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 1hgf_1_F DATA FIRST_RESID 1 DATA SEQUENCE GLFGAIAGFI ENGWEGMIDG WYGFRHQNSE GTGQAADLKS TQAAIDQING DATA SEQUENCE KLNRVIEKTN EKFHQIEKEF SEVEGRIQDL EKYVEDTKID LWSYNAELLV DATA SEQUENCE ALENQHTIDL TDSEMNKLFE KTRRQLRENA EEMGNGCFKI YHKcDNAcIE DATA SEQUENCE SIRNGTYDHD VYRDEALNNR FQIKG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.886 174.900 -0.023 0.000 0.946 1 G CA 0.000 45.110 45.100 0.016 0.000 0.502 2 L N -0.136 121.041 121.223 -0.077 0.000 2.191 2 L HA -0.187 nan 4.340 nan 0.000 0.212 2 L C 1.203 177.728 176.870 -0.575 0.000 1.103 2 L CA 2.389 57.014 54.840 -0.359 0.000 0.769 2 L CB 0.374 42.097 42.059 -0.560 0.000 0.908 2 L HN 0.024 8.568 8.230 0.011 -0.307 0.438 3 F N -3.044 116.912 119.950 0.010 0.000 2.714 3 F HA 0.067 nan 4.527 nan 0.000 0.294 3 F C 0.902 176.731 175.800 0.049 0.000 1.120 3 F CA 0.413 58.431 58.000 0.031 0.000 1.398 3 F CB 0.602 39.618 39.000 0.028 0.000 1.120 3 F HN -0.280 8.349 8.300 0.199 -0.210 0.589 4 G N -2.885 105.983 108.800 0.113 0.000 2.143 4 G HA2 -0.466 nan 3.960 nan 0.000 0.248 4 G HA3 -0.466 nan 3.960 nan 0.000 0.248 4 G C -0.847 174.073 174.900 0.033 0.000 0.991 4 G CA 0.158 45.305 45.100 0.079 0.000 0.689 4 G HN -0.143 8.487 8.290 0.102 -0.279 0.522 5 A N 1.203 123.940 122.820 -0.138 0.000 1.922 5 A HA 0.286 nan 4.320 nan 0.000 0.216 5 A C -0.163 177.101 177.584 -0.533 0.000 1.370 5 A CA 0.801 52.388 52.037 -0.750 0.000 0.627 5 A CB 0.993 19.629 19.000 -0.607 0.000 1.060 5 A HN -0.199 8.177 8.150 -0.002 -0.227 0.487 6 I N -0.556 119.840 120.570 -0.291 0.000 2.683 6 I HA -0.443 nan 4.170 nan 0.000 0.286 6 I C -0.193 175.825 176.117 -0.165 0.000 1.175 6 I CA 1.794 62.965 61.300 -0.215 0.000 1.429 6 I CB -0.060 37.865 38.000 -0.124 0.000 1.371 6 I HN -0.580 7.780 8.210 -0.195 -0.267 0.569 7 A N 4.568 127.290 122.820 -0.163 0.000 2.783 7 A HA -0.335 nan 4.320 nan 0.000 0.292 7 A C -1.145 176.380 177.584 -0.098 0.000 1.495 7 A CA 0.941 52.909 52.037 -0.114 0.000 0.787 7 A CB -1.304 17.644 19.000 -0.086 0.000 1.017 7 A HN 0.515 8.549 8.150 -0.193 0.000 0.516 8 G N -2.149 106.570 108.800 -0.135 0.000 3.341 8 G HA2 0.193 nan 3.960 nan 0.000 0.186 8 G HA3 0.193 nan 3.960 nan 0.000 0.186 8 G C -0.449 174.416 174.900 -0.059 0.000 1.430 8 G CA -0.177 44.876 45.100 -0.079 0.000 0.961 8 G HN -0.304 7.854 8.290 -0.200 0.012 0.767 9 F N -0.197 119.686 119.950 -0.113 0.000 2.604 9 F HA 0.090 nan 4.527 nan 0.000 0.298 9 F C -0.121 175.591 175.800 -0.147 0.000 1.131 9 F CA 0.736 58.651 58.000 -0.142 0.000 1.457 9 F CB 0.661 39.534 39.000 -0.211 0.000 1.095 9 F HN 0.034 8.227 8.300 -0.011 0.100 0.574 10 I N 1.012 121.357 120.570 -0.375 0.000 2.310 10 I HA -0.012 nan 4.170 nan 0.000 0.287 10 I C 0.015 176.021 176.117 -0.185 0.000 1.073 10 I CA -0.862 60.262 61.300 -0.294 0.000 1.216 10 I CB -0.525 37.177 38.000 -0.497 0.000 1.415 10 I HN -0.395 7.449 8.210 -0.525 0.051 0.480 11 E N 9.361 129.512 120.200 -0.083 0.000 2.108 11 E HA -0.391 nan 4.350 nan 0.000 0.203 11 E C -1.247 175.312 176.600 -0.068 0.000 1.022 11 E CA 2.632 59.001 56.400 -0.052 0.000 0.823 11 E CB 0.277 29.974 29.700 -0.005 0.000 0.744 11 E HN 0.641 8.976 8.360 -0.043 0.000 0.456 12 N N -4.831 113.820 118.700 -0.082 0.000 3.179 12 N HA -0.021 nan 4.740 nan 0.000 0.250 12 N C -1.099 174.315 175.510 -0.159 0.000 1.507 12 N CA -0.621 52.374 53.050 -0.090 0.000 0.883 12 N CB 1.182 39.653 38.487 -0.026 0.000 1.435 12 N HN -0.404 7.925 8.380 -0.085 0.000 0.532 13 G N -2.255 106.456 108.800 -0.148 0.000 2.511 13 G HA2 0.228 nan 3.960 nan 0.000 0.316 13 G HA3 0.228 nan 3.960 nan 0.000 0.316 13 G C -1.054 173.817 174.900 -0.048 0.000 1.210 13 G CA -0.963 43.992 45.100 -0.242 0.000 0.969 13 G HN -0.049 8.186 8.290 -0.092 0.000 0.492 14 W N -0.714 120.550 121.300 -0.059 0.000 2.318 14 W HA 0.265 nan 4.660 nan 0.000 0.315 14 W C 0.964 177.454 176.519 -0.048 0.000 1.033 14 W CA -2.879 54.442 57.345 -0.040 0.000 1.275 14 W CB -0.578 28.869 29.460 -0.021 0.000 1.250 14 W HN 0.087 8.156 8.180 -0.184 0.000 0.421 15 E N 5.179 125.471 120.200 0.154 0.000 2.268 15 E HA -0.219 nan 4.350 nan 0.000 0.195 15 E C 1.211 177.856 176.600 0.075 0.000 0.995 15 E CA 2.011 58.452 56.400 0.068 0.000 0.836 15 E CB -0.231 29.490 29.700 0.034 0.000 0.763 15 E HN 0.604 9.055 8.360 0.153 0.000 0.491 16 G N -1.101 107.760 108.800 0.101 0.000 2.509 16 G HA2 -0.162 nan 3.960 nan 0.000 0.218 16 G HA3 -0.162 nan 3.960 nan 0.000 0.218 16 G C -1.035 173.920 174.900 0.092 0.000 1.124 16 G CA -0.389 44.748 45.100 0.062 0.000 0.776 16 G HN 0.007 8.344 8.290 0.128 0.029 0.547 17 M N 2.253 121.953 119.600 0.166 0.000 2.319 17 M HA 0.033 nan 4.480 nan 0.000 0.343 17 M C -0.076 176.291 176.300 0.111 0.000 1.364 17 M CA -0.019 55.387 55.300 0.176 0.000 1.292 17 M CB -0.249 32.528 32.600 0.295 0.000 1.432 17 M HN -0.745 7.505 8.290 0.195 0.157 0.448 18 I N 1.312 121.934 120.570 0.087 0.000 3.883 18 I HA 0.193 nan 4.170 nan 0.000 0.326 18 I C -0.159 176.007 176.117 0.082 0.000 1.283 18 I CA 0.845 62.186 61.300 0.069 0.000 1.161 18 I CB -0.111 37.919 38.000 0.049 0.000 1.012 18 I HN 0.015 8.275 8.210 0.083 0.000 0.421 19 D N -0.543 119.915 120.400 0.098 0.000 2.395 19 D HA 0.107 nan 4.640 nan 0.000 0.213 19 D C -0.246 176.121 176.300 0.112 0.000 1.110 19 D CA -0.115 53.942 54.000 0.095 0.000 0.835 19 D CB -0.003 40.849 40.800 0.086 0.000 0.965 19 D HN -0.016 8.366 8.370 0.109 0.054 0.505 20 G N -2.858 106.031 108.800 0.148 0.000 2.349 20 G HA2 -0.053 nan 3.960 nan 0.000 0.294 20 G HA3 -0.053 nan 3.960 nan 0.000 0.294 20 G C -2.049 173.002 174.900 0.252 0.000 1.380 20 G CA 0.163 45.364 45.100 0.168 0.000 0.811 20 G HN -0.821 7.559 8.290 0.150 0.000 0.519 21 W N -0.662 120.540 121.300 -0.162 0.000 2.704 21 W HA 0.154 nan 4.660 nan 0.000 0.266 21 W C -0.197 175.946 176.519 -0.626 0.000 1.266 21 W CA -0.977 56.112 57.345 -0.427 0.000 1.377 21 W CB 1.357 30.444 29.460 -0.622 0.000 1.082 21 W HN -0.065 8.216 8.180 0.168 0.000 0.608 22 Y N -5.922 114.455 120.300 0.129 0.000 2.570 22 Y HA 0.257 nan 4.550 nan 0.000 0.345 22 Y C -1.144 174.723 175.900 -0.056 0.000 1.014 22 Y CA -1.097 56.981 58.100 -0.036 0.000 1.063 22 Y CB 2.965 41.385 38.460 -0.067 0.000 1.272 22 Y HN -0.706 7.662 8.280 0.147 0.000 0.477 23 G N -1.420 107.374 108.800 -0.011 0.000 2.340 23 G HA2 0.379 nan 3.960 nan 0.000 0.299 23 G HA3 0.379 nan 3.960 nan 0.000 0.299 23 G C -2.232 172.643 174.900 -0.042 0.000 1.291 23 G CA 0.577 45.677 45.100 -0.001 0.000 0.841 23 G HN -0.044 8.190 8.290 -0.094 0.000 0.500 24 F N -0.904 119.262 119.950 0.361 0.000 2.532 24 F HA 0.329 nan 4.527 nan 0.000 0.321 24 F C -1.134 174.843 175.800 0.296 0.000 1.089 24 F CA -1.242 56.963 58.000 0.341 0.000 0.926 24 F CB 3.779 42.888 39.000 0.181 0.000 1.168 24 F HN 0.531 9.137 8.300 0.511 0.000 0.459 25 R N 1.702 122.462 120.500 0.434 0.000 2.628 25 R HA 0.753 nan 4.340 nan 0.000 0.288 25 R C -1.591 174.856 176.300 0.245 0.000 0.980 25 R CA -1.110 55.075 56.100 0.141 0.000 0.891 25 R CB 3.445 33.592 30.300 -0.254 0.000 1.188 25 R HN 0.364 8.968 8.270 0.558 0.000 0.450 26 H N 2.096 121.178 119.070 0.020 0.000 3.016 26 H HA 0.392 nan 4.556 nan 0.000 0.362 26 H C -2.502 172.814 175.328 -0.019 0.000 1.233 26 H CA -1.238 54.820 56.048 0.018 0.000 1.124 26 H CB 3.113 32.882 29.762 0.012 0.000 1.850 26 H HN 0.385 8.717 8.280 0.087 0.000 0.549 27 Q N 1.768 121.441 119.800 -0.212 0.000 2.320 27 Q HA 0.256 nan 4.340 nan 0.000 0.268 27 Q C -1.541 174.393 176.000 -0.110 0.000 1.023 27 Q CA -1.342 54.312 55.803 -0.249 0.000 0.744 27 Q CB 1.646 30.300 28.738 -0.140 0.000 1.246 27 Q HN 0.215 8.470 8.270 -0.025 0.000 0.462 28 N N 3.828 122.479 118.700 -0.080 0.000 2.653 28 N HA 0.327 nan 4.740 nan 0.000 0.294 28 N C 1.326 176.827 175.510 -0.015 0.000 1.305 28 N CA -1.656 51.397 53.050 0.004 0.000 0.827 28 N CB 2.297 40.839 38.487 0.091 0.000 1.415 28 N HN 0.657 8.929 8.380 -0.180 0.000 0.546 29 S N -2.453 113.246 115.700 -0.003 0.000 2.571 29 S HA -0.230 nan 4.470 nan 0.000 0.245 29 S C 0.368 174.971 174.600 0.005 0.000 0.976 29 S CA 2.733 60.932 58.200 -0.001 0.000 0.954 29 S CB -0.720 62.486 63.200 0.010 0.000 0.756 29 S HN 0.198 8.508 8.310 -0.000 0.000 0.535 30 E N -0.443 119.765 120.200 0.014 0.000 2.485 30 E HA 0.177 nan 4.350 nan 0.000 0.213 30 E C -0.510 176.094 176.600 0.006 0.000 0.923 30 E CA -0.223 56.189 56.400 0.019 0.000 1.054 30 E CB 1.707 31.431 29.700 0.041 0.000 1.077 30 E HN -0.570 7.923 8.360 0.019 -0.122 0.509 31 G N -1.610 107.176 108.800 -0.022 0.000 2.368 31 G HA2 -0.123 nan 3.960 nan 0.000 0.269 31 G HA3 -0.123 nan 3.960 nan 0.000 0.269 31 G C -3.149 171.639 174.900 -0.187 0.000 1.291 31 G CA 0.170 45.231 45.100 -0.065 0.000 0.903 31 G HN -0.599 7.712 8.290 -0.027 -0.037 0.483 32 T N -4.061 110.355 114.554 -0.230 0.000 2.896 32 T HA 1.003 nan 4.350 nan 0.000 0.297 32 T C -1.187 173.340 174.700 -0.288 0.000 1.108 32 T CA -2.335 59.512 62.100 -0.423 0.000 1.004 32 T CB 2.939 71.653 68.868 -0.256 0.000 1.159 32 T HN -0.103 8.057 8.240 -0.134 0.000 0.499 33 G N -1.164 107.484 108.800 -0.253 0.000 2.550 33 G HA2 0.221 nan 3.960 nan 0.000 0.293 33 G HA3 0.221 nan 3.960 nan 0.000 0.293 33 G C -3.711 171.268 174.900 0.132 0.000 1.402 33 G CA 0.498 45.652 45.100 0.089 0.000 0.784 33 G HN -0.082 7.953 8.290 -0.424 0.000 0.482 34 Q N -1.550 118.311 119.800 0.102 0.000 2.456 34 Q HA 0.844 nan 4.340 nan 0.000 0.283 34 Q C -2.195 173.893 176.000 0.147 0.000 1.084 34 Q CA -1.928 53.927 55.803 0.086 0.000 0.801 34 Q CB 3.772 32.497 28.738 -0.021 0.000 1.434 34 Q HN 0.022 8.349 8.270 0.095 0.000 0.419 35 A N 1.641 124.594 122.820 0.223 0.000 2.530 35 A HA 0.314 nan 4.320 nan 0.000 0.297 35 A C -2.594 175.165 177.584 0.291 0.000 1.059 35 A CA 0.453 52.621 52.037 0.219 0.000 0.782 35 A CB 3.710 22.826 19.000 0.193 0.000 1.301 35 A HN 0.807 9.132 8.150 0.292 0.000 0.394 36 A N 2.775 125.730 122.820 0.224 0.000 2.386 36 A HA 0.189 nan 4.320 nan 0.000 0.248 36 A C -1.334 176.392 177.584 0.235 0.000 1.082 36 A CA -0.500 51.666 52.037 0.216 0.000 0.789 36 A CB 0.476 19.572 19.000 0.161 0.000 1.025 36 A HN -0.012 8.474 8.150 0.176 -0.231 0.490 37 D N 0.431 120.959 120.400 0.212 0.000 2.274 37 D HA 0.163 nan 4.640 nan 0.000 0.239 37 D C 0.361 176.749 176.300 0.147 0.000 1.104 37 D CA -0.280 53.852 54.000 0.220 0.000 0.840 37 D CB 1.385 42.275 40.800 0.150 0.000 1.100 37 D HN 0.387 8.739 8.370 0.174 0.122 0.477 38 L N 4.578 125.868 121.223 0.112 0.000 2.477 38 L HA 0.036 nan 4.340 nan 0.000 0.220 38 L C 1.392 178.279 176.870 0.028 0.000 1.106 38 L CA 1.526 56.400 54.840 0.056 0.000 0.851 38 L CB 0.174 42.257 42.059 0.039 0.000 0.994 38 L HN 0.555 8.859 8.230 0.124 0.000 0.462 39 K N 1.009 121.434 120.400 0.041 0.000 2.031 39 K HA -0.319 nan 4.320 nan 0.000 0.205 39 K C 2.292 178.887 176.600 -0.008 0.000 1.049 39 K CA 4.030 60.324 56.287 0.010 0.000 0.939 39 K CB -0.078 32.432 32.500 0.017 0.000 0.717 39 K HN -0.475 7.920 8.250 0.072 -0.102 0.438 40 S N -1.870 113.833 115.700 0.005 0.000 2.406 40 S HA -0.197 nan 4.470 nan 0.000 0.228 40 S C 2.043 176.704 174.600 0.103 0.000 1.020 40 S CA 3.802 61.978 58.200 -0.040 0.000 0.965 40 S CB -0.276 62.807 63.200 -0.195 0.000 0.798 40 S HN 0.193 8.895 8.310 0.029 -0.375 0.488 41 T N 5.487 120.128 114.554 0.145 0.000 2.720 41 T HA -0.338 nan 4.350 nan 0.000 0.268 41 T C 2.071 176.606 174.700 -0.275 0.000 1.037 41 T CA 4.561 66.633 62.100 -0.047 0.000 1.144 41 T CB -0.715 68.101 68.868 -0.087 0.000 0.864 41 T HN -0.590 7.735 8.240 0.142 0.000 0.444 42 Q N 1.322 121.025 119.800 -0.161 0.000 2.083 42 Q HA -0.235 nan 4.340 nan 0.000 0.198 42 Q C 1.629 177.536 176.000 -0.154 0.000 0.969 42 Q CA 2.464 58.163 55.803 -0.173 0.000 0.838 42 Q CB -0.709 27.970 28.738 -0.098 0.000 0.900 42 Q HN -0.002 8.132 8.270 -0.085 0.085 0.436 43 A N -0.541 122.218 122.820 -0.102 0.000 1.883 43 A HA -0.344 nan 4.320 nan 0.000 0.217 43 A C 1.919 179.453 177.584 -0.084 0.000 1.186 43 A CA 3.074 55.062 52.037 -0.081 0.000 0.624 43 A CB -0.980 17.977 19.000 -0.072 0.000 0.822 43 A HN 0.129 8.231 8.150 -0.080 0.000 0.444 44 A N -1.788 120.987 122.820 -0.074 0.000 1.902 44 A HA -0.289 nan 4.320 nan 0.000 0.217 44 A C 2.029 179.503 177.584 -0.183 0.000 1.181 44 A CA 2.985 55.006 52.037 -0.026 0.000 0.623 44 A CB -0.667 18.461 19.000 0.213 0.000 0.818 44 A HN -0.033 8.094 8.150 -0.039 0.000 0.443 45 I N -1.805 118.493 120.570 -0.454 0.000 2.252 45 I HA -0.602 nan 4.170 nan 0.000 0.245 45 I C 1.776 177.801 176.117 -0.154 0.000 1.102 45 I CA 4.151 65.210 61.300 -0.402 0.000 1.385 45 I CB -0.347 37.343 38.000 -0.516 0.000 1.064 45 I HN -0.317 7.516 8.210 -0.505 0.075 0.414 46 D N -0.018 120.308 120.400 -0.124 0.000 2.117 46 D HA -0.294 nan 4.640 nan 0.000 0.197 46 D C 2.768 179.053 176.300 -0.024 0.000 0.987 46 D CA 3.874 57.837 54.000 -0.061 0.000 0.829 46 D CB -0.650 40.118 40.800 -0.053 0.000 0.961 46 D HN 0.244 8.522 8.370 -0.153 0.000 0.460 47 Q N -0.100 119.690 119.800 -0.016 0.000 2.084 47 Q HA -0.291 nan 4.340 nan 0.000 0.202 47 Q C 2.762 178.788 176.000 0.043 0.000 0.978 47 Q CA 3.214 59.029 55.803 0.021 0.000 0.844 47 Q CB 0.145 28.897 28.738 0.023 0.000 0.898 47 Q HN -0.664 7.585 8.270 -0.036 0.000 0.426 48 I N -0.012 120.585 120.570 0.045 0.000 2.286 48 I HA -0.573 nan 4.170 nan 0.000 0.248 48 I C 1.800 177.952 176.117 0.059 0.000 1.115 48 I CA 3.888 65.233 61.300 0.076 0.000 1.392 48 I CB -0.337 37.742 38.000 0.133 0.000 1.065 48 I HN -0.266 7.960 8.210 0.028 0.000 0.418 49 N N -0.022 118.698 118.700 0.033 0.000 2.188 49 N HA -0.262 nan 4.740 nan 0.000 0.184 49 N C 2.419 177.945 175.510 0.027 0.000 1.018 49 N CA 3.615 56.681 53.050 0.027 0.000 0.858 49 N CB -0.246 38.246 38.487 0.008 0.000 0.989 49 N HN 0.124 8.418 8.380 0.014 0.094 0.426 50 G N 0.205 109.021 108.800 0.026 0.000 2.421 50 G HA2 -0.353 nan 3.960 nan 0.000 0.216 50 G HA3 -0.353 nan 3.960 nan 0.000 0.216 50 G C 0.538 175.461 174.900 0.038 0.000 1.171 50 G CA 1.881 46.998 45.100 0.028 0.000 0.775 50 G HN 0.337 8.561 8.290 0.023 0.080 0.543 51 K N 2.273 122.705 120.400 0.054 0.000 2.032 51 K HA -0.307 nan 4.320 nan 0.000 0.209 51 K C 1.864 178.494 176.600 0.050 0.000 1.048 51 K CA 2.945 59.270 56.287 0.064 0.000 0.927 51 K CB 0.051 32.609 32.500 0.096 0.000 0.712 51 K HN -0.297 7.988 8.250 0.058 0.000 0.441 52 L N -1.097 120.153 121.223 0.046 0.000 2.083 52 L HA -0.318 nan 4.340 nan 0.000 0.209 52 L C 1.859 178.746 176.870 0.028 0.000 1.083 52 L CA 2.649 57.511 54.840 0.038 0.000 0.752 52 L CB -0.460 41.622 42.059 0.039 0.000 0.899 52 L HN -0.066 8.114 8.230 0.050 0.080 0.433 53 N N -1.176 117.539 118.700 0.025 0.000 2.188 53 N HA -0.337 nan 4.740 nan 0.000 0.184 53 N C 2.443 177.965 175.510 0.019 0.000 1.018 53 N CA 3.035 56.097 53.050 0.019 0.000 0.858 53 N CB -0.453 38.044 38.487 0.016 0.000 0.989 53 N HN 0.040 8.332 8.380 0.028 0.104 0.426 54 R N 0.362 120.876 120.500 0.023 0.000 2.096 54 R HA -0.207 nan 4.340 nan 0.000 0.235 54 R C 3.109 179.423 176.300 0.023 0.000 1.127 54 R CA 3.014 59.127 56.100 0.022 0.000 0.968 54 R CB -0.122 30.193 30.300 0.025 0.000 0.861 54 R HN -0.505 7.780 8.270 0.026 0.000 0.440 55 V N 0.685 120.614 119.914 0.025 0.000 2.548 55 V HA -0.251 nan 4.120 nan 0.000 0.249 55 V C 1.460 177.563 176.094 0.016 0.000 1.055 55 V CA 3.409 65.724 62.300 0.025 0.000 1.065 55 V CB -0.226 31.613 31.823 0.027 0.000 0.681 55 V HN -0.604 7.596 8.190 0.028 0.006 0.462 56 I N -3.126 117.452 120.570 0.012 0.000 3.578 56 I HA -0.093 nan 4.170 nan 0.000 0.295 56 I C -0.139 175.978 176.117 -0.001 0.000 1.280 56 I CA 0.533 61.835 61.300 0.003 0.000 1.347 56 I CB 0.532 38.536 38.000 0.005 0.000 1.051 56 I HN -0.556 7.538 8.210 0.015 0.125 0.460 57 E N 0.940 121.143 120.200 0.004 0.000 2.415 57 E HA -0.202 nan 4.350 nan 0.000 0.260 57 E C -0.611 175.987 176.600 -0.004 0.000 1.016 57 E CA 0.500 56.901 56.400 0.003 0.000 0.924 57 E CB 0.070 29.776 29.700 0.010 0.000 0.961 57 E HN -0.623 7.564 8.360 0.010 0.179 0.459 58 K N 6.343 126.738 120.400 -0.010 0.000 5.167 58 K HA -0.232 nan 4.320 nan 0.000 0.510 58 K C -0.410 176.168 176.600 -0.037 0.000 1.254 58 K CA 0.594 56.870 56.287 -0.018 0.000 1.209 58 K CB -0.467 32.027 32.500 -0.010 0.000 1.889 58 K HN 0.278 8.524 8.250 -0.007 0.000 0.302 59 T N 0.693 115.216 114.554 -0.051 0.000 2.779 59 T HA 0.106 nan 4.350 nan 0.000 0.296 59 T C 0.079 174.726 174.700 -0.087 0.000 0.938 59 T CA -0.690 61.360 62.100 -0.084 0.000 1.119 59 T CB 0.228 69.045 68.868 -0.085 0.000 0.891 59 T HN 0.170 8.385 8.240 -0.043 0.000 0.526 60 N N 5.218 123.855 118.700 -0.105 0.000 2.513 60 N HA -0.042 nan 4.740 nan 0.000 0.274 60 N C -1.126 174.293 175.510 -0.152 0.000 1.189 60 N CA -0.894 52.096 53.050 -0.099 0.000 0.975 60 N CB 1.764 40.204 38.487 -0.079 0.000 1.157 60 N HN 0.321 8.624 8.380 -0.129 0.000 0.465 61 E N -1.216 118.876 120.200 -0.180 0.000 2.202 61 E HA 0.174 nan 4.350 nan 0.000 0.272 61 E C -1.016 175.305 176.600 -0.465 0.000 0.951 61 E CA -0.659 55.538 56.400 -0.338 0.000 0.813 61 E CB 1.250 30.721 29.700 -0.381 0.000 1.151 61 E HN 0.175 8.456 8.360 -0.132 0.000 0.398 62 K N 1.652 121.694 120.400 -0.597 0.000 2.422 62 K HA 0.346 nan 4.320 nan 0.000 0.251 62 K C -1.202 175.010 176.600 -0.647 0.000 0.933 62 K CA -0.586 55.418 56.287 -0.472 0.000 0.798 62 K CB 1.285 33.648 32.500 -0.229 0.000 1.238 62 K HN 0.256 8.153 8.250 -0.590 0.000 0.428 63 F N 1.179 121.144 119.950 0.025 0.000 2.229 63 F HA 0.170 nan 4.527 nan 0.000 0.199 63 F C -0.341 175.514 175.800 0.091 0.000 1.184 63 F CA -0.341 57.687 58.000 0.047 0.000 1.216 63 F CB 0.069 39.097 39.000 0.046 0.000 1.633 63 F HN -0.093 8.191 8.300 -0.027 0.000 0.431 64 H N 1.688 120.886 119.070 0.214 0.000 2.955 64 H HA 0.033 nan 4.556 nan 0.000 0.290 64 H C -0.498 174.871 175.328 0.069 0.000 1.047 64 H CA 0.649 56.761 56.048 0.107 0.000 1.484 64 H CB -0.186 29.628 29.762 0.086 0.000 1.501 64 H HN -0.090 8.467 8.280 0.461 0.000 0.521 65 Q N 6.204 125.909 119.800 -0.158 0.000 3.087 65 Q HA 0.130 nan 4.340 nan 0.000 0.202 65 Q C -1.223 174.624 176.000 -0.256 0.000 1.163 65 Q CA -0.975 54.732 55.803 -0.160 0.000 0.389 65 Q CB 1.294 29.986 28.738 -0.076 0.000 5.541 65 Q HN 0.563 8.762 8.270 -0.118 0.000 0.301 66 I N -3.173 117.317 120.570 -0.133 0.000 2.982 66 I HA 0.194 nan 4.170 nan 0.000 0.312 66 I C -0.884 175.186 176.117 -0.078 0.000 1.041 66 I CA -2.309 58.935 61.300 -0.093 0.000 1.053 66 I CB 1.579 39.577 38.000 -0.003 0.000 1.248 66 I HN -0.083 8.076 8.210 -0.085 0.000 0.471 67 E N 1.485 121.657 120.200 -0.047 0.000 2.366 67 E HA 0.040 nan 4.350 nan 0.000 0.266 67 E C -0.187 176.279 176.600 -0.223 0.000 1.051 67 E CA 0.198 56.505 56.400 -0.155 0.000 0.884 67 E CB 0.726 30.303 29.700 -0.205 0.000 1.006 67 E HN 0.352 8.723 8.360 0.019 0.000 0.417 68 K N 0.297 120.506 120.400 -0.319 0.000 2.483 68 K HA 0.251 nan 4.320 nan 0.000 0.206 68 K C -0.834 175.554 176.600 -0.354 0.000 1.086 68 K CA -0.144 56.007 56.287 -0.226 0.000 1.052 68 K CB 0.620 33.064 32.500 -0.093 0.000 0.904 68 K HN 0.243 8.312 8.250 -0.302 0.000 0.557 69 E N -0.265 119.517 120.200 -0.697 0.000 2.308 69 E HA 0.095 nan 4.350 nan 0.000 0.275 69 E C -1.850 174.262 176.600 -0.815 0.000 0.890 69 E CA 0.030 56.119 56.400 -0.518 0.000 0.754 69 E CB 2.700 32.255 29.700 -0.242 0.000 1.207 69 E HN -0.397 7.436 8.360 -0.879 0.000 0.426 70 F N 0.469 120.426 119.950 0.012 0.000 2.577 70 F HA 0.348 nan 4.527 nan 0.000 0.318 70 F C 0.422 176.228 175.800 0.011 0.000 1.065 70 F CA -0.228 57.779 58.000 0.012 0.000 0.929 70 F CB 2.308 41.316 39.000 0.013 0.000 1.237 70 F HN 0.050 8.374 8.300 0.038 0.000 0.468 71 S N -0.516 115.282 115.700 0.163 0.000 2.526 71 S HA 0.015 nan 4.470 nan 0.000 0.220 71 S C -0.386 174.269 174.600 0.092 0.000 1.017 71 S CA 0.394 58.653 58.200 0.098 0.000 0.930 71 S CB 0.648 63.883 63.200 0.058 0.000 0.856 71 S HN 0.412 8.827 8.310 0.174 0.000 0.497 72 E N 1.131 121.397 120.200 0.109 0.000 2.316 72 E HA 0.128 nan 4.350 nan 0.000 0.258 72 E C -1.568 175.064 176.600 0.053 0.000 0.952 72 E CA -1.361 55.080 56.400 0.067 0.000 0.818 72 E CB 2.034 31.768 29.700 0.057 0.000 1.260 72 E HN -0.637 7.820 8.360 0.161 0.000 0.416 73 V N 0.338 120.265 119.914 0.021 0.000 2.394 73 V HA 0.116 nan 4.120 nan 0.000 0.282 73 V C -0.808 175.271 176.094 -0.025 0.000 1.031 73 V CA -0.125 62.170 62.300 -0.007 0.000 0.881 73 V CB 0.818 32.639 31.823 -0.005 0.000 0.982 73 V HN 0.310 8.512 8.190 0.020 0.000 0.451 74 E N 4.368 124.530 120.200 -0.062 0.000 2.474 74 E HA 0.082 nan 4.350 nan 0.000 0.215 74 E C -0.029 176.530 176.600 -0.068 0.000 0.867 74 E CA -0.471 55.893 56.400 -0.060 0.000 1.135 74 E CB 1.281 30.936 29.700 -0.075 0.000 1.147 74 E HN 0.573 8.875 8.360 -0.096 0.000 0.534 75 G N -0.256 108.493 108.800 -0.085 0.000 2.503 75 G HA2 -0.419 nan 3.960 nan 0.000 0.235 75 G HA3 -0.419 nan 3.960 nan 0.000 0.235 75 G C -0.140 174.707 174.900 -0.088 0.000 1.179 75 G CA -0.388 44.668 45.100 -0.074 0.000 0.944 75 G HN -0.469 7.758 8.290 -0.105 0.000 0.580 76 R N 2.574 123.033 120.500 -0.069 0.000 2.136 76 R HA -0.371 nan 4.340 nan 0.000 0.242 76 R C 1.609 177.864 176.300 -0.075 0.000 1.131 76 R CA 2.968 59.028 56.100 -0.067 0.000 0.937 76 R CB -0.116 30.154 30.300 -0.050 0.000 0.863 76 R HN 0.338 8.574 8.270 -0.056 0.000 0.435 77 I N -2.096 118.431 120.570 -0.071 0.000 2.252 77 I HA -0.331 nan 4.170 nan 0.000 0.245 77 I C 1.110 177.158 176.117 -0.115 0.000 1.102 77 I CA 2.416 63.676 61.300 -0.065 0.000 1.385 77 I CB -0.043 37.932 38.000 -0.042 0.000 1.064 77 I HN -0.148 8.024 8.210 -0.062 0.000 0.414 78 Q N -0.360 119.317 119.800 -0.205 0.000 2.230 78 Q HA -0.368 nan 4.340 nan 0.000 0.202 78 Q C 2.232 178.040 176.000 -0.320 0.000 0.963 78 Q CA 3.351 58.896 55.803 -0.430 0.000 0.866 78 Q CB -0.365 28.013 28.738 -0.600 0.000 0.931 78 Q HN -0.305 7.859 8.270 -0.176 0.000 0.452 79 D N 0.907 121.199 120.400 -0.180 0.000 2.117 79 D HA -0.297 nan 4.640 nan 0.000 0.197 79 D C 2.371 178.651 176.300 -0.034 0.000 0.987 79 D CA 3.471 57.410 54.000 -0.101 0.000 0.829 79 D CB -0.358 40.387 40.800 -0.091 0.000 0.961 79 D HN -0.170 8.091 8.370 -0.162 0.012 0.460 80 L N -0.206 120.998 121.223 -0.032 0.000 2.056 80 L HA -0.277 nan 4.340 nan 0.000 0.207 80 L C 1.324 178.243 176.870 0.082 0.000 1.078 80 L CA 3.142 58.003 54.840 0.036 0.000 0.749 80 L CB -0.074 41.992 42.059 0.012 0.000 0.901 80 L HN -0.480 7.712 8.230 -0.064 0.000 0.433 81 E N -1.430 118.792 120.200 0.036 0.000 2.160 81 E HA -0.458 nan 4.350 nan 0.000 0.195 81 E C 2.711 179.403 176.600 0.152 0.000 0.991 81 E CA 3.551 60.013 56.400 0.104 0.000 0.810 81 E CB -0.412 29.383 29.700 0.158 0.000 0.742 81 E HN -0.025 8.321 8.360 -0.023 0.000 0.466 82 K N -0.961 119.507 120.400 0.112 0.000 2.116 82 K HA -0.215 nan 4.320 nan 0.000 0.203 82 K C 2.204 178.895 176.600 0.153 0.000 1.052 82 K CA 2.887 59.267 56.287 0.156 0.000 0.952 82 K CB 0.107 32.677 32.500 0.117 0.000 0.729 82 K HN -0.344 7.820 8.250 0.019 0.098 0.446 83 Y N 1.168 121.481 120.300 0.023 0.000 2.224 83 Y HA -0.411 nan 4.550 nan 0.000 0.289 83 Y C 1.982 177.898 175.900 0.027 0.000 1.146 83 Y CA 3.694 61.805 58.100 0.018 0.000 1.182 83 Y CB 0.129 38.590 38.460 0.002 0.000 0.983 83 Y HN -0.264 8.161 8.280 0.241 0.000 0.524 84 V N -0.640 119.340 119.914 0.109 0.000 2.343 84 V HA -0.495 nan 4.120 nan 0.000 0.247 84 V C 1.842 177.930 176.094 -0.011 0.000 1.051 84 V CA 4.986 67.304 62.300 0.030 0.000 1.036 84 V CB -0.939 30.929 31.823 0.075 0.000 0.654 84 V HN 0.207 8.507 8.190 0.182 0.000 0.451 85 E N -1.203 119.013 120.200 0.028 0.000 2.152 85 E HA -0.288 nan 4.350 nan 0.000 0.192 85 E C 1.783 178.384 176.600 0.003 0.000 0.983 85 E CA 3.018 59.436 56.400 0.029 0.000 0.818 85 E CB -0.481 29.253 29.700 0.056 0.000 0.758 85 E HN -0.362 8.037 8.360 0.065 0.000 0.467 86 D N -1.748 118.635 120.400 -0.028 0.000 2.149 86 D HA -0.148 nan 4.640 nan 0.000 0.201 86 D C 1.833 178.070 176.300 -0.106 0.000 0.972 86 D CA 3.158 57.130 54.000 -0.046 0.000 0.835 86 D CB 0.331 41.107 40.800 -0.041 0.000 0.966 86 D HN 0.030 8.390 8.370 -0.017 0.000 0.476 87 T N -2.364 112.058 114.554 -0.219 0.000 2.985 87 T HA -0.149 nan 4.350 nan 0.000 0.266 87 T C 1.890 176.534 174.700 -0.094 0.000 1.076 87 T CA 3.231 65.198 62.100 -0.222 0.000 1.135 87 T CB -0.429 68.211 68.868 -0.381 0.000 0.890 87 T HN -0.227 7.846 8.240 -0.278 0.000 0.480 88 K N 2.613 122.995 120.400 -0.029 0.000 2.026 88 K HA -0.288 nan 4.320 nan 0.000 0.208 88 K C 1.812 178.505 176.600 0.155 0.000 1.048 88 K CA 3.432 59.767 56.287 0.078 0.000 0.929 88 K CB -0.094 32.477 32.500 0.119 0.000 0.713 88 K HN -0.228 7.994 8.250 -0.047 0.000 0.439 89 I N -0.405 120.230 120.570 0.108 0.000 2.226 89 I HA -0.558 nan 4.170 nan 0.000 0.245 89 I C 2.004 178.186 176.117 0.108 0.000 1.100 89 I CA 3.997 65.373 61.300 0.126 0.000 1.374 89 I CB -0.182 37.859 38.000 0.068 0.000 1.057 89 I HN 0.014 8.258 8.210 0.058 0.000 0.413 90 D N 0.152 120.578 120.400 0.044 0.000 2.144 90 D HA -0.207 nan 4.640 nan 0.000 0.200 90 D C 2.718 179.042 176.300 0.040 0.000 0.978 90 D CA 3.514 57.535 54.000 0.035 0.000 0.833 90 D CB -0.439 40.355 40.800 -0.011 0.000 0.961 90 D HN -0.379 7.997 8.370 0.010 0.000 0.470 91 L N -0.198 121.015 121.223 -0.017 0.000 2.056 91 L HA -0.349 nan 4.340 nan 0.000 0.207 91 L C 1.923 178.725 176.870 -0.115 0.000 1.078 91 L CA 3.238 58.015 54.840 -0.105 0.000 0.749 91 L CB -0.152 41.774 42.059 -0.221 0.000 0.901 91 L HN -0.406 7.808 8.230 -0.027 0.000 0.433 92 W N -1.722 119.599 121.300 0.036 0.000 2.425 92 W HA -0.368 nan 4.660 nan 0.000 0.277 92 W C 2.070 178.611 176.519 0.036 0.000 1.231 92 W CA 3.817 61.181 57.345 0.033 0.000 1.248 92 W CB -0.167 29.298 29.460 0.008 0.000 1.117 92 W HN 0.311 8.583 8.180 0.153 0.000 0.568 93 S N 0.141 115.979 115.700 0.231 0.000 2.387 93 S HA -0.331 nan 4.470 nan 0.000 0.226 93 S C 1.429 176.098 174.600 0.115 0.000 1.026 93 S CA 3.947 62.238 58.200 0.151 0.000 0.972 93 S CB -0.542 62.726 63.200 0.113 0.000 0.814 93 S HN 0.051 8.376 8.310 0.203 0.107 0.477 94 Y N 3.128 123.432 120.300 0.006 0.000 2.145 94 Y HA -0.470 nan 4.550 nan 0.000 0.286 94 Y C 0.978 176.866 175.900 -0.019 0.000 1.145 94 Y CA 3.742 61.831 58.100 -0.020 0.000 1.148 94 Y CB 0.106 38.534 38.460 -0.053 0.000 0.981 94 Y HN -0.175 8.236 8.280 0.217 0.000 0.507 95 N N -0.473 118.247 118.700 0.034 0.000 2.036 95 N HA -0.523 nan 4.740 nan 0.000 0.195 95 N C 2.225 177.718 175.510 -0.028 0.000 1.037 95 N CA 3.124 56.150 53.050 -0.040 0.000 0.855 95 N CB -0.806 37.653 38.487 -0.047 0.000 1.033 95 N HN -0.186 8.285 8.380 0.152 0.000 0.423 96 A N -0.610 122.250 122.820 0.067 0.000 1.933 96 A HA -0.273 nan 4.320 nan 0.000 0.218 96 A C 2.128 179.690 177.584 -0.036 0.000 1.175 96 A CA 3.170 55.235 52.037 0.047 0.000 0.628 96 A CB -0.723 18.324 19.000 0.078 0.000 0.814 96 A HN 0.008 8.243 8.150 0.143 0.000 0.444 97 E N -0.994 119.153 120.200 -0.089 0.000 2.072 97 E HA -0.245 nan 4.350 nan 0.000 0.191 97 E C 2.149 178.642 176.600 -0.178 0.000 0.985 97 E CA 2.455 58.784 56.400 -0.119 0.000 0.801 97 E CB -0.028 29.598 29.700 -0.123 0.000 0.750 97 E HN -0.584 7.703 8.360 -0.090 0.019 0.452 98 L N -0.177 120.857 121.223 -0.316 0.000 2.109 98 L HA -0.176 nan 4.340 nan 0.000 0.207 98 L C 1.480 178.263 176.870 -0.146 0.000 1.086 98 L CA 2.944 57.608 54.840 -0.293 0.000 0.760 98 L CB -0.182 41.601 42.059 -0.460 0.000 0.910 98 L HN -0.159 7.817 8.230 -0.424 0.000 0.437 99 L N -0.327 120.831 121.223 -0.107 0.000 1.970 99 L HA -0.370 nan 4.340 nan 0.000 0.212 99 L C 1.549 178.404 176.870 -0.024 0.000 1.071 99 L CA 3.677 58.492 54.840 -0.042 0.000 0.751 99 L CB -0.573 41.483 42.059 -0.004 0.000 0.889 99 L HN -0.047 8.105 8.230 -0.131 0.000 0.432 100 V N -4.884 115.016 119.914 -0.024 0.000 2.626 100 V HA -0.321 nan 4.120 nan 0.000 0.252 100 V C 1.465 177.552 176.094 -0.011 0.000 1.067 100 V CA 3.154 65.449 62.300 -0.008 0.000 1.081 100 V CB -1.505 30.314 31.823 -0.007 0.000 0.686 100 V HN -0.203 7.967 8.190 -0.034 0.000 0.468 101 A N 0.936 123.737 122.820 -0.031 0.000 1.898 101 A HA -0.267 nan 4.320 nan 0.000 0.216 101 A C 1.820 179.402 177.584 -0.005 0.000 1.181 101 A CA 3.175 55.199 52.037 -0.023 0.000 0.620 101 A CB -0.632 18.343 19.000 -0.042 0.000 0.819 101 A HN -0.498 7.521 8.150 -0.053 0.099 0.442 102 L N -1.884 119.333 121.223 -0.010 0.000 2.005 102 L HA -0.487 nan 4.340 nan 0.000 0.207 102 L C 2.430 179.328 176.870 0.046 0.000 1.072 102 L CA 3.260 58.105 54.840 0.008 0.000 0.744 102 L CB -0.647 41.404 42.059 -0.013 0.000 0.895 102 L HN 0.045 8.256 8.230 -0.031 0.000 0.433 103 E N -1.031 119.194 120.200 0.041 0.000 2.065 103 E HA -0.454 nan 4.350 nan 0.000 0.201 103 E C 2.849 179.509 176.600 0.100 0.000 1.016 103 E CA 3.173 59.622 56.400 0.082 0.000 0.818 103 E CB -0.684 29.049 29.700 0.055 0.000 0.749 103 E HN 0.133 8.503 8.360 0.017 0.000 0.453 104 N N -0.895 117.839 118.700 0.056 0.000 2.188 104 N HA -0.237 nan 4.740 nan 0.000 0.184 104 N C 2.422 177.960 175.510 0.047 0.000 1.018 104 N CA 2.703 55.777 53.050 0.041 0.000 0.858 104 N CB -0.325 38.171 38.487 0.016 0.000 0.989 104 N HN 0.121 8.523 8.380 0.037 0.000 0.426 105 Q N 0.611 120.446 119.800 0.058 0.000 2.084 105 Q HA -0.299 nan 4.340 nan 0.000 0.202 105 Q C 1.929 177.991 176.000 0.103 0.000 0.978 105 Q CA 3.192 59.032 55.803 0.061 0.000 0.844 105 Q CB -0.126 28.644 28.738 0.053 0.000 0.898 105 Q HN -0.180 8.121 8.270 0.052 0.000 0.426 106 H N -0.637 118.451 119.070 0.031 0.000 2.357 106 H HA -0.279 nan 4.556 nan 0.000 0.301 106 H C 2.004 177.366 175.328 0.057 0.000 1.082 106 H CA 4.051 60.127 56.048 0.047 0.000 1.342 106 H CB 0.674 30.460 29.762 0.040 0.000 1.389 106 H HN 0.098 8.502 8.280 0.207 0.000 0.511 107 T N 2.473 117.011 114.554 -0.027 0.000 2.759 107 T HA -0.338 nan 4.350 nan 0.000 0.269 107 T C 2.098 176.766 174.700 -0.052 0.000 1.042 107 T CA 5.567 67.623 62.100 -0.073 0.000 1.140 107 T CB -0.636 68.240 68.868 0.013 0.000 0.864 107 T HN 0.159 8.386 8.240 0.094 0.069 0.455 108 I N 0.765 121.325 120.570 -0.017 0.000 2.315 108 I HA -0.547 nan 4.170 nan 0.000 0.248 108 I C 1.512 177.638 176.117 0.015 0.000 1.117 108 I CA 4.150 65.446 61.300 -0.007 0.000 1.404 108 I CB -0.258 37.740 38.000 -0.003 0.000 1.071 108 I HN -0.029 8.091 8.210 0.003 0.092 0.419 109 D N 0.071 120.491 120.400 0.032 0.000 2.194 109 D HA -0.160 nan 4.640 nan 0.000 0.204 109 D C 2.369 178.717 176.300 0.079 0.000 0.964 109 D CA 3.196 57.272 54.000 0.127 0.000 0.846 109 D CB -0.153 40.762 40.800 0.192 0.000 0.962 109 D HN -0.458 7.929 8.370 0.028 0.000 0.490 110 L N -0.394 120.772 121.223 -0.095 0.000 1.989 110 L HA -0.393 nan 4.340 nan 0.000 0.211 110 L C 1.514 178.348 176.870 -0.061 0.000 1.071 110 L CA 3.665 58.411 54.840 -0.157 0.000 0.749 110 L CB 0.041 41.897 42.059 -0.339 0.000 0.890 110 L HN 0.436 8.556 8.230 -0.183 0.000 0.431 111 T N -3.682 110.885 114.554 0.022 0.000 2.915 111 T HA -0.348 nan 4.350 nan 0.000 0.269 111 T C 1.849 176.606 174.700 0.095 0.000 1.071 111 T CA 3.977 66.164 62.100 0.146 0.000 1.132 111 T CB -1.063 67.915 68.868 0.183 0.000 0.878 111 T HN -0.106 8.136 8.240 0.003 0.000 0.479 112 D N 2.241 122.667 120.400 0.044 0.000 2.117 112 D HA -0.273 nan 4.640 nan 0.000 0.197 112 D C 1.630 177.885 176.300 -0.074 0.000 0.987 112 D CA 3.019 57.045 54.000 0.044 0.000 0.829 112 D CB -0.271 40.629 40.800 0.167 0.000 0.961 112 D HN -0.478 7.816 8.370 0.049 0.105 0.460 113 S N -0.212 115.330 115.700 -0.264 0.000 2.343 113 S HA -0.339 nan 4.470 nan 0.000 0.219 113 S C 2.157 176.512 174.600 -0.408 0.000 1.033 113 S CA 3.774 61.558 58.200 -0.693 0.000 1.014 113 S CB -0.005 62.735 63.200 -0.766 0.000 0.915 113 S HN 0.004 8.232 8.310 -0.136 0.000 0.435 114 E N 0.851 120.866 120.200 -0.307 0.000 2.130 114 E HA -0.406 nan 4.350 nan 0.000 0.196 114 E C 2.385 178.634 176.600 -0.586 0.000 0.998 114 E CA 2.632 58.787 56.400 -0.407 0.000 0.806 114 E CB -0.522 28.930 29.700 -0.413 0.000 0.738 114 E HN -0.412 7.814 8.360 -0.223 0.000 0.459 115 M N -0.017 119.289 119.600 -0.490 0.000 2.059 115 M HA -0.371 nan 4.480 nan 0.000 0.259 115 M C 1.650 177.859 176.300 -0.150 0.000 1.072 115 M CA 3.156 58.249 55.300 -0.345 0.000 1.117 115 M CB -0.091 32.451 32.600 -0.097 0.000 1.320 115 M HN -0.175 7.928 8.290 -0.290 0.012 0.408 116 N N -1.292 117.355 118.700 -0.089 0.000 2.223 116 N HA -0.363 nan 4.740 nan 0.000 0.185 116 N C 1.981 177.549 175.510 0.096 0.000 1.016 116 N CA 3.569 56.679 53.050 0.100 0.000 0.863 116 N CB 0.065 38.621 38.487 0.116 0.000 0.983 116 N HN -0.292 8.000 8.380 -0.148 0.000 0.429 117 K N -0.041 120.316 120.400 -0.072 0.000 2.057 117 K HA -0.362 nan 4.320 nan 0.000 0.206 117 K C 2.347 178.935 176.600 -0.020 0.000 1.050 117 K CA 3.404 59.657 56.287 -0.058 0.000 0.935 117 K CB -0.159 32.258 32.500 -0.139 0.000 0.715 117 K HN 0.113 8.241 8.250 -0.181 0.014 0.439 118 L N -0.044 121.135 121.223 -0.074 0.000 2.083 118 L HA -0.317 nan 4.340 nan 0.000 0.209 118 L C 1.284 178.199 176.870 0.075 0.000 1.083 118 L CA 2.825 57.638 54.840 -0.045 0.000 0.752 118 L CB -0.535 41.430 42.059 -0.156 0.000 0.899 118 L HN -0.248 7.878 8.230 -0.172 0.000 0.433 119 F N 0.330 120.313 119.950 0.055 0.000 2.075 119 F HA -0.512 nan 4.527 nan 0.000 0.297 119 F C 1.467 177.408 175.800 0.235 0.000 1.113 119 F CA 4.207 62.332 58.000 0.208 0.000 1.218 119 F CB 0.094 39.265 39.000 0.285 0.000 0.984 119 F HN -0.000 8.375 8.300 0.258 0.080 0.472 120 E N -1.849 118.522 120.200 0.286 0.000 2.110 120 E HA -0.443 nan 4.350 nan 0.000 0.193 120 E C 2.436 179.045 176.600 0.015 0.000 0.988 120 E CA 3.319 59.816 56.400 0.162 0.000 0.804 120 E CB -0.686 29.119 29.700 0.175 0.000 0.745 120 E HN 0.129 8.725 8.360 0.394 0.000 0.458 121 K N 0.061 120.464 120.400 0.005 0.000 2.025 121 K HA -0.283 nan 4.320 nan 0.000 0.207 121 K C 2.411 178.962 176.600 -0.082 0.000 1.049 121 K CA 3.480 59.753 56.287 -0.023 0.000 0.933 121 K CB -0.106 32.394 32.500 -0.002 0.000 0.714 121 K HN -0.122 8.140 8.250 0.039 0.011 0.438 122 T N 2.211 116.701 114.554 -0.108 0.000 2.720 122 T HA -0.304 nan 4.350 nan 0.000 0.268 122 T C 1.872 176.270 174.700 -0.503 0.000 1.037 122 T CA 4.585 66.544 62.100 -0.234 0.000 1.144 122 T CB -0.751 68.049 68.868 -0.112 0.000 0.864 122 T HN -0.238 7.969 8.240 -0.056 0.000 0.444 123 R N 1.162 121.362 120.500 -0.499 0.000 2.094 123 R HA -0.444 nan 4.340 nan 0.000 0.239 123 R C 2.149 178.292 176.300 -0.262 0.000 1.137 123 R CA 3.467 59.294 56.100 -0.455 0.000 0.943 123 R CB -0.096 30.159 30.300 -0.076 0.000 0.850 123 R HN -0.162 7.831 8.270 -0.352 0.066 0.433 124 R N -2.985 117.426 120.500 -0.148 0.000 2.096 124 R HA -0.295 nan 4.340 nan 0.000 0.235 124 R C 2.705 178.940 176.300 -0.109 0.000 1.127 124 R CA 2.835 58.879 56.100 -0.093 0.000 0.968 124 R CB -0.300 29.969 30.300 -0.051 0.000 0.861 124 R HN -0.148 8.046 8.270 -0.126 0.000 0.440 125 Q N -0.189 119.531 119.800 -0.133 0.000 2.119 125 Q HA -0.223 nan 4.340 nan 0.000 0.201 125 Q C 1.185 177.157 176.000 -0.047 0.000 0.972 125 Q CA 2.627 58.385 55.803 -0.074 0.000 0.847 125 Q CB 0.034 28.715 28.738 -0.094 0.000 0.903 125 Q HN -0.606 7.467 8.270 -0.164 0.098 0.433 126 L N -4.051 117.032 121.223 -0.233 0.000 2.465 126 L HA -0.183 nan 4.340 nan 0.000 0.224 126 L C 0.670 177.552 176.870 0.021 0.000 1.145 126 L CA 0.637 55.354 54.840 -0.205 0.000 0.834 126 L CB -0.239 41.553 42.059 -0.444 0.000 0.944 126 L HN -0.526 7.502 8.230 -0.337 0.000 0.451 127 R N -2.769 117.704 120.500 -0.045 0.000 3.667 127 R HA -0.559 nan 4.340 nan 0.000 0.512 127 R C 1.678 178.004 176.300 0.044 0.000 0.242 127 R CA 2.696 58.765 56.100 -0.053 0.000 1.587 127 R CB -1.302 28.844 30.300 -0.257 0.000 0.889 127 R HN -0.758 7.285 8.270 -0.103 0.165 0.605 128 E N -0.410 119.867 120.200 0.129 0.000 2.444 128 E HA 0.093 nan 4.350 nan 0.000 0.191 128 E C 0.595 177.267 176.600 0.120 0.000 1.041 128 E CA -0.038 56.439 56.400 0.128 0.000 0.883 128 E CB -0.080 29.715 29.700 0.160 0.000 1.024 128 E HN 0.283 8.767 8.360 0.208 0.000 0.470 129 N N -1.302 117.506 118.700 0.180 0.000 2.205 129 N HA 0.144 nan 4.740 nan 0.000 0.201 129 N C -1.750 173.897 175.510 0.227 0.000 1.128 129 N CA -0.467 52.727 53.050 0.240 0.000 0.867 129 N CB 0.983 39.718 38.487 0.415 0.000 0.996 129 N HN -0.091 8.315 8.380 0.180 0.082 0.503 130 A N -2.232 120.693 122.820 0.174 0.000 2.587 130 A HA 0.526 nan 4.320 nan 0.000 0.293 130 A C -2.051 175.700 177.584 0.279 0.000 1.087 130 A CA -0.604 51.561 52.037 0.212 0.000 0.692 130 A CB 2.926 21.946 19.000 0.034 0.000 1.291 130 A HN -0.794 7.379 8.150 0.131 0.056 0.407 131 E N -1.149 119.263 120.200 0.355 0.000 2.288 131 E HA 0.193 nan 4.350 nan 0.000 0.268 131 E C -1.944 174.825 176.600 0.282 0.000 0.885 131 E CA -1.785 54.804 56.400 0.315 0.000 0.767 131 E CB 4.084 33.987 29.700 0.339 0.000 1.220 131 E HN 0.275 8.824 8.360 0.314 0.000 0.427 132 E N 4.800 125.128 120.200 0.212 0.000 2.223 132 E HA 0.044 nan 4.350 nan 0.000 0.282 132 E C -0.255 176.358 176.600 0.021 0.000 1.046 132 E CA 0.344 56.777 56.400 0.055 0.000 0.857 132 E CB 0.459 30.195 29.700 0.060 0.000 1.055 132 E HN 0.301 8.782 8.360 0.201 0.000 0.409 133 M N 6.466 126.052 119.600 -0.023 0.000 2.618 133 M HA -0.039 nan 4.480 nan 0.000 0.240 133 M C 0.584 176.869 176.300 -0.026 0.000 1.123 133 M CA 0.818 56.115 55.300 -0.004 0.000 1.060 133 M CB 0.439 33.040 32.600 0.002 0.000 1.535 133 M HN 0.735 8.979 8.290 -0.076 0.000 0.507 134 G N -1.831 106.925 108.800 -0.074 0.000 2.179 134 G HA2 -0.409 nan 3.960 nan 0.000 0.260 134 G HA3 -0.409 nan 3.960 nan 0.000 0.260 134 G C -0.471 174.394 174.900 -0.058 0.000 0.977 134 G CA 0.491 45.524 45.100 -0.111 0.000 0.641 134 G HN 0.400 8.643 8.290 -0.097 -0.011 0.533 135 N N -0.405 118.292 118.700 -0.006 0.000 2.416 135 N HA 0.072 nan 4.740 nan 0.000 0.267 135 N C 0.594 176.166 175.510 0.104 0.000 1.294 135 N CA -2.541 50.545 53.050 0.061 0.000 0.891 135 N CB -0.466 38.049 38.487 0.046 0.000 1.238 135 N HN -0.457 7.845 8.380 -0.017 0.067 0.508 136 G N -1.407 107.457 108.800 0.106 0.000 2.162 136 G HA2 -0.359 nan 3.960 nan 0.000 0.260 136 G HA3 -0.359 nan 3.960 nan 0.000 0.260 136 G C -0.391 174.636 174.900 0.211 0.000 0.976 136 G CA 0.809 46.029 45.100 0.201 0.000 0.655 136 G HN -0.377 7.839 8.290 -0.012 0.067 0.533 137 C N 1.092 120.429 119.300 0.062 0.000 2.351 137 C HA 0.325 nan 4.460 nan 0.000 0.326 137 C C -1.075 173.846 174.990 -0.115 0.000 1.272 137 C CA -0.783 58.266 59.018 0.051 0.000 1.650 137 C CB 0.488 28.281 27.740 0.087 0.000 2.257 137 C HN -0.529 7.867 8.230 0.032 -0.146 0.505 138 F N 2.028 122.055 119.950 0.128 0.000 2.404 138 F HA 0.289 nan 4.527 nan 0.000 0.339 138 F C -0.901 174.884 175.800 -0.025 0.000 1.105 138 F CA -0.696 57.331 58.000 0.045 0.000 1.087 138 F CB 1.502 40.486 39.000 -0.026 0.000 1.143 138 F HN 0.332 8.808 8.300 0.294 0.000 0.491 139 K N 4.334 124.796 120.400 0.104 0.000 2.284 139 K HA 0.192 nan 4.320 nan 0.000 0.287 139 K C -1.243 175.245 176.600 -0.187 0.000 1.081 139 K CA -1.013 55.204 56.287 -0.116 0.000 0.910 139 K CB 0.294 32.648 32.500 -0.243 0.000 1.088 139 K HN 0.705 9.042 8.250 0.145 0.000 0.478 140 I N 7.495 127.931 120.570 -0.223 0.000 2.337 140 I HA 0.016 nan 4.170 nan 0.000 0.291 140 I C 0.407 176.328 176.117 -0.326 0.000 1.046 140 I CA -0.247 60.896 61.300 -0.261 0.000 1.324 140 I CB 0.255 38.035 38.000 -0.368 0.000 1.409 140 I HN 0.483 8.575 8.210 -0.197 0.000 0.494 141 Y N 9.855 130.084 120.300 -0.119 0.000 2.871 141 Y HA -0.169 nan 4.550 nan 0.000 0.378 141 Y C -1.929 173.987 175.900 0.026 0.000 1.069 141 Y CA -0.060 58.009 58.100 -0.052 0.000 1.662 141 Y CB -1.993 36.446 38.460 -0.035 0.000 1.561 141 Y HN 0.289 8.676 8.280 0.178 0.000 0.483 142 H N -7.056 112.055 119.070 0.068 0.000 3.003 142 H HA 0.213 nan 4.556 nan 0.000 0.327 142 H C -2.001 173.332 175.328 0.008 0.000 1.353 142 H CA -2.052 54.034 56.048 0.063 0.000 1.142 142 H CB 2.063 31.878 29.762 0.088 0.000 1.864 142 H HN -0.658 7.381 8.280 -0.276 0.075 0.529 143 K N 0.795 121.340 120.400 0.242 0.000 2.402 143 K HA -0.079 nan 4.320 nan 0.000 0.285 143 K C -0.954 175.744 176.600 0.163 0.000 1.054 143 K CA 0.190 56.560 56.287 0.140 0.000 1.001 143 K CB 0.080 32.665 32.500 0.143 0.000 0.946 143 K HN -0.047 8.785 8.250 0.296 -0.404 0.473 144 c N 7.151 125.754 118.600 0.005 0.000 2.437 144 c HA 0.218 nan 4.570 nan 0.000 0.307 144 c C -0.960 173.143 174.090 0.022 0.000 1.093 144 c CA -2.146 54.179 56.329 -0.007 0.000 1.463 144 c CB -0.058 42.333 42.510 -0.199 0.000 1.926 144 c HN 0.434 8.635 8.230 -0.048 0.000 0.420 145 D N 6.029 126.467 120.400 0.063 0.000 2.393 145 D HA -0.078 nan 4.640 nan 0.000 0.246 145 D C 0.665 176.986 176.300 0.034 0.000 1.275 145 D CA -0.318 53.716 54.000 0.057 0.000 0.979 145 D CB 0.831 41.670 40.800 0.066 0.000 1.101 145 D HN -0.050 8.379 8.370 0.099 0.000 0.505 146 N N -0.724 117.996 118.700 0.034 0.000 2.289 146 N HA -0.315 nan 4.740 nan 0.000 0.184 146 N C 2.152 177.644 175.510 -0.031 0.000 1.016 146 N CA 2.904 55.951 53.050 -0.005 0.000 0.872 146 N CB -0.288 38.216 38.487 0.028 0.000 0.973 146 N HN -0.023 8.681 8.380 0.046 -0.296 0.433 147 A N -0.791 122.033 122.820 0.006 0.000 1.970 147 A HA 0.004 nan 4.320 nan 0.000 0.216 147 A C 1.575 179.175 177.584 0.027 0.000 1.170 147 A CA 2.668 54.711 52.037 0.011 0.000 0.645 147 A CB -0.619 18.399 19.000 0.030 0.000 0.816 147 A HN 0.238 8.698 8.150 0.026 -0.295 0.447 148 c N -0.605 118.029 118.600 0.057 0.000 2.432 148 c HA -0.270 nan 4.570 nan 0.000 0.277 148 c C 1.698 175.795 174.090 0.011 0.000 1.249 148 c CA 2.999 59.389 56.329 0.101 0.000 1.725 148 c CB -1.347 41.231 42.510 0.114 0.000 2.028 148 c HN -0.696 7.687 8.230 0.060 -0.117 0.477 149 I N -0.082 120.430 120.570 -0.096 0.000 2.208 149 I HA -0.545 nan 4.170 nan 0.000 0.245 149 I C 2.215 178.186 176.117 -0.243 0.000 1.097 149 I CA 2.883 64.043 61.300 -0.234 0.000 1.363 149 I CB -1.453 36.306 38.000 -0.402 0.000 1.051 149 I HN 0.225 8.389 8.210 -0.077 0.000 0.413 150 E N -0.762 119.338 120.200 -0.167 0.000 2.204 150 E HA -0.348 nan 4.350 nan 0.000 0.195 150 E C 2.660 179.202 176.600 -0.096 0.000 0.990 150 E CA 3.314 59.630 56.400 -0.139 0.000 0.821 150 E CB -0.227 29.423 29.700 -0.083 0.000 0.750 150 E HN -0.051 8.155 8.360 -0.129 0.076 0.477 151 S N -0.504 115.179 115.700 -0.028 0.000 2.414 151 S HA -0.198 nan 4.470 nan 0.000 0.227 151 S C 2.266 176.873 174.600 0.012 0.000 1.022 151 S CA 3.303 61.522 58.200 0.032 0.000 0.958 151 S CB -0.089 63.185 63.200 0.124 0.000 0.797 151 S HN -0.251 7.916 8.310 -0.006 0.139 0.493 152 I N 3.053 123.578 120.570 -0.075 0.000 2.252 152 I HA -0.445 nan 4.170 nan 0.000 0.245 152 I C 2.564 178.504 176.117 -0.294 0.000 1.102 152 I CA 3.720 64.888 61.300 -0.220 0.000 1.385 152 I CB -0.316 37.435 38.000 -0.414 0.000 1.064 152 I HN -0.328 7.837 8.210 -0.074 0.000 0.414 153 R N -0.675 119.565 120.500 -0.433 0.000 2.073 153 R HA -0.342 nan 4.340 nan 0.000 0.234 153 R C 1.115 177.313 176.300 -0.170 0.000 1.134 153 R CA 3.219 59.001 56.100 -0.529 0.000 0.952 153 R CB 0.030 30.005 30.300 -0.542 0.000 0.850 153 R HN 0.039 8.072 8.270 -0.396 0.000 0.433 154 N N -4.080 114.561 118.700 -0.099 0.000 2.313 154 N HA -0.004 nan 4.740 nan 0.000 0.207 154 N C 0.167 175.675 175.510 -0.004 0.000 1.141 154 N CA -0.856 52.179 53.050 -0.026 0.000 0.830 154 N CB -0.171 38.306 38.487 -0.016 0.000 1.008 154 N HN -0.390 7.922 8.380 -0.113 0.000 0.481 155 G N -1.907 106.888 108.800 -0.009 0.000 2.160 155 G HA2 -0.368 nan 3.960 nan 0.000 0.251 155 G HA3 -0.368 nan 3.960 nan 0.000 0.251 155 G C 0.189 175.115 174.900 0.043 0.000 1.008 155 G CA 0.672 45.783 45.100 0.018 0.000 0.724 155 G HN -0.342 7.716 8.290 -0.046 0.205 0.514 156 T N -4.943 109.644 114.554 0.056 0.000 3.129 156 T HA 0.087 nan 4.350 nan 0.000 0.267 156 T C -0.371 174.395 174.700 0.109 0.000 1.018 156 T CA -1.572 60.566 62.100 0.062 0.000 0.903 156 T CB 0.628 69.516 68.868 0.035 0.000 1.067 156 T HN -0.279 8.110 8.240 0.044 -0.122 0.549 157 Y N 3.294 123.599 120.300 0.008 0.000 2.632 157 Y HA -0.177 nan 4.550 nan 0.000 0.329 157 Y C -1.171 174.781 175.900 0.088 0.000 1.174 157 Y CA 0.877 59.007 58.100 0.049 0.000 1.469 157 Y CB 0.868 39.337 38.460 0.016 0.000 1.242 157 Y HN -0.698 7.798 8.280 0.219 -0.085 0.540 158 D N 7.170 127.388 120.400 -0.303 0.000 2.373 158 D HA 0.041 nan 4.640 nan 0.000 0.227 158 D C -0.054 175.983 176.300 -0.439 0.000 1.091 158 D CA -1.679 52.177 54.000 -0.240 0.000 0.840 158 D CB 0.902 41.578 40.800 -0.208 0.000 1.060 158 D HN -0.062 8.104 8.370 -0.339 0.000 0.502 159 H N 3.342 122.270 119.070 -0.235 0.000 2.423 159 H HA -0.184 nan 4.556 nan 0.000 0.297 159 H C 1.756 177.051 175.328 -0.055 0.000 1.075 159 H CA 2.361 58.372 56.048 -0.061 0.000 1.342 159 H CB 0.192 30.057 29.762 0.171 0.000 1.395 159 H HN 0.433 8.872 8.280 0.264 0.000 0.530 160 D N 0.285 120.150 120.400 -0.892 0.000 2.123 160 D HA -0.269 nan 4.640 nan 0.000 0.196 160 D C 2.789 178.835 176.300 -0.423 0.000 0.992 160 D CA 3.605 57.182 54.000 -0.705 0.000 0.833 160 D CB -0.178 40.350 40.800 -0.453 0.000 0.954 160 D HN -0.204 7.980 8.370 -0.652 -0.205 0.455 161 V N -0.718 118.921 119.914 -0.460 0.000 2.317 161 V HA -0.282 nan 4.120 nan 0.000 0.251 161 V C 1.489 177.212 176.094 -0.618 0.000 1.065 161 V CA 3.100 65.039 62.300 -0.601 0.000 1.049 161 V CB -0.248 31.026 31.823 -0.914 0.000 0.651 161 V HN -0.308 7.615 8.190 -0.444 0.000 0.450 162 Y N -6.909 113.167 120.300 -0.374 0.000 2.458 162 Y HA 0.208 nan 4.550 nan 0.000 0.256 162 Y C 0.762 176.539 175.900 -0.204 0.000 1.159 162 Y CA -0.848 57.016 58.100 -0.394 0.000 1.261 162 Y CB -0.304 37.620 38.460 -0.892 0.000 1.119 162 Y HN -0.516 7.488 8.280 -0.251 0.126 0.524 163 R N 1.858 122.332 120.500 -0.043 0.000 2.096 163 R HA -0.481 nan 4.340 nan 0.000 0.240 163 R C 1.386 177.706 176.300 0.034 0.000 1.139 163 R CA 4.530 60.639 56.100 0.017 0.000 0.952 163 R CB -0.466 29.803 30.300 -0.051 0.000 0.854 163 R HN -0.418 7.573 8.270 -0.158 0.184 0.436 164 D N -2.203 118.196 120.400 -0.002 0.000 2.144 164 D HA -0.264 nan 4.640 nan 0.000 0.200 164 D C 2.267 178.591 176.300 0.040 0.000 0.978 164 D CA 3.941 57.951 54.000 0.016 0.000 0.833 164 D CB -0.549 40.246 40.800 -0.008 0.000 0.961 164 D HN 0.208 8.551 8.370 -0.044 0.000 0.470 165 E N 0.467 120.697 120.200 0.049 0.000 2.047 165 E HA -0.278 nan 4.350 nan 0.000 0.191 165 E C 1.711 178.384 176.600 0.122 0.000 0.987 165 E CA 2.649 59.102 56.400 0.088 0.000 0.799 165 E CB -0.020 29.752 29.700 0.119 0.000 0.752 165 E HN -0.646 7.731 8.360 0.028 0.000 0.449 166 A N 0.118 123.031 122.820 0.155 0.000 1.845 166 A HA -0.265 nan 4.320 nan 0.000 0.215 166 A C 2.231 179.829 177.584 0.024 0.000 1.195 166 A CA 3.203 55.343 52.037 0.172 0.000 0.616 166 A CB -0.715 18.430 19.000 0.243 0.000 0.832 166 A HN 0.104 8.340 8.150 0.144 0.000 0.443 167 L N -2.365 118.865 121.223 0.011 0.000 2.081 167 L HA -0.565 nan 4.340 nan 0.000 0.212 167 L C 2.219 179.084 176.870 -0.008 0.000 1.080 167 L CA 3.134 57.957 54.840 -0.029 0.000 0.754 167 L CB -0.798 41.317 42.059 0.094 0.000 0.893 167 L HN 0.295 8.560 8.230 0.059 0.000 0.433 168 N N -1.081 117.640 118.700 0.035 0.000 2.039 168 N HA -0.384 nan 4.740 nan 0.000 0.193 168 N C 2.038 177.562 175.510 0.024 0.000 1.044 168 N CA 3.531 56.611 53.050 0.049 0.000 0.847 168 N CB -0.129 38.391 38.487 0.054 0.000 1.030 168 N HN -0.347 8.063 8.380 0.049 0.000 0.422 169 N N -1.196 117.519 118.700 0.026 0.000 2.223 169 N HA -0.345 nan 4.740 nan 0.000 0.185 169 N C 1.085 176.558 175.510 -0.062 0.000 1.016 169 N CA 2.822 55.905 53.050 0.054 0.000 0.863 169 N CB 0.142 38.726 38.487 0.163 0.000 0.983 169 N HN -0.351 8.055 8.380 0.045 0.000 0.429 170 R N -1.731 118.576 120.500 -0.322 0.000 2.066 170 R HA -0.117 nan 4.340 nan 0.000 0.224 170 R C 0.920 176.888 176.300 -0.554 0.000 1.122 170 R CA 2.585 58.186 56.100 -0.832 0.000 0.974 170 R CB 0.685 30.277 30.300 -1.180 0.000 0.871 170 R HN -0.316 7.673 8.270 -0.247 0.132 0.435 171 F N -3.923 115.944 119.950 -0.138 0.000 2.324 171 F HA 0.085 nan 4.527 nan 0.000 0.260 171 F C 1.585 177.361 175.800 -0.039 0.000 1.073 171 F CA 1.014 58.967 58.000 -0.080 0.000 1.073 171 F CB 0.280 39.248 39.000 -0.054 0.000 1.114 171 F HN -0.356 7.808 8.300 -0.226 0.000 0.588 172 Q N -1.712 118.207 119.800 0.199 0.000 2.032 172 Q HA -0.473 nan 4.340 nan 0.000 0.217 172 Q C 2.195 178.244 176.000 0.082 0.000 1.058 172 Q CA 2.689 58.559 55.803 0.112 0.000 0.911 172 Q CB 0.153 28.941 28.738 0.084 0.000 1.045 172 Q HN -0.225 8.181 8.270 0.227 0.000 0.429 173 I N -3.414 117.196 120.570 0.067 0.000 4.767 173 I HA -0.458 nan 4.170 nan 0.000 0.055 173 I C 0.933 177.080 176.117 0.049 0.000 0.634 173 I CA 2.675 64.009 61.300 0.057 0.000 0.506 173 I CB -0.640 37.397 38.000 0.060 0.000 0.498 173 I HN -0.123 8.125 8.210 0.064 0.000 0.163 174 K N -2.024 118.405 120.400 0.049 0.000 2.646 174 K HA 0.235 nan 4.320 nan 0.000 0.177 174 K C -0.075 176.546 176.600 0.035 0.000 1.222 174 K CA -0.164 56.146 56.287 0.038 0.000 1.138 174 K CB 1.337 33.858 32.500 0.034 0.000 0.955 174 K HN 0.170 8.454 8.250 0.056 0.000 0.524 175 G N 0.000 108.824 108.800 0.041 0.000 5.446 175 G HA2 0.000 nan 3.960 nan 0.000 0.244 175 G HA3 0.000 nan 3.960 nan 0.000 0.244 175 G CA 0.000 45.119 45.100 0.032 0.000 0.502 175 G HN 0.000 8.320 8.290 0.050 0.000 0.925