0.000 0.459 131 P HA -0.005 nan 4.420 nan 0.000 0.227 131 P C 0.115 177.383 177.300 -0.052 0.000 1.161 131 P CA 0.771 63.793 63.100 -0.130 0.000 0.788 131 P CB 0.721 32.370 31.700 -0.084 0.000 0.822 132 G N 1.212 109.981 108.800 -0.051 0.000 2.770 132 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.686 132 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.686 132 G C -2.178 172.712 174.900 -0.016 0.000 1.180 132 G CA -0.279 44.806 45.100 -0.024 0.000 0.767 132 G HN -0.113 nan 8.290 nan 0.000 0.646 133 P HA -0.150 nan 4.420 nan 0.000 0.217 133 P C 1.117 178.416 177.300 -0.002 0.000 1.148 133 P CA 1.483 64.576 63.100 -0.012 0.000 0.834 133 P CB 0.280 31.973 31.700 -0.011 0.000 0.783 134 E N -0.384 119.820 120.200 0.007 0.000 2.371 134 E HA -0.040 4.310 4.350 -0.000 0.000 0.194 134 E C 0.452 177.066 176.600 0.024 0.000 1.012 134 E CA 0.748 57.157 56.400 0.015 0.000 0.860 134 E CB -0.051 29.661 29.700 0.020 0.000 0.811 134 E HN 0.381 nan 8.360 nan 0.000 0.502 135 D N -0.021 120.394 120.400 0.025 0.000 2.804 135 D HA 0.017 4.657 4.640 -0.000 0.000 0.308 135 D C 1.119 177.426 176.300 0.011 0.000 1.371 135 D CA 0.140 54.163 54.000 0.038 0.000 0.823 135 D CB 0.692 41.535 40.800 0.071 0.000 1.126 135 D HN 0.079 nan 8.370 nan 0.000 0.467 136 T N -2.546 112.004 114.554 -0.006 0.000 2.897 136 T HA -0.128 4.222 4.350 -0.000 0.000 0.271 136 T C 1.921 176.594 174.700 -0.046 0.000 1.084 136 T CA 1.234 63.314 62.100 -0.033 0.000 1.123 136 T CB -0.174 68.677 68.868 -0.029 0.000 0.865 136 T HN 0.162 nan 8.240 nan 0.000 0.496 137 G N 0.616 109.411 108.800 -0.008 0.000 2.920 137 G HA2 0.099 4.059 3.960 -0.000 0.000 0.208 137 G HA3 0.099 4.059 3.960 -0.000 0.000 0.208 137 G C 1.292 176.181 174.900 -0.018 0.000 1.159 137 G CA -0.244 44.860 45.100 0.008 0.000 0.784 137 G HN 0.525 nan 8.290 nan 0.000 0.535 138 K N 0.316 120.677 120.400 -0.065 0.000 2.399 138 K HA 0.400 4.719 4.320 -0.000 0.000 0.204 138 K C 0.971 177.314 176.600 -0.428 0.000 1.023 138 K CA -0.312 55.881 56.287 -0.156 0.000 1.127 138 K CB 0.950 33.532 32.500 0.138 0.000 0.856 138 K HN 0.227 nan 8.250 nan 0.000 0.514 139 A N 1.208 123.813 122.820 -0.359 0.000 2.445 139 A HA 0.329 4.649 4.320 -0.000 0.000 0.242 139 A C 0.427 177.716 177.584 -0.490 0.000 1.075 139 A CA -0.303 51.541 52.037 -0.323 0.000 0.777 139 A CB -0.149 18.724 19.000 -0.212 0.000 1.013 139 A HN 0.551 nan 8.150 nan 0.000 0.493 140 C N -1.185 117.911 119.300 -0.340 0.000 3.295 140 C HA 1.024 5.484 4.460 -0.000 0.000 0.341 140 C C 0.073 174.918 174.990 -0.241 0.000 1.418 140 C CA -0.024 58.778 59.018 -0.360 0.000 1.240 140 C CB 1.013 28.598 27.740 -0.257 0.000 1.562 140 C HN 2.472 nan 8.230 nan 0.000 0.457 141 G N -0.693 107.895 108.800 -0.353 0.000 2.313 141 G HA2 0.566 4.526 3.960 -0.000 0.000 0.296 141 G HA3 0.566 4.526 3.960 -0.000 0.000 0.296 141 G C -2.261 172.557 174.900 -0.137 0.000 1.356 141 G CA 0.021 45.035 45.100 -0.142 0.000 0.833 141 G HN 1.607 nan 8.290 nan 0.000 0.552 142 V N 1.491 121.432 119.914 0.046 0.000 2.448 142 V HA 0.587 4.706 4.120 -0.000 0.000 0.295 142 V C -0.941 175.190 176.094 0.061 0.000 1.025 142 V CA -0.634 61.716 62.300 0.083 0.000 0.859 142 V CB 1.597 33.528 31.823 0.178 0.000 0.988 142 V HN 0.687 nan 8.190 nan 0.000 0.431 143 D N 2.777 123.167 120.400 -0.017 0.000 2.527 143 D HA 0.468 5.108 4.640 -0.000 0.000 0.233 143 D C -1.490 174.775 176.300 -0.058 0.000 1.063 143 D CA -0.283 53.743 54.000 0.042 0.000 0.880 143 D CB 2.852 43.660 40.800 0.014 0.000 1.457 143 D HN 0.369 nan 8.370 nan 0.000 0.475 144 Y N 0.709 121.036 120.300 0.046 0.000 2.352 144 Y HA 0.268 4.818 4.550 0.000 0.000 0.339 144 Y C 0.324 176.231 175.900 0.013 0.000 0.992 144 Y CA -0.567 57.552 58.100 0.031 0.000 1.100 144 Y CB 1.860 40.345 38.460 0.041 0.000 1.192 144 Y HN 0.213 nan 8.280 nan 0.000 0.458 145 E N 2.784 123.034 120.200 0.084 0.000 2.224 145 E HA 0.568 4.918 4.350 -0.000 0.000 0.265 145 E C -1.892 174.688 176.600 -0.035 0.000 0.878 145 E CA -0.685 55.728 56.400 0.021 0.000 0.759 145 E CB 1.584 31.270 29.700 -0.024 0.000 1.164 145 E HN 0.455 nan 8.360 nan 0.000 0.414 146 V N 5.174 125.064 119.914 -0.041 0.000 2.370 146 V HA 0.318 4.438 4.120 -0.000 0.000 0.279 146 V C -0.170 175.883 176.094 -0.068 0.000 1.029 146 V CA -0.405 61.850 62.300 -0.075 0.000 0.870 146 V CB 1.307 33.123 31.823 -0.012 0.000 0.984 146 V HN 0.569 nan 8.190 nan 0.000 0.451 147 K N 4.234 124.610 120.400 -0.040 0.000 2.535 147 K HA 0.752 5.071 4.320 -0.000 0.000 0.253 147 K C -0.608 176.058 176.600 0.109 0.000 0.953 147 K CA -0.444 55.867 56.287 0.041 0.000 0.863 147 K CB 1.535 34.083 32.500 0.080 0.000 1.111 147 K HN 0.757 nan 8.250 nan 0.000 0.431 148 A N 4.624 127.472 122.820 0.047 0.000 2.292 148 A HA 0.716 5.036 4.320 -0.000 0.000 0.319 148 A C -1.000 176.679 177.584 0.157 0.000 1.206 148 A CA -0.610 51.417 52.037 -0.016 0.000 0.835 148 A CB -0.085 18.865 19.000 -0.083 0.000 1.164 148 A HN 0.692 nan 8.150 nan 0.000 0.505 149 F N -0.300 119.677 119.950 0.046 0.000 2.619 149 F HA 0.616 5.143 4.527 0.001 0.000 0.308 149 F C -0.864 174.997 175.800 0.102 0.000 1.097 149 F CA -1.466 56.576 58.000 0.070 0.000 0.953 149 F CB 0.449 39.486 39.000 0.060 0.000 1.287 149 F HN 0.403 nan 8.300 nan 0.000 0.446 150 C N 3.081 122.545 119.300 0.272 0.000 2.325 150 C HA 0.935 5.395 4.460 -0.000 0.000 0.347 150 C C 0.427 175.570 174.990 0.255 0.000 1.263 150 C CA 0.053 59.162 59.018 0.152 0.000 1.806 150 C CB -0.695 27.125 27.740 0.133 0.000 2.405 150 C HN 1.092 nan 8.230 nan 0.000 0.537 151 A N 2.722 125.673 122.820 0.219 0.000 2.610 151 A HA 0.612 4.932 4.320 -0.000 0.000 0.291 151 A C 0.193 177.894 177.584 0.195 0.000 1.086 151 A CA -0.498 51.703 52.037 0.273 0.000 0.677 151 A CB 0.740 20.033 19.000 0.487 0.000 1.278 151 A HN 0.727 nan 8.150 nan 0.000 0.414 152 E N -0.097 120.194 120.200 0.152 0.000 2.230 152 E HA 0.027 4.377 4.350 -0.000 0.000 0.192 152 E C 0.223 176.936 176.600 0.189 0.000 0.987 152 E CA 0.986 57.447 56.400 0.101 0.000 0.841 152 E CB 0.175 29.904 29.700 0.048 0.000 0.783 152 E HN 0.526 nan 8.360 nan 0.000 0.481 153 N N -1.295 117.551 118.700 0.242 0.000 3.046 153 N HA 0.112 4.852 4.740 -0.000 0.000 0.243 153 N C -0.914 174.616 175.510 0.033 0.000 1.452 153 N CA -0.475 52.693 53.050 0.197 0.000 0.882 153 N CB 0.785 39.325 38.487 0.089 0.000 1.425 153 N HN -0.157 nan 8.380 nan 0.000 0.517 154 L N 1.024 122.135 121.223 -0.187 0.000 2.675 154 L HA 0.209 4.549 4.340 -0.000 0.000 0.239 154 L C 0.907 177.708 176.870 -0.115 0.000 1.151 154 L CA 0.600 55.299 54.840 -0.236 0.000 0.905 154 L CB -0.228 41.629 42.059 -0.337 0.000 1.057 154 L HN 0.591 nan 8.230 nan 0.000 0.435 155 E N -0.501 119.661 120.200 -0.063 0.000 2.307 155 E HA -0.027 4.322 4.350 -0.000 0.000 0.195 155 E C 0.564 177.133 176.600 -0.052 0.000 0.975 155 E CA 0.014 56.382 56.400 -0.054 0.000 0.878 155 E CB 0.557 30.238 29.700 -0.032 0.000 0.845 155 E HN 0.213 nan 8.360 nan 0.000 0.488 156 E N 1.664 121.845 120.200 -0.032 0.000 2.283 156 E HA 0.124 4.474 4.350 -0.000 0.000 0.267 156 E C -0.752 175.805 176.600 -0.071 0.000 1.045 156 E CA -0.412 55.967 56.400 -0.035 0.000 0.884 156 E CB 0.717 30.417 29.700 -0.000 0.000 1.106 156 E HN -0.204 nan 8.360 nan 0.000 0.408 157 K N 2.030 122.378 120.400 -0.086 0.000 2.448 157 K HA 0.130 4.450 4.320 -0.000 0.000 0.278 157 K C -0.071 176.447 176.600 -0.137 0.000 1.009 157 K CA 0.205 56.411 56.287 -0.135 0.000 0.995 157 K CB 0.296 32.711 32.500 -0.142 0.000 0.917 157 K HN 0.474 nan 8.250 nan 0.000 0.481 158 I N 2.957 123.400 120.570 -0.212 0.000 2.428 158 I HA 0.038 4.208 4.170 -0.000 0.000 0.289 158 I C 0.593 176.638 176.117 -0.119 0.000 1.019 158 I CA -0.415 60.771 61.300 -0.190 0.000 1.351 158 I CB 0.571 38.326 38.000 -0.409 0.000 1.412 158 I HN 0.434 nan 8.210 nan 0.000 0.513 159 H N 6.343 125.401 119.070 -0.020 0.000 2.489 159 H HA 0.241 4.797 4.556 -0.001 0.000 0.322 159 H C 0.468 175.802 175.328 0.010 0.000 1.091 159 H CA -0.202 55.847 56.048 0.002 0.000 1.291 159 H CB 1.648 31.430 29.762 0.034 0.000 1.436 159 H HN 0.558 nan 8.280 nan 0.000 0.480 160 K N 3.007 123.504 120.400 0.162 0.000 2.280 160 K HA -0.082 4.238 4.320 -0.000 0.000 0.202 160 K C 1.583 178.244 176.600 0.101 0.000 1.047 160 K CA 0.846 57.191 56.287 0.096 0.000 0.942 160 K CB 0.371 32.902 32.500 0.052 0.000 0.739 160 K HN 0.477 nan 8.250 nan 0.000 0.457 161 R N 0.258 120.836 120.500 0.129 0.000 2.200 161 R HA 0.006 4.346 4.340 -0.000 0.000 0.208 161 R C 1.241 177.577 176.300 0.060 0.000 1.033 161 R CA 0.649 56.782 56.100 0.055 0.000 1.000 161 R CB -0.144 30.161 30.300 0.008 0.000 0.906 161 R HN 0.097 nan 8.270 nan 0.000 0.462 162 N N 0.566 119.342 118.700 0.127 0.000 2.383 162 N HA -0.023 4.717 4.740 -0.000 0.000 0.192 162 N C -0.647 174.968 175.510 0.174 0.000 1.141 162 N CA 0.089 53.244 53.050 0.174 0.000 0.851 162 N CB 0.521 39.149 38.487 0.234 0.000 0.976 162 N HN 0.162 nan 8.380 nan 0.000 0.465 163 S N -2.168 113.610 115.700 0.130 0.000 2.685 163 S HA 0.680 5.150 4.470 -0.000 0.000 0.282 163 S C -1.126 173.516 174.600 0.071 0.000 1.159 163 S CA -0.851 57.430 58.200 0.135 0.000 0.833 163 S CB 2.154 65.446 63.200 0.152 0.000 1.151 163 S HN -0.166 nan 8.310 nan 0.000 0.485 164 V N 0.463 120.415 119.914 0.063 0.000 2.851 164 V HA 0.722 4.842 4.120 -0.000 0.000 0.307 164 V C -1.814 174.276 176.094 -0.007 0.000 1.129 164 V CA -0.644 61.664 62.300 0.012 0.000 0.932 164 V CB 2.039 33.856 31.823 -0.010 0.000 1.024 164 V HN 1.025 nan 8.190 nan 0.000 0.426 165 R N 5.570 126.050 120.500 -0.033 0.000 2.561 165 R HA 0.764 5.104 4.340 -0.000 0.000 0.297 165 R C -1.864 174.372 176.300 -0.107 0.000 0.969 165 R CA -0.690 55.378 56.100 -0.052 0.000 0.879 165 R CB 2.054 32.337 30.300 -0.028 0.000 1.178 165 R HN 0.545 nan 8.270 nan 0.000 0.445 166 L N 2.438 123.554 121.223 -0.179 0.000 2.362 166 L HA 0.432 4.772 4.340 -0.000 0.000 0.275 166 L C -0.510 176.289 176.870 -0.118 0.000 0.998 166 L CA -0.772 53.842 54.840 -0.377 0.000 0.820 166 L CB 2.144 43.673 42.059 -0.884 0.000 1.270 166 L HN 0.303 nan 8.230 nan 0.000 0.415 167 V N 4.584 124.562 119.914 0.108 0.000 2.334 167 V HA 0.406 4.525 4.120 -0.000 0.000 0.267 167 V C 0.360 176.668 176.094 0.356 0.000 1.040 167 V CA -0.428 61.991 62.300 0.199 0.000 0.866 167 V CB 0.662 32.593 31.823 0.179 0.000 1.019 167 V HN 0.633 nan 8.190 nan 0.000 0.468 168 I N 3.120 123.880 120.570 0.318 0.000 2.918 168 I HA 0.718 4.888 4.170 -0.000 0.000 0.316 168 I C 0.032 176.306 176.117 0.261 0.000 1.001 168 I CA -1.001 60.537 61.300 0.396 0.000 1.142 168 I CB 1.269 39.526 38.000 0.428 0.000 1.356 168 I HN 0.370 nan 8.210 nan 0.000 0.524 169 R N 1.664 122.283 120.500 0.199 0.000 2.740 169 R HA 0.465 4.805 4.340 -0.000 0.000 0.282 169 R C -1.068 175.222 176.300 -0.015 0.000 0.969 169 R CA -1.019 55.132 56.100 0.084 0.000 0.918 169 R CB 2.390 32.715 30.300 0.042 0.000 1.175 169 R HN 0.572 nan 8.270 nan 0.000 0.464 170 K N 2.584 122.866 120.400 -0.197 0.000 2.293 170 K HA 0.324 4.644 4.320 -0.000 0.000 0.267 170 K C -0.604 175.935 176.600 -0.100 0.000 1.010 170 K CA -0.574 55.567 56.287 -0.245 0.000 0.875 170 K CB 1.177 33.343 32.500 -0.557 0.000 1.106 170 K HN 0.455 nan 8.250 nan 0.000 0.450 171 V N 0.923 120.768 119.914 -0.115 0.000 2.815 171 V HA 0.521 4.641 4.120 -0.000 0.000 0.314 171 V C -0.925 175.139 176.094 -0.051 0.000 1.064 171 V CA -1.004 61.227 62.300 -0.116 0.000 0.952 171 V CB 1.625 33.196 31.823 -0.420 0.000 1.020 171 V HN 0.784 nan 8.190 nan 0.000 0.439 172 Q N 2.038 121.872 119.800 0.058 0.000 2.290 172 Q HA 0.545 4.885 4.340 -0.000 0.000 0.259 172 Q C -1.479 174.635 176.000 0.189 0.000 0.941 172 Q CA -0.304 55.556 55.803 0.096 0.000 0.912 172 Q CB 1.437 30.235 28.738 0.100 0.000 1.244 172 Q HN 0.905 nan 8.270 nan 0.000 0.441 173 Y N 2.396 122.696 120.300 0.000 0.000 2.562 173 Y HA 0.833 5.383 4.550 -0.000 0.000 0.343 173 Y C -1.612 174.338 175.900 0.084 0.000 1.025 173 Y CA -0.748 57.390 58.100 0.063 0.000 1.082 173 Y CB 1.925 40.367 38.460 -0.030 0.000 1.264 173 Y HN 0.726 nan 8.280 nan 0.000 0.478 174 A N 5.829 128.170 122.820 -0.798 0.000 2.513 174 A HA 0.597 4.916 4.320 -0.000 0.000 0.296 174 A C -3.211 173.880 177.584 -0.821 0.000 1.052 174 A CA -1.526 50.174 52.037 -0.561 0.000 0.714 174 A CB 1.466 20.331 19.000 -0.225 0.000 1.279 174 A HN 0.474 nan 8.150 nan 0.000 0.397 175 P HA 0.309 nan 4.420 nan 0.000 0.278 175 P C -0.598 176.672 177.300 -0.051 0.000 1.258 175 P CA -0.139 62.883 63.100 -0.131 0.000 0.811 175 P CB 0.848 32.596 31.700 0.082 0.000 1.063 176 E N 1.016 121.237 120.200 0.035 0.000 2.344 176 E HA 0.110 4.460 4.350 -0.000 0.000 0.270 176 E C 0.105 176.692 176.600 -0.021 0.000 1.021 176 E CA -0.129 56.257 56.400 -0.024 0.000 0.887 176 E CB 0.400 30.099 29.700 -0.002 0.000 0.997 176 E HN 0.226 nan 8.360 nan 0.000 0.429 177 R N 4.004 124.479 120.500 -0.042 0.000 2.242 177 R HA 0.160 4.500 4.340 -0.000 0.000 0.334 177 R C -2.127 174.161 176.300 -0.020 0.000 1.071 177 R CA -1.678 54.407 56.100 -0.024 0.000 0.922 177 R CB -0.035 30.249 30.300 -0.027 0.000 1.023 177 R HN 0.252 nan 8.270 nan 0.000 0.458 178 P HA 0.138 nan 4.420 nan 0.000 0.267 178 P C -0.187 177.109 177.300 -0.007 0.000 1.328 178 P CA 0.059 63.155 63.100 -0.006 0.000 0.990 178 P CB 1.071 32.772 31.700 0.002 0.000 1.168 179 G N 3.211 112.004 108.800 -0.012 0.000 2.510 179 G HA2 0.443 4.403 3.960 -0.000 0.000 0.277 179 G HA3 0.443 4.403 3.960 -0.000 0.000 0.277 179 G C -2.829 172.065 174.900 -0.010 0.000 1.223 179 G CA -0.703 44.392 45.100 -0.009 0.000 0.887 179 G HN 0.206 nan 8.290 nan 0.000 0.485 180 P HA 0.278 nan 4.420 nan 0.000 0.267 180 P C -0.359 176.936 177.300 -0.007 0.000 1.200 180 P CA -0.167 62.930 63.100 -0.006 0.000 0.772 180 P CB 0.399 32.098 31.700 -0.002 0.000 0.855 181 Q N 2.036 121.833 119.800 -0.005 0.000 2.454 181 Q HA 0.188 4.528 4.340 -0.000 0.000 0.247 181 Q C -1.929 174.074 176.000 0.006 0.000 1.028 181 Q CA -1.213 54.588 55.803 -0.003 0.000 0.910 181 Q CB -0.734 28.004 28.738 0.001 0.000 1.276 181 Q HN 0.359 nan 8.270 nan 0.000 0.489 182 P HA -0.012 nan 4.420 nan 0.000 0.269 182 P C -0.338 176.983 177.300 0.034 0.000 1.215 182 P CA 0.048 63.166 63.100 0.030 0.000 0.780 182 P CB 0.362 32.093 31.700 0.053 0.000 0.898 183 T N 1.156 115.731 114.554 0.035 0.000 2.919 183 T HA 0.433 4.783 4.350 -0.000 0.000 0.302 183 T C 0.141 174.868 174.700 0.046 0.000 1.031 183 T CA -0.528 61.593 62.100 0.035 0.000 1.127 183 T CB -0.124 68.762 68.868 0.030 0.000 0.952 183 T HN 0.420 nan 8.240 nan 0.000 0.540 184 A N 4.373 127.220 122.820 0.045 0.000 2.351 184 A HA 0.540 4.860 4.320 -0.000 0.000 0.257 184 A C 0.238 177.856 177.584 0.057 0.000 1.087 184 A CA -0.549 51.522 52.037 0.057 0.000 0.798 184 A CB 0.282 19.318 19.000 0.060 0.000 1.033 184 A HN 0.865 nan 8.150 nan 0.000 0.488 185 E N 0.498 120.735 120.200 0.061 0.000 2.195 185 E HA 0.582 4.932 4.350 -0.000 0.000 0.271 185 E C -0.324 176.300 176.600 0.039 0.000 0.923 185 E CA -0.259 56.168 56.400 0.045 0.000 0.790 185 E CB 1.910 31.636 29.700 0.045 0.000 1.155 185 E HN 0.789 nan 8.360 nan 0.000 0.402 186 T N -1.506 113.050 114.554 0.003 0.000 2.896 186 T HA 0.678 5.028 4.350 -0.000 0.000 0.297 186 T C -0.441 174.178 174.700 -0.135 0.000 1.108 186 T CA -0.781 61.279 62.100 -0.066 0.000 1.004 186 T CB 2.183 71.013 68.868 -0.063 0.000 1.159 186 T HN 0.279 nan 8.240 nan 0.000 0.499 187 T N 0.480 114.885 114.554 -0.248 0.000 2.982 187 T HA 0.597 4.947 4.350 -0.000 0.000 0.321 187 T C -1.637 172.869 174.700 -0.322 0.000 1.229 187 T CA -0.779 61.197 62.100 -0.207 0.000 1.044 187 T CB 1.282 70.084 68.868 -0.109 0.000 1.184 187 T HN 0.775 nan 8.240 nan 0.000 0.477 188 R N 3.207 123.561 120.500 -0.242 0.000 2.439 188 R HA 0.578 4.918 4.340 -0.000 0.000 0.310 188 R C -0.657 175.521 176.300 -0.203 0.000 0.955 188 R CA -0.776 55.173 56.100 -0.253 0.000 0.853 188 R CB 1.975 32.154 30.300 -0.201 0.000 1.171 188 R HN 0.560 nan 8.270 nan 0.000 0.449 189 Q N 2.392 122.049 119.800 -0.239 0.000 2.372 189 Q HA 0.397 4.737 4.340 -0.000 0.000 0.273 189 Q C -1.298 174.554 176.000 -0.246 0.000 1.078 189 Q CA -0.772 54.942 55.803 -0.148 0.000 0.806 189 Q CB 2.489 31.195 28.738 -0.053 0.000 1.332 189 Q HN 0.386 nan 8.270 nan 0.000 0.435 190 F N 2.115 122.066 119.950 0.002 0.000 2.410 190 F HA 0.368 4.895 4.527 -0.000 0.000 0.349 190 F C 0.023 175.824 175.800 0.001 0.000 1.117 190 F CA -0.561 57.442 58.000 0.005 0.000 1.104 190 F CB 0.808 39.812 39.000 0.006 0.000 1.122 190 F HN 0.258 nan 8.300 nan 0.000 0.483 191 L N 5.475 126.790 121.223 0.153 0.000 2.506 191 L HA 0.313 4.653 4.340 -0.000 0.000 0.247 191 L C -0.208 176.714 176.870 0.086 0.000 1.141 191 L CA -0.809 54.084 54.840 0.088 0.000 0.973 191 L CB 0.396 42.478 42.059 0.038 0.000 1.319 191 L HN 0.674 nan 8.230 nan 0.000 0.455 192 M N 1.468 121.123 119.600 0.093 0.000 2.350 192 M HA -0.232 4.248 4.480 -0.000 0.000 0.190 192 M C -0.185 176.161 176.300 0.076 0.000 0.710 192 M CA 0.638 55.975 55.300 0.063 0.000 0.495 192 M CB -1.193 31.430 32.600 0.038 0.000 1.136 192 M HN 0.733 nan 8.290 nan 0.000 0.901 193 S N -2.227 113.549 115.700 0.127 0.000 2.570 193 S HA 0.725 5.195 4.470 -0.000 0.000 0.270 193 S C 0.288 175.016 174.600 0.213 0.000 1.149 193 S CA -0.534 57.752 58.200 0.144 0.000 0.837 193 S CB 1.560 64.843 63.200 0.139 0.000 1.124 193 S HN 0.261 nan 8.310 nan 0.000 0.465 194 D N 0.929 121.424 120.400 0.159 0.000 2.183 194 D HA 0.138 4.778 4.640 -0.000 0.000 0.203 194 D C 0.176 176.659 176.300 0.305 0.000 0.969 194 D CA 1.283 55.376 54.000 0.155 0.000 0.842 194 D CB 0.086 40.941 40.800 0.091 0.000 0.957 194 D HN 0.502 nan 8.370 nan 0.000 0.484 195 K N 0.238 120.801 120.400 0.272 0.000 2.267 195 K HA 0.427 4.746 4.320 -0.000 0.000 0.246 195 K C -2.616 173.987 176.600 0.006 0.000 0.954 195 K CA -1.999 54.413 56.287 0.208 0.000 0.824 195 K CB 2.439 34.993 32.500 0.091 0.000 1.167 195 K HN -0.100 nan 8.250 nan 0.000 0.431 196 P HA 0.218 nan 4.420 nan 0.000 0.281 196 P C -1.093 176.062 177.300 -0.242 0.000 1.264 196 P CA -0.679 62.046 63.100 -0.625 0.000 0.824 196 P CB 0.941 31.988 31.700 -1.089 0.000 1.092 197 L N 2.099 123.200 121.223 -0.203 0.000 2.264 197 L HA 0.363 4.703 4.340 -0.000 0.000 0.289 197 L C -0.055 176.779 176.870 -0.060 0.000 1.044 197 L CA -0.629 54.161 54.840 -0.083 0.000 0.807 197 L CB 0.234 42.251 42.059 -0.070 0.000 1.192 197 L HN 0.475 nan 8.230 nan 0.000 0.425 198 H N 6.171 125.186 119.070 -0.091 0.000 2.504 198 H HA 0.358 4.914 4.556 -0.000 0.000 0.322 198 H C -1.533 173.787 175.328 -0.013 0.000 1.055 198 H CA -0.612 55.403 56.048 -0.054 0.000 1.231 198 H CB 1.857 31.602 29.762 -0.029 0.000 1.417 198 H HN 0.572 nan 8.280 nan 0.000 0.472 199 L N 5.017 126.224 121.223 -0.027 0.000 2.313 199 L HA 0.436 4.776 4.340 -0.000 0.000 0.283 199 L C -0.719 176.207 176.870 0.092 0.000 1.013 199 L CA -0.339 54.543 54.840 0.070 0.000 0.816 199 L CB 1.504 43.561 42.059 -0.003 0.000 1.236 199 L HN 0.783 nan 8.230 nan 0.000 0.419 200 E N 4.151 124.489 120.200 0.230 0.000 2.292 200 E HA 0.837 5.187 4.350 -0.000 0.000 0.272 200 E C -1.910 174.805 176.600 0.191 0.000 0.881 200 E CA -0.758 55.775 56.400 0.222 0.000 0.754 200 E CB 1.902 31.808 29.700 0.343 0.000 1.201 200 E HN 0.934 nan 8.360 nan 0.000 0.425 201 A N 2.372 125.273 122.820 0.135 0.000 2.539 201 A HA 0.804 5.124 4.320 -0.000 0.000 0.296 201 A C -1.194 176.451 177.584 0.100 0.000 1.073 201 A CA -0.338 51.775 52.037 0.127 0.000 0.700 201 A CB 1.910 20.978 19.000 0.113 0.000 1.296 201 A HN 0.702 nan 8.150 nan 0.000 0.405 202 S N 0.340 116.096 115.700 0.094 0.000 2.570 202 S HA 0.763 5.233 4.470 -0.000 0.000 0.270 202 S C -1.081 173.566 174.600 0.079 0.000 1.149 202 S CA -0.742 57.506 58.200 0.080 0.000 0.837 202 S CB 0.744 63.982 63.200 0.063 0.000 1.124 202 S HN 0.786 nan 8.310 nan 0.000 0.465 203 L N 1.834 123.110 121.223 0.087 0.000 2.375 203 L HA 0.453 4.793 4.340 -0.000 0.000 0.268 203 L C 1.111 178.041 176.870 0.100 0.000 1.058 203 L CA -0.895 54.007 54.840 0.102 0.000 0.803 203 L CB 0.962 43.113 42.059 0.154 0.000 1.212 203 L HN 0.974 nan 8.230 nan 0.000 0.451 204 D N 0.102 120.576 120.400 0.123 0.000 2.277 204 D HA -0.052 4.588 4.640 -0.000 0.000 0.208 204 D C 0.121 176.424 176.300 0.005 0.000 0.962 204 D CA 0.940 54.981 54.000 0.069 0.000 0.865 204 D CB 0.409 41.249 40.800 0.068 0.000 0.939 204 D HN 0.446 nan 8.370 nan 0.000 0.510 205 K N -0.999 119.384 120.400 -0.028 0.000 2.522 205 K HA 0.260 4.579 4.320 -0.000 0.000 0.275 205 K C 0.341 176.823 176.600 -0.197 0.000 1.006 205 K CA -0.703 55.429 56.287 -0.258 0.000 0.890 205 K CB 2.278 34.377 32.500 -0.669 0.000 1.475 205 K HN -0.202 nan 8.250 nan 0.000 0.441 206 E N 0.594 120.677 120.200 -0.195 0.000 2.166 206 E HA 0.114 4.463 4.350 -0.000 0.000 0.192 206 E C -0.228 176.306 176.600 -0.109 0.000 0.967 206 E CA 0.491 56.853 56.400 -0.064 0.000 0.840 206 E CB 0.446 30.118 29.700 -0.047 0.000 0.795 206 E HN 0.379 nan 8.360 nan 0.000 0.470 207 I N 1.609 121.971 120.570 -0.347 0.000 2.378 207 I HA 0.268 4.438 4.170 -0.000 0.000 0.291 207 I C -1.177 174.475 176.117 -0.774 0.000 0.992 207 I CA -0.761 60.289 61.300 -0.418 0.000 1.154 207 I CB 1.111 38.857 38.000 -0.423 0.000 1.315 207 I HN -0.002 nan 8.210 nan 0.000 0.448 208 Y N 4.787 124.863 120.300 -0.373 0.000 2.524 208 Y HA 0.529 5.079 4.550 -0.000 0.000 0.344 208 Y C -0.582 174.959 175.900 -0.598 0.000 1.012 208 Y CA -0.714 57.122 58.100 -0.440 0.000 1.068 208 Y CB 1.594 39.888 38.460 -0.277 0.000 1.249 208 Y HN 0.322 nan 8.280 nan 0.000 0.468 209 Y N -0.595 119.736 120.300 0.052 0.000 2.496 209 Y HA 0.350 4.900 4.550 -0.000 0.000 0.331 209 Y C 0.050 175.914 175.900 -0.060 0.000 1.140 209 Y CA -1.127 56.933 58.100 -0.066 0.000 1.166 209 Y CB 0.708 39.148 38.460 -0.032 0.000 1.249 209 Y HN 0.547 nan 8.280 nan 0.000 0.479 210 H N 0.466 119.622 119.070 0.143 0.000 3.094 210 H HA 0.165 4.721 4.556 -0.000 0.000 0.320 210 H C 1.063 176.413 175.328 0.038 0.000 1.000 210 H CA 1.316 57.395 56.048 0.051 0.000 1.413 210 H CB 0.166 29.948 29.762 0.034 0.000 1.405 210 H HN 0.964 nan 8.280 nan 0.000 0.586 211 G N 2.484 111.340 108.800 0.092 0.000 2.225 211 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.254 211 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.254 211 G C 0.313 175.167 174.900 -0.078 0.000 0.988 211 G CA 0.237 45.338 45.100 0.002 0.000 0.625 211 G HN 0.682 nan 8.290 nan 0.000 0.527 212 E N 1.822 122.008 120.200 -0.022 0.000 2.313 212 E HA 0.478 4.828 4.350 -0.000 0.000 0.276 212 E C -2.208 174.328 176.600 -0.107 0.000 1.031 212 E CA -1.948 54.456 56.400 0.007 0.000 0.857 212 E CB 1.024 30.812 29.700 0.148 0.000 1.040 212 E HN 0.186 nan 8.360 nan 0.000 0.408 213 P HA 0.115 nan 4.420 nan 0.000 0.271 213 P C -0.856 176.331 177.300 -0.187 0.000 1.218 213 P CA 0.234 63.241 63.100 -0.155 0.000 0.780 213 P CB 0.536 32.193 31.700 -0.073 0.000 0.901 214 I N 1.343 121.699 120.570 -0.356 0.000 2.389 214 I HA 0.218 4.388 4.170 -0.000 0.000 0.288 214 I C -0.052 175.920 176.117 -0.241 0.000 0.999 214 I CA -0.329 60.642 61.300 -0.549 0.000 1.129 214 I CB 1.580 38.977 38.000 -1.005 0.000 1.288 214 I HN 0.154 nan 8.210 nan 0.000 0.444 215 S N 5.303 120.948 115.700 -0.092 0.000 2.442 215 S HA 0.511 4.981 4.470 -0.000 0.000 0.297 215 S C -0.251 174.351 174.600 0.004 0.000 1.131 215 S CA -0.607 57.581 58.200 -0.021 0.000 1.092 215 S CB 1.565 64.772 63.200 0.012 0.000 0.998 215 S HN 0.304 nan 8.310 nan 0.000 0.478 216 V N 3.991 123.930 119.914 0.040 0.000 2.357 216 V HA 0.355 4.475 4.120 -0.000 0.000 0.284 216 V C 0.012 176.183 176.094 0.128 0.000 1.018 216 V CA -0.991 61.356 62.300 0.079 0.000 0.841 216 V CB 1.182 33.061 31.823 0.094 0.000 0.991 216 V HN 0.819 nan 8.190 nan 0.000 0.437 217 N N 3.920 122.683 118.700 0.104 0.000 2.408 217 N HA 0.413 5.153 4.740 -0.000 0.000 0.257 217 N C -0.869 174.741 175.510 0.166 0.000 1.064 217 N CA -0.143 52.970 53.050 0.106 0.000 0.952 217 N CB 1.244 39.770 38.487 0.065 0.000 1.093 217 N HN 0.472 nan 8.380 nan 0.000 0.490 218 V N 3.380 123.434 119.914 0.233 0.000 2.398 218 V HA 0.286 4.406 4.120 -0.000 0.000 0.286 218 V C -0.648 175.640 176.094 0.323 0.000 1.026 218 V CA -0.658 61.821 62.300 0.297 0.000 0.868 218 V CB 0.988 33.066 31.823 0.426 0.000 0.982 218 V HN 0.731 nan 8.190 nan 0.000 0.443 219 H N 3.251 122.439 119.070 0.197 0.000 2.823 219 H HA 0.714 5.270 4.556 -0.000 0.000 0.332 219 H C -1.320 174.134 175.328 0.209 0.000 0.980 219 H CA -0.368 55.788 56.048 0.180 0.000 1.286 219 H CB 1.756 31.581 29.762 0.105 0.000 1.541 219 H HN 0.424 nan 8.280 nan 0.000 0.521 220 V N 5.089 124.909 119.914 -0.156 0.000 2.487 220 V HA 0.334 4.453 4.120 -0.000 0.000 0.298 220 V C -0.173 175.819 176.094 -0.170 0.000 1.028 220 V CA -0.738 61.529 62.300 -0.056 0.000 0.860 220 V CB 1.810 33.645 31.823 0.019 0.000 0.991 220 V HN 0.902 nan 8.190 nan 0.000 0.427 221 T N 3.759 118.281 114.554 -0.053 0.000 2.947 221 T HA 0.228 4.578 4.350 -0.000 0.000 0.337 221 T C 0.061 174.759 174.700 -0.002 0.000 1.139 221 T CA -0.265 61.809 62.100 -0.042 0.000 0.992 221 T CB 0.027 68.879 68.868 -0.027 0.000 1.043 221 T HN 0.579 nan 8.240 nan 0.000 0.498 222 N N 3.339 122.030 118.700 -0.015 0.000 2.602 222 N HA 0.115 4.855 4.740 -0.000 0.000 0.238 222 N C 0.419 175.924 175.510 -0.009 0.000 1.084 222 N CA -0.492 52.549 53.050 -0.015 0.000 0.952 222 N CB 0.125 38.598 38.487 -0.024 0.000 1.244 222 N HN 0.346 nan 8.380 nan 0.000 0.512 223 N N 1.324 120.018 118.700 -0.010 0.000 2.322 223 N HA -0.006 4.734 4.740 -0.000 0.000 0.216 223 N C 0.187 175.701 175.510 0.007 0.000 1.144 223 N CA 0.125 53.174 53.050 -0.001 0.000 0.830 223 N CB 0.396 38.883 38.487 -0.001 0.000 1.034 223 N HN 0.620 nan 8.380 nan 0.000 0.484 224 T N -1.410 113.145 114.554 0.002 0.000 2.870 224 T HA 0.230 4.580 4.350 -0.000 0.000 0.277 224 T C 0.917 175.624 174.700 0.013 0.000 1.000 224 T CA -0.728 61.381 62.100 0.016 0.000 0.982 224 T CB 1.271 70.146 68.868 0.012 0.000 1.249 224 T HN 0.052 nan 8.240 nan 0.000 0.589 225 N N -0.400 118.310 118.700 0.017 0.000 2.235 225 N HA 0.118 4.858 4.740 -0.000 0.000 0.209 225 N C -0.203 175.311 175.510 0.006 0.000 1.122 225 N CA -0.438 52.620 53.050 0.012 0.000 0.845 225 N CB 0.043 38.540 38.487 0.016 0.000 1.004 225 N HN 0.349 nan 8.380 nan 0.000 0.499 226 K N 0.338 120.740 120.400 0.003 0.000 2.109 226 K HA 0.389 4.709 4.320 -0.000 0.000 0.243 226 K C -0.234 176.357 176.600 -0.016 0.000 1.006 226 K CA -0.242 56.043 56.287 -0.004 0.000 0.917 226 K CB 0.660 33.158 32.500 -0.004 0.000 1.081 226 K HN -0.069 nan 8.250 nan 0.000 0.468 227 T N 0.478 115.019 114.554 -0.022 0.000 2.807 227 T HA 0.268 4.618 4.350 -0.000 0.000 0.279 227 T C -0.323 174.346 174.700 -0.052 0.000 0.993 227 T CA -0.672 61.407 62.100 -0.035 0.000 0.970 227 T CB 1.563 70.415 68.868 -0.027 0.000 0.950 227 T HN 0.122 nan 8.240 nan 0.000 0.441 228 V N 4.247 124.113 119.914 -0.080 0.000 2.455 228 V HA 0.226 4.346 4.120 -0.000 0.000 0.273 228 V C 1.450 177.482 176.094 -0.103 0.000 1.045 228 V CA -0.023 62.215 62.300 -0.105 0.000 0.976 228 V CB 1.152 32.877 31.823 -0.163 0.000 0.993 228 V HN 0.859 nan 8.190 nan 0.000 0.475 229 K N 4.730 125.083 120.400 -0.079 0.000 2.323 229 K HA 0.141 4.461 4.320 -0.000 0.000 0.197 229 K C 0.467 177.026 176.600 -0.068 0.000 1.043 229 K CA 0.452 56.702 56.287 -0.062 0.000 0.997 229 K CB 0.346 32.822 32.500 -0.040 0.000 0.807 229 K HN 0.797 nan 8.250 nan 0.000 0.497 230 K N -0.294 120.054 120.400 -0.086 0.000 2.625 230 K HA 0.330 4.650 4.320 -0.000 0.000 0.284 230 K C -1.385 175.146 176.600 -0.115 0.000 0.984 230 K CA -0.878 55.358 56.287 -0.086 0.000 0.865 230 K CB 1.090 33.557 32.500 -0.055 0.000 1.468 230 K HN -0.096 nan 8.250 nan 0.000 0.407 231 I N 1.499 121.990 120.570 -0.131 0.000 2.466 231 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 231 I C -0.975 175.020 176.117 -0.203 0.000 1.026 231 I CA -0.959 60.232 61.300 -0.183 0.000 1.078 231 I CB 2.153 40.008 38.000 -0.241 0.000 1.249 231 I HN 0.480 nan 8.210 nan 0.000 0.429 232 K N 6.731 127.032 120.400 -0.165 0.000 2.307 232 K HA 0.624 4.944 4.320 -0.000 0.000 0.263 232 K C -1.043 175.465 176.600 -0.153 0.000 0.973 232 K CA -0.676 55.528 56.287 -0.138 0.000 0.846 232 K CB 2.188 34.641 32.500 -0.078 0.000 1.100 232 K HN 0.392 nan 8.250 nan 0.000 0.438 233 I N 2.743 123.211 120.570 -0.170 0.000 2.406 233 I HA 0.252 4.422 4.170 -0.000 0.000 0.290 233 I C 0.148 176.228 176.117 -0.061 0.000 0.999 233 I CA -0.440 60.778 61.300 -0.136 0.000 1.124 233 I CB 1.226 39.108 38.000 -0.196 0.000 1.289 233 I HN 0.666 nan 8.210 nan 0.000 0.441 234 S N 5.256 120.944 115.700 -0.021 0.000 2.627 234 S HA 0.805 5.275 4.470 -0.000 0.000 0.283 234 S C -0.954 173.675 174.600 0.048 0.000 1.127 234 S CA -0.739 57.466 58.200 0.009 0.000 0.863 234 S CB 2.522 65.729 63.200 0.012 0.000 1.121 234 S HN 0.211 nan 8.310 nan 0.000 0.479 235 V N 1.491 121.447 119.914 0.070 0.000 2.448 235 V HA 0.583 4.703 4.120 -0.000 0.000 0.295 235 V C -0.369 175.810 176.094 0.142 0.000 1.025 235 V CA -0.607 61.787 62.300 0.156 0.000 0.859 235 V CB 1.480 33.402 31.823 0.164 0.000 0.988 235 V HN 0.875 nan 8.190 nan 0.000 0.431 236 R N 3.145 123.729 120.500 0.141 0.000 2.562 236 R HA 0.520 4.860 4.340 -0.000 0.000 0.298 236 R C -0.638 175.561 176.300 -0.168 0.000 0.961 236 R CA -0.592 55.467 56.100 -0.069 0.000 0.881 236 R CB 2.213 32.384 30.300 -0.215 0.000 1.159 236 R HN 0.709 nan 8.270 nan 0.000 0.450 237 Q N 2.781 122.406 119.800 -0.292 0.000 2.257 237 Q HA 0.258 4.598 4.340 -0.000 0.000 0.255 237 Q C -1.409 174.217 176.000 -0.622 0.000 0.920 237 Q CA -0.505 54.990 55.803 -0.514 0.000 0.927 237 Q CB 0.924 29.466 28.738 -0.327 0.000 1.229 237 Q HN 0.545 nan 8.270 nan 0.000 0.433 238 Y N 0.958 121.088 120.300 -0.283 0.000 2.352 238 Y HA 0.633 5.183 4.550 -0.000 0.000 0.339 238 Y C -0.186 175.645 175.900 -0.115 0.000 0.992 238 Y CA -0.791 57.232 58.100 -0.129 0.000 1.100 238 Y CB 2.232 40.631 38.460 -0.102 0.000 1.192 238 Y HN 0.652 nan 8.280 nan 0.000 0.458 239 A N 2.876 125.770 122.820 0.123 0.000 2.375 239 A HA 0.597 4.917 4.320 -0.000 0.000 0.291 239 A C -1.582 176.129 177.584 0.212 0.000 1.160 239 A CA -0.814 51.301 52.037 0.130 0.000 0.747 239 A CB 0.502 19.563 19.000 0.102 0.000 1.170 239 A HN 0.637 nan 8.150 nan 0.000 0.458 240 D N 2.319 122.811 120.400 0.154 0.000 2.233 240 D HA 0.441 5.081 4.640 -0.000 0.000 0.240 240 D C -0.004 176.392 176.300 0.159 0.000 1.074 240 D CA -0.060 54.020 54.000 0.133 0.000 0.838 240 D CB 1.352 42.193 40.800 0.068 0.000 1.124 240 D HN 0.317 nan 8.370 nan 0.000 0.475 241 I N 1.904 122.588 120.570 0.190 0.000 2.325 241 I HA 0.121 4.291 4.170 -0.000 0.000 0.291 241 I C 0.898 177.072 176.117 0.095 0.000 1.019 241 I CA -0.427 61.010 61.300 0.229 0.000 1.302 241 I CB 0.829 39.046 38.000 0.363 0.000 1.401 241 I HN 0.475 nan 8.210 nan 0.000 0.485 242 C N 5.982 125.292 119.300 0.017 0.000 3.183 242 C HA 0.423 4.883 4.460 -0.000 0.000 0.285 242 C C 0.731 175.623 174.990 -0.163 0.000 1.313 242 C CA -0.233 58.743 59.018 -0.070 0.000 1.711 242 C CB -0.696 27.004 27.740 -0.067 0.000 2.135 242 C HN 0.544 nan 8.230 nan 0.000 0.651 243 L N -0.555 120.514 121.223 -0.258 0.000 2.388 243 L HA 0.537 4.877 4.340 -0.000 0.000 0.264 243 L C 0.547 177.352 176.870 -0.108 0.000 0.998 243 L CA -0.526 54.128 54.840 -0.310 0.000 0.817 243 L CB 1.677 43.302 42.059 -0.723 0.000 1.338 243 L HN 0.119 nan 8.230 nan 0.000 0.414 244 F N 1.308 121.012 119.950 -0.409 0.000 2.578 244 F HA -0.386 4.140 4.527 -0.001 0.000 0.656 244 F C 0.433 175.908 175.800 -0.541 0.000 0.490 244 F CA 2.104 59.732 58.000 -0.619 0.000 0.743 244 F CB -0.372 38.144 39.000 -0.808 0.000 1.626 244 F HN 0.673 nan 8.300 nan 0.000 0.260 245 N N 0.359 118.787 118.700 -0.454 0.000 2.685 245 N HA 0.215 4.955 4.740 -0.000 0.000 0.252 245 N C -1.081 174.347 175.510 -0.136 0.000 1.261 245 N CA 0.323 53.122 53.050 -0.419 0.000 0.768 245 N CB 0.924 39.092 38.487 -0.531 0.000 1.304 245 N HN 0.104 nan 8.380 nan 0.000 0.536 246 T N 1.894 116.364 114.554 -0.139 0.000 2.866 246 T HA 0.308 4.657 4.350 -0.000 0.000 0.293 246 T C 0.116 174.787 174.700 -0.048 0.000 1.005 246 T CA 0.358 62.416 62.100 -0.071 0.000 1.162 246 T CB 0.684 69.497 68.868 -0.092 0.000 0.968 246 T HN 0.588 nan 8.240 nan 0.000 0.530 247 A N 3.470 126.280 122.820 -0.017 0.000 2.601 247 A HA 0.678 4.998 4.320 -0.000 0.000 0.291 247 A C -1.665 175.865 177.584 -0.090 0.000 1.075 247 A CA -1.087 50.898 52.037 -0.086 0.000 0.671 247 A CB 1.518 20.452 19.000 -0.110 0.000 1.277 247 A HN 0.580 nan 8.150 nan 0.000 0.417 248 Q N 0.055 119.734 119.800 -0.202 0.000 2.304 248 Q HA 0.655 4.995 4.340 -0.000 0.000 0.270 248 Q C -1.848 174.010 176.000 -0.237 0.000 1.035 248 Q CA -0.079 55.661 55.803 -0.105 0.000 0.781 248 Q CB 1.970 30.689 28.738 -0.033 0.000 1.261 248 Q HN 0.620 nan 8.270 nan 0.000 0.444 249 Y N 0.826 121.159 120.300 0.054 0.000 2.487 249 Y HA 0.635 5.185 4.550 -0.000 0.000 0.337 249 Y C -0.184 175.715 175.900 -0.003 0.000 1.076 249 Y CA -0.822 57.293 58.100 0.025 0.000 1.115 249 Y CB 1.883 40.351 38.460 0.013 0.000 1.235 249 Y HN 0.372 nan 8.280 nan 0.000 0.468 250 K N 0.958 121.429 120.400 0.118 0.000 2.525 250 K HA 0.794 5.114 4.320 -0.000 0.000 0.254 250 K C -1.922 174.631 176.600 -0.079 0.000 0.934 250 K CA -0.691 55.540 56.287 -0.092 0.000 0.802 250 K CB 1.986 34.424 32.500 -0.103 0.000 1.295 250 K HN 0.676 nan 8.250 nan 0.000 0.433 251 C N 2.594 121.795 119.300 -0.165 0.000 2.811 251 C HA 0.494 4.954 4.460 -0.000 0.000 0.352 251 C C -2.930 172.005 174.990 -0.090 0.000 1.098 251 C CA -1.255 57.712 59.018 -0.086 0.000 1.295 251 C CB 1.560 29.275 27.740 -0.042 0.000 1.758 251 C HN 0.733 nan 8.230 nan 0.000 0.488 252 P HA 0.213 nan 4.420 nan 0.000 0.276 252 P C 0.291 177.609 177.300 0.031 0.000 1.230 252 P CA -0.009 63.085 63.100 -0.010 0.000 0.776 252 P CB 0.761 32.461 31.700 -0.001 0.000 0.888 253 V N -0.009 119.949 119.914 0.073 0.000 3.380 253 V HA 0.767 4.887 4.120 -0.000 0.000 0.307 253 V C 0.229 176.388 176.094 0.107 0.000 1.434 253 V CA -0.053 62.312 62.300 0.108 0.000 1.075 253 V CB -0.499 31.428 31.823 0.174 0.000 0.954 253 V HN 0.554 nan 8.190 nan 0.000 0.444 254 A N 0.836 123.703 122.820 0.078 0.000 2.594 254 A HA 0.887 5.206 4.320 -0.000 0.000 0.296 254 A C -1.352 176.255 177.584 0.038 0.000 1.056 254 A CA -0.250 51.826 52.037 0.064 0.000 0.693 254 A CB 2.094 21.112 19.000 0.030 0.000 1.278 254 A HN 0.717 nan 8.150 nan 0.000 0.408 255 M N 1.177 120.796 119.600 0.031 0.000 2.413 255 M HA 0.679 5.159 4.480 -0.000 0.000 0.287 255 M C -1.544 174.761 176.300 0.008 0.000 1.186 255 M CA -0.102 55.205 55.300 0.012 0.000 0.927 255 M CB 1.885 34.492 32.600 0.011 0.000 1.715 255 M HN 0.840 nan 8.290 nan 0.000 0.478 256 E N 2.493 122.684 120.200 -0.015 0.000 2.274 256 E HA 0.427 4.777 4.350 -0.000 0.000 0.269 256 E C -1.589 174.980 176.600 -0.052 0.000 0.891 256 E CA -0.265 56.127 56.400 -0.012 0.000 0.784 256 E CB 1.427 31.132 29.700 0.008 0.000 1.225 256 E HN 0.774 nan 8.360 nan 0.000 0.412 257 E N 2.517 122.700 120.200 -0.028 0.000 2.133 257 E HA 0.530 4.880 4.350 -0.000 0.000 0.274 257 E C -1.177 175.412 176.600 -0.018 0.000 0.930 257 E CA -0.730 55.644 56.400 -0.044 0.000 0.770 257 E CB 1.779 31.464 29.700 -0.024 0.000 1.104 257 E HN 0.465 nan 8.360 nan 0.000 0.403 258 A N 3.614 126.409 122.820 -0.042 0.000 2.303 258 A HA 0.225 4.544 4.320 -0.000 0.000 0.320 258 A C -0.178 177.425 177.584 0.032 0.000 1.192 258 A CA -0.743 51.326 52.037 0.052 0.000 0.821 258 A CB 0.614 19.727 19.000 0.189 0.000 1.188 258 A HN 0.599 nan 8.150 nan 0.000 0.492 259 D N 2.471 122.899 120.400 0.047 0.000 3.032 259 D HA 0.064 4.704 4.640 -0.000 0.000 0.241 259 D C -0.685 175.638 176.300 0.038 0.000 1.196 259 D CA 0.517 54.531 54.000 0.023 0.000 0.927 259 D CB 0.265 41.078 40.800 0.022 0.000 1.129 259 D HN 0.412 nan 8.370 nan 0.000 0.458 260 D N 0.407 120.834 120.400 0.045 0.000 2.177 260 D HA 0.208 4.848 4.640 -0.000 0.000 0.247 260 D C 0.447 176.685 176.300 -0.105 0.000 1.063 260 D CA 0.016 54.049 54.000 0.054 0.000 0.867 260 D CB 1.708 42.635 40.800 0.212 0.000 1.168 260 D HN -0.118 nan 8.370 nan 0.000 0.445 261 T N 0.649 115.151 114.554 -0.087 0.000 2.929 261 T HA 0.481 4.831 4.350 -0.000 0.000 0.284 261 T C -0.117 174.447 174.700 -0.227 0.000 1.014 261 T CA -0.615 61.403 62.100 -0.137 0.000 1.051 261 T CB 1.443 70.285 68.868 -0.044 0.000 1.028 261 T HN -0.015 nan 8.240 nan 0.000 0.485 262 V N 2.275 122.053 119.914 -0.227 0.000 2.349 262 V HA 0.627 4.747 4.120 -0.000 0.000 0.284 262 V C 0.448 176.499 176.094 -0.071 0.000 1.014 262 V CA -1.161 61.032 62.300 -0.179 0.000 0.826 262 V CB 0.921 32.592 31.823 -0.253 0.000 1.009 262 V HN 1.127 nan 8.190 nan 0.000 0.431 263 A N 7.284 130.095 122.820 -0.015 0.000 2.366 263 A HA 0.680 5.000 4.320 -0.000 0.000 0.249 263 A C -2.394 175.187 177.584 -0.005 0.000 1.084 263 A CA -1.138 50.896 52.037 -0.005 0.000 0.794 263 A CB -0.107 18.901 19.000 0.014 0.000 1.034 263 A HN 0.631 nan 8.150 nan 0.000 0.491 264 P HA 0.121 nan 4.420 nan 0.000 0.268 264 P C 0.027 177.331 177.300 0.006 0.000 1.208 264 P CA 0.683 63.783 63.100 -0.000 0.000 0.777 264 P CB 0.384 32.086 31.700 0.003 0.000 0.875 265 S N -0.494 115.210 115.700 0.006 0.000 3.550 265 S HA -0.089 4.381 4.470 -0.000 0.000 0.372 265 S C 0.241 174.848 174.600 0.013 0.000 0.966 265 S CA 1.131 59.337 58.200 0.010 0.000 1.229 265 S CB -2.052 61.156 63.200 0.013 0.000 0.917 265 S HN 0.807 nan 8.310 nan 0.000 0.496 266 S N -1.177 114.530 115.700 0.012 0.000 2.671 266 S HA 0.838 5.308 4.470 -0.000 0.000 0.277 266 S C -0.672 173.938 174.600 0.017 0.000 1.165 266 S CA -0.720 57.493 58.200 0.021 0.000 0.822 266 S CB 2.306 65.527 63.200 0.036 0.000 1.150 266 S HN 0.166 nan 8.310 nan 0.000 0.479 267 T N 1.745 116.314 114.554 0.024 0.000 2.863 267 T HA 0.685 5.035 4.350 -0.000 0.000 0.285 267 T C -1.532 173.201 174.700 0.056 0.000 1.009 267 T CA -0.351 61.742 62.100 -0.011 0.000 0.989 267 T CB 0.865 69.723 68.868 -0.016 0.000 1.004 267 T HN 0.609 nan 8.240 nan 0.000 0.455 268 F N 2.158 122.000 119.950 -0.180 0.000 2.565 268 F HA 0.696 5.223 4.527 -0.000 0.000 0.313 268 F C -1.060 174.664 175.800 -0.126 0.000 1.091 268 F CA -0.785 57.152 58.000 -0.104 0.000 0.915 268 F CB 1.303 40.268 39.000 -0.058 0.000 1.208 268 F HN 0.738 nan 8.300 nan 0.000 0.453 269 C N 6.729 125.651 119.300 -0.630 0.000 2.782 269 C HA 0.815 5.275 4.460 -0.000 0.000 0.328 269 C C -1.479 173.122 174.990 -0.648 0.000 1.145 269 C CA -0.484 58.322 59.018 -0.354 0.000 1.358 269 C CB 0.996 28.751 27.740 0.024 0.000 1.841 269 C HN 1.093 nan 8.230 nan 0.000 0.477 270 K N 4.117 124.297 120.400 -0.366 0.000 2.587 270 K HA 0.686 5.006 4.320 -0.000 0.000 0.276 270 K C -1.980 174.492 176.600 -0.213 0.000 0.956 270 K CA -0.537 55.516 56.287 -0.390 0.000 0.857 270 K CB 1.927 34.095 32.500 -0.554 0.000 1.431 270 K HN 0.504 nan 8.250 nan 0.000 0.420 271 V N 3.965 123.713 119.914 -0.277 0.000 2.370 271 V HA 0.428 4.548 4.120 -0.000 0.000 0.279 271 V C -1.120 174.815 176.094 -0.266 0.000 1.029 271 V CA -0.452 61.758 62.300 -0.149 0.000 0.870 271 V CB 0.671 32.436 31.823 -0.096 0.000 0.984 271 V HN 0.589 nan 8.190 nan 0.000 0.451 272 Y N 1.908 122.220 120.300 0.020 0.000 2.487 272 Y HA 0.663 5.213 4.550 -0.000 0.000 0.337 272 Y C 0.646 176.535 175.900 -0.019 0.000 1.076 272 Y CA -0.687 57.421 58.100 0.013 0.000 1.115 272 Y CB 2.201 40.678 38.460 0.029 0.000 1.235 272 Y HN 0.483 nan 8.280 nan 0.000 0.468 273 T N 4.706 119.334 114.554 0.123 0.000 2.879 273 T HA 0.690 5.040 4.350 -0.000 0.000 0.290 273 T C -1.509 173.192 174.700 0.002 0.000 0.993 273 T CA -0.667 61.448 62.100 0.024 0.000 0.975 273 T CB 0.689 69.557 68.868 -0.001 0.000 0.981 273 T HN 0.378 nan 8.240 nan 0.000 0.439 274 L N 0.650 121.828 121.223 -0.075 0.000 2.415 274 L HA 0.907 5.247 4.340 -0.000 0.000 0.256 274 L C -0.410 176.336 176.870 -0.206 0.000 1.010 274 L CA -0.976 53.809 54.840 -0.093 0.000 0.826 274 L CB 0.844 42.867 42.059 -0.059 0.000 1.405 274 L HN 0.427 nan 8.230 nan 0.000 0.410 275 T N 1.779 116.193 114.554 -0.234 0.000 2.847 275 T HA 0.699 5.049 4.350 -0.000 0.000 0.291 275 T C -2.827 171.585 174.700 -0.481 0.000 0.998 275 T CA -0.780 61.032 62.100 -0.480 0.000 0.967 275 T CB 1.922 70.328 68.868 -0.771 0.000 0.954 275 T HN 0.576 nan 8.240 nan 0.000 0.441 276 P HA 0.598 nan 4.420 nan 0.000 0.290 276 P C -1.110 176.162 177.300 -0.046 0.000 1.276 276 P CA -0.620 62.420 63.100 -0.100 0.000 0.808 276 P CB 0.533 32.221 31.700 -0.020 0.000 0.966 277 F N 0.008 119.967 119.950 0.015 0.000 2.665 277 F HA 0.276 4.803 4.527 -0.000 0.000 0.308 277 F C 0.851 176.654 175.800 0.005 0.000 1.112 277 F CA -1.489 56.517 58.000 0.009 0.000 0.972 277 F CB 0.836 39.839 39.000 0.006 0.000 1.295 277 F HN 0.065 nan 8.300 nan 0.000 0.440 278 L N 3.652 124.987 121.223 0.188 0.000 2.021 278 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 278 L C 2.462 179.329 176.870 -0.005 0.000 1.074 278 L CA 2.630 57.509 54.840 0.066 0.000 0.760 278 L CB -0.972 41.103 42.059 0.027 0.000 0.889 278 L HN 0.917 nan 8.230 nan 0.000 0.433 279 A N -0.361 122.409 122.820 -0.083 0.000 2.023 279 A HA -0.296 4.024 4.320 -0.000 0.000 0.223 279 A C 1.561 179.060 177.584 -0.142 0.000 1.180 279 A CA 2.367 54.302 52.037 -0.170 0.000 0.659 279 A CB -1.097 17.694 19.000 -0.348 0.000 0.817 279 A HN 0.749 nan 8.150 nan 0.000 0.466 280 N N -0.515 118.120 118.700 -0.110 0.000 2.321 280 N HA 0.165 4.905 4.740 -0.000 0.000 0.242 280 N C -0.046 175.468 175.510 0.007 0.000 1.141 280 N CA -0.005 53.016 53.050 -0.048 0.000 0.864 280 N CB 0.497 38.976 38.487 -0.014 0.000 1.100 280 N HN 0.451 nan 8.380 nan 0.000 0.510 281 N N -0.052 118.651 118.700 0.005 0.000 2.193 281 N HA 0.094 4.834 4.740 -0.000 0.000 0.236 281 N C 0.686 176.195 175.510 -0.001 0.000 1.347 281 N CA -0.075 52.985 53.050 0.016 0.000 0.812 281 N CB 0.703 39.218 38.487 0.046 0.000 1.297 281 N HN 0.068 nan 8.380 nan 0.000 0.499 282 R N 1.386 121.877 120.500 -0.016 0.000 2.117 282 R HA -0.085 4.255 4.340 -0.000 0.000 0.243 282 R C 1.117 177.402 176.300 -0.024 0.000 1.143 282 R CA 1.199 57.284 56.100 -0.025 0.000 0.968 282 R CB -0.226 30.054 30.300 -0.033 0.000 0.863 282 R HN 0.468 nan 8.270 nan 0.000 0.444 283 E N 0.668 120.857 120.200 -0.019 0.000 2.435 283 E HA 0.003 4.353 4.350 -0.000 0.000 0.195 283 E C 0.064 176.655 176.600 -0.015 0.000 1.029 283 E CA 0.106 56.496 56.400 -0.017 0.000 0.865 283 E CB 0.201 29.893 29.700 -0.013 0.000 0.833 283 E HN 0.094 nan 8.360 nan 0.000 0.510 284 K N 1.878 122.271 120.400 -0.012 0.000 2.436 284 K HA 0.127 4.447 4.320 -0.000 0.000 0.275 284 K C 0.335 176.920 176.600 -0.025 0.000 0.999 284 K CA 0.272 56.553 56.287 -0.011 0.000 0.980 284 K CB 0.570 33.067 32.500 -0.005 0.000 0.919 284 K HN -0.055 nan 8.250 nan 0.000 0.484 285 R N -0.338 120.148 120.500 -0.022 0.000 2.778 285 R HA 0.369 4.708 4.340 -0.000 0.000 0.277 285 R C 0.434 176.696 176.300 -0.064 0.000 0.977 285 R CA -0.472 55.604 56.100 -0.040 0.000 0.950 285 R CB 1.273 31.566 30.300 -0.011 0.000 1.165 285 R HN 0.855 nan 8.270 nan 0.000 0.474 286 G N 0.942 109.636 108.800 -0.176 0.000 2.256 286 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.272 286 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.272 286 G C -0.733 173.972 174.900 -0.325 0.000 1.076 286 G CA 0.049 44.893 45.100 -0.426 0.000 0.882 286 G HN 0.330 nan 8.290 nan 0.000 0.497 287 L N 0.747 121.834 121.223 -0.227 0.000 2.333 287 L HA 0.855 5.194 4.340 -0.000 0.000 0.280 287 L C 0.538 177.344 176.870 -0.107 0.000 1.004 287 L CA -0.304 54.463 54.840 -0.123 0.000 0.820 287 L CB 1.547 43.572 42.059 -0.056 0.000 1.247 287 L HN 0.707 nan 8.230 nan 0.000 0.416 288 A N 6.239 129.023 122.820 -0.061 0.000 2.366 288 A HA 0.672 4.992 4.320 -0.000 0.000 0.272 288 A C -0.725 176.884 177.584 0.041 0.000 1.135 288 A CA -0.239 51.791 52.037 -0.011 0.000 0.804 288 A CB 0.003 19.015 19.000 0.020 0.000 1.064 288 A HN 0.730 nan 8.150 nan 0.000 0.499 289 L N 1.222 122.469 121.223 0.039 0.000 2.309 289 L HA 0.419 4.759 4.340 -0.000 0.000 0.261 289 L C 0.214 177.132 176.870 0.080 0.000 1.021 289 L CA -0.884 53.988 54.840 0.054 0.000 0.823 289 L CB 2.040 44.111 42.059 0.019 0.000 1.366 289 L HN 0.856 nan 8.230 nan 0.000 0.423 290 D N -0.765 119.689 120.400 0.090 0.000 2.325 290 D HA 0.282 4.922 4.640 -0.000 0.000 0.225 290 D C 0.342 176.704 176.300 0.104 0.000 1.096 290 D CA 0.038 54.110 54.000 0.120 0.000 0.844 290 D CB 0.764 41.664 40.800 0.167 0.000 0.925 290 D HN 0.594 nan 8.370 nan 0.000 0.513 291 G N -0.782 108.068 108.800 0.084 0.000 2.490 291 G HA2 0.340 4.299 3.960 -0.000 0.000 0.308 291 G HA3 0.340 4.299 3.960 -0.000 0.000 0.308 291 G C -1.358 173.584 174.900 0.070 0.000 1.286 291 G CA -1.020 44.142 45.100 0.104 0.000 0.825 291 G HN -0.061 nan 8.290 nan 0.000 0.479 292 K N 0.612 121.063 120.400 0.085 0.000 2.249 292 K HA 0.275 4.595 4.320 -0.000 0.000 0.280 292 K C 1.208 177.733 176.600 -0.126 0.000 1.033 292 K CA -0.800 55.447 56.287 -0.067 0.000 0.946 292 K CB 1.946 34.319 32.500 -0.211 0.000 1.005 292 K HN 0.348 nan 8.250 nan 0.000 0.469 293 L N 4.301 125.456 121.223 -0.114 0.000 2.089 293 L HA -0.267 4.073 4.340 -0.000 0.000 0.213 293 L C 1.966 178.759 176.870 -0.129 0.000 1.079 293 L CA 2.020 56.802 54.840 -0.096 0.000 0.758 293 L CB -0.494 41.515 42.059 -0.083 0.000 0.891 293 L HN 0.717 nan 8.230 nan 0.000 0.433 294 K N -1.953 118.309 120.400 -0.230 0.000 2.211 294 K HA -0.101 4.219 4.320 -0.000 0.000 0.203 294 K C 0.237 176.722 176.600 -0.193 0.000 1.050 294 K CA 0.589 56.736 56.287 -0.234 0.000 0.945 294 K CB -0.610 31.720 32.500 -0.283 0.000 0.732 294 K HN 0.317 nan 8.250 nan 0.000 0.451 295 H N 2.052 121.112 119.070 -0.016 0.000 2.610 295 H HA 0.112 4.668 4.556 -0.000 0.000 0.336 295 H C 0.568 175.884 175.328 -0.020 0.000 1.087 295 H CA -0.167 55.868 56.048 -0.020 0.000 1.405 295 H CB 1.291 31.038 29.762 -0.026 0.000 1.460 295 H HN 0.249 nan 8.280 nan 0.000 0.538 296 E N 1.018 121.286 120.200 0.112 0.000 2.204 296 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 296 E C 0.581 177.208 176.600 0.045 0.000 0.989 296 E CA 1.151 57.582 56.400 0.052 0.000 0.824 296 E CB 0.219 29.939 29.700 0.034 0.000 0.756 296 E HN 0.621 nan 8.360 nan 0.000 0.477 297 D N 0.147 120.578 120.400 0.052 0.000 2.328 297 D HA -0.032 4.608 4.640 -0.000 0.000 0.226 297 D C 0.220 176.559 176.300 0.065 0.000 1.066 297 D CA 0.139 54.167 54.000 0.047 0.000 0.861 297 D CB -0.233 40.578 40.800 0.019 0.000 0.912 297 D HN -0.211 nan 8.370 nan 0.000 0.521 298 T N 1.231 115.824 114.554 0.065 0.000 2.907 298 T HA 0.228 4.578 4.350 -0.000 0.000 0.298 298 T C 0.167 174.864 174.700 -0.004 0.000 1.017 298 T CA -0.234 61.895 62.100 0.050 0.000 1.118 298 T CB 0.889 69.788 68.868 0.051 0.000 0.948 298 T HN 0.096 nan 8.240 nan 0.000 0.531 299 N N 1.084 119.752 118.700 -0.054 0.000 2.761 299 N HA 0.454 5.193 4.740 -0.000 0.000 0.283 299 N C -0.529 174.897 175.510 -0.139 0.000 1.377 299 N CA -0.756 52.175 53.050 -0.198 0.000 0.791 299 N CB 1.392 39.497 38.487 -0.636 0.000 1.540 299 N HN 0.383 nan 8.380 nan 0.000 0.539 300 L N 1.307 122.447 121.223 -0.138 0.000 2.499 300 L HA 0.137 4.477 4.340 -0.000 0.000 0.281 300 L C 1.103 178.054 176.870 0.134 0.000 1.234 300 L CA -0.220 54.657 54.840 0.060 0.000 0.839 300 L CB 0.182 42.335 42.059 0.157 0.000 1.104 300 L HN 0.576 nan 8.230 nan 0.000 0.500 301 A N 2.406 125.369 122.820 0.238 0.000 2.425 301 A HA 0.328 4.648 4.320 -0.000 0.000 0.242 301 A C 0.405 178.245 177.584 0.428 0.000 1.077 301 A CA -0.252 51.951 52.037 0.276 0.000 0.781 301 A CB 0.193 19.316 19.000 0.205 0.000 1.020 301 A HN 0.776 nan 8.150 nan 0.000 0.494 302 S N 1.500 117.428 115.700 0.380 0.000 2.617 302 S HA 0.455 4.925 4.470 -0.000 0.000 0.269 302 S C 0.280 175.057 174.600 0.295 0.000 1.292 302 S CA -0.433 57.974 58.200 0.346 0.000 1.010 302 S CB 0.724 64.079 63.200 0.259 0.000 0.944 302 S HN 0.719 nan 8.310 nan 0.000 0.536 303 S N 1.887 117.746 115.700 0.266 0.000 2.549 303 S HA 0.151 4.621 4.470 -0.000 0.000 0.286 303 S C 0.303 174.975 174.600 0.120 0.000 1.314 303 S CA -0.325 57.989 58.200 0.189 0.000 1.062 303 S CB -0.038 63.234 63.200 0.121 0.000 0.865 303 S HN 0.760 nan 8.310 nan 0.000 0.498 304 T N 4.827 119.437 114.554 0.093 0.000 2.834 304 T HA 0.134 4.484 4.350 -0.000 0.000 0.298 304 T C 0.104 174.837 174.700 0.055 0.000 0.966 304 T CA -0.311 61.836 62.100 0.077 0.000 1.141 304 T CB 0.075 68.983 68.868 0.066 0.000 0.905 304 T HN 0.304 nan 8.240 nan 0.000 0.535 305 L N 5.011 126.266 121.223 0.054 0.000 2.283 305 L HA 0.329 4.669 4.340 -0.000 0.000 0.287 305 L C -0.130 176.761 176.870 0.035 0.000 1.073 305 L CA 0.008 54.871 54.840 0.039 0.000 0.822 305 L CB 0.355 42.437 42.059 0.039 0.000 1.186 305 L HN 0.608 nan 8.230 nan 0.000 0.436 306 L N 5.747 126.985 121.223 0.025 0.000 2.272 306 L HA 0.379 4.719 4.340 -0.000 0.000 0.284 306 L C 0.565 177.445 176.870 0.018 0.000 1.045 306 L CA -0.440 54.413 54.840 0.021 0.000 0.842 306 L CB 0.721 42.788 42.059 0.014 0.000 1.224 306 L HN 0.505 nan 8.230 nan 0.000 0.430 307 R N 1.616 122.129 120.500 0.021 0.000 2.643 307 R HA 0.083 4.423 4.340 -0.000 0.000 0.270 307 R C 0.171 176.480 176.300 0.015 0.000 1.061 307 R CA -0.471 55.641 56.100 0.019 0.000 1.107 307 R CB 0.591 30.905 30.300 0.023 0.000 0.999 307 R HN 0.456 nan 8.270 nan 0.000 0.460 308 E N 1.058 121.265 120.200 0.013 0.000 2.585 308 E HA -0.043 4.307 4.350 -0.000 0.000 0.252 308 E C 0.398 177.005 176.600 0.011 0.000 0.981 308 E CA 0.986 57.392 56.400 0.010 0.000 0.943 308 E CB 0.172 29.877 29.700 0.010 0.000 0.923 308 E HN 0.771 nan 8.360 nan 0.000 0.486 309 G N 2.803 111.608 108.800 0.008 0.000 2.272 309 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.280 309 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.280 309 G C -0.049 174.857 174.900 0.011 0.000 1.067 309 G CA 0.088 45.193 45.100 0.008 0.000 0.902 309 G HN 0.723 nan 8.290 nan 0.000 0.500 310 A N -0.271 122.555 122.820 0.011 0.000 2.325 310 A HA 0.731 5.051 4.320 -0.000 0.000 0.333 310 A C 0.435 178.025 177.584 0.011 0.000 1.155 310 A CA -0.444 51.601 52.037 0.014 0.000 0.814 310 A CB 0.802 19.813 19.000 0.018 0.000 1.206 310 A HN 0.604 nan 8.150 nan 0.000 0.482 311 N N 1.130 119.837 118.700 0.012 0.000 2.406 311 N HA -0.028 4.711 4.740 -0.000 0.000 0.265 311 N C 1.220 176.734 175.510 0.006 0.000 1.203 311 N CA 0.039 53.093 53.050 0.007 0.000 0.945 311 N CB 0.529 39.022 38.487 0.009 0.000 1.165 311 N HN 0.763 nan 8.380 nan 0.000 0.485 312 R N 3.084 123.584 120.500 -0.000 0.000 2.193 312 R HA -0.051 4.288 4.340 -0.000 0.000 0.213 312 R C 1.335 177.628 176.300 -0.011 0.000 1.055 312 R CA 0.963 57.063 56.100 0.000 0.000 0.995 312 R CB -0.158 30.141 30.300 -0.001 0.000 0.893 312 R HN 0.645 nan 8.270 nan 0.000 0.459 313 E N 2.111 122.297 120.200 -0.023 0.000 2.110 313 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 313 E C 1.874 178.435 176.600 -0.065 0.000 0.988 313 E CA 1.589 57.960 56.400 -0.048 0.000 0.804 313 E CB -0.220 29.452 29.700 -0.047 0.000 0.745 313 E HN 0.691 nan 8.360 nan 0.000 0.458 314 I N -1.228 119.323 120.570 -0.032 0.000 3.550 314 I HA 0.005 4.175 4.170 -0.000 0.000 0.295 314 I C 1.425 177.540 176.117 -0.003 0.000 1.291 314 I CA 0.282 61.569 61.300 -0.022 0.000 1.298 314 I CB -0.077 37.930 38.000 0.011 0.000 1.026 314 I HN 0.056 nan 8.210 nan 0.000 0.491 315 L N 1.219 122.441 121.223 -0.001 0.000 2.558 315 L HA 0.328 4.668 4.340 -0.000 0.000 0.225 315 L C 2.035 178.934 176.870 0.048 0.000 1.128 315 L CA 0.730 55.594 54.840 0.041 0.000 0.868 315 L CB -0.391 41.696 42.059 0.048 0.000 1.006 315 L HN 0.609 nan 8.230 nan 0.000 0.454 316 G N 1.339 110.097 108.800 -0.070 0.000 4.148 316 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.221 316 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.221 316 G C 0.342 175.266 174.900 0.041 0.000 1.373 316 G CA 0.379 45.363 45.100 -0.193 0.000 0.940 316 G HN 0.230 nan 8.290 nan 0.000 0.610 317 I N 1.966 122.644 120.570 0.181 0.000 2.466 317 I HA 0.454 4.623 4.170 -0.000 0.000 0.289 317 I C -0.616 175.577 176.117 0.127 0.000 1.026 317 I CA -0.975 60.441 61.300 0.193 0.000 1.078 317 I CB 1.944 40.091 38.000 0.245 0.000 1.249 317 I HN 0.040 nan 8.210 nan 0.000 0.429 318 I N 7.118 127.746 120.570 0.098 0.000 2.330 318 I HA 0.377 4.546 4.170 -0.000 0.000 0.289 318 I C -0.066 176.086 176.117 0.059 0.000 1.001 318 I CA -0.670 60.671 61.300 0.068 0.000 1.193 318 I CB 1.462 39.487 38.000 0.043 0.000 1.345 318 I HN 0.140 nan 8.210 nan 0.000 0.461 319 V N 6.162 126.103 119.914 0.045 0.000 2.459 319 V HA 0.652 4.772 4.120 -0.000 0.000 0.295 319 V C 0.188 176.249 176.094 -0.055 0.000 1.029 319 V CA -0.321 61.971 62.300 -0.013 0.000 0.874 319 V CB 1.902 33.739 31.823 0.023 0.000 0.985 319 V HN 0.949 nan 8.190 nan 0.000 0.438 320 S N 3.899 119.504 115.700 -0.160 0.000 2.618 320 S HA 0.856 5.326 4.470 -0.000 0.000 0.277 320 S C -1.612 172.786 174.600 -0.336 0.000 1.138 320 S CA -0.800 57.319 58.200 -0.137 0.000 0.844 320 S CB 1.883 65.055 63.200 -0.047 0.000 1.127 320 S HN 0.412 nan 8.310 nan 0.000 0.474 321 Y N -0.080 120.120 120.300 -0.167 0.000 2.512 321 Y HA 0.698 5.248 4.550 -0.000 0.000 0.348 321 Y C 0.019 175.754 175.900 -0.273 0.000 0.990 321 Y CA -0.765 57.167 58.100 -0.280 0.000 1.033 321 Y CB 2.319 40.320 38.460 -0.765 0.000 1.259 321 Y HN 0.677 nan 8.280 nan 0.000 0.461 322 K N 1.230 121.763 120.400 0.222 0.000 2.477 322 K HA 0.706 5.025 4.320 -0.000 0.000 0.255 322 K C -1.625 175.221 176.600 0.410 0.000 0.952 322 K CA -1.060 55.410 56.287 0.305 0.000 0.826 322 K CB 3.024 35.703 32.500 0.299 0.000 1.331 322 K HN 0.312 nan 8.250 nan 0.000 0.437 323 V N 2.309 122.450 119.914 0.379 0.000 2.481 323 V HA 0.286 4.406 4.120 -0.000 0.000 0.286 323 V C -0.275 175.911 176.094 0.153 0.000 1.042 323 V CA -0.465 61.974 62.300 0.231 0.000 0.928 323 V CB 1.388 33.286 31.823 0.125 0.000 0.986 323 V HN 0.598 nan 8.190 nan 0.000 0.462 324 K N 3.698 124.161 120.400 0.106 0.000 2.270 324 K HA 0.709 5.029 4.320 -0.000 0.000 0.255 324 K C -1.666 174.951 176.600 0.027 0.000 0.936 324 K CA -0.528 55.804 56.287 0.074 0.000 0.809 324 K CB 1.990 34.534 32.500 0.073 0.000 1.131 324 K HN 0.457 nan 8.250 nan 0.000 0.427 325 V N 4.953 124.878 119.914 0.018 0.000 2.378 325 V HA 0.337 4.457 4.120 -0.000 0.000 0.288 325 V C -0.555 175.526 176.094 -0.022 0.000 1.016 325 V CA -0.734 61.558 62.300 -0.014 0.000 0.840 325 V CB 1.365 33.194 31.823 0.010 0.000 0.994 325 V HN 0.710 nan 8.190 nan 0.000 0.431 326 K N 5.619 125.991 120.400 -0.048 0.000 2.345 326 K HA 0.663 4.983 4.320 -0.000 0.000 0.255 326 K C -1.439 175.120 176.600 -0.068 0.000 0.934 326 K CA -0.732 55.529 56.287 -0.044 0.000 0.801 326 K CB 1.756 34.236 32.500 -0.033 0.000 1.137 326 K HN 0.594 nan 8.250 nan 0.000 0.424 327 L N 4.331 125.516 121.223 -0.062 0.000 2.264 327 L HA 0.368 4.708 4.340 -0.000 0.000 0.289 327 L C -0.378 176.453 176.870 -0.066 0.000 1.044 327 L CA -1.241 53.551 54.840 -0.080 0.000 0.807 327 L CB 1.642 43.653 42.059 -0.080 0.000 1.192 327 L HN 0.318 nan 8.230 nan 0.000 0.425 328 V N 4.795 124.667 119.914 -0.070 0.000 2.385 328 V HA 0.191 4.311 4.120 -0.000 0.000 0.269 328 V C 0.401 176.463 176.094 -0.053 0.000 1.043 328 V CA -0.470 61.799 62.300 -0.052 0.000 0.906 328 V CB 1.580 33.374 31.823 -0.048 0.000 0.995 328 V HN 0.420 nan 8.190 nan 0.000 0.467 329 V N 5.139 125.028 119.914 -0.042 0.000 2.509 329 V HA 0.307 4.427 4.120 -0.000 0.000 0.284 329 V C 0.710 176.787 176.094 -0.028 0.000 1.047 329 V CA -0.317 61.961 62.300 -0.037 0.000 0.952 329 V CB 2.052 33.858 31.823 -0.029 0.000 0.988 329 V HN 1.033 nan 8.190 nan 0.000 0.469 330 S N 5.177 120.861 115.700 -0.027 0.000 2.549 330 S HA 0.329 4.799 4.470 -0.000 0.000 0.279 330 S C 0.117 174.710 174.600 -0.012 0.000 1.321 330 S CA -0.659 57.529 58.200 -0.019 0.000 1.054 330 S CB 0.469 63.658 63.200 -0.018 0.000 0.899 330 S HN 0.545 nan 8.310 nan 0.000 0.497 331 R N 3.067 123.562 120.500 -0.009 0.000 2.878 331 R HA 0.345 4.685 4.340 -0.000 0.000 0.239 331 R C 1.421 177.719 176.300 -0.003 0.000 1.515 331 R CA 0.165 56.262 56.100 -0.005 0.000 1.210 331 R CB -0.922 29.375 30.300 -0.004 0.000 1.209 331 R HN 0.937 nan 8.270 nan 0.000 0.610 342 D N 0.324 120.718 120.400 -0.010 0.000 2.527 342 D HA 0.681 5.321 4.640 -0.000 0.000 0.233 342 D C -1.130 175.159 176.300 -0.018 0.000 1.063 342 D CA -0.263 53.727 54.000 -0.018 0.000 0.880 342 D CB 1.898 42.687 40.800 -0.018 0.000 1.457 342 D HN 0.482 nan 8.370 nan 0.000 0.475 343 V N 0.321 120.219 119.914 -0.027 0.000 2.604 343 V HA 0.919 5.038 4.120 -0.000 0.000 0.305 343 V C -0.239 175.840 176.094 -0.026 0.000 1.043 343 V CA -0.618 61.664 62.300 -0.029 0.000 0.888 343 V CB 1.437 33.236 31.823 -0.041 0.000 0.995 343 V HN 0.792 nan 8.190 nan 0.000 0.429 344 A N 3.632 126.440 122.820 -0.020 0.000 2.606 344 A HA 0.996 5.316 4.320 -0.000 0.000 0.293 344 A C -1.024 176.557 177.584 -0.004 0.000 1.082 344 A CA -0.473 51.558 52.037 -0.010 0.000 0.685 344 A CB 2.275 21.275 19.000 -0.001 0.000 1.284 344 A HN 1.681 nan 8.150 nan 0.000 0.408 345 V N -1.936 117.984 119.914 0.010 0.000 3.078 345 V HA 0.860 4.980 4.120 -0.000 0.000 0.311 345 V C -0.800 175.318 176.094 0.040 0.000 1.138 345 V CA -0.748 61.563 62.300 0.018 0.000 1.007 345 V CB 1.753 33.587 31.823 0.019 0.000 1.045 345 V HN 0.924 nan 8.190 nan 0.000 0.432 346 E N 2.028 122.257 120.200 0.048 0.000 2.256 346 E HA 0.731 5.081 4.350 -0.000 0.000 0.267 346 E C -1.625 175.027 176.600 0.087 0.000 0.892 346 E CA -0.846 55.601 56.400 0.078 0.000 0.775 346 E CB 2.704 32.452 29.700 0.080 0.000 1.207 346 E HN 0.689 nan 8.360 nan 0.000 0.420 347 L N 3.435 124.736 121.223 0.130 0.000 2.343 347 L HA 0.456 4.796 4.340 -0.000 0.000 0.278 347 L C -2.513 174.491 176.870 0.223 0.000 0.996 347 L CA -2.303 52.628 54.840 0.151 0.000 0.831 347 L CB 1.512 43.663 42.059 0.153 0.000 1.232 347 L HN 0.218 nan 8.230 nan 0.000 0.413 348 P HA 0.339 nan 4.420 nan 0.000 0.275 348 P C -1.086 176.377 177.300 0.272 0.000 1.228 348 P CA -0.071 63.117 63.100 0.146 0.000 0.786 348 P CB 0.616 32.356 31.700 0.066 0.000 0.927 349 F N -1.904 118.127 119.950 0.134 0.000 2.711 349 F HA 0.701 5.228 4.527 -0.000 0.000 0.313 349 F C -1.311 174.572 175.800 0.139 0.000 1.141 349 F CA -0.891 57.198 58.000 0.148 0.000 0.941 349 F CB 0.781 39.916 39.000 0.224 0.000 1.349 349 F HN -0.002 nan 8.300 nan 0.000 0.464 350 T N 3.341 118.042 114.554 0.245 0.000 2.779 350 T HA 0.487 4.837 4.350 -0.000 0.000 0.280 350 T C -1.093 173.691 174.700 0.140 0.000 0.987 350 T CA -0.482 61.661 62.100 0.072 0.000 0.966 350 T CB 1.194 70.070 68.868 0.014 0.000 0.933 350 T HN 0.673 nan 8.240 nan 0.000 0.442 351 L N 5.161 126.405 121.223 0.034 0.000 2.287 351 L HA 0.573 4.912 4.340 -0.000 0.000 0.287 351 L C -0.741 176.081 176.870 -0.080 0.000 1.022 351 L CA -0.602 54.228 54.840 -0.018 0.000 0.814 351 L CB 1.007 42.947 42.059 -0.199 0.000 1.217 351 L HN 0.489 nan 8.230 nan 0.000 0.420 352 M N 2.625 122.112 119.600 -0.189 0.000 2.662 352 M HA 0.296 4.776 4.480 -0.000 0.000 0.310 352 M C -0.650 175.564 176.300 -0.143 0.000 1.204 352 M CA -0.804 54.445 55.300 -0.086 0.000 0.891 352 M CB 1.721 34.315 32.600 -0.010 0.000 1.732 352 M HN 0.492 nan 8.290 nan 0.000 0.467 353 H N 1.721 120.781 119.070 -0.016 0.000 2.683 353 H HA 0.300 4.856 4.556 -0.000 0.000 0.339 353 H C -2.357 173.127 175.328 0.260 0.000 1.081 353 H CA -0.487 55.608 56.048 0.079 0.000 1.432 353 H CB 0.795 30.665 29.762 0.179 0.000 1.462 353 H HN 0.185 nan 8.280 nan 0.000 0.557 354 P HA -0.018 nan 4.420 nan 0.000 0.269 354 P C -0.833 176.419 177.300 -0.081 0.000 1.217 354 P CA -0.083 62.936 63.100 -0.135 0.000 0.783 354 P CB 0.497 32.075 31.700 -0.204 0.000 0.898 355 K N 3.569 123.788 120.400 -0.301 0.000 2.401 355 K HA 0.045 4.365 4.320 -0.000 0.000 0.278 355 K C -1.326 175.108 176.600 -0.276 0.000 1.018 355 K CA -0.984 54.958 56.287 -0.574 0.000 0.981 355 K CB -0.292 31.833 32.500 -0.625 0.000 0.933 355 K HN 0.292 nan 8.250 nan 0.000 0.477 356 P HA -0.295 nan 4.420 nan 0.000 0.222 356 P C -0.434 176.816 177.300 -0.083 0.000 1.159 356 P CA 2.541 65.579 63.100 -0.103 0.000 0.920 356 P CB -0.201 31.448 31.700 -0.084 0.000 0.793 384 D N 0.274 120.643 120.400 -0.052 0.000 2.304 384 D HA 0.376 5.016 4.640 -0.000 0.000 0.247 384 D C -0.003 176.252 176.300 -0.075 0.000 1.089 384 D CA -0.396 53.570 54.000 -0.057 0.000 0.910 384 D CB 1.220 41.987 40.800 -0.055 0.000 1.199 384 D HN 0.228 nan 8.370 nan 0.000 0.426 385 D N 0.312 120.665 120.400 -0.078 0.000 2.601 385 D HA -0.092 4.548 4.640 -0.000 0.000 0.229 385 D C -0.095 176.120 176.300 -0.141 0.000 1.140 385 D CA 0.051 53.991 54.000 -0.100 0.000 0.862 385 D CB 0.423 41.170 40.800 -0.088 0.000 1.192 385 D HN 0.145 nan 8.370 nan 0.000 0.480 386 I N 2.425 122.879 120.570 -0.193 0.000 2.779 386 I HA 0.129 4.299 4.170 -0.000 0.000 0.285 386 I C -0.008 175.881 176.117 -0.379 0.000 1.134 386 I CA -0.030 61.087 61.300 -0.305 0.000 1.398 386 I CB 1.121 38.876 38.000 -0.409 0.000 1.404 386 I HN 0.121 nan 8.210 nan 0.000 0.587 387 V N 6.083 125.733 119.914 -0.439 0.000 2.655 387 V HA 0.341 4.461 4.120 -0.000 0.000 0.301 387 V C -0.644 175.226 176.094 -0.372 0.000 1.082 387 V CA -0.755 61.329 62.300 -0.361 0.000 0.899 387 V CB 1.402 33.108 31.823 -0.195 0.000 1.014 387 V HN 0.325 nan 8.190 nan 0.000 0.429 388 F N 2.388 122.325 119.950 -0.021 0.000 2.370 388 F HA 0.735 5.262 4.527 0.000 0.000 0.324 388 F C 0.492 176.264 175.800 -0.046 0.000 1.116 388 F CA -0.574 57.420 58.000 -0.010 0.000 1.123 388 F CB 1.088 40.130 39.000 0.070 0.000 1.238 388 F HN 0.587 nan 8.300 nan 0.000 0.536 389 E N 0.375 120.679 120.200 0.174 0.000 2.375 389 E HA 0.192 4.542 4.350 -0.000 0.000 0.280 389 E C -1.912 174.801 176.600 0.189 0.000 0.972 389 E CA -0.863 55.597 56.400 0.100 0.000 0.782 389 E CB 1.444 31.122 29.700 -0.036 0.000 1.229 389 E HN 0.452 nan 8.360 nan 0.000 0.439 390 D N 2.946 123.455 120.400 0.181 0.000 2.414 390 D HA 0.026 4.666 4.640 -0.000 0.000 0.242 390 D C 0.553 177.046 176.300 0.322 0.000 1.129 390 D CA 0.193 54.316 54.000 0.205 0.000 0.885 390 D CB 0.602 41.483 40.800 0.135 0.000 1.198 390 D HN 0.401 nan 8.370 nan 0.000 0.437 391 F N 2.362 122.425 119.950 0.188 0.000 2.113 391 F HA -0.016 4.511 4.527 -0.000 0.000 0.297 391 F C 1.276 177.091 175.800 0.026 0.000 1.103 391 F CA 0.747 58.839 58.000 0.154 0.000 1.248 391 F CB -0.157 38.900 39.000 0.096 0.000 0.999 391 F HN 0.419 nan 8.300 nan 0.000 0.475 392 A N 2.749 125.698 122.820 0.214 0.000 2.589 392 A HA -0.105 4.215 4.320 -0.000 0.000 0.265 392 A C 0.590 178.115 177.584 -0.099 0.000 0.973 392 A CA 0.201 52.285 52.037 0.077 0.000 0.902 392 A CB -0.509 18.549 19.000 0.096 0.000 0.846 392 A HN 0.564 nan 8.150 nan 0.000 0.489 393 R N 0.000 120.345 120.500 -0.258 0.000 2.786 393 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 393 R CA 0.000 55.885 56.100 -0.359 0.000 0.921 393 R CB 0.000 29.832 30.300 -0.781 0.000 0.687 393 R HN 0.000 nan 8.270 nan 0.000 0.535