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 1x28_1_B DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VAXVL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.215 176.300 -0.142 0.000 1.140 5 M CA 0.000 55.130 55.300 -0.283 0.000 0.988 5 M CB 0.000 32.263 32.600 -0.562 0.000 1.302 6 F N 0.617 120.567 119.950 -0.001 0.000 2.720 6 F HA 0.376 4.903 4.527 -0.000 0.000 0.301 6 F C 1.520 177.319 175.800 -0.002 0.000 1.103 6 F CA 0.335 58.334 58.000 -0.002 0.000 1.291 6 F CB -0.469 38.530 39.000 -0.001 0.000 1.086 6 F HN 0.090 nan 8.300 nan 0.000 0.592 7 E N 0.564 120.851 120.200 0.145 0.000 2.130 7 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 7 E C 1.161 177.801 176.600 0.067 0.000 0.998 7 E CA 1.571 58.023 56.400 0.085 0.000 0.806 7 E CB -0.529 29.196 29.700 0.043 0.000 0.738 7 E HN 0.261 nan 8.360 nan 0.000 0.459 8 N N -0.345 118.394 118.700 0.065 0.000 2.280 8 N HA 0.161 4.901 4.740 -0.000 0.000 0.192 8 N C -0.436 175.103 175.510 0.049 0.000 1.109 8 N CA -0.054 53.024 53.050 0.046 0.000 0.855 8 N CB 0.299 38.806 38.487 0.033 0.000 0.974 8 N HN 0.114 nan 8.380 nan 0.000 0.482 9 I N 0.895 121.507 120.570 0.070 0.000 2.668 9 I HA -0.070 4.099 4.170 -0.000 0.000 0.285 9 I C 0.922 177.054 176.117 0.025 0.000 1.168 9 I CA 0.262 61.593 61.300 0.051 0.000 1.424 9 I CB 0.475 38.508 38.000 0.054 0.000 1.377 9 I HN 0.052 nan 8.210 nan 0.000 0.560 10 T N 6.012 120.575 114.554 0.015 0.000 2.817 10 T HA 0.529 4.879 4.350 -0.000 0.000 0.293 10 T C 0.296 174.995 174.700 -0.003 0.000 0.964 10 T CA -0.781 61.323 62.100 0.006 0.000 1.085 10 T CB 0.805 69.675 68.868 0.004 0.000 0.921 10 T HN 0.681 nan 8.240 nan 0.000 0.502 11 A N 3.597 126.413 122.820 -0.006 0.000 2.547 11 A HA 0.561 4.881 4.320 -0.000 0.000 0.233 11 A C 0.830 178.405 177.584 -0.015 0.000 1.067 11 A CA 0.022 52.051 52.037 -0.013 0.000 0.763 11 A CB -0.510 18.484 19.000 -0.011 0.000 1.007 11 A HN 1.402 nan 8.150 nan 0.000 0.506 12 A N 2.561 125.369 122.820 -0.020 0.000 2.306 12 A HA 0.697 5.017 4.320 -0.000 0.000 0.314 12 A C -1.619 175.953 177.584 -0.020 0.000 1.164 12 A CA -1.333 50.691 52.037 -0.022 0.000 0.822 12 A CB -0.218 18.765 19.000 -0.029 0.000 1.130 12 A HN 0.835 nan 8.150 nan 0.000 0.496 13 P HA 0.458 nan 4.420 nan 0.000 0.274 13 P C -0.022 177.266 177.300 -0.019 0.000 1.231 13 P CA -0.147 62.943 63.100 -0.017 0.000 0.790 13 P CB 0.930 32.620 31.700 -0.018 0.000 0.951 14 A N 1.527 124.340 122.820 -0.011 0.000 2.466 14 A HA 0.055 4.375 4.320 -0.000 0.000 0.238 14 A C 0.284 177.856 177.584 -0.019 0.000 1.074 14 A CA -0.117 51.914 52.037 -0.009 0.000 0.774 14 A CB -0.490 18.513 19.000 0.006 0.000 1.015 14 A HN 0.691 nan 8.150 nan 0.000 0.498 15 D N 1.189 121.576 120.400 -0.023 0.000 2.390 15 D HA 0.264 4.904 4.640 -0.000 0.000 0.249 15 D C -1.102 175.182 176.300 -0.027 0.000 1.144 15 D CA -1.186 52.790 54.000 -0.041 0.000 0.880 15 D CB 0.853 41.627 40.800 -0.044 0.000 1.182 15 D HN 0.228 nan 8.370 nan 0.000 0.451 16 P HA -0.171 nan 4.420 nan 0.000 0.219 16 P C 0.886 178.186 177.300 -0.001 0.000 1.146 16 P CA 0.978 64.065 63.100 -0.022 0.000 0.808 16 P CB 0.325 31.999 31.700 -0.043 0.000 0.779 17 I N -1.222 119.344 120.570 -0.008 0.000 2.900 17 I HA 0.011 4.181 4.170 -0.000 0.000 0.251 17 I C 2.694 178.832 176.117 0.036 0.000 1.102 17 I CA 0.431 61.747 61.300 0.027 0.000 1.457 17 I CB -1.465 36.568 38.000 0.056 0.000 1.285 17 I HN -0.126 nan 8.210 nan 0.000 0.459 18 L N 1.062 122.301 121.223 0.026 0.000 2.083 18 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 18 L C 2.677 179.563 176.870 0.026 0.000 1.083 18 L CA 1.548 56.403 54.840 0.026 0.000 0.752 18 L CB -1.229 40.842 42.059 0.019 0.000 0.899 18 L HN 0.321 nan 8.230 nan 0.000 0.433 19 G N 0.551 109.365 108.800 0.024 0.000 2.476 19 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 19 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 19 G C 1.514 176.452 174.900 0.064 0.000 1.164 19 G CA 0.733 45.854 45.100 0.035 0.000 0.768 19 G HN 0.133 nan 8.290 nan 0.000 0.560 20 L N 1.486 122.759 121.223 0.084 0.000 2.051 20 L HA -0.122 4.218 4.340 -0.000 0.000 0.214 20 L C 3.328 180.256 176.870 0.097 0.000 1.076 20 L CA 1.948 56.873 54.840 0.142 0.000 0.758 20 L CB -0.962 41.187 42.059 0.150 0.000 0.890 20 L HN 0.316 nan 8.230 nan 0.000 0.433 21 A N -0.979 121.868 122.820 0.045 0.000 1.940 21 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 21 A C 1.995 179.612 177.584 0.054 0.000 1.176 21 A CA 2.002 54.054 52.037 0.027 0.000 0.631 21 A CB -0.602 18.401 19.000 0.005 0.000 0.814 21 A HN 0.484 nan 8.150 nan 0.000 0.446 22 D N -0.230 120.196 120.400 0.043 0.000 2.183 22 D HA -0.048 4.592 4.640 -0.000 0.000 0.203 22 D C 1.945 178.262 176.300 0.028 0.000 0.969 22 D CA 0.733 54.751 54.000 0.030 0.000 0.842 22 D CB -0.234 40.581 40.800 0.025 0.000 0.957 22 D HN 0.448 nan 8.370 nan 0.000 0.484 23 L N -0.164 121.096 121.223 0.062 0.000 2.072 23 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 23 L C 2.346 179.199 176.870 -0.029 0.000 1.079 23 L CA 0.610 55.505 54.840 0.091 0.000 0.752 23 L CB -0.261 41.945 42.059 0.246 0.000 0.906 23 L HN -0.048 nan 8.230 nan 0.000 0.436 24 F N 1.144 120.871 119.950 -0.371 0.000 2.102 24 F HA -0.295 4.232 4.527 -0.000 0.000 0.298 24 F C 2.892 178.506 175.800 -0.311 0.000 1.105 24 F CA 2.178 59.761 58.000 -0.696 0.000 1.239 24 F CB -0.574 37.988 39.000 -0.729 0.000 0.991 24 F HN -0.070 nan 8.300 nan 0.000 0.474 25 R N 0.530 120.960 120.500 -0.118 0.000 2.105 25 R HA -0.008 4.332 4.340 -0.000 0.000 0.239 25 R C 2.295 178.487 176.300 -0.180 0.000 1.135 25 R CA 1.734 57.754 56.100 -0.134 0.000 0.967 25 R CB -2.085 28.203 30.300 -0.019 0.000 0.861 25 R HN 0.529 nan 8.270 nan 0.000 0.442 26 A N 0.767 123.508 122.820 -0.133 0.000 1.930 26 A HA 0.020 4.340 4.320 -0.000 0.000 0.215 26 A C 1.157 178.670 177.584 -0.118 0.000 1.176 26 A CA 0.471 52.451 52.037 -0.095 0.000 0.632 26 A CB -0.256 18.720 19.000 -0.040 0.000 0.819 26 A HN 0.598 nan 8.150 nan 0.000 0.445 27 D N 0.650 120.959 120.400 -0.153 0.000 2.586 27 D HA -0.004 4.636 4.640 -0.000 0.000 0.234 27 D C 0.577 176.784 176.300 -0.155 0.000 1.132 27 D CA 0.651 54.581 54.000 -0.117 0.000 0.860 27 D CB 0.693 41.432 40.800 -0.102 0.000 1.159 27 D HN 0.539 nan 8.370 nan 0.000 0.490 28 E N 2.313 122.461 120.200 -0.087 0.000 2.447 28 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 28 E C 0.295 176.854 176.600 -0.069 0.000 1.028 28 E CA -0.095 56.257 56.400 -0.081 0.000 0.876 28 E CB -0.068 29.601 29.700 -0.052 0.000 0.885 28 E HN 0.203 nan 8.360 nan 0.000 0.500 29 R N 2.823 123.291 120.500 -0.053 0.000 2.502 29 R HA 0.038 4.378 4.340 -0.000 0.000 0.292 29 R C -1.340 174.934 176.300 -0.043 0.000 0.998 29 R CA -0.871 55.211 56.100 -0.030 0.000 1.056 29 R CB -0.036 30.266 30.300 0.004 0.000 0.939 29 R HN 0.152 nan 8.270 nan 0.000 0.411 30 P HA -0.065 nan 4.420 nan 0.000 0.223 30 P C 0.503 177.803 177.300 -0.000 0.000 1.151 30 P CA 1.080 64.166 63.100 -0.023 0.000 0.787 30 P CB 0.379 32.071 31.700 -0.012 0.000 0.788 31 G N 0.199 109.013 108.800 0.023 0.000 3.383 31 G HA2 0.037 3.997 3.960 -0.000 0.000 0.251 31 G HA3 0.037 3.997 3.960 -0.000 0.000 0.251 31 G C 0.314 175.274 174.900 0.100 0.000 1.203 31 G CA -0.342 44.792 45.100 0.057 0.000 0.852 31 G HN 0.232 nan 8.290 nan 0.000 0.531 32 K N 0.243 120.695 120.400 0.086 0.000 2.469 32 K HA 0.253 4.573 4.320 -0.000 0.000 0.274 32 K C -0.404 176.408 176.600 0.352 0.000 0.983 32 K CA 0.563 56.968 56.287 0.196 0.000 0.974 32 K CB 1.078 33.536 32.500 -0.070 0.000 0.913 32 K HN 0.090 nan 8.250 nan 0.000 0.493 33 I N 1.994 122.847 120.570 0.472 0.000 2.447 33 I HA 0.108 4.278 4.170 -0.000 0.000 0.287 33 I C -0.463 175.794 176.117 0.234 0.000 1.023 33 I CA -0.514 60.969 61.300 0.305 0.000 1.083 33 I CB 1.744 39.841 38.000 0.162 0.000 1.245 33 I HN 0.632 nan 8.210 nan 0.000 0.434 34 N N 6.581 125.159 118.700 -0.203 0.000 2.439 34 N HA 0.303 5.043 4.740 -0.000 0.000 0.249 34 N C -0.491 174.845 175.510 -0.290 0.000 1.003 34 N CA -0.457 52.196 53.050 -0.661 0.000 0.942 34 N CB 0.871 38.435 38.487 -1.538 0.000 1.115 34 N HN 0.451 nan 8.380 nan 0.000 0.505 35 L N 3.921 125.069 121.223 -0.125 0.000 3.168 35 L HA 0.366 4.706 4.340 -0.000 0.000 0.277 35 L C 1.302 178.171 176.870 -0.001 0.000 1.245 35 L CA 0.011 54.810 54.840 -0.068 0.000 1.035 35 L CB 0.461 42.494 42.059 -0.043 0.000 1.399 35 L HN 0.687 nan 8.230 nan 0.000 0.580 36 G N -0.456 108.328 108.800 -0.027 0.000 2.632 36 G HA2 0.098 4.058 3.960 -0.000 0.000 0.220 36 G HA3 0.098 4.058 3.960 -0.000 0.000 0.220 36 G C 0.530 175.474 174.900 0.073 0.000 1.439 36 G CA -0.174 44.946 45.100 0.033 0.000 0.934 36 G HN 0.060 nan 8.290 nan 0.000 0.536 37 I N 2.166 122.752 120.570 0.025 0.000 2.880 37 I HA 0.212 4.382 4.170 -0.000 0.000 0.296 37 I C 1.476 177.675 176.117 0.137 0.000 1.220 37 I CA 0.253 61.596 61.300 0.071 0.000 1.435 37 I CB 1.022 39.017 38.000 -0.009 0.000 1.339 37 I HN 0.160 nan 8.210 nan 0.000 0.583 38 G N 6.431 115.400 108.800 0.282 0.000 3.008 38 G HA2 0.389 4.349 3.960 -0.000 0.000 0.272 38 G HA3 0.389 4.349 3.960 -0.000 0.000 0.272 38 G C -0.362 174.589 174.900 0.085 0.000 0.764 38 G CA -0.120 45.155 45.100 0.292 0.000 2.029 38 G HN 0.354 nan 8.290 nan 0.000 0.587 39 V N 1.705 121.591 119.914 -0.046 0.000 2.628 39 V HA 0.362 4.482 4.120 -0.000 0.000 0.306 39 V C -0.425 175.657 176.094 -0.020 0.000 1.045 39 V CA -1.209 60.997 62.300 -0.158 0.000 0.905 39 V CB 1.775 33.343 31.823 -0.426 0.000 0.997 39 V HN 0.572 nan 8.190 nan 0.000 0.436 40 Y N 4.993 125.324 120.300 0.051 0.000 2.314 40 Y HA 0.478 5.028 4.550 -0.000 0.000 0.334 40 Y C 0.189 176.104 175.900 0.024 0.000 1.266 40 Y CA -0.058 58.080 58.100 0.063 0.000 1.391 40 Y CB 0.654 39.229 38.460 0.192 0.000 1.306 40 Y HN 0.526 nan 8.280 nan 0.000 0.558 41 K N 3.767 123.569 120.400 -0.997 0.000 2.523 41 K HA 0.218 4.538 4.320 -0.000 0.000 0.257 41 K C -1.536 174.497 176.600 -0.945 0.000 0.932 41 K CA -1.038 54.849 56.287 -0.667 0.000 0.812 41 K CB 1.761 34.042 32.500 -0.365 0.000 1.326 41 K HN 0.712 nan 8.250 nan 0.000 0.433 42 D N 0.765 120.925 120.400 -0.400 0.000 2.433 42 D HA 0.028 4.668 4.640 -0.000 0.000 0.255 42 D C 0.747 176.971 176.300 -0.127 0.000 1.226 42 D CA -0.313 53.588 54.000 -0.165 0.000 1.015 42 D CB 0.620 41.446 40.800 0.043 0.000 1.091 42 D HN 0.347 nan 8.370 nan 0.000 0.527 43 E N -0.844 119.328 120.200 -0.046 0.000 2.333 43 E HA -0.164 4.186 4.350 -0.000 0.000 0.200 43 E C 1.512 178.091 176.600 -0.036 0.000 1.010 43 E CA 1.770 58.148 56.400 -0.037 0.000 0.841 43 E CB -0.549 29.148 29.700 -0.006 0.000 0.757 43 E HN 0.751 nan 8.360 nan 0.000 0.508 44 T N -3.652 110.883 114.554 -0.031 0.000 3.086 44 T HA 0.341 4.691 4.350 -0.000 0.000 0.250 44 T C 1.355 176.036 174.700 -0.031 0.000 1.074 44 T CA 0.552 62.639 62.100 -0.021 0.000 0.988 44 T CB 0.493 69.358 68.868 -0.004 0.000 0.988 44 T HN 0.201 nan 8.240 nan 0.000 0.530 45 G N 0.134 108.897 108.800 -0.062 0.000 2.143 45 G HA2 0.073 4.033 3.960 -0.000 0.000 0.249 45 G HA3 0.073 4.033 3.960 -0.000 0.000 0.249 45 G C 0.093 174.958 174.900 -0.059 0.000 0.981 45 G CA 0.263 45.322 45.100 -0.068 0.000 0.665 45 G HN 1.070 nan 8.290 nan 0.000 0.528 46 K N -0.334 120.036 120.400 -0.050 0.000 2.221 46 K HA 0.888 5.208 4.320 -0.000 0.000 0.243 46 K C 0.115 176.704 176.600 -0.018 0.000 0.968 46 K CA 0.190 56.464 56.287 -0.023 0.000 0.846 46 K CB 1.157 33.662 32.500 0.008 0.000 1.141 46 K HN 0.574 nan 8.250 nan 0.000 0.434 47 T N 4.486 119.047 114.554 0.012 0.000 3.145 47 T HA 0.346 4.696 4.350 -0.000 0.000 0.348 47 T C -1.857 172.926 174.700 0.138 0.000 1.299 47 T CA -0.969 61.177 62.100 0.077 0.000 1.037 47 T CB 0.274 69.156 68.868 0.023 0.000 1.122 47 T HN 0.678 nan 8.240 nan 0.000 0.600 48 P HA 0.342 nan 4.420 nan 0.000 0.274 48 P C -0.629 176.780 177.300 0.181 0.000 1.256 48 P CA -0.474 62.718 63.100 0.153 0.000 0.795 48 P CB 0.869 32.654 31.700 0.141 0.000 1.038 49 V N 1.974 121.974 119.914 0.143 0.000 2.407 49 V HA 0.140 4.260 4.120 -0.000 0.000 0.278 49 V C 0.971 177.140 176.094 0.126 0.000 1.037 49 V CA -0.725 61.661 62.300 0.142 0.000 0.900 49 V CB 0.679 32.573 31.823 0.118 0.000 0.983 49 V HN 0.382 nan 8.190 nan 0.000 0.459 50 L N 3.831 125.132 121.223 0.130 0.000 2.499 50 L HA 0.045 4.385 4.340 -0.000 0.000 0.281 50 L C 1.794 178.723 176.870 0.097 0.000 1.234 50 L CA 0.199 55.104 54.840 0.108 0.000 0.839 50 L CB 0.062 42.196 42.059 0.125 0.000 1.104 50 L HN 0.712 nan 8.230 nan 0.000 0.500 51 T N -0.288 114.312 114.554 0.076 0.000 2.867 51 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 51 T C 1.928 176.672 174.700 0.072 0.000 1.057 51 T CA 1.551 63.690 62.100 0.066 0.000 1.136 51 T CB -0.025 68.871 68.868 0.047 0.000 0.874 51 T HN 0.874 nan 8.240 nan 0.000 0.466 52 S N 1.383 117.138 115.700 0.091 0.000 2.356 52 S HA -0.095 4.375 4.470 -0.000 0.000 0.223 52 S C 2.173 176.829 174.600 0.093 0.000 1.032 52 S CA 0.998 59.260 58.200 0.103 0.000 1.005 52 S CB -1.007 62.295 63.200 0.170 0.000 0.867 52 S HN 0.295 nan 8.310 nan 0.000 0.449 53 V N 2.626 122.609 119.914 0.116 0.000 2.255 53 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 53 V C 2.877 179.012 176.094 0.069 0.000 1.051 53 V CA 1.940 64.295 62.300 0.092 0.000 1.018 53 V CB -0.680 31.216 31.823 0.122 0.000 0.641 53 V HN 0.401 nan 8.190 nan 0.000 0.445 54 K N 0.177 120.624 120.400 0.079 0.000 2.113 54 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 54 K C 2.157 178.798 176.600 0.067 0.000 1.047 54 K CA 1.523 57.854 56.287 0.074 0.000 0.928 54 K CB -0.356 32.186 32.500 0.070 0.000 0.716 54 K HN 0.466 nan 8.250 nan 0.000 0.446 55 K N 0.107 120.544 120.400 0.060 0.000 2.025 55 K HA -0.055 4.265 4.320 -0.000 0.000 0.207 55 K C 2.185 178.825 176.600 0.068 0.000 1.049 55 K CA 1.133 57.455 56.287 0.058 0.000 0.933 55 K CB -0.132 32.394 32.500 0.043 0.000 0.714 55 K HN 0.095 nan 8.250 nan 0.000 0.438 56 A N 1.680 124.527 122.820 0.044 0.000 1.933 56 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 56 A C 1.856 179.485 177.584 0.074 0.000 1.175 56 A CA 1.564 53.623 52.037 0.037 0.000 0.628 56 A CB -0.401 18.580 19.000 -0.032 0.000 0.814 56 A HN 0.311 nan 8.150 nan 0.000 0.444 57 E N -0.879 119.354 120.200 0.055 0.000 2.110 57 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 57 E C 2.215 178.877 176.600 0.104 0.000 0.988 57 E CA 1.285 57.736 56.400 0.086 0.000 0.804 57 E CB -0.143 29.637 29.700 0.134 0.000 0.745 57 E HN 0.830 nan 8.360 nan 0.000 0.458 58 Q N 0.072 119.931 119.800 0.097 0.000 2.084 58 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 58 Q C 2.018 178.074 176.000 0.094 0.000 0.978 58 Q CA 1.430 57.283 55.803 0.084 0.000 0.844 58 Q CB -0.198 28.588 28.738 0.079 0.000 0.898 58 Q HN 0.343 nan 8.270 nan 0.000 0.426 59 Y N 0.672 120.972 120.300 0.001 0.000 2.145 59 Y HA -0.232 4.318 4.550 0.000 0.000 0.286 59 Y C 1.712 177.607 175.900 -0.007 0.000 1.145 59 Y CA 1.743 59.839 58.100 -0.006 0.000 1.148 59 Y CB -0.245 38.205 38.460 -0.017 0.000 0.981 59 Y HN 0.113 nan 8.280 nan 0.000 0.507 60 L N -0.577 120.674 121.223 0.047 0.000 2.012 60 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 60 L C 2.490 179.318 176.870 -0.070 0.000 1.073 60 L CA 1.451 56.267 54.840 -0.040 0.000 0.748 60 L CB -0.905 41.173 42.059 0.032 0.000 0.891 60 L HN 0.361 nan 8.230 nan 0.000 0.431 61 L N 0.082 121.299 121.223 -0.011 0.000 2.042 61 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 61 L C 2.119 178.950 176.870 -0.065 0.000 1.076 61 L CA 1.863 56.694 54.840 -0.016 0.000 0.749 61 L CB -0.470 41.596 42.059 0.011 0.000 0.893 61 L HN 0.230 nan 8.230 nan 0.000 0.432 62 E N -1.242 118.896 120.200 -0.103 0.000 2.479 62 E HA 0.012 4.362 4.350 -0.000 0.000 0.193 62 E C 0.612 177.094 176.600 -0.198 0.000 1.049 62 E CA 0.401 56.728 56.400 -0.121 0.000 0.870 62 E CB 0.085 29.733 29.700 -0.087 0.000 0.944 62 E HN 0.640 nan 8.360 nan 0.000 0.492 63 N N -0.237 118.289 118.700 -0.290 0.000 2.129 63 N HA 0.036 4.776 4.740 -0.000 0.000 0.222 63 N C -0.074 175.310 175.510 -0.210 0.000 1.303 63 N CA -0.114 52.739 53.050 -0.329 0.000 0.897 63 N CB 0.939 39.015 38.487 -0.686 0.000 1.093 63 N HN -0.006 nan 8.380 nan 0.000 0.501 67 T N 0.437 114.969 114.554 -0.038 0.000 2.853 67 T HA 0.568 4.918 4.350 -0.000 0.000 0.311 67 T C -1.447 173.226 174.700 -0.045 0.000 1.307 67 T CA -0.610 61.466 62.100 -0.040 0.000 1.019 67 T CB 1.817 70.665 68.868 -0.033 0.000 1.264 67 T HN -0.040 nan 8.240 nan 0.000 0.497 68 K N 2.461 122.823 120.400 -0.063 0.000 2.618 68 K HA 0.225 4.545 4.320 -0.000 0.000 0.207 68 K C 0.405 176.932 176.600 -0.121 0.000 1.058 68 K CA -0.291 55.949 56.287 -0.078 0.000 1.086 68 K CB -0.187 32.260 32.500 -0.088 0.000 0.827 68 K HN 0.600 nan 8.250 nan 0.000 0.481 69 N N 0.737 119.381 118.700 -0.093 0.000 2.454 69 N HA -0.049 4.691 4.740 -0.000 0.000 0.254 69 N C -0.524 174.963 175.510 -0.039 0.000 1.228 69 N CA -0.223 52.768 53.050 -0.098 0.000 0.900 69 N CB 0.374 38.847 38.487 -0.023 0.000 1.089 69 N HN -0.072 nan 8.380 nan 0.000 0.449 70 Y N 2.296 122.596 120.300 0.001 0.000 3.073 70 Y HA -0.170 4.380 4.550 -0.000 0.000 0.343 70 Y C 1.119 177.021 175.900 0.003 0.000 1.274 70 Y CA 0.226 58.328 58.100 0.003 0.000 1.554 70 Y CB 0.269 38.731 38.460 0.004 0.000 1.250 70 Y HN 0.566 nan 8.280 nan 0.000 0.622 71 L N 2.055 123.393 121.223 0.191 0.000 2.341 71 L HA 0.224 4.564 4.340 -0.000 0.000 0.214 71 L C 1.015 177.932 176.870 0.078 0.000 1.115 71 L CA 1.431 56.330 54.840 0.098 0.000 0.820 71 L CB -0.824 41.272 42.059 0.061 0.000 0.944 71 L HN 0.927 nan 8.230 nan 0.000 0.452 72 G N -1.202 107.640 108.800 0.071 0.000 3.209 72 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.686 72 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.686 72 G C 0.835 175.749 174.900 0.023 0.000 1.065 72 G CA -0.285 44.834 45.100 0.032 0.000 0.812 72 G HN 0.082 nan 8.290 nan 0.000 0.573 73 I N 0.627 121.185 120.570 -0.020 0.000 2.178 73 I HA -0.364 3.806 4.170 -0.000 0.000 0.243 73 I C 2.390 178.508 176.117 0.001 0.000 1.019 73 I CA 2.525 63.797 61.300 -0.047 0.000 1.294 73 I CB -0.238 37.700 38.000 -0.104 0.000 0.996 73 I HN 0.770 nan 8.210 nan 0.000 0.415 74 D N 0.400 120.830 120.400 0.050 0.000 2.339 74 D HA 0.237 4.877 4.640 -0.000 0.000 0.217 74 D C 1.050 177.432 176.300 0.136 0.000 1.050 74 D CA 0.800 54.883 54.000 0.137 0.000 0.856 74 D CB -0.066 40.908 40.800 0.291 0.000 0.922 74 D HN 0.525 nan 8.370 nan 0.000 0.518 75 G N 0.884 109.732 108.800 0.081 0.000 2.615 75 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 75 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 75 G C -0.388 174.537 174.900 0.042 0.000 1.339 75 G CA -0.378 44.741 45.100 0.032 0.000 0.884 75 G HN 0.304 nan 8.290 nan 0.000 0.559 76 I N 2.429 122.997 120.570 -0.003 0.000 2.581 76 I HA 0.132 4.302 4.170 -0.000 0.000 0.285 76 I C -0.913 175.279 176.117 0.124 0.000 1.129 76 I CA -1.272 60.053 61.300 0.041 0.000 1.397 76 I CB 1.147 39.149 38.000 0.005 0.000 1.399 76 I HN 0.298 nan 8.210 nan 0.000 0.537 77 P HA -0.221 nan 4.420 nan 0.000 0.214 77 P C 1.667 179.019 177.300 0.087 0.000 1.163 77 P CA 1.927 65.081 63.100 0.090 0.000 0.889 77 P CB 0.186 31.921 31.700 0.059 0.000 0.790 78 E N -0.652 119.589 120.200 0.068 0.000 2.070 78 E HA -0.273 4.077 4.350 -0.000 0.000 0.197 78 E C 1.805 178.428 176.600 0.038 0.000 1.004 78 E CA 1.662 58.084 56.400 0.035 0.000 0.805 78 E CB -1.971 27.738 29.700 0.016 0.000 0.744 78 E HN 0.280 nan 8.360 nan 0.000 0.451 79 F N 1.518 121.427 119.950 -0.068 0.000 2.065 79 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 79 F C 2.590 178.371 175.800 -0.033 0.000 1.112 79 F CA 2.538 60.483 58.000 -0.092 0.000 1.212 79 F CB -0.611 38.333 39.000 -0.092 0.000 0.975 79 F HN 0.253 nan 8.300 nan 0.000 0.476 80 G N -0.589 108.317 108.800 0.177 0.000 2.440 80 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.218 80 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.218 80 G C 1.799 176.685 174.900 -0.023 0.000 1.154 80 G CA 1.538 46.690 45.100 0.086 0.000 0.767 80 G HN 0.587 nan 8.290 nan 0.000 0.552 81 R N -0.159 120.329 120.500 -0.019 0.000 2.075 81 R HA -0.012 4.328 4.340 -0.000 0.000 0.232 81 R C 2.554 178.818 176.300 -0.059 0.000 1.126 81 R CA 1.687 57.772 56.100 -0.026 0.000 0.963 81 R CB -1.582 28.709 30.300 -0.015 0.000 0.858 81 R HN 0.433 nan 8.270 nan 0.000 0.435 82 C N 0.168 119.398 119.300 -0.116 0.000 2.425 82 C HA -0.123 4.337 4.460 -0.000 0.000 0.277 82 C C 3.238 178.135 174.990 -0.156 0.000 1.280 82 C CA 1.740 60.669 59.018 -0.148 0.000 1.744 82 C CB -0.635 26.972 27.740 -0.222 0.000 1.989 82 C HN 0.793 nan 8.230 nan 0.000 0.491 83 T N -1.194 113.221 114.554 -0.231 0.000 2.951 83 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 83 T C 1.643 176.283 174.700 -0.100 0.000 1.073 83 T CA 1.312 63.325 62.100 -0.146 0.000 1.134 83 T CB -0.383 68.369 68.868 -0.193 0.000 0.884 83 T HN 0.664 nan 8.240 nan 0.000 0.479 84 Q N 0.463 120.232 119.800 -0.050 0.000 2.167 84 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 84 Q C 2.352 178.399 176.000 0.078 0.000 0.970 84 Q CA 1.453 57.288 55.803 0.052 0.000 0.855 84 Q CB -0.051 28.776 28.738 0.149 0.000 0.911 84 Q HN 0.745 nan 8.270 nan 0.000 0.438 85 E N 0.579 120.799 120.200 0.034 0.000 2.107 85 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 85 E C 2.069 178.680 176.600 0.018 0.000 0.982 85 E CA 0.513 56.941 56.400 0.046 0.000 0.809 85 E CB 0.042 29.757 29.700 0.024 0.000 0.756 85 E HN 0.285 nan 8.360 nan 0.000 0.459 86 L N 0.729 121.947 121.223 -0.007 0.000 2.046 86 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 86 L C 2.383 179.226 176.870 -0.045 0.000 1.077 86 L CA 0.981 55.829 54.840 0.013 0.000 0.747 86 L CB -0.226 41.866 42.059 0.055 0.000 0.896 86 L HN 0.186 nan 8.230 nan 0.000 0.432 87 L N -2.003 119.098 121.223 -0.202 0.000 2.179 87 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 87 L C 1.837 178.328 176.870 -0.632 0.000 1.096 87 L CA 1.021 55.564 54.840 -0.495 0.000 0.779 87 L CB -0.157 41.358 42.059 -0.907 0.000 0.922 87 L HN 0.188 nan 8.230 nan 0.000 0.443 88 F N -0.777 119.146 119.950 -0.044 0.000 2.740 88 F HA 0.451 4.978 4.527 -0.000 0.000 0.304 88 F C 1.111 176.887 175.800 -0.039 0.000 1.098 88 F CA -0.010 57.954 58.000 -0.061 0.000 1.258 88 F CB 0.180 39.143 39.000 -0.062 0.000 1.061 88 F HN -0.021 nan 8.300 nan 0.000 0.598 89 G N 0.462 109.337 108.800 0.126 0.000 2.906 89 G HA2 0.212 4.172 3.960 -0.000 0.000 0.686 89 G HA3 0.212 4.172 3.960 -0.000 0.000 0.686 89 G C 0.589 175.531 174.900 0.070 0.000 1.170 89 G CA -0.208 44.938 45.100 0.078 0.000 0.775 89 G HN 0.342 nan 8.290 nan 0.000 0.630 90 K N 0.215 120.642 120.400 0.044 0.000 2.071 90 K HA -0.022 4.298 4.320 -0.000 0.000 0.217 90 K C 2.624 179.240 176.600 0.027 0.000 1.054 90 K CA 2.797 59.103 56.287 0.031 0.000 0.937 90 K CB -0.757 31.756 32.500 0.021 0.000 0.719 90 K HN 2.351 nan 8.250 nan 0.000 0.454 91 G N 0.373 109.186 108.800 0.022 0.000 3.609 91 G HA2 0.344 4.304 3.960 -0.000 0.000 0.280 91 G HA3 0.344 4.304 3.960 -0.000 0.000 0.280 91 G C 0.376 175.280 174.900 0.007 0.000 1.155 91 G CA 0.654 45.761 45.100 0.011 0.000 0.876 91 G HN 0.638 nan 8.290 nan 0.000 0.535 92 S N -0.160 115.552 115.700 0.020 0.000 2.558 92 S HA 0.302 4.772 4.470 -0.000 0.000 0.287 92 S C 1.806 176.380 174.600 -0.043 0.000 1.321 92 S CA 0.337 58.537 58.200 -0.001 0.000 1.048 92 S CB 0.988 64.205 63.200 0.028 0.000 0.844 92 S HN 0.526 nan 8.310 nan 0.000 0.512 93 A N 4.737 127.518 122.820 -0.064 0.000 2.067 93 A HA 0.154 4.474 4.320 -0.000 0.000 0.217 93 A C 2.038 179.554 177.584 -0.113 0.000 1.156 93 A CA 0.539 52.533 52.037 -0.072 0.000 0.683 93 A CB -0.472 18.492 19.000 -0.060 0.000 0.808 93 A HN 0.858 nan 8.150 nan 0.000 0.455 94 L N -0.503 120.606 121.223 -0.189 0.000 2.141 94 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 94 L C 2.308 179.046 176.870 -0.220 0.000 1.094 94 L CA 1.152 55.823 54.840 -0.282 0.000 0.763 94 L CB -0.493 41.208 42.059 -0.598 0.000 0.908 94 L HN 0.405 nan 8.230 nan 0.000 0.437 95 I N -0.430 120.044 120.570 -0.160 0.000 2.277 95 I HA -0.225 3.945 4.170 -0.000 0.000 0.243 95 I C 2.012 178.091 176.117 -0.063 0.000 1.094 95 I CA 1.242 62.491 61.300 -0.085 0.000 1.393 95 I CB -0.411 37.575 38.000 -0.023 0.000 1.078 95 I HN 0.308 nan 8.210 nan 0.000 0.417 96 N N 1.028 119.695 118.700 -0.055 0.000 2.084 96 N HA -0.197 4.543 4.740 -0.000 0.000 0.190 96 N C 0.827 176.311 175.510 -0.044 0.000 1.030 96 N CA 1.410 54.435 53.050 -0.041 0.000 0.849 96 N CB -0.095 38.372 38.487 -0.034 0.000 1.012 96 N HN 0.248 nan 8.380 nan 0.000 0.423 97 D N 0.463 120.829 120.400 -0.056 0.000 2.371 97 D HA 0.033 4.673 4.640 -0.000 0.000 0.234 97 D C 0.431 176.699 176.300 -0.053 0.000 1.049 97 D CA 0.612 54.582 54.000 -0.050 0.000 0.907 97 D CB -0.444 40.323 40.800 -0.055 0.000 0.891 97 D HN 0.265 nan 8.370 nan 0.000 0.531 98 K N 0.664 121.028 120.400 -0.061 0.000 3.278 98 K HA -0.305 4.015 4.320 -0.000 0.000 0.270 98 K C 0.986 177.543 176.600 -0.073 0.000 0.955 98 K CA 1.157 57.406 56.287 -0.063 0.000 0.723 98 K CB -3.049 29.424 32.500 -0.044 0.000 1.382 98 K HN 0.484 nan 8.250 nan 0.000 0.461 99 R N -0.986 119.456 120.500 -0.097 0.000 2.312 99 R HA 0.403 4.743 4.340 -0.000 0.000 0.205 99 R C 0.966 177.199 176.300 -0.112 0.000 0.904 99 R CA 0.757 56.799 56.100 -0.095 0.000 1.052 99 R CB 0.796 31.031 30.300 -0.108 0.000 1.014 99 R HN 0.812 nan 8.270 nan 0.000 0.503 100 A N 1.258 123.997 122.820 -0.134 0.000 2.350 100 A HA 0.666 4.986 4.320 -0.000 0.000 0.324 100 A C -0.767 176.709 177.584 -0.180 0.000 1.118 100 A CA -0.808 51.154 52.037 -0.124 0.000 0.783 100 A CB 1.116 20.063 19.000 -0.088 0.000 1.236 100 A HN -0.028 nan 8.150 nan 0.000 0.457 101 R N 1.244 121.573 120.500 -0.286 0.000 2.480 101 R HA 0.635 4.975 4.340 -0.000 0.000 0.306 101 R C -1.158 174.827 176.300 -0.525 0.000 0.958 101 R CA -0.395 55.313 56.100 -0.653 0.000 0.861 101 R CB 1.394 30.898 30.300 -1.326 0.000 1.171 101 R HN 0.681 nan 8.270 nan 0.000 0.445 102 T N 1.234 115.588 114.554 -0.334 0.000 2.807 102 T HA 0.689 5.039 4.350 -0.000 0.000 0.279 102 T C -0.611 174.219 174.700 0.217 0.000 0.993 102 T CA -0.569 61.530 62.100 -0.002 0.000 0.970 102 T CB 1.823 70.728 68.868 0.062 0.000 0.950 102 T HN 0.585 nan 8.240 nan 0.000 0.441 103 A N 3.052 126.091 122.820 0.364 0.000 2.318 103 A HA 0.581 4.901 4.320 -0.000 0.000 0.317 103 A C -0.055 177.703 177.584 0.291 0.000 1.159 103 A CA -0.740 51.529 52.037 0.388 0.000 0.799 103 A CB 0.928 20.141 19.000 0.355 0.000 1.194 103 A HN 0.778 nan 8.150 nan 0.000 0.479 104 Q N 1.827 121.772 119.800 0.242 0.000 2.297 104 Q HA 0.387 4.727 4.340 -0.000 0.000 0.267 104 Q C -0.029 176.026 176.000 0.092 0.000 1.006 104 Q CA 0.456 56.330 55.803 0.119 0.000 0.896 104 Q CB 0.460 29.083 28.738 -0.193 0.000 1.186 104 Q HN 0.827 nan 8.270 nan 0.000 0.392 105 T N 0.856 115.456 114.554 0.077 0.000 2.916 105 T HA 0.592 4.942 4.350 -0.000 0.000 0.292 105 T C -2.672 171.969 174.700 -0.098 0.000 1.064 105 T CA -2.100 60.026 62.100 0.043 0.000 1.011 105 T CB 1.809 70.744 68.868 0.112 0.000 1.152 105 T HN 0.475 nan 8.240 nan 0.000 0.510 106 P HA 0.402 nan 4.420 nan 0.000 0.252 106 P C 0.708 177.940 177.300 -0.113 0.000 1.727 106 P CA 0.609 63.563 63.100 -0.244 0.000 1.134 106 P CB -0.478 30.959 31.700 -0.438 0.000 1.876 107 G N 2.735 111.504 108.800 -0.051 0.000 2.795 107 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.664 107 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.664 107 G C 0.877 175.771 174.900 -0.009 0.000 1.381 107 G CA -0.485 44.605 45.100 -0.016 0.000 0.853 107 G HN 0.430 nan 8.290 nan 0.000 0.545 108 G N -1.377 107.400 108.800 -0.039 0.000 2.422 108 G HA2 0.100 4.060 3.960 -0.000 0.000 0.218 108 G HA3 0.100 4.060 3.960 -0.000 0.000 0.218 108 G C 1.841 176.740 174.900 -0.001 0.000 1.140 108 G CA 2.316 47.384 45.100 -0.053 0.000 0.775 108 G HN 1.250 nan 8.290 nan 0.000 0.545 109 T N 1.002 115.572 114.554 0.026 0.000 2.746 109 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 109 T C 2.493 177.234 174.700 0.069 0.000 1.039 109 T CA 1.399 63.570 62.100 0.119 0.000 1.142 109 T CB -0.459 68.520 68.868 0.184 0.000 0.866 109 T HN 0.341 nan 8.240 nan 0.000 0.444 110 G N 1.027 109.848 108.800 0.034 0.000 2.422 110 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.218 110 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.218 110 G C 1.824 176.770 174.900 0.077 0.000 1.146 110 G CA 0.821 45.940 45.100 0.032 0.000 0.769 110 G HN 0.576 nan 8.290 nan 0.000 0.547 111 A N 0.552 123.415 122.820 0.072 0.000 1.933 111 A HA 0.096 4.416 4.320 -0.000 0.000 0.218 111 A C 2.417 180.060 177.584 0.098 0.000 1.175 111 A CA 1.192 53.287 52.037 0.098 0.000 0.628 111 A CB -0.349 18.704 19.000 0.088 0.000 0.814 111 A HN 0.363 nan 8.150 nan 0.000 0.444 112 L N -1.352 119.916 121.223 0.075 0.000 2.056 112 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 112 L C 2.767 179.598 176.870 -0.066 0.000 1.078 112 L CA 1.526 56.383 54.840 0.029 0.000 0.749 112 L CB -0.412 41.667 42.059 0.033 0.000 0.901 112 L HN 0.341 nan 8.230 nan 0.000 0.433 113 R N 0.736 121.216 120.500 -0.033 0.000 2.075 113 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 113 R C 2.197 178.528 176.300 0.050 0.000 1.126 113 R CA 2.054 58.135 56.100 -0.032 0.000 0.963 113 R CB -1.033 29.272 30.300 0.008 0.000 0.858 113 R HN 0.345 nan 8.270 nan 0.000 0.435 114 V N -0.840 119.135 119.914 0.102 0.000 2.343 114 V HA -0.083 4.037 4.120 -0.000 0.000 0.247 114 V C 2.109 178.303 176.094 0.167 0.000 1.051 114 V CA 1.972 64.346 62.300 0.123 0.000 1.036 114 V CB -1.268 30.630 31.823 0.124 0.000 0.654 114 V HN 0.310 nan 8.190 nan 0.000 0.451 115 A N 0.692 123.618 122.820 0.177 0.000 1.902 115 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 115 A C 2.533 180.320 177.584 0.338 0.000 1.181 115 A CA 2.469 54.672 52.037 0.277 0.000 0.623 115 A CB -1.162 17.996 19.000 0.264 0.000 0.818 115 A HN 1.062 nan 8.150 nan 0.000 0.443 116 A N -0.206 122.752 122.820 0.228 0.000 1.930 116 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 116 A C 1.766 179.458 177.584 0.179 0.000 1.175 116 A CA 1.864 54.042 52.037 0.235 0.000 0.627 116 A CB -0.493 18.519 19.000 0.021 0.000 0.815 116 A HN 0.439 nan 8.150 nan 0.000 0.443 117 D N -1.257 119.230 120.400 0.145 0.000 2.149 117 D HA -0.073 4.567 4.640 -0.000 0.000 0.201 117 D C 1.565 177.951 176.300 0.143 0.000 0.972 117 D CA 0.971 55.038 54.000 0.113 0.000 0.835 117 D CB -0.380 40.472 40.800 0.087 0.000 0.966 117 D HN 0.458 nan 8.370 nan 0.000 0.476 118 F N 1.515 121.500 119.950 0.058 0.000 2.075 118 F HA -0.136 4.391 4.527 -0.000 0.000 0.297 118 F C 1.998 177.842 175.800 0.074 0.000 1.113 118 F CA 1.258 59.293 58.000 0.057 0.000 1.218 118 F CB -0.515 38.530 39.000 0.075 0.000 0.984 118 F HN -0.127 nan 8.300 nan 0.000 0.472 119 L N 0.283 121.455 121.223 -0.085 0.000 1.994 119 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 119 L C 2.831 179.624 176.870 -0.128 0.000 1.071 119 L CA 1.405 56.134 54.840 -0.185 0.000 0.745 119 L CB -1.363 40.739 42.059 0.073 0.000 0.892 119 L HN 0.263 nan 8.230 nan 0.000 0.431 120 A N -0.320 122.489 122.820 -0.019 0.000 2.070 120 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 120 A C 2.179 179.740 177.584 -0.038 0.000 1.159 120 A CA 1.524 53.555 52.037 -0.009 0.000 0.656 120 A CB -0.259 18.760 19.000 0.033 0.000 0.800 120 A HN 0.384 nan 8.150 nan 0.000 0.453 121 K N -1.056 119.306 120.400 -0.063 0.000 2.354 121 K HA 0.139 4.459 4.320 -0.000 0.000 0.194 121 K C 0.202 176.746 176.600 -0.093 0.000 1.038 121 K CA 0.267 56.520 56.287 -0.056 0.000 1.052 121 K CB 0.341 32.827 32.500 -0.022 0.000 0.861 121 K HN 0.361 nan 8.250 nan 0.000 0.535 122 N N 0.593 119.180 118.700 -0.188 0.000 2.143 122 N HA 0.012 4.752 4.740 -0.000 0.000 0.229 122 N C -0.059 175.335 175.510 -0.193 0.000 1.294 122 N CA 0.302 53.233 53.050 -0.199 0.000 0.883 122 N CB 1.566 39.887 38.487 -0.277 0.000 1.148 122 N HN 0.156 nan 8.380 nan 0.000 0.511 123 T N -2.599 111.852 114.554 -0.172 0.000 2.669 123 T HA 0.313 4.663 4.350 -0.000 0.000 0.283 123 T C 0.884 175.554 174.700 -0.051 0.000 1.019 123 T CA -0.389 61.647 62.100 -0.106 0.000 1.039 123 T CB 1.281 70.077 68.868 -0.120 0.000 1.374 123 T HN -0.099 nan 8.240 nan 0.000 0.523 124 S N -0.704 114.985 115.700 -0.018 0.000 2.535 124 S HA 0.242 4.712 4.470 -0.000 0.000 0.214 124 S C 0.735 175.342 174.600 0.013 0.000 0.980 124 S CA -0.334 57.867 58.200 0.002 0.000 0.907 124 S CB -0.532 62.678 63.200 0.017 0.000 0.790 124 S HN 0.705 nan 8.310 nan 0.000 0.510 125 V N 2.735 122.658 119.914 0.014 0.000 2.681 125 V HA 0.373 4.493 4.120 -0.000 0.000 0.306 125 V C 0.701 176.805 176.094 0.017 0.000 1.077 125 V CA 1.012 63.329 62.300 0.029 0.000 1.224 125 V CB -0.982 30.861 31.823 0.034 0.000 0.879 125 V HN 0.788 nan 8.190 nan 0.000 0.494 134 W N 3.853 124.975 121.300 -0.296 0.000 2.335 134 W HA 0.748 5.408 4.660 -0.000 0.000 0.307 134 W C -0.272 176.130 176.519 -0.195 0.000 1.117 134 W CA -0.545 56.682 57.345 -0.197 0.000 1.228 134 W CB 1.720 31.059 29.460 -0.202 0.000 1.240 134 W HN 0.364 nan 8.180 nan 0.000 0.468 135 V N 3.906 123.774 119.914 -0.076 0.000 2.540 135 V HA 0.323 4.443 4.120 -0.000 0.000 0.302 135 V C 0.313 176.026 176.094 -0.636 0.000 1.035 135 V CA -1.183 60.965 62.300 -0.253 0.000 0.873 135 V CB 1.670 33.389 31.823 -0.173 0.000 0.992 135 V HN 0.585 nan 8.190 nan 0.000 0.428 136 S N 3.616 118.752 115.700 -0.940 0.000 2.559 136 S HA 0.086 4.556 4.470 -0.000 0.000 0.282 136 S C -0.152 174.157 174.600 -0.485 0.000 1.336 136 S CA -0.067 57.424 58.200 -1.181 0.000 1.037 136 S CB 0.151 62.910 63.200 -0.736 0.000 0.853 136 S HN 0.849 nan 8.310 nan 0.000 0.523 137 N N 2.493 121.013 118.700 -0.301 0.000 2.483 137 N HA 0.531 5.271 4.740 -0.000 0.000 0.267 137 N C -2.473 173.074 175.510 0.062 0.000 0.998 137 N CA -1.839 51.169 53.050 -0.070 0.000 0.918 137 N CB 1.667 40.145 38.487 -0.015 0.000 1.215 137 N HN 0.496 nan 8.380 nan 0.000 0.500 138 P HA 0.363 nan 4.420 nan 0.000 0.293 138 P C -0.791 176.494 177.300 -0.025 0.000 1.304 138 P CA -0.385 62.730 63.100 0.025 0.000 0.767 138 P CB 1.535 33.274 31.700 0.064 0.000 1.247 139 S N -2.166 113.530 115.700 -0.006 0.000 2.703 139 S HA 0.333 4.803 4.470 -0.000 0.000 0.273 139 S C -2.016 172.662 174.600 0.130 0.000 1.178 139 S CA -0.697 57.532 58.200 0.048 0.000 0.838 139 S CB -0.163 63.154 63.200 0.195 0.000 1.178 139 S HN 0.435 nan 8.310 nan 0.000 0.494 140 W N 3.684 124.978 121.300 -0.010 0.000 2.489 140 W HA 0.347 5.007 4.660 -0.000 0.000 0.327 140 W C -2.218 174.219 176.519 -0.136 0.000 1.436 140 W CA -1.345 55.890 57.345 -0.183 0.000 1.315 140 W CB 0.138 29.334 29.460 -0.439 0.000 1.373 140 W HN 0.545 nan 8.180 nan 0.000 0.557 141 P HA -0.312 nan 4.420 nan 0.000 0.217 141 P C 1.341 178.334 177.300 -0.510 0.000 1.151 141 P CA 2.121 65.015 63.100 -0.342 0.000 0.849 141 P CB 0.220 31.746 31.700 -0.291 0.000 0.787 142 N N -1.825 116.222 118.700 -1.088 0.000 2.520 142 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 142 N C 1.462 176.622 175.510 -0.584 0.000 1.068 142 N CA 0.752 53.179 53.050 -1.038 0.000 0.911 142 N CB -0.639 36.796 38.487 -1.754 0.000 0.961 142 N HN 0.322 nan 8.380 nan 0.000 0.446 143 H N -0.612 118.270 119.070 -0.314 0.000 2.387 143 H HA -0.075 4.481 4.556 -0.000 0.000 0.299 143 H C 1.952 177.359 175.328 0.131 0.000 1.090 143 H CA 1.178 57.274 56.048 0.080 0.000 1.332 143 H CB 0.282 30.184 29.762 0.234 0.000 1.386 143 H HN 0.160 nan 8.280 nan 0.000 0.516 144 K N 0.384 120.865 120.400 0.134 0.000 2.103 144 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 144 K C 2.200 178.823 176.600 0.039 0.000 1.052 144 K CA 1.194 57.538 56.287 0.096 0.000 0.945 144 K CB 0.171 32.677 32.500 0.010 0.000 0.722 144 K HN 0.119 nan 8.250 nan 0.000 0.443 145 S N 0.742 116.407 115.700 -0.058 0.000 2.368 145 S HA -0.117 4.353 4.470 -0.000 0.000 0.225 145 S C 2.003 176.553 174.600 -0.083 0.000 1.030 145 S CA 1.291 59.441 58.200 -0.084 0.000 0.999 145 S CB -0.223 62.890 63.200 -0.145 0.000 0.844 145 S HN 0.104 nan 8.310 nan 0.000 0.459 146 V N 1.282 121.115 119.914 -0.134 0.000 2.233 146 V HA -0.189 3.931 4.120 -0.000 0.000 0.247 146 V C 2.009 177.960 176.094 -0.239 0.000 1.050 146 V CA 1.901 64.067 62.300 -0.223 0.000 1.010 146 V CB -0.861 30.753 31.823 -0.349 0.000 0.637 146 V HN 0.393 nan 8.190 nan 0.000 0.444 147 F N 0.657 120.620 119.950 0.021 0.000 2.134 147 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 147 F C 2.369 178.161 175.800 -0.013 0.000 1.097 147 F CA 1.465 59.469 58.000 0.008 0.000 1.264 147 F CB -0.874 38.121 39.000 -0.008 0.000 1.001 147 F HN 0.177 nan 8.300 nan 0.000 0.479 148 N N -0.201 118.574 118.700 0.125 0.000 2.223 148 N HA -0.134 4.606 4.740 -0.000 0.000 0.185 148 N C 1.907 177.435 175.510 0.029 0.000 1.016 148 N CA 1.312 54.396 53.050 0.056 0.000 0.863 148 N CB -0.577 37.921 38.487 0.019 0.000 0.983 148 N HN 0.108 nan 8.380 nan 0.000 0.429 149 S N 0.095 115.801 115.700 0.009 0.000 2.447 149 S HA 0.024 4.493 4.470 -0.000 0.000 0.233 149 S C 1.644 176.251 174.600 0.010 0.000 1.006 149 S CA 0.820 59.019 58.200 -0.002 0.000 0.957 149 S CB -0.013 63.173 63.200 -0.024 0.000 0.773 149 S HN 0.480 nan 8.310 nan 0.000 0.507 150 A N 0.109 122.946 122.820 0.028 0.000 2.307 150 A HA 0.545 4.865 4.320 -0.000 0.000 0.218 150 A C 1.572 179.185 177.584 0.049 0.000 1.228 150 A CA 0.612 52.675 52.037 0.043 0.000 0.857 150 A CB -0.607 18.433 19.000 0.066 0.000 0.897 150 A HN 0.732 nan 8.150 nan 0.000 0.495 151 G N -1.429 107.396 108.800 0.042 0.000 2.176 151 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.253 151 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.253 151 G C 0.159 175.079 174.900 0.034 0.000 0.979 151 G CA 0.351 45.469 45.100 0.030 0.000 0.641 151 G HN 0.287 nan 8.290 nan 0.000 0.530 155 V N 3.563 123.363 119.914 -0.189 0.000 2.487 155 V HA 0.636 4.756 4.120 -0.000 0.000 0.298 155 V C -0.389 175.492 176.094 -0.355 0.000 1.028 155 V CA -0.806 61.339 62.300 -0.260 0.000 0.860 155 V CB 1.561 33.305 31.823 -0.133 0.000 0.991 155 V HN 0.500 nan 8.190 nan 0.000 0.427 156 R N 2.764 122.920 120.500 -0.574 0.000 2.670 156 R HA 0.615 4.955 4.340 -0.000 0.000 0.289 156 R C -0.556 175.496 176.300 -0.413 0.000 0.965 156 R CA -0.657 55.028 56.100 -0.691 0.000 0.899 156 R CB 2.306 31.678 30.300 -1.546 0.000 1.173 156 R HN 0.740 nan 8.270 nan 0.000 0.456 157 E N 1.993 122.088 120.200 -0.175 0.000 2.202 157 E HA 0.321 4.671 4.350 -0.000 0.000 0.272 157 E C -0.916 175.811 176.600 0.211 0.000 0.951 157 E CA -0.757 55.623 56.400 -0.033 0.000 0.813 157 E CB 1.704 31.365 29.700 -0.064 0.000 1.151 157 E HN 0.425 nan 8.360 nan 0.000 0.398 158 Y N -0.569 119.845 120.300 0.189 0.000 2.446 158 Y HA 0.706 5.256 4.550 -0.000 0.000 0.345 158 Y C -0.247 175.740 175.900 0.144 0.000 0.984 158 Y CA -1.585 56.622 58.100 0.177 0.000 1.058 158 Y CB 0.631 39.160 38.460 0.116 0.000 1.220 158 Y HN 0.515 nan 8.280 nan 0.000 0.455 159 A N 2.469 125.483 122.820 0.324 0.000 2.507 159 A HA 0.267 4.587 4.320 -0.000 0.000 0.235 159 A C -0.560 177.262 177.584 0.396 0.000 1.070 159 A CA 0.840 53.032 52.037 0.258 0.000 0.768 159 A CB -0.191 18.911 19.000 0.170 0.000 1.011 159 A HN 1.122 nan 8.150 nan 0.000 0.502 160 Y N -0.092 120.295 120.300 0.145 0.000 3.042 160 Y HA 0.187 4.737 4.550 -0.000 0.000 0.230 160 Y C -0.334 175.643 175.900 0.128 0.000 1.107 160 Y CA 0.023 58.205 58.100 0.137 0.000 1.346 160 Y CB 0.100 38.588 38.460 0.047 0.000 1.421 160 Y HN 0.660 nan 8.280 nan 0.000 0.438 161 Y N 3.413 123.779 120.300 0.109 0.000 2.313 161 Y HA 0.354 4.904 4.550 -0.000 0.000 0.332 161 Y C -0.393 175.512 175.900 0.009 0.000 1.071 161 Y CA -1.195 56.923 58.100 0.030 0.000 1.169 161 Y CB 0.610 39.155 38.460 0.141 0.000 1.192 161 Y HN 0.117 nan 8.280 nan 0.000 0.487 162 D N 5.399 125.478 120.400 -0.535 0.000 2.411 162 D HA 0.247 4.887 4.640 -0.000 0.000 0.225 162 D C 0.651 176.402 176.300 -0.915 0.000 1.156 162 D CA 0.384 54.070 54.000 -0.522 0.000 0.874 162 D CB 1.282 41.868 40.800 -0.355 0.000 1.034 162 D HN 0.856 nan 8.370 nan 0.000 0.502 163 A N 4.267 126.697 122.820 -0.651 0.000 1.849 163 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 163 A C 2.127 179.295 177.584 -0.692 0.000 1.202 163 A CA 2.587 54.291 52.037 -0.555 0.000 0.629 163 A CB -1.141 17.737 19.000 -0.203 0.000 0.834 163 A HN 0.626 nan 8.150 nan 0.000 0.447 164 E N 0.082 119.986 120.200 -0.493 0.000 2.065 164 E HA -0.303 4.047 4.350 -0.000 0.000 0.201 164 E C 1.603 177.834 176.600 -0.615 0.000 1.016 164 E CA 1.962 58.078 56.400 -0.474 0.000 0.818 164 E CB -1.332 28.207 29.700 -0.268 0.000 0.749 164 E HN 0.882 nan 8.360 nan 0.000 0.453 165 N N -0.827 117.580 118.700 -0.489 0.000 2.398 165 N HA 0.118 4.858 4.740 -0.000 0.000 0.188 165 N C -0.586 174.753 175.510 -0.284 0.000 1.122 165 N CA 0.400 53.257 53.050 -0.321 0.000 0.866 165 N CB 0.195 38.570 38.487 -0.187 0.000 0.970 165 N HN 0.616 nan 8.380 nan 0.000 0.462 166 H N -0.482 118.353 119.070 -0.392 0.000 2.626 166 H HA -0.168 4.388 4.556 -0.000 0.000 0.317 166 H C -0.056 175.220 175.328 -0.087 0.000 1.140 166 H CA 0.889 56.742 56.048 -0.325 0.000 1.134 166 H CB -1.553 27.959 29.762 -0.416 0.000 1.486 166 H HN 0.112 nan 8.280 nan 0.000 0.417 167 T N -1.213 113.239 114.554 -0.170 0.000 2.669 167 T HA 0.549 4.899 4.350 -0.000 0.000 0.283 167 T C -0.707 173.934 174.700 -0.098 0.000 1.019 167 T CA -0.903 61.176 62.100 -0.035 0.000 1.039 167 T CB 1.375 70.212 68.868 -0.051 0.000 1.374 167 T HN 0.239 nan 8.240 nan 0.000 0.523 168 L N 2.241 123.396 121.223 -0.113 0.000 2.290 168 L HA 0.397 4.737 4.340 -0.000 0.000 0.284 168 L C -0.383 176.397 176.870 -0.149 0.000 1.078 168 L CA -0.290 54.412 54.840 -0.231 0.000 0.815 168 L CB 0.846 42.716 42.059 -0.315 0.000 1.162 168 L HN 0.660 nan 8.230 nan 0.000 0.435 169 D N 4.218 124.536 120.400 -0.136 0.000 2.741 169 D HA -0.038 4.602 4.640 -0.000 0.000 0.233 169 D C 1.027 177.350 176.300 0.037 0.000 1.160 169 D CA -0.180 53.792 54.000 -0.048 0.000 1.003 169 D CB 0.083 40.853 40.800 -0.049 0.000 1.064 169 D HN 0.448 nan 8.370 nan 0.000 0.503 170 F N 1.199 121.075 119.950 -0.123 0.000 2.271 170 F HA -0.208 4.318 4.527 -0.000 0.000 0.302 170 F C 1.386 177.161 175.800 -0.041 0.000 1.063 170 F CA 1.427 59.375 58.000 -0.087 0.000 1.362 170 F CB 0.123 39.073 39.000 -0.084 0.000 1.060 170 F HN 0.227 nan 8.300 nan 0.000 0.521 171 D N -0.726 119.672 120.400 -0.004 0.000 2.162 171 D HA 0.014 4.654 4.640 -0.000 0.000 0.205 171 D C 2.329 178.586 176.300 -0.073 0.000 0.964 171 D CA 1.217 55.171 54.000 -0.077 0.000 0.847 171 D CB -0.286 40.499 40.800 -0.026 0.000 0.988 171 D HN 0.232 nan 8.370 nan 0.000 0.480 172 A N 0.348 123.152 122.820 -0.026 0.000 1.969 172 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 172 A C 2.061 179.658 177.584 0.022 0.000 1.169 172 A CA 0.685 52.725 52.037 0.004 0.000 0.635 172 A CB -0.662 18.354 19.000 0.027 0.000 0.810 172 A HN 0.290 nan 8.150 nan 0.000 0.445 173 L N -0.361 120.869 121.223 0.011 0.000 1.973 173 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 173 L C 2.364 179.174 176.870 -0.100 0.000 1.073 173 L CA 1.696 56.558 54.840 0.037 0.000 0.746 173 L CB -0.278 41.827 42.059 0.075 0.000 0.891 173 L HN 0.384 nan 8.230 nan 0.000 0.433 174 I N 0.257 120.689 120.570 -0.229 0.000 2.335 174 I HA -0.304 3.866 4.170 -0.000 0.000 0.251 174 I C 2.098 178.138 176.117 -0.128 0.000 1.129 174 I CA 0.946 62.111 61.300 -0.225 0.000 1.402 174 I CB -0.532 37.243 38.000 -0.376 0.000 1.069 174 I HN 0.456 nan 8.210 nan 0.000 0.424 175 N N 0.365 119.006 118.700 -0.099 0.000 2.216 175 N HA -0.098 4.642 4.740 -0.000 0.000 0.183 175 N C 2.011 177.497 175.510 -0.040 0.000 1.017 175 N CA 1.243 54.260 53.050 -0.056 0.000 0.861 175 N CB 0.027 38.494 38.487 -0.034 0.000 0.986 175 N HN 0.219 nan 8.380 nan 0.000 0.428 176 S N 1.227 116.910 115.700 -0.028 0.000 2.355 176 S HA 0.035 4.505 4.470 -0.000 0.000 0.222 176 S C 1.964 176.468 174.600 -0.159 0.000 1.031 176 S CA 0.573 58.773 58.200 0.001 0.000 0.993 176 S CB -0.175 63.095 63.200 0.116 0.000 0.859 176 S HN 0.283 nan 8.310 nan 0.000 0.453 177 L N 1.867 122.928 121.223 -0.271 0.000 2.622 177 L HA -0.053 4.287 4.340 -0.000 0.000 0.233 177 L C 2.571 179.289 176.870 -0.253 0.000 1.156 177 L CA 0.656 55.187 54.840 -0.516 0.000 0.866 177 L CB -1.288 40.453 42.059 -0.529 0.000 0.980 177 L HN 0.537 nan 8.230 nan 0.000 0.448 178 N N 0.258 118.889 118.700 -0.115 0.000 2.459 178 N HA -0.210 4.530 4.740 -0.000 0.000 0.181 178 N C 1.774 177.264 175.510 -0.033 0.000 1.046 178 N CA 1.095 54.133 53.050 -0.019 0.000 0.904 178 N CB -0.216 38.261 38.487 -0.017 0.000 0.964 178 N HN 0.527 nan 8.380 nan 0.000 0.444 179 E N -0.307 119.820 120.200 -0.121 0.000 2.489 179 E HA 0.279 4.629 4.350 -0.000 0.000 0.193 179 E C 0.241 176.801 176.600 -0.068 0.000 1.057 179 E CA -0.077 56.304 56.400 -0.032 0.000 0.866 179 E CB 0.050 29.806 29.700 0.093 0.000 0.916 179 E HN 0.605 nan 8.360 nan 0.000 0.500 180 A N 1.534 124.116 122.820 -0.397 0.000 2.437 180 A HA 0.406 4.726 4.320 -0.000 0.000 0.303 180 A C 0.411 178.075 177.584 0.133 0.000 1.324 180 A CA 0.157 51.937 52.037 -0.429 0.000 0.983 180 A CB -0.176 18.007 19.000 -1.362 0.000 1.142 180 A HN 0.408 nan 8.150 nan 0.000 0.541 181 Q N 1.254 121.186 119.800 0.221 0.000 2.614 181 Q HA 0.499 4.839 4.340 -0.000 0.000 0.244 181 Q C 0.666 176.830 176.000 0.273 0.000 1.097 181 Q CA 0.258 56.191 55.803 0.216 0.000 0.986 181 Q CB -0.038 28.809 28.738 0.182 0.000 1.308 181 Q HN 2.249 nan 8.270 nan 0.000 0.546 182 A N -0.460 122.480 122.820 0.199 0.000 2.445 182 A HA 0.566 4.886 4.320 -0.000 0.000 0.242 182 A C 1.732 179.433 177.584 0.195 0.000 1.075 182 A CA 0.936 53.087 52.037 0.190 0.000 0.777 182 A CB -0.400 18.658 19.000 0.096 0.000 1.013 182 A HN 2.608 nan 8.150 nan 0.000 0.493 183 G N 1.254 110.183 108.800 0.215 0.000 2.225 183 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.254 183 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.254 183 G C 0.095 175.116 174.900 0.203 0.000 0.988 183 G CA 0.443 45.653 45.100 0.183 0.000 0.625 183 G HN 0.831 nan 8.290 nan 0.000 0.527 184 D N 0.014 120.568 120.400 0.257 0.000 2.357 184 D HA 0.487 5.127 4.640 -0.000 0.000 0.242 184 D C 0.611 177.044 176.300 0.223 0.000 1.153 184 D CA 0.049 54.198 54.000 0.248 0.000 0.918 184 D CB 1.592 42.598 40.800 0.344 0.000 1.181 184 D HN 0.159 nan 8.370 nan 0.000 0.435 185 V N 1.528 121.541 119.914 0.164 0.000 2.483 185 V HA 0.353 4.473 4.120 -0.000 0.000 0.295 185 V C 0.038 176.150 176.094 0.030 0.000 1.035 185 V CA -0.659 61.696 62.300 0.091 0.000 0.896 185 V CB 1.887 33.712 31.823 0.005 0.000 0.986 185 V HN 0.213 nan 8.190 nan 0.000 0.447 186 V N 5.683 125.552 119.914 -0.074 0.000 2.443 186 V HA 0.358 4.478 4.120 -0.000 0.000 0.293 186 V C -0.348 175.477 176.094 -0.448 0.000 1.021 186 V CA -0.638 61.480 62.300 -0.304 0.000 0.848 186 V CB 1.774 33.209 31.823 -0.645 0.000 0.998 186 V HN 0.618 nan 8.190 nan 0.000 0.424 187 L N 5.822 126.799 121.223 -0.411 0.000 2.331 187 L HA 0.569 4.909 4.340 -0.000 0.000 0.278 187 L C -1.161 175.403 176.870 -0.509 0.000 1.106 187 L CA 0.599 55.211 54.840 -0.379 0.000 0.824 187 L CB 0.572 42.445 42.059 -0.309 0.000 1.142 187 L HN 0.488 nan 8.230 nan 0.000 0.443 188 F N 3.515 123.331 119.950 -0.224 0.000 2.540 188 F HA 0.421 4.948 4.527 -0.000 0.000 0.317 188 F C 0.454 176.305 175.800 0.085 0.000 1.104 188 F CA -0.689 57.227 58.000 -0.140 0.000 0.913 188 F CB 1.287 39.832 39.000 -0.758 0.000 1.170 188 F HN 0.431 nan 8.300 nan 0.000 0.450 189 H N 1.766 121.068 119.070 0.387 0.000 2.620 189 H HA 0.172 4.728 4.556 -0.000 0.000 0.313 189 H C 1.015 176.700 175.328 0.594 0.000 1.075 189 H CA 0.065 56.362 56.048 0.414 0.000 1.397 189 H CB 1.623 31.597 29.762 0.352 0.000 1.446 189 H HN 0.959 nan 8.280 nan 0.000 0.493 190 G N 3.054 112.259 108.800 0.675 0.000 2.476 190 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 190 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 190 G C 0.592 175.907 174.900 0.692 0.000 1.164 190 G CA 1.284 46.719 45.100 0.558 0.000 0.768 190 G HN 0.786 nan 8.290 nan 0.000 0.560 191 C N -5.458 114.288 119.300 0.743 0.000 3.259 191 C HA 0.505 4.965 4.460 -0.000 0.000 0.344 191 C C 0.383 175.681 174.990 0.515 0.000 1.401 191 C CA -0.923 58.461 59.018 0.610 0.000 1.219 191 C CB 0.651 28.708 27.740 0.529 0.000 1.521 191 C HN 1.031 nan 8.230 nan 0.000 0.455 192 C N 2.271 121.796 119.300 0.374 0.000 3.896 192 C HA -0.117 4.343 4.460 -0.000 0.000 0.300 192 C C 0.609 175.747 174.990 0.247 0.000 1.322 192 C CA 1.141 60.282 59.018 0.205 0.000 2.130 192 C CB -3.396 24.343 27.740 -0.001 0.000 1.363 192 C HN 1.247 nan 8.230 nan 0.000 0.642 193 H N 1.775 120.986 119.070 0.234 0.000 3.038 193 H HA 0.067 4.623 4.556 -0.000 0.000 0.338 193 H C 0.447 175.828 175.328 0.090 0.000 1.041 193 H CA 1.350 57.496 56.048 0.164 0.000 1.394 193 H CB 0.540 30.316 29.762 0.025 0.000 1.357 193 H HN 0.720 nan 8.280 nan 0.000 0.600 194 N N 5.892 124.404 118.700 -0.313 0.000 2.407 194 N HA 0.160 4.900 4.740 -0.000 0.000 0.277 194 N C -2.315 172.952 175.510 -0.405 0.000 0.995 194 N CA -2.089 50.842 53.050 -0.199 0.000 0.903 194 N CB 1.952 40.439 38.487 0.000 0.000 1.218 194 N HN 0.402 nan 8.380 nan 0.000 0.487 195 P HA 0.104 nan 4.420 nan 0.000 0.267 195 P C 0.852 177.849 177.300 -0.506 0.000 1.289 195 P CA 0.254 63.104 63.100 -0.416 0.000 0.866 195 P CB 0.280 31.729 31.700 -0.418 0.000 1.309 196 T N -3.933 110.391 114.554 -0.383 0.000 2.857 196 T HA 0.114 4.464 4.350 -0.000 0.000 0.266 196 T C 1.771 176.463 174.700 -0.013 0.000 1.048 196 T CA 1.502 63.340 62.100 -0.436 0.000 1.139 196 T CB -1.268 67.341 68.868 -0.432 0.000 0.874 196 T HN 0.181 nan 8.240 nan 0.000 0.455 197 G N 1.314 110.201 108.800 0.144 0.000 2.179 197 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.260 197 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.260 197 G C 0.062 175.081 174.900 0.198 0.000 0.977 197 G CA 0.189 45.396 45.100 0.178 0.000 0.641 197 G HN 0.681 nan 8.290 nan 0.000 0.533 198 I N 2.133 122.822 120.570 0.198 0.000 2.307 198 I HA 0.342 4.512 4.170 -0.000 0.000 0.289 198 I C -0.601 175.629 176.117 0.188 0.000 1.021 198 I CA -0.779 60.623 61.300 0.171 0.000 1.224 198 I CB 1.002 39.090 38.000 0.146 0.000 1.376 198 I HN -0.043 nan 8.210 nan 0.000 0.470 199 D N 7.720 128.231 120.400 0.185 0.000 2.268 199 D HA 0.450 5.090 4.640 -0.000 0.000 0.249 199 D C -2.307 173.994 176.300 0.002 0.000 1.008 199 D CA -1.342 52.782 54.000 0.207 0.000 0.939 199 D CB 1.289 42.284 40.800 0.325 0.000 1.170 199 D HN 0.171 nan 8.370 nan 0.000 0.468 200 P HA 0.164 nan 4.420 nan 0.000 0.276 200 P C -0.122 176.991 177.300 -0.312 0.000 1.244 200 P CA -0.337 62.471 63.100 -0.486 0.000 0.801 200 P CB 0.501 31.570 31.700 -1.051 0.000 1.006 201 T N -0.761 113.643 114.554 -0.249 0.000 2.849 201 T HA 0.131 4.481 4.350 -0.000 0.000 0.284 201 T C 1.097 175.823 174.700 0.042 0.000 1.004 201 T CA -0.619 61.448 62.100 -0.056 0.000 1.021 201 T CB 0.283 69.105 68.868 -0.076 0.000 1.013 201 T HN 0.139 nan 8.240 nan 0.000 0.527 202 L N 0.902 122.234 121.223 0.182 0.000 2.013 202 L HA -0.083 4.257 4.340 -0.000 0.000 0.212 202 L C 2.450 179.433 176.870 0.188 0.000 1.073 202 L CA 1.982 56.988 54.840 0.277 0.000 0.753 202 L CB -1.345 40.823 42.059 0.181 0.000 0.890 202 L HN 0.810 nan 8.230 nan 0.000 0.432 203 E N -0.365 119.876 120.200 0.068 0.000 2.097 203 E HA -0.270 4.080 4.350 -0.000 0.000 0.196 203 E C 2.213 178.811 176.600 -0.004 0.000 1.000 203 E CA 1.855 58.270 56.400 0.024 0.000 0.804 203 E CB -0.333 29.351 29.700 -0.027 0.000 0.740 203 E HN 0.669 nan 8.360 nan 0.000 0.454 204 Q N -1.333 118.380 119.800 -0.145 0.000 2.172 204 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 204 Q C 2.033 178.051 176.000 0.029 0.000 0.964 204 Q CA 1.019 56.642 55.803 -0.300 0.000 0.855 204 Q CB -0.270 28.010 28.738 -0.764 0.000 0.918 204 Q HN 0.440 nan 8.270 nan 0.000 0.444 205 W N 1.645 123.006 121.300 0.101 0.000 2.381 205 W HA -0.161 4.499 4.660 -0.000 0.000 0.301 205 W C 2.494 179.104 176.519 0.152 0.000 1.205 205 W CA 0.291 57.767 57.345 0.217 0.000 1.285 205 W CB 0.128 29.717 29.460 0.214 0.000 1.133 205 W HN 0.145 nan 8.180 nan 0.000 0.521 206 Q N -0.197 119.792 119.800 0.316 0.000 2.045 206 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 206 Q C 1.914 177.974 176.000 0.099 0.000 0.991 206 Q CA 2.388 58.280 55.803 0.148 0.000 0.851 206 Q CB -1.470 27.331 28.738 0.104 0.000 0.911 206 Q HN 0.273 nan 8.270 nan 0.000 0.418 207 T N 2.428 117.074 114.554 0.154 0.000 2.595 207 T HA -0.136 4.214 4.350 -0.000 0.000 0.264 207 T C 2.180 176.968 174.700 0.146 0.000 1.058 207 T CA 1.282 63.479 62.100 0.162 0.000 1.166 207 T CB -0.529 68.522 68.868 0.305 0.000 0.863 207 T HN 0.167 nan 8.240 nan 0.000 0.415 208 L N 0.782 122.169 121.223 0.275 0.000 2.089 208 L HA -0.236 4.104 4.340 -0.000 0.000 0.213 208 L C 2.987 179.889 176.870 0.053 0.000 1.079 208 L CA 1.394 56.425 54.840 0.319 0.000 0.758 208 L CB -0.743 41.635 42.059 0.533 0.000 0.891 208 L HN 0.291 nan 8.230 nan 0.000 0.433 209 A N -0.339 122.271 122.820 -0.351 0.000 1.858 209 A HA -0.281 4.038 4.320 -0.000 0.000 0.216 209 A C 2.475 179.863 177.584 -0.327 0.000 1.190 209 A CA 2.356 53.846 52.037 -0.913 0.000 0.617 209 A CB -0.990 17.534 19.000 -0.794 0.000 0.827 209 A HN 0.443 nan 8.150 nan 0.000 0.443 210 Q N -0.839 118.840 119.800 -0.201 0.000 2.079 210 Q HA 0.006 4.346 4.340 -0.000 0.000 0.200 210 Q C 2.167 178.050 176.000 -0.195 0.000 0.974 210 Q CA 1.787 57.488 55.803 -0.171 0.000 0.840 210 Q CB -1.036 27.639 28.738 -0.105 0.000 0.898 210 Q HN 0.802 nan 8.270 nan 0.000 0.430 211 L N 0.247 121.374 121.223 -0.160 0.000 2.201 211 L HA 0.011 4.351 4.340 -0.000 0.000 0.212 211 L C 2.527 179.095 176.870 -0.504 0.000 1.105 211 L CA 2.284 56.981 54.840 -0.239 0.000 0.775 211 L CB -0.608 41.383 42.059 -0.114 0.000 0.913 211 L HN 0.408 nan 8.230 nan 0.000 0.440 212 S N -1.061 114.440 115.700 -0.333 0.000 2.355 212 S HA -0.139 4.331 4.470 -0.000 0.000 0.222 212 S C 2.073 176.473 174.600 -0.334 0.000 1.031 212 S CA 1.577 59.606 58.200 -0.286 0.000 0.993 212 S CB -0.574 62.911 63.200 0.476 0.000 0.859 212 S HN 0.498 nan 8.310 nan 0.000 0.453 213 V N 0.158 119.847 119.914 -0.374 0.000 2.515 213 V HA 0.114 4.234 4.120 -0.000 0.000 0.250 213 V C 2.439 178.332 176.094 -0.334 0.000 1.058 213 V CA 2.215 64.247 62.300 -0.447 0.000 1.064 213 V CB -1.761 29.774 31.823 -0.480 0.000 0.675 213 V HN 0.591 nan 8.190 nan 0.000 0.461 214 E N 1.107 121.103 120.200 -0.340 0.000 2.047 214 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 214 E C 2.098 178.500 176.600 -0.329 0.000 0.987 214 E CA 1.462 57.692 56.400 -0.283 0.000 0.799 214 E CB -0.614 28.942 29.700 -0.242 0.000 0.752 214 E HN 0.648 nan 8.360 nan 0.000 0.449 215 K N -1.060 119.010 120.400 -0.550 0.000 2.432 215 K HA 0.111 4.431 4.320 -0.000 0.000 0.196 215 K C 1.228 177.541 176.600 -0.478 0.000 1.038 215 K CA 0.665 56.599 56.287 -0.587 0.000 0.986 215 K CB 0.190 32.094 32.500 -0.993 0.000 0.782 215 K HN 0.652 nan 8.250 nan 0.000 0.485 216 G N 2.145 110.694 108.800 -0.419 0.000 2.326 216 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.286 216 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.286 216 G C -0.532 174.420 174.900 0.087 0.000 1.096 216 G CA -0.193 44.828 45.100 -0.132 0.000 1.003 216 G HN 0.085 nan 8.290 nan 0.000 0.503 217 W N -0.563 120.830 121.300 0.155 0.000 2.509 217 W HA 0.693 5.353 4.660 -0.000 0.000 0.351 217 W C 0.321 176.990 176.519 0.249 0.000 1.107 217 W CA -1.810 55.641 57.345 0.177 0.000 1.264 217 W CB 1.045 30.607 29.460 0.169 0.000 1.312 217 W HN 0.144 nan 8.180 nan 0.000 0.608 218 L N 4.475 125.971 121.223 0.456 0.000 2.255 218 L HA 0.322 4.662 4.340 -0.000 0.000 0.289 218 L C -2.179 174.897 176.870 0.345 0.000 1.046 218 L CA -1.716 53.341 54.840 0.360 0.000 0.816 218 L CB 1.262 43.482 42.059 0.269 0.000 1.197 218 L HN -0.102 nan 8.230 nan 0.000 0.427 219 P HA 0.153 nan 4.420 nan 0.000 0.282 219 P C -1.065 176.393 177.300 0.263 0.000 1.274 219 P CA -0.351 62.955 63.100 0.343 0.000 0.770 219 P CB 0.972 32.894 31.700 0.370 0.000 0.867 220 L N 5.771 127.074 121.223 0.134 0.000 2.319 220 L HA 0.554 4.894 4.340 -0.000 0.000 0.281 220 L C -1.544 175.336 176.870 0.016 0.000 1.005 220 L CA -0.595 54.324 54.840 0.133 0.000 0.828 220 L CB -0.000 42.116 42.059 0.096 0.000 1.227 220 L HN 0.128 nan 8.230 nan 0.000 0.415 221 F N 3.408 123.399 119.950 0.068 0.000 2.415 221 F HA 0.371 4.898 4.527 -0.000 0.000 0.348 221 F C 0.361 176.191 175.800 0.051 0.000 1.119 221 F CA -0.357 57.658 58.000 0.025 0.000 1.069 221 F CB 1.362 40.267 39.000 -0.158 0.000 1.124 221 F HN 0.445 nan 8.300 nan 0.000 0.472 222 D N 3.995 124.515 120.400 0.200 0.000 2.373 222 D HA 0.140 4.780 4.640 -0.000 0.000 0.227 222 D C -1.365 175.099 176.300 0.273 0.000 1.091 222 D CA -0.170 53.925 54.000 0.159 0.000 0.840 222 D CB 0.432 41.257 40.800 0.042 0.000 1.060 222 D HN 0.178 nan 8.370 nan 0.000 0.502 223 F N 3.328 123.282 119.950 0.007 0.000 2.310 223 F HA 0.469 4.996 4.527 -0.000 0.000 0.365 223 F C 0.528 176.233 175.800 -0.160 0.000 1.080 223 F CA -1.246 56.739 58.000 -0.025 0.000 1.187 223 F CB 0.963 39.927 39.000 -0.060 0.000 1.465 223 F HN 0.461 nan 8.300 nan 0.000 0.496 224 A N 3.486 126.172 122.820 -0.224 0.000 2.343 224 A HA 0.173 4.493 4.320 -0.000 0.000 0.223 224 A C -0.097 176.909 177.584 -0.963 0.000 1.214 224 A CA 0.307 51.955 52.037 -0.647 0.000 0.900 224 A CB -0.238 18.253 19.000 -0.848 0.000 0.942 224 A HN 0.553 nan 8.150 nan 0.000 0.507 225 Y N -0.210 119.985 120.300 -0.174 0.000 2.715 225 Y HA 0.302 4.852 4.550 -0.000 0.000 0.255 225 Y C 0.580 176.440 175.900 -0.066 0.000 1.139 225 Y CA -0.904 57.191 58.100 -0.008 0.000 1.151 225 Y CB -0.163 38.320 38.460 0.037 0.000 1.201 225 Y HN 0.338 nan 8.280 nan 0.000 0.556 226 Q N 1.083 120.597 119.800 -0.477 0.000 2.262 226 Q HA 0.268 4.608 4.340 -0.000 0.000 0.298 226 Q C 1.165 177.065 176.000 -0.167 0.000 1.083 226 Q CA 1.684 57.168 55.803 -0.532 0.000 0.962 226 Q CB 0.092 28.356 28.738 -0.790 0.000 1.104 226 Q HN 0.821 nan 8.270 nan 0.000 0.376 227 G N 3.249 111.979 108.800 -0.117 0.000 2.218 227 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 227 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 227 G C 0.146 174.840 174.900 -0.344 0.000 0.994 227 G CA 0.028 44.974 45.100 -0.256 0.000 0.637 227 G HN 0.650 nan 8.290 nan 0.000 0.505 228 F N 1.284 121.214 119.950 -0.034 0.000 2.749 228 F HA 0.591 5.118 4.527 -0.000 0.000 0.300 228 F C 2.427 178.224 175.800 -0.004 0.000 1.103 228 F CA 1.212 59.198 58.000 -0.022 0.000 1.342 228 F CB 0.305 39.317 39.000 0.019 0.000 1.098 228 F HN 0.352 nan 8.300 nan 0.000 0.586 229 A N 0.425 123.347 122.820 0.169 0.000 1.896 229 A HA 0.155 4.475 4.320 -0.000 0.000 0.213 229 A C 2.070 179.704 177.584 0.084 0.000 1.306 229 A CA 0.831 52.955 52.037 0.144 0.000 0.626 229 A CB -0.047 19.066 19.000 0.189 0.000 0.994 229 A HN 0.235 nan 8.150 nan 0.000 0.475 230 R N -2.399 118.138 120.500 0.062 0.000 2.428 230 R HA 0.414 4.754 4.340 -0.000 0.000 0.193 230 R C 0.623 176.909 176.300 -0.024 0.000 0.852 230 R CA 0.603 56.719 56.100 0.027 0.000 1.055 230 R CB 1.009 31.340 30.300 0.052 0.000 1.343 230 R HN 0.612 nan 8.270 nan 0.000 0.655 234 E N 0.940 121.153 120.200 0.021 0.000 2.051 234 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 234 E C 1.688 178.316 176.600 0.046 0.000 0.991 234 E CA 1.692 58.112 56.400 0.033 0.000 0.799 234 E CB 0.073 29.784 29.700 0.019 0.000 0.748 234 E HN 0.481 nan 8.360 nan 0.000 0.449 235 E N 1.064 121.290 120.200 0.044 0.000 2.118 235 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 235 E C 1.647 178.311 176.600 0.106 0.000 0.992 235 E CA 1.304 57.742 56.400 0.064 0.000 0.804 235 E CB -0.202 29.530 29.700 0.054 0.000 0.741 235 E HN 0.204 nan 8.360 nan 0.000 0.458 236 D N -0.378 120.102 120.400 0.132 0.000 2.264 236 D HA -0.030 4.610 4.640 -0.000 0.000 0.208 236 D C 1.313 177.796 176.300 0.305 0.000 0.966 236 D CA 1.180 55.319 54.000 0.233 0.000 0.864 236 D CB -0.095 40.831 40.800 0.209 0.000 0.933 236 D HN 0.230 nan 8.370 nan 0.000 0.499 237 A N 0.091 123.026 122.820 0.191 0.000 2.275 237 A HA 0.041 4.361 4.320 -0.000 0.000 0.212 237 A C 1.802 179.271 177.584 -0.192 0.000 1.201 237 A CA 0.086 52.106 52.037 -0.027 0.000 0.843 237 A CB -0.170 18.819 19.000 -0.017 0.000 0.873 237 A HN 0.053 nan 8.150 nan 0.000 0.492 238 E N 0.068 120.217 120.200 -0.084 0.000 2.065 238 E HA -0.227 4.123 4.350 -0.000 0.000 0.201 238 E C 2.107 178.564 176.600 -0.238 0.000 1.016 238 E CA 1.447 57.794 56.400 -0.088 0.000 0.818 238 E CB -0.314 29.405 29.700 0.031 0.000 0.749 238 E HN 0.604 nan 8.360 nan 0.000 0.453 239 G N 0.904 109.387 108.800 -0.528 0.000 2.440 239 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 239 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 239 G C 1.508 175.893 174.900 -0.859 0.000 1.154 239 G CA 0.885 45.279 45.100 -1.177 0.000 0.767 239 G HN 0.196 nan 8.290 nan 0.000 0.552 240 L N 0.749 121.385 121.223 -0.979 0.000 1.994 240 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 240 L C 2.818 179.398 176.870 -0.484 0.000 1.071 240 L CA 1.661 55.832 54.840 -1.115 0.000 0.745 240 L CB -0.536 40.787 42.059 -1.227 0.000 0.892 240 L HN 0.083 nan 8.230 nan 0.000 0.431 241 R N -0.101 120.220 120.500 -0.297 0.000 2.159 241 R HA -0.115 4.225 4.340 -0.000 0.000 0.237 241 R C 2.120 178.400 176.300 -0.033 0.000 1.131 241 R CA 1.217 57.267 56.100 -0.084 0.000 0.982 241 R CB -0.837 29.434 30.300 -0.048 0.000 0.868 241 R HN 0.573 nan 8.270 nan 0.000 0.453 242 A N 0.516 123.314 122.820 -0.038 0.000 1.929 242 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 242 A C 1.840 179.469 177.584 0.075 0.000 1.176 242 A CA 0.883 52.941 52.037 0.036 0.000 0.628 242 A CB -0.406 18.644 19.000 0.083 0.000 0.816 242 A HN 0.139 nan 8.150 nan 0.000 0.444 243 F N 0.208 120.095 119.950 -0.105 0.000 2.163 243 F HA 0.009 4.536 4.527 -0.000 0.000 0.297 243 F C 2.779 178.602 175.800 0.039 0.000 1.094 243 F CA 0.698 58.695 58.000 -0.006 0.000 1.290 243 F CB -0.690 38.236 39.000 -0.123 0.000 1.017 243 F HN 0.255 nan 8.300 nan 0.000 0.483 244 A N 0.342 123.243 122.820 0.136 0.000 1.859 244 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 244 A C 2.352 179.963 177.584 0.046 0.000 1.209 244 A CA 2.275 54.356 52.037 0.073 0.000 0.639 244 A CB -1.537 17.498 19.000 0.059 0.000 0.835 244 A HN 0.312 nan 8.150 nan 0.000 0.450 245 A N -1.978 120.858 122.820 0.027 0.000 2.234 245 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 245 A C 2.001 179.592 177.584 0.012 0.000 1.167 245 A CA 1.856 53.895 52.037 0.004 0.000 0.698 245 A CB -0.419 18.580 19.000 -0.001 0.000 0.779 245 A HN 0.668 nan 8.150 nan 0.000 0.475 246 M N -2.577 117.057 119.600 0.057 0.000 2.379 246 M HA 0.229 4.709 4.480 -0.000 0.000 0.268 246 M C -0.093 176.211 176.300 0.006 0.000 1.185 246 M CA 0.105 55.416 55.300 0.018 0.000 1.121 246 M CB 0.656 33.243 32.600 -0.022 0.000 1.608 246 M HN 0.391 nan 8.290 nan 0.000 0.569 247 H N 0.092 119.170 119.070 0.013 0.000 2.495 247 H HA 0.431 4.987 4.556 -0.000 0.000 0.350 247 H C 0.874 176.225 175.328 0.038 0.000 1.202 247 H CA 0.750 56.828 56.048 0.051 0.000 1.322 247 H CB 1.195 31.045 29.762 0.147 0.000 1.544 247 H HN 0.068 nan 8.280 nan 0.000 0.565 248 K N 1.094 121.585 120.400 0.151 0.000 2.284 248 K HA 0.158 4.477 4.320 -0.000 0.000 0.198 248 K C 0.127 176.803 176.600 0.127 0.000 1.048 248 K CA 0.994 57.337 56.287 0.094 0.000 0.987 248 K CB 0.039 32.574 32.500 0.057 0.000 0.800 248 K HN 0.765 nan 8.250 nan 0.000 0.486 249 E N -0.391 119.929 120.200 0.201 0.000 2.292 249 E HA 0.631 4.981 4.350 -0.000 0.000 0.272 249 E C -1.397 175.353 176.600 0.250 0.000 0.881 249 E CA -1.185 55.336 56.400 0.202 0.000 0.754 249 E CB 2.035 31.854 29.700 0.198 0.000 1.201 249 E HN 0.286 nan 8.360 nan 0.000 0.425 250 L N -1.098 120.257 121.223 0.219 0.000 2.794 250 L HA 0.628 4.968 4.340 -0.000 0.000 0.261 250 L C -1.609 175.399 176.870 0.231 0.000 0.989 250 L CA -0.751 54.233 54.840 0.239 0.000 0.900 250 L CB 0.970 43.166 42.059 0.228 0.000 1.473 250 L HN 0.567 nan 8.230 nan 0.000 0.414 251 I N 1.612 122.334 120.570 0.253 0.000 2.509 251 I HA 0.739 4.909 4.170 -0.000 0.000 0.293 251 I C -1.046 175.215 176.117 0.240 0.000 1.020 251 I CA -1.206 60.233 61.300 0.232 0.000 1.088 251 I CB 2.244 40.392 38.000 0.246 0.000 1.267 251 I HN 0.561 nan 8.210 nan 0.000 0.430 252 V N 5.992 126.020 119.914 0.190 0.000 2.443 252 V HA 0.752 4.872 4.120 -0.000 0.000 0.293 252 V C -0.396 175.775 176.094 0.129 0.000 1.021 252 V CA -0.205 62.189 62.300 0.157 0.000 0.848 252 V CB 1.546 33.389 31.823 0.033 0.000 0.998 252 V HN 0.809 nan 8.190 nan 0.000 0.424 253 A N 5.610 128.519 122.820 0.147 0.000 2.253 253 A HA 0.836 5.156 4.320 -0.000 0.000 0.316 253 A C 0.233 177.865 177.584 0.081 0.000 1.327 253 A CA 0.100 52.206 52.037 0.116 0.000 0.917 253 A CB 0.616 19.698 19.000 0.136 0.000 1.162 253 A HN 1.428 nan 8.150 nan 0.000 0.535 254 S N 1.594 117.307 115.700 0.022 0.000 2.607 254 S HA 0.840 5.310 4.470 -0.000 0.000 0.303 254 S C -0.185 174.303 174.600 -0.187 0.000 1.086 254 S CA -0.466 57.691 58.200 -0.072 0.000 0.995 254 S CB 1.772 64.898 63.200 -0.123 0.000 1.084 254 S HN 1.138 nan 8.310 nan 0.000 0.507 255 S N 0.030 115.542 115.700 -0.313 0.000 2.536 255 S HA 0.612 5.082 4.470 -0.000 0.000 0.287 255 S C -1.319 173.059 174.600 -0.371 0.000 1.101 255 S CA -0.572 57.455 58.200 -0.287 0.000 0.950 255 S CB 0.855 63.902 63.200 -0.255 0.000 1.056 255 S HN 0.699 nan 8.310 nan 0.000 0.481 256 Y N 2.136 122.418 120.300 -0.030 0.000 2.507 256 Y HA 0.300 4.850 4.550 -0.000 0.000 0.254 256 Y C 2.260 178.158 175.900 -0.003 0.000 1.171 256 Y CA -0.088 58.030 58.100 0.030 0.000 1.238 256 Y CB 0.066 38.515 38.460 -0.019 0.000 1.148 256 Y HN 0.610 nan 8.280 nan 0.000 0.525 257 S N 0.309 116.014 115.700 0.008 0.000 2.359 257 S HA -0.226 4.244 4.470 -0.000 0.000 0.223 257 S C 1.902 176.269 174.600 -0.389 0.000 1.039 257 S CA 1.877 59.988 58.200 -0.148 0.000 1.042 257 S CB 0.007 63.161 63.200 -0.076 0.000 0.915 257 S HN 0.293 nan 8.310 nan 0.000 0.439 258 K N 1.897 122.184 120.400 -0.188 0.000 1.995 258 K HA 0.070 4.390 4.320 -0.000 0.000 0.207 258 K C 1.668 178.393 176.600 0.208 0.000 1.041 258 K CA 1.340 57.584 56.287 -0.072 0.000 0.942 258 K CB -0.743 31.717 32.500 -0.067 0.000 0.731 258 K HN 0.652 nan 8.250 nan 0.000 0.439 259 N N -0.576 118.353 118.700 0.382 0.000 2.585 259 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 259 N C 0.726 176.339 175.510 0.172 0.000 1.102 259 N CA 0.733 53.952 53.050 0.280 0.000 0.920 259 N CB -0.053 38.566 38.487 0.221 0.000 0.963 259 N HN 0.068 nan 8.380 nan 0.000 0.447 260 F N -0.396 119.658 119.950 0.173 0.000 2.784 260 F HA 0.347 4.874 4.527 -0.000 0.000 0.323 260 F C 1.496 177.285 175.800 -0.018 0.000 1.085 260 F CA 0.147 58.213 58.000 0.111 0.000 1.196 260 F CB 0.921 39.893 39.000 -0.047 0.000 1.053 260 F HN 0.096 nan 8.300 nan 0.000 0.578 261 G N 1.595 110.362 108.800 -0.055 0.000 2.273 261 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.280 261 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.280 261 G C 0.424 175.221 174.900 -0.173 0.000 1.047 261 G CA 0.380 45.331 45.100 -0.248 0.000 0.869 261 G HN 0.394 nan 8.290 nan 0.000 0.502 262 L N -0.476 120.622 121.223 -0.207 0.000 2.928 262 L HA 0.282 4.622 4.340 -0.000 0.000 0.246 262 L C 2.156 179.022 176.870 -0.007 0.000 1.239 262 L CA -0.827 53.994 54.840 -0.031 0.000 1.035 262 L CB -0.312 41.744 42.059 -0.005 0.000 1.360 262 L HN 0.309 nan 8.230 nan 0.000 0.529 263 Y N 1.016 121.374 120.300 0.097 0.000 2.024 263 Y HA -0.425 4.125 4.550 -0.000 0.000 0.257 263 Y C 2.419 178.347 175.900 0.047 0.000 1.233 263 Y CA 2.173 60.312 58.100 0.066 0.000 1.087 263 Y CB -0.849 37.651 38.460 0.066 0.000 0.905 263 Y HN 0.570 nan 8.280 nan 0.000 0.503 264 N N -0.386 118.455 118.700 0.235 0.000 2.461 264 N HA -0.078 4.662 4.740 -0.000 0.000 0.188 264 N C 0.709 176.267 175.510 0.079 0.000 1.134 264 N CA 0.844 53.972 53.050 0.129 0.000 0.878 264 N CB -0.301 38.250 38.487 0.107 0.000 0.972 264 N HN 0.400 nan 8.380 nan 0.000 0.456 265 E N 0.613 120.858 120.200 0.074 0.000 2.472 265 E HA 0.070 4.420 4.350 -0.000 0.000 0.196 265 E C -0.254 176.348 176.600 0.003 0.000 1.033 265 E CA -0.076 56.350 56.400 0.045 0.000 0.886 265 E CB 0.141 29.879 29.700 0.063 0.000 0.944 265 E HN 0.167 nan 8.360 nan 0.000 0.492 266 R N -0.072 120.433 120.500 0.009 0.000 2.994 266 R HA -0.116 4.224 4.340 -0.000 0.000 0.267 266 R C -0.762 175.513 176.300 -0.042 0.000 0.914 266 R CA 0.213 56.301 56.100 -0.019 0.000 0.668 266 R CB -3.080 27.189 30.300 -0.052 0.000 1.524 266 R HN -0.085 nan 8.270 nan 0.000 0.478 267 V N 0.542 120.456 119.914 0.000 0.000 2.334 267 V HA 0.850 4.970 4.120 -0.000 0.000 0.281 267 V C 1.142 177.345 176.094 0.181 0.000 1.016 267 V CA 0.015 62.339 62.300 0.040 0.000 0.832 267 V CB 2.002 33.847 31.823 0.036 0.000 0.999 267 V HN 0.688 nan 8.190 nan 0.000 0.439 268 G N 2.834 111.738 108.800 0.173 0.000 2.788 268 G HA2 0.927 4.887 3.960 -0.000 0.000 0.293 268 G HA3 0.927 4.887 3.960 -0.000 0.000 0.293 268 G C -1.374 173.697 174.900 0.285 0.000 1.392 268 G CA -0.297 44.909 45.100 0.177 0.000 0.810 268 G HN 1.140 nan 8.290 nan 0.000 0.508 269 A N -1.566 121.368 122.820 0.191 0.000 2.547 269 A HA 0.601 4.921 4.320 -0.000 0.000 0.297 269 A C -1.198 176.475 177.584 0.148 0.000 1.056 269 A CA -0.366 51.817 52.037 0.243 0.000 0.688 269 A CB 1.342 20.514 19.000 0.286 0.000 1.282 269 A HN 1.733 nan 8.150 nan 0.000 0.400 270 C N 2.116 121.520 119.300 0.173 0.000 2.301 270 C HA 0.808 5.268 4.460 -0.000 0.000 0.323 270 C C -0.021 175.063 174.990 0.158 0.000 1.265 270 C CA 0.075 59.183 59.018 0.150 0.000 1.503 270 C CB -0.322 27.507 27.740 0.148 0.000 2.195 270 C HN 0.812 nan 8.230 nan 0.000 0.477 271 T N 7.110 121.741 114.554 0.128 0.000 2.779 271 T HA 0.415 4.765 4.350 -0.000 0.000 0.280 271 T C -0.467 174.305 174.700 0.120 0.000 0.987 271 T CA -0.204 61.967 62.100 0.119 0.000 0.966 271 T CB 1.021 69.965 68.868 0.127 0.000 0.933 271 T HN 0.632 nan 8.240 nan 0.000 0.442 272 L N 3.962 125.226 121.223 0.069 0.000 2.289 272 L HA 0.670 5.010 4.340 -0.000 0.000 0.285 272 L C -0.843 176.053 176.870 0.043 0.000 1.049 272 L CA -0.744 54.131 54.840 0.059 0.000 0.804 272 L CB 1.283 43.360 42.059 0.029 0.000 1.195 272 L HN 0.372 nan 8.230 nan 0.000 0.428 273 V N 3.825 123.786 119.914 0.079 0.000 2.531 273 V HA 0.738 4.858 4.120 -0.000 0.000 0.301 273 V C -0.028 176.107 176.094 0.068 0.000 1.034 273 V CA -0.435 61.886 62.300 0.035 0.000 0.865 273 V CB 1.545 33.379 31.823 0.018 0.000 0.995 273 V HN 0.900 nan 8.190 nan 0.000 0.424 274 A N 3.362 126.206 122.820 0.040 0.000 2.389 274 A HA 0.940 5.260 4.320 -0.000 0.000 0.293 274 A C 1.177 178.782 177.584 0.036 0.000 1.186 274 A CA 0.103 52.179 52.037 0.065 0.000 0.828 274 A CB 1.273 20.319 19.000 0.076 0.000 1.369 274 A HN 1.149 nan 8.150 nan 0.000 0.446 275 A N -0.449 122.397 122.820 0.045 0.000 1.908 275 A HA 0.161 4.481 4.320 -0.000 0.000 0.218 275 A C 0.666 178.254 177.584 0.007 0.000 1.181 275 A CA 2.433 54.486 52.037 0.026 0.000 0.627 275 A CB -0.812 18.207 19.000 0.031 0.000 0.818 275 A HN 1.014 nan 8.150 nan 0.000 0.445 276 D N -4.621 115.786 120.400 0.011 0.000 2.744 276 D HA 0.435 5.075 4.640 -0.000 0.000 0.304 276 D C 0.595 176.895 176.300 -0.001 0.000 1.179 276 D CA 0.079 54.079 54.000 -0.000 0.000 1.024 276 D CB 0.711 41.514 40.800 0.005 0.000 1.453 276 D HN -0.134 nan 8.370 nan 0.000 0.529 277 S N -1.220 114.476 115.700 -0.007 0.000 2.383 277 S HA -0.186 4.284 4.470 -0.000 0.000 0.227 277 S C 1.474 176.080 174.600 0.010 0.000 1.026 277 S CA 1.335 59.530 58.200 -0.008 0.000 0.981 277 S CB -0.474 62.718 63.200 -0.012 0.000 0.818 277 S HN 0.504 nan 8.310 nan 0.000 0.472 278 E N 0.569 120.780 120.200 0.019 0.000 2.107 278 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 278 E C 1.833 178.462 176.600 0.048 0.000 0.982 278 E CA 1.465 57.884 56.400 0.032 0.000 0.809 278 E CB -0.606 29.111 29.700 0.028 0.000 0.756 278 E HN 0.543 nan 8.360 nan 0.000 0.459 279 T N 0.845 115.428 114.554 0.048 0.000 2.737 279 T HA -0.097 4.253 4.350 -0.000 0.000 0.265 279 T C 1.942 176.696 174.700 0.091 0.000 1.038 279 T CA 1.248 63.389 62.100 0.069 0.000 1.144 279 T CB -0.403 68.504 68.868 0.065 0.000 0.866 279 T HN 0.038 nan 8.240 nan 0.000 0.434 280 V N 1.777 121.732 119.914 0.069 0.000 2.343 280 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 280 V C 1.978 178.137 176.094 0.108 0.000 1.051 280 V CA 2.085 64.428 62.300 0.072 0.000 1.036 280 V CB -0.555 31.270 31.823 0.003 0.000 0.654 280 V HN 0.394 nan 8.190 nan 0.000 0.451 281 D N -0.579 119.872 120.400 0.086 0.000 2.117 281 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 281 D C 2.321 178.718 176.300 0.161 0.000 0.987 281 D CA 1.413 55.488 54.000 0.125 0.000 0.829 281 D CB -0.251 40.596 40.800 0.078 0.000 0.961 281 D HN 0.358 nan 8.370 nan 0.000 0.460 282 R N 0.206 120.783 120.500 0.127 0.000 2.075 282 R HA -0.035 4.305 4.340 -0.000 0.000 0.232 282 R C 1.991 178.389 176.300 0.164 0.000 1.126 282 R CA 1.353 57.526 56.100 0.123 0.000 0.963 282 R CB -0.107 30.252 30.300 0.098 0.000 0.858 282 R HN 0.154 nan 8.270 nan 0.000 0.435 283 A N -0.087 122.856 122.820 0.206 0.000 1.929 283 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 283 A C 1.863 179.610 177.584 0.271 0.000 1.176 283 A CA 0.742 52.962 52.037 0.305 0.000 0.628 283 A CB -0.589 18.625 19.000 0.357 0.000 0.816 283 A HN 0.471 nan 8.150 nan 0.000 0.444 284 F N 1.827 121.792 119.950 0.025 0.000 2.365 284 F HA -0.133 4.394 4.527 -0.000 0.000 0.300 284 F C 2.640 178.436 175.800 -0.007 0.000 1.090 284 F CA 1.360 59.328 58.000 -0.053 0.000 1.408 284 F CB -0.186 38.792 39.000 -0.037 0.000 1.060 284 F HN 0.330 nan 8.300 nan 0.000 0.534 285 S N -0.771 114.963 115.700 0.057 0.000 2.402 285 S HA -0.185 4.285 4.470 -0.000 0.000 0.229 285 S C 1.875 176.446 174.600 -0.049 0.000 1.021 285 S CA 0.846 59.030 58.200 -0.028 0.000 0.974 285 S CB -0.483 62.743 63.200 0.043 0.000 0.800 285 S HN 0.428 nan 8.310 nan 0.000 0.484 286 Q N 0.550 120.385 119.800 0.058 0.000 2.172 286 Q HA 0.119 4.459 4.340 -0.000 0.000 0.200 286 Q C 2.093 178.151 176.000 0.097 0.000 0.964 286 Q CA 1.198 57.072 55.803 0.118 0.000 0.855 286 Q CB -0.444 28.445 28.738 0.251 0.000 0.918 286 Q HN 0.759 nan 8.270 nan 0.000 0.444 287 M N 0.657 120.235 119.600 -0.037 0.000 2.132 287 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 287 M C 1.665 177.792 176.300 -0.289 0.000 1.065 287 M CA 1.515 56.691 55.300 -0.207 0.000 1.122 287 M CB 0.103 32.380 32.600 -0.538 0.000 1.365 287 M HN -0.048 nan 8.290 nan 0.000 0.411 288 K N 0.250 120.389 120.400 -0.436 0.000 2.147 288 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 288 K C 2.007 178.478 176.600 -0.215 0.000 1.049 288 K CA 1.336 57.403 56.287 -0.367 0.000 0.936 288 K CB -0.338 31.936 32.500 -0.377 0.000 0.722 288 K HN 0.461 nan 8.250 nan 0.000 0.446 289 A N 1.748 124.482 122.820 -0.143 0.000 1.930 289 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 289 A C 2.414 179.945 177.584 -0.088 0.000 1.175 289 A CA 1.668 53.650 52.037 -0.093 0.000 0.627 289 A CB -0.529 18.445 19.000 -0.043 0.000 0.815 289 A HN 0.312 nan 8.150 nan 0.000 0.443 290 A N 0.040 122.824 122.820 -0.061 0.000 1.902 290 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 290 A C 2.107 179.616 177.584 -0.125 0.000 1.181 290 A CA 1.491 53.504 52.037 -0.041 0.000 0.623 290 A CB -0.570 18.457 19.000 0.044 0.000 0.818 290 A HN 0.500 nan 8.150 nan 0.000 0.443 291 I N -1.090 119.358 120.570 -0.205 0.000 2.252 291 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 291 I C 2.648 178.491 176.117 -0.457 0.000 1.102 291 I CA 1.641 62.699 61.300 -0.403 0.000 1.385 291 I CB -0.299 37.465 38.000 -0.392 0.000 1.064 291 I HN 0.294 nan 8.210 nan 0.000 0.414 292 R N 2.038 122.364 120.500 -0.291 0.000 2.105 292 R HA -0.130 4.210 4.340 -0.000 0.000 0.239 292 R C 1.855 178.042 176.300 -0.187 0.000 1.135 292 R CA 1.932 57.894 56.100 -0.230 0.000 0.967 292 R CB -0.587 29.616 30.300 -0.162 0.000 0.861 292 R HN 0.351 nan 8.270 nan 0.000 0.442 293 A N -0.294 122.435 122.820 -0.152 0.000 2.278 293 A HA 0.102 4.422 4.320 -0.000 0.000 0.212 293 A C 1.397 178.927 177.584 -0.089 0.000 1.213 293 A CA 0.412 52.391 52.037 -0.098 0.000 0.840 293 A CB -0.443 18.519 19.000 -0.063 0.000 0.866 293 A HN 0.425 nan 8.150 nan 0.000 0.489 294 N N -0.629 117.978 118.700 -0.156 0.000 2.831 294 N HA 0.045 4.785 4.740 -0.000 0.000 0.233 294 N C 0.879 176.381 175.510 -0.014 0.000 1.031 294 N CA 1.550 54.551 53.050 -0.082 0.000 1.198 294 N CB 0.078 38.507 38.487 -0.096 0.000 1.595 294 N HN 0.449 nan 8.380 nan 0.000 0.588 295 Y N -1.341 118.952 120.300 -0.012 0.000 2.588 295 Y HA 0.577 5.127 4.550 -0.000 0.000 0.247 295 Y C 1.206 177.097 175.900 -0.015 0.000 1.157 295 Y CA 0.328 58.423 58.100 -0.007 0.000 1.215 295 Y CB 0.016 38.476 38.460 -0.001 0.000 1.245 295 Y HN 0.114 nan 8.280 nan 0.000 0.534 296 S N 1.180 116.723 115.700 -0.261 0.000 1.577 296 S HA -0.325 4.145 4.470 -0.000 0.000 0.240 296 S C -0.164 174.341 174.600 -0.159 0.000 0.755 296 S CA 2.069 60.154 58.200 -0.190 0.000 1.398 296 S CB -1.837 61.304 63.200 -0.098 0.000 1.552 296 S HN 1.011 nan 8.310 nan 0.000 0.510 297 N N 1.306 120.041 118.700 0.058 0.000 2.405 297 N HA 0.661 5.401 4.740 -0.000 0.000 0.274 297 N C -3.174 172.540 175.510 0.340 0.000 1.170 297 N CA -1.215 51.924 53.050 0.148 0.000 0.848 297 N CB 1.560 40.092 38.487 0.075 0.000 1.629 297 N HN 0.301 nan 8.380 nan 0.000 0.481 298 P HA 0.224 nan 4.420 nan 0.000 0.272 298 P C -2.486 174.819 177.300 0.009 0.000 1.223 298 P CA -0.814 62.348 63.100 0.104 0.000 0.784 298 P CB -0.032 31.696 31.700 0.047 0.000 0.923 299 P HA 0.075 nan 4.420 nan 0.000 0.271 299 P C 0.478 177.733 177.300 -0.075 0.000 1.233 299 P CA 0.005 63.075 63.100 -0.051 0.000 0.764 299 P CB 0.692 32.349 31.700 -0.071 0.000 0.825 300 A N 3.587 126.383 122.820 -0.040 0.000 1.897 300 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 300 A C 2.246 179.792 177.584 -0.063 0.000 1.181 300 A CA 1.046 53.046 52.037 -0.062 0.000 0.620 300 A CB -1.530 17.454 19.000 -0.027 0.000 0.821 300 A HN 0.724 nan 8.150 nan 0.000 0.443 301 H N -0.153 118.862 119.070 -0.092 0.000 2.265 301 H HA -0.194 4.362 4.556 -0.000 0.000 0.293 301 H C 2.337 177.602 175.328 -0.105 0.000 1.089 301 H CA 2.226 58.224 56.048 -0.082 0.000 1.244 301 H CB -0.437 29.290 29.762 -0.058 0.000 1.355 301 H HN 0.428 nan 8.280 nan 0.000 0.485 302 G N -0.149 108.587 108.800 -0.108 0.000 2.418 302 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 302 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 302 G C 1.939 176.666 174.900 -0.288 0.000 1.158 302 G CA 1.177 46.167 45.100 -0.183 0.000 0.771 302 G HN 0.580 nan 8.290 nan 0.000 0.545 303 A N 0.635 123.265 122.820 -0.317 0.000 1.933 303 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 303 A C 2.696 180.103 177.584 -0.294 0.000 1.175 303 A CA 2.173 53.940 52.037 -0.449 0.000 0.628 303 A CB -0.558 17.962 19.000 -0.799 0.000 0.814 303 A HN 0.306 nan 8.150 nan 0.000 0.444 304 S N -0.401 115.143 115.700 -0.261 0.000 2.356 304 S HA -0.147 4.323 4.470 -0.000 0.000 0.223 304 S C 1.931 176.399 174.600 -0.221 0.000 1.032 304 S CA 1.457 59.542 58.200 -0.191 0.000 1.005 304 S CB -0.532 62.567 63.200 -0.168 0.000 0.867 304 S HN 0.354 nan 8.310 nan 0.000 0.449 305 V N 1.631 121.357 119.914 -0.312 0.000 2.252 305 V HA -0.193 3.927 4.120 -0.000 0.000 0.249 305 V C 2.347 178.214 176.094 -0.379 0.000 1.056 305 V CA 1.754 63.870 62.300 -0.307 0.000 1.022 305 V CB -0.848 30.780 31.823 -0.326 0.000 0.641 305 V HN 0.343 nan 8.190 nan 0.000 0.445 306 V N 0.213 119.794 119.914 -0.555 0.000 2.287 306 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 306 V C 2.700 178.458 176.094 -0.560 0.000 1.053 306 V CA 2.185 63.938 62.300 -0.911 0.000 1.027 306 V CB -1.285 29.854 31.823 -1.140 0.000 0.646 306 V HN 0.583 nan 8.190 nan 0.000 0.447 307 A N 0.014 122.664 122.820 -0.283 0.000 1.883 307 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 307 A C 2.540 180.018 177.584 -0.177 0.000 1.186 307 A CA 2.827 54.764 52.037 -0.168 0.000 0.624 307 A CB -1.141 17.842 19.000 -0.029 0.000 0.822 307 A HN 0.561 nan 8.150 nan 0.000 0.444 308 T N -1.217 113.235 114.554 -0.169 0.000 2.867 308 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 308 T C 1.772 176.367 174.700 -0.176 0.000 1.057 308 T CA 1.537 63.537 62.100 -0.166 0.000 1.136 308 T CB -0.498 68.275 68.868 -0.159 0.000 0.874 308 T HN 0.367 nan 8.240 nan 0.000 0.466 309 I N 0.123 120.581 120.570 -0.185 0.000 2.286 309 I HA -0.026 4.144 4.170 -0.000 0.000 0.245 309 I C 2.137 178.189 176.117 -0.109 0.000 1.104 309 I CA 0.695 61.921 61.300 -0.124 0.000 1.397 309 I CB -0.207 37.742 38.000 -0.084 0.000 1.072 309 I HN 0.247 nan 8.210 nan 0.000 0.417 310 L N -0.034 121.081 121.223 -0.180 0.000 2.376 310 L HA -0.074 4.266 4.340 -0.000 0.000 0.219 310 L C 2.344 179.158 176.870 -0.092 0.000 1.133 310 L CA 1.516 56.272 54.840 -0.141 0.000 0.816 310 L CB -0.645 41.277 42.059 -0.230 0.000 0.933 310 L HN 0.069 nan 8.230 nan 0.000 0.449 311 S N -1.580 114.057 115.700 -0.105 0.000 2.486 311 S HA 0.052 4.522 4.470 -0.000 0.000 0.220 311 S C 0.871 175.426 174.600 -0.074 0.000 1.011 311 S CA -0.089 58.062 58.200 -0.082 0.000 0.921 311 S CB -0.152 62.996 63.200 -0.088 0.000 0.785 311 S HN 0.411 nan 8.310 nan 0.000 0.517 312 N N 1.690 120.339 118.700 -0.085 0.000 2.426 312 N HA 0.166 4.906 4.740 -0.000 0.000 0.257 312 N C 0.176 175.663 175.510 -0.038 0.000 1.002 312 N CA -0.135 52.868 53.050 -0.079 0.000 0.942 312 N CB 0.784 39.200 38.487 -0.119 0.000 1.112 312 N HN -0.134 nan 8.380 nan 0.000 0.499 313 D N 2.561 122.946 120.400 -0.026 0.000 2.149 313 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 313 D C 1.408 177.708 176.300 0.001 0.000 0.990 313 D CA 1.097 55.093 54.000 -0.006 0.000 0.839 313 D CB -0.013 40.782 40.800 -0.008 0.000 0.948 313 D HN 0.685 nan 8.370 nan 0.000 0.460 314 A N 0.077 122.891 122.820 -0.011 0.000 2.067 314 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 314 A C 2.081 179.668 177.584 0.005 0.000 1.158 314 A CA 0.737 52.771 52.037 -0.006 0.000 0.661 314 A CB -0.183 18.808 19.000 -0.015 0.000 0.801 314 A HN 0.123 nan 8.150 nan 0.000 0.452 315 L N -1.145 120.081 121.223 0.005 0.000 2.221 315 L HA 0.139 4.479 4.340 -0.000 0.000 0.202 315 L C 2.345 179.272 176.870 0.095 0.000 1.074 315 L CA 1.484 56.342 54.840 0.030 0.000 0.795 315 L CB -0.577 41.477 42.059 -0.008 0.000 0.960 315 L HN 0.435 nan 8.230 nan 0.000 0.458 316 R N 0.491 121.046 120.500 0.092 0.000 2.094 316 R HA -0.173 4.167 4.340 -0.000 0.000 0.239 316 R C 2.155 178.559 176.300 0.173 0.000 1.137 316 R CA 1.982 58.192 56.100 0.184 0.000 0.943 316 R CB -0.841 29.533 30.300 0.123 0.000 0.850 316 R HN 0.300 nan 8.270 nan 0.000 0.433 317 A N 0.724 123.589 122.820 0.074 0.000 1.892 317 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 317 A C 2.401 179.986 177.584 0.001 0.000 1.188 317 A CA 2.014 54.063 52.037 0.020 0.000 0.631 317 A CB -0.784 18.218 19.000 0.003 0.000 0.822 317 A HN 0.441 nan 8.150 nan 0.000 0.447 318 I N -2.552 118.036 120.570 0.030 0.000 2.226 318 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 318 I C 2.433 178.555 176.117 0.010 0.000 1.100 318 I CA 1.721 63.031 61.300 0.016 0.000 1.374 318 I CB -0.354 37.670 38.000 0.040 0.000 1.057 318 I HN 0.758 nan 8.210 nan 0.000 0.413 319 W N 2.398 123.634 121.300 -0.107 0.000 2.358 319 W HA -0.190 4.470 4.660 0.000 0.000 0.303 319 W C 2.366 178.745 176.519 -0.234 0.000 1.208 319 W CA 1.499 58.734 57.345 -0.184 0.000 1.274 319 W CB -0.271 29.072 29.460 -0.196 0.000 1.138 319 W HN 0.088 nan 8.180 nan 0.000 0.515 320 E N -0.178 119.724 120.200 -0.497 0.000 2.150 320 E HA -0.302 4.048 4.350 -0.000 0.000 0.193 320 E C 1.926 178.208 176.600 -0.529 0.000 0.985 320 E CA 1.449 57.403 56.400 -0.743 0.000 0.814 320 E CB -0.479 28.991 29.700 -0.384 0.000 0.752 320 E HN 0.313 nan 8.360 nan 0.000 0.466 321 Q N 1.707 121.314 119.800 -0.322 0.000 2.050 321 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 321 Q C 1.708 177.541 176.000 -0.278 0.000 0.980 321 Q CA 1.715 57.375 55.803 -0.239 0.000 0.840 321 Q CB -0.015 28.638 28.738 -0.141 0.000 0.898 321 Q HN 0.289 nan 8.270 nan 0.000 0.424 322 E N -0.428 119.591 120.200 -0.302 0.000 2.110 322 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 322 E C 1.863 178.207 176.600 -0.427 0.000 0.988 322 E CA 0.998 57.226 56.400 -0.287 0.000 0.804 322 E CB -0.196 29.382 29.700 -0.203 0.000 0.745 322 E HN 0.293 nan 8.360 nan 0.000 0.458 323 L N 1.016 121.836 121.223 -0.671 0.000 2.017 323 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 323 L C 2.207 178.729 176.870 -0.581 0.000 1.073 323 L CA 1.967 56.347 54.840 -0.766 0.000 0.745 323 L CB -0.875 40.515 42.059 -1.115 0.000 0.894 323 L HN 0.015 nan 8.230 nan 0.000 0.432 324 T N -0.230 114.039 114.554 -0.475 0.000 2.720 324 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 324 T C 1.472 176.030 174.700 -0.238 0.000 1.037 324 T CA 1.598 63.502 62.100 -0.326 0.000 1.144 324 T CB -0.384 68.329 68.868 -0.258 0.000 0.864 324 T HN 0.434 nan 8.240 nan 0.000 0.444 325 D N 0.949 121.218 120.400 -0.218 0.000 2.178 325 D HA -0.032 4.608 4.640 -0.000 0.000 0.201 325 D C 2.045 178.282 176.300 -0.105 0.000 0.980 325 D CA 0.994 54.916 54.000 -0.129 0.000 0.842 325 D CB -0.220 40.521 40.800 -0.099 0.000 0.948 325 D HN 0.444 nan 8.370 nan 0.000 0.472 326 M N -0.050 119.410 119.600 -0.234 0.000 2.156 326 M HA -0.055 4.425 4.480 -0.000 0.000 0.264 326 M C 2.378 178.644 176.300 -0.058 0.000 1.067 326 M CA 0.861 55.998 55.300 -0.272 0.000 1.131 326 M CB -0.133 32.063 32.600 -0.673 0.000 1.368 326 M HN -0.124 nan 8.290 nan 0.000 0.416 327 R N 0.731 121.130 120.500 -0.168 0.000 2.081 327 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 327 R C 2.023 178.321 176.300 -0.004 0.000 1.131 327 R CA 1.670 57.727 56.100 -0.071 0.000 0.960 327 R CB -0.065 30.122 30.300 -0.189 0.000 0.856 327 R HN 0.451 nan 8.270 nan 0.000 0.436 328 Q N -0.425 119.354 119.800 -0.035 0.000 2.123 328 Q HA -0.114 4.226 4.340 -0.000 0.000 0.199 328 Q C 2.167 178.185 176.000 0.031 0.000 0.966 328 Q CA 1.131 56.929 55.803 -0.008 0.000 0.845 328 Q CB -0.031 28.688 28.738 -0.031 0.000 0.907 328 Q HN 0.274 nan 8.270 nan 0.000 0.439 329 R N 0.681 121.220 120.500 0.065 0.000 2.115 329 R HA -0.081 4.259 4.340 -0.000 0.000 0.230 329 R C 1.936 178.291 176.300 0.091 0.000 1.111 329 R CA 0.908 57.064 56.100 0.093 0.000 0.976 329 R CB -0.026 30.373 30.300 0.164 0.000 0.870 329 R HN 0.266 nan 8.270 nan 0.000 0.445 330 I N 0.479 121.122 120.570 0.122 0.000 2.546 330 I HA -0.228 3.942 4.170 -0.000 0.000 0.255 330 I C 2.097 178.247 176.117 0.055 0.000 1.163 330 I CA 1.077 62.431 61.300 0.091 0.000 1.457 330 I CB -0.171 37.905 38.000 0.126 0.000 1.092 330 I HN 0.267 nan 8.210 nan 0.000 0.434 331 Q N 0.519 120.351 119.800 0.053 0.000 2.123 331 Q HA -0.132 4.208 4.340 -0.000 0.000 0.199 331 Q C 2.277 178.301 176.000 0.039 0.000 0.966 331 Q CA 1.092 56.921 55.803 0.044 0.000 0.845 331 Q CB -0.087 28.672 28.738 0.034 0.000 0.907 331 Q HN 0.411 nan 8.270 nan 0.000 0.439 332 R N -0.325 120.195 120.500 0.034 0.000 2.148 332 R HA -0.007 4.332 4.340 -0.000 0.000 0.227 332 R C 2.019 178.339 176.300 0.033 0.000 1.103 332 R CA 0.914 57.032 56.100 0.029 0.000 0.983 332 R CB 0.108 30.422 30.300 0.023 0.000 0.874 332 R HN 0.224 nan 8.270 nan 0.000 0.451 333 M N -0.617 119.002 119.600 0.032 0.000 2.287 333 M HA -0.015 4.465 4.480 -0.000 0.000 0.266 333 M C 2.069 178.412 176.300 0.072 0.000 1.079 333 M CA 1.220 56.538 55.300 0.029 0.000 1.146 333 M CB -0.588 32.004 32.600 -0.014 0.000 1.374 333 M HN 0.055 nan 8.290 nan 0.000 0.435 334 R N 0.341 120.883 120.500 0.069 0.000 2.083 334 R HA -0.248 4.092 4.340 -0.000 0.000 0.237 334 R C 2.277 178.646 176.300 0.116 0.000 1.137 334 R CA 2.148 58.317 56.100 0.115 0.000 0.951 334 R CB -0.140 30.209 30.300 0.082 0.000 0.851 334 R HN 0.264 nan 8.270 nan 0.000 0.434 335 Q N 0.542 120.382 119.800 0.066 0.000 2.020 335 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 335 Q C 1.980 178.001 176.000 0.035 0.000 0.982 335 Q CA 1.745 57.571 55.803 0.037 0.000 0.838 335 Q CB -0.479 28.274 28.738 0.025 0.000 0.899 335 Q HN 0.360 nan 8.270 nan 0.000 0.423 336 L N -0.043 121.210 121.223 0.050 0.000 2.079 336 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 336 L C 2.060 178.977 176.870 0.078 0.000 1.081 336 L CA 1.801 56.669 54.840 0.047 0.000 0.752 336 L CB -0.902 41.184 42.059 0.045 0.000 0.896 336 L HN 0.427 nan 8.230 nan 0.000 0.433 337 F N -0.741 119.170 119.950 -0.065 0.000 2.134 337 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 337 F C 2.171 177.896 175.800 -0.124 0.000 1.097 337 F CA 1.853 59.795 58.000 -0.096 0.000 1.264 337 F CB -0.737 38.206 39.000 -0.095 0.000 1.001 337 F HN -0.063 nan 8.300 nan 0.000 0.479 338 V N 0.764 120.542 119.914 -0.227 0.000 2.427 338 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 338 V C 2.263 178.226 176.094 -0.219 0.000 1.051 338 V CA 1.962 64.068 62.300 -0.322 0.000 1.048 338 V CB -0.794 30.929 31.823 -0.167 0.000 0.666 338 V HN 0.334 nan 8.190 nan 0.000 0.456 339 N N 0.172 118.799 118.700 -0.121 0.000 2.188 339 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 339 N C 1.915 177.368 175.510 -0.095 0.000 1.018 339 N CA 1.896 54.897 53.050 -0.083 0.000 0.858 339 N CB -0.428 38.035 38.487 -0.041 0.000 0.989 339 N HN 0.460 nan 8.380 nan 0.000 0.426 340 T N 1.807 116.299 114.554 -0.102 0.000 2.857 340 T HA 0.053 4.403 4.350 -0.000 0.000 0.266 340 T C 2.160 176.772 174.700 -0.147 0.000 1.048 340 T CA 0.398 62.444 62.100 -0.089 0.000 1.139 340 T CB -0.170 68.676 68.868 -0.037 0.000 0.874 340 T HN 0.125 nan 8.240 nan 0.000 0.455 341 L N 0.997 122.054 121.223 -0.276 0.000 2.079 341 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 341 L C 3.479 180.234 176.870 -0.191 0.000 1.081 341 L CA 1.912 56.545 54.840 -0.345 0.000 0.752 341 L CB -0.941 40.711 42.059 -0.678 0.000 0.896 341 L HN 0.388 nan 8.230 nan 0.000 0.433 342 Q N 0.083 119.800 119.800 -0.139 0.000 2.083 342 Q HA -0.269 4.071 4.340 -0.000 0.000 0.198 342 Q C 2.009 177.976 176.000 -0.054 0.000 0.969 342 Q CA 1.686 57.449 55.803 -0.067 0.000 0.838 342 Q CB -0.768 27.940 28.738 -0.050 0.000 0.900 342 Q HN 0.613 nan 8.270 nan 0.000 0.436 343 E N -0.350 119.814 120.200 -0.060 0.000 2.153 343 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 343 E C 1.422 177.998 176.600 -0.040 0.000 0.988 343 E CA 1.216 57.590 56.400 -0.042 0.000 0.811 343 E CB 0.125 29.802 29.700 -0.038 0.000 0.746 343 E HN 0.367 nan 8.360 nan 0.000 0.466 344 K N -0.962 119.404 120.400 -0.056 0.000 2.458 344 K HA 0.131 4.451 4.320 -0.000 0.000 0.194 344 K C 0.368 176.942 176.600 -0.043 0.000 1.024 344 K CA 0.667 56.924 56.287 -0.050 0.000 1.108 344 K CB 0.711 33.171 32.500 -0.067 0.000 0.846 344 K HN 0.257 nan 8.250 nan 0.000 0.518 345 G N -0.466 108.312 108.800 -0.037 0.000 2.130 345 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 345 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 345 G C 0.101 174.996 174.900 -0.009 0.000 0.999 345 G CA -0.131 44.958 45.100 -0.019 0.000 0.686 345 G HN 0.448 nan 8.290 nan 0.000 0.515 346 A N 0.401 123.212 122.820 -0.014 0.000 2.520 346 A HA 0.517 4.837 4.320 -0.000 0.000 0.245 346 A C 0.939 178.566 177.584 0.071 0.000 1.072 346 A CA 0.629 52.689 52.037 0.039 0.000 0.761 346 A CB -0.071 18.959 19.000 0.049 0.000 1.004 346 A HN 1.261 nan 8.150 nan 0.000 0.499 347 N N 0.746 119.497 118.700 0.085 0.000 3.209 347 N HA 0.498 5.238 4.740 -0.000 0.000 0.309 347 N C -0.041 175.506 175.510 0.063 0.000 1.384 347 N CA 0.161 53.246 53.050 0.059 0.000 1.173 347 N CB 0.234 38.747 38.487 0.042 0.000 1.460 347 N HN 0.901 nan 8.380 nan 0.000 0.534 348 R N 0.103 120.651 120.500 0.081 0.000 2.774 348 R HA 0.277 4.617 4.340 -0.000 0.000 0.279 348 R C -2.240 174.058 176.300 -0.003 0.000 1.022 348 R CA -0.763 55.337 56.100 -0.001 0.000 0.855 348 R CB 0.248 30.482 30.300 -0.109 0.000 1.279 348 R HN 0.461 nan 8.270 nan 0.000 0.485 349 D N 0.095 120.434 120.400 -0.101 0.000 2.412 349 D HA 0.535 5.175 4.640 -0.000 0.000 0.224 349 D C -0.629 175.554 176.300 -0.195 0.000 1.093 349 D CA -0.183 53.783 54.000 -0.057 0.000 0.850 349 D CB 0.378 41.177 40.800 -0.001 0.000 1.046 349 D HN 0.386 nan 8.370 nan 0.000 0.507 350 F N 2.356 122.169 119.950 -0.229 0.000 2.668 350 F HA 0.176 4.703 4.527 -0.000 0.000 0.297 350 F C 2.228 177.609 175.800 -0.697 0.000 1.124 350 F CA -0.286 57.341 58.000 -0.622 0.000 1.353 350 F CB 0.299 38.956 39.000 -0.572 0.000 0.992 350 F HN 0.361 nan 8.300 nan 0.000 0.524 351 S N 0.482 116.047 115.700 -0.224 0.000 2.419 351 S HA -0.214 4.256 4.470 -0.000 0.000 0.233 351 S C 2.097 176.630 174.600 -0.113 0.000 1.016 351 S CA 1.288 59.414 58.200 -0.123 0.000 0.974 351 S CB -0.473 62.717 63.200 -0.016 0.000 0.786 351 S HN 0.528 nan 8.310 nan 0.000 0.492 352 F N 0.193 120.124 119.950 -0.031 0.000 2.641 352 F HA 0.241 4.768 4.527 -0.000 0.000 0.298 352 F C 1.368 177.205 175.800 0.060 0.000 1.146 352 F CA 0.212 58.205 58.000 -0.011 0.000 1.464 352 F CB -0.698 38.212 39.000 -0.149 0.000 1.101 352 F HN 0.189 nan 8.300 nan 0.000 0.585 353 I N 0.448 120.808 120.570 -0.350 0.000 3.059 353 I HA -0.138 4.032 4.170 -0.000 0.000 0.270 353 I C 1.908 178.054 176.117 0.049 0.000 1.238 353 I CA 0.286 61.529 61.300 -0.095 0.000 1.478 353 I CB -0.238 37.663 38.000 -0.164 0.000 1.097 353 I HN 0.154 nan 8.210 nan 0.000 0.455 354 I N 1.468 122.053 120.570 0.025 0.000 2.761 354 I HA -0.169 4.001 4.170 -0.000 0.000 0.261 354 I C 2.805 178.973 176.117 0.086 0.000 1.198 354 I CA 1.061 62.393 61.300 0.053 0.000 1.482 354 I CB -1.512 36.507 38.000 0.031 0.000 1.100 354 I HN 0.197 nan 8.210 nan 0.000 0.445 355 K N 0.846 121.317 120.400 0.118 0.000 2.459 355 K HA 0.029 4.349 4.320 -0.000 0.000 0.193 355 K C 1.099 177.792 176.600 0.154 0.000 1.030 355 K CA 0.247 56.614 56.287 0.133 0.000 1.026 355 K CB -0.612 31.979 32.500 0.152 0.000 0.809 355 K HN 0.441 nan 8.250 nan 0.000 0.504 356 Q N 0.229 120.134 119.800 0.175 0.000 2.306 356 Q HA 0.264 4.604 4.340 -0.000 0.000 0.241 356 Q C -0.807 175.275 176.000 0.137 0.000 0.948 356 Q CA -0.354 55.559 55.803 0.182 0.000 0.886 356 Q CB 0.929 29.802 28.738 0.225 0.000 1.227 356 Q HN 0.572 nan 8.270 nan 0.000 0.457 357 N N -0.307 118.473 118.700 0.134 0.000 2.384 357 N HA 0.626 5.365 4.740 -0.000 0.000 0.301 357 N C -0.279 175.264 175.510 0.056 0.000 1.133 357 N CA -0.045 53.071 53.050 0.110 0.000 0.853 357 N CB 1.685 40.257 38.487 0.142 0.000 1.241 357 N HN 0.759 nan 8.380 nan 0.000 0.502 358 G N 0.456 109.271 108.800 0.026 0.000 2.482 358 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.214 358 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.214 358 G C 0.354 175.124 174.900 -0.217 0.000 1.271 358 G CA -0.246 44.782 45.100 -0.119 0.000 0.944 358 G HN 0.470 nan 8.290 nan 0.000 0.568 359 M N -0.210 119.056 119.600 -0.556 0.000 2.486 359 M HA 0.327 4.807 4.480 -0.000 0.000 0.264 359 M C 0.667 176.581 176.300 -0.643 0.000 1.125 359 M CA 0.808 55.711 55.300 -0.663 0.000 1.144 359 M CB 0.118 32.117 32.600 -1.001 0.000 1.353 359 M HN 0.262 nan 8.290 nan 0.000 0.466 360 F N 0.514 120.391 119.950 -0.122 0.000 2.403 360 F HA 0.505 5.032 4.527 -0.000 0.000 0.326 360 F C 0.675 176.490 175.800 0.025 0.000 1.099 360 F CA -1.212 56.760 58.000 -0.048 0.000 1.036 360 F CB 0.776 39.748 39.000 -0.048 0.000 1.336 360 F HN -0.101 nan 8.300 nan 0.000 0.497 361 S N -0.168 115.735 115.700 0.339 0.000 2.562 361 S HA 0.458 4.928 4.470 -0.000 0.000 0.274 361 S C -1.565 173.302 174.600 0.446 0.000 1.160 361 S CA -0.718 57.681 58.200 0.331 0.000 0.933 361 S CB 0.812 64.175 63.200 0.271 0.000 1.100 361 S HN 0.359 nan 8.310 nan 0.000 0.468 362 F N 4.287 124.386 119.950 0.248 0.000 2.462 362 F HA 0.367 4.894 4.527 -0.000 0.000 0.354 362 F C 1.912 177.950 175.800 0.397 0.000 1.192 362 F CA -0.998 57.130 58.000 0.215 0.000 1.173 362 F CB 0.527 39.560 39.000 0.054 0.000 1.402 362 F HN 0.917 nan 8.300 nan 0.000 0.595 363 S N 2.688 118.621 115.700 0.389 0.000 2.359 363 S HA -0.024 4.446 4.470 -0.000 0.000 0.224 363 S C 1.870 176.753 174.600 0.471 0.000 1.035 363 S CA 1.291 59.766 58.200 0.459 0.000 1.018 363 S CB -0.597 62.805 63.200 0.336 0.000 0.876 363 S HN 1.257 nan 8.310 nan 0.000 0.448 364 G N -0.067 108.831 108.800 0.165 0.000 2.231 364 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.206 364 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.206 364 G C -0.186 174.754 174.900 0.067 0.000 0.996 364 G CA -0.076 45.086 45.100 0.102 0.000 0.645 364 G HN 0.482 nan 8.290 nan 0.000 0.498 365 L N 2.578 123.861 121.223 0.100 0.000 2.483 365 L HA 0.495 4.835 4.340 -0.000 0.000 0.276 365 L C 1.638 178.514 176.870 0.010 0.000 1.213 365 L CA 0.788 55.674 54.840 0.077 0.000 0.843 365 L CB 0.443 42.556 42.059 0.090 0.000 1.107 365 L HN 0.501 nan 8.230 nan 0.000 0.487 366 T N -1.089 113.476 114.554 0.019 0.000 2.874 366 T HA 0.483 4.833 4.350 -0.000 0.000 0.281 366 T C 1.272 175.976 174.700 0.007 0.000 0.994 366 T CA -0.143 61.959 62.100 0.004 0.000 1.015 366 T CB 0.881 69.756 68.868 0.012 0.000 1.028 366 T HN 0.631 nan 8.240 nan 0.000 0.523 367 K N 0.861 121.263 120.400 0.003 0.000 2.074 367 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 367 K C 2.012 178.619 176.600 0.012 0.000 1.048 367 K CA 2.404 58.695 56.287 0.007 0.000 0.926 367 K CB -1.515 30.989 32.500 0.008 0.000 0.713 367 K HN 0.878 nan 8.250 nan 0.000 0.444 368 E N 0.616 120.824 120.200 0.014 0.000 2.110 368 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 368 E C 2.347 178.963 176.600 0.027 0.000 0.988 368 E CA 1.526 57.937 56.400 0.018 0.000 0.804 368 E CB -0.110 29.602 29.700 0.019 0.000 0.745 368 E HN 0.775 nan 8.360 nan 0.000 0.458 369 Q N 0.010 119.829 119.800 0.031 0.000 2.083 369 Q HA -0.065 4.275 4.340 -0.000 0.000 0.198 369 Q C 2.282 178.305 176.000 0.039 0.000 0.969 369 Q CA 1.245 57.074 55.803 0.043 0.000 0.838 369 Q CB -0.051 28.715 28.738 0.048 0.000 0.900 369 Q HN 0.151 nan 8.270 nan 0.000 0.436 370 V N 1.136 121.066 119.914 0.027 0.000 2.392 370 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 370 V C 2.135 178.228 176.094 -0.001 0.000 1.059 370 V CA 1.374 63.684 62.300 0.017 0.000 1.051 370 V CB -0.456 31.376 31.823 0.014 0.000 0.658 370 V HN 0.297 nan 8.190 nan 0.000 0.455 371 L N 0.179 121.403 121.223 0.002 0.000 2.027 371 L HA -0.104 4.235 4.340 -0.000 0.000 0.206 371 L C 2.561 179.429 176.870 -0.005 0.000 1.074 371 L CA 2.058 56.891 54.840 -0.013 0.000 0.745 371 L CB -0.701 41.357 42.059 -0.003 0.000 0.898 371 L HN 0.185 nan 8.230 nan 0.000 0.433 372 R N -0.892 119.629 120.500 0.034 0.000 2.096 372 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 372 R C 2.282 178.672 176.300 0.149 0.000 1.127 372 R CA 1.500 57.645 56.100 0.076 0.000 0.968 372 R CB -0.334 30.033 30.300 0.111 0.000 0.861 372 R HN 0.412 nan 8.270 nan 0.000 0.440 373 L N 0.064 121.368 121.223 0.134 0.000 2.042 373 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 373 L C 2.861 179.779 176.870 0.081 0.000 1.076 373 L CA 1.573 56.517 54.840 0.173 0.000 0.749 373 L CB -0.436 41.655 42.059 0.052 0.000 0.893 373 L HN 0.275 nan 8.230 nan 0.000 0.432 374 R N 0.228 120.672 120.500 -0.093 0.000 2.057 374 R HA -0.164 4.176 4.340 -0.000 0.000 0.229 374 R C 2.457 178.642 176.300 -0.193 0.000 1.136 374 R CA 1.708 57.606 56.100 -0.338 0.000 0.952 374 R CB -0.257 29.754 30.300 -0.482 0.000 0.848 374 R HN 0.350 nan 8.270 nan 0.000 0.430 375 E N 1.406 121.541 120.200 -0.107 0.000 2.058 375 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 375 E C 1.713 178.254 176.600 -0.099 0.000 0.997 375 E CA 1.844 58.197 56.400 -0.077 0.000 0.801 375 E CB -0.473 29.195 29.700 -0.053 0.000 0.746 375 E HN 0.747 nan 8.360 nan 0.000 0.450 376 E N -1.908 118.211 120.200 -0.136 0.000 2.307 376 E HA 0.176 4.526 4.350 -0.000 0.000 0.195 376 E C 1.293 177.551 176.600 -0.570 0.000 0.975 376 E CA 0.485 56.658 56.400 -0.379 0.000 0.878 376 E CB 0.276 29.645 29.700 -0.553 0.000 0.845 376 E HN 0.595 nan 8.360 nan 0.000 0.488 377 F N -0.306 119.637 119.950 -0.011 0.000 2.706 377 F HA 0.328 4.855 4.527 -0.000 0.000 0.308 377 F C 1.332 177.153 175.800 0.035 0.000 1.095 377 F CA 0.172 58.178 58.000 0.011 0.000 1.244 377 F CB 1.204 40.211 39.000 0.012 0.000 1.063 377 F HN 0.005 nan 8.300 nan 0.000 0.582 378 G N 1.563 110.453 108.800 0.150 0.000 2.221 378 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.265 378 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.265 378 G C -0.304 174.780 174.900 0.307 0.000 1.041 378 G CA 0.169 45.391 45.100 0.203 0.000 0.807 378 G HN 0.170 nan 8.290 nan 0.000 0.502 379 V N 0.838 120.858 119.914 0.177 0.000 2.347 379 V HA 0.505 4.625 4.120 -0.000 0.000 0.280 379 V C -0.183 175.970 176.094 0.098 0.000 1.021 379 V CA -0.992 61.428 62.300 0.200 0.000 0.847 379 V CB 0.881 32.774 31.823 0.117 0.000 0.990 379 V HN 0.254 nan 8.190 nan 0.000 0.444 380 Y N 3.495 123.860 120.300 0.110 0.000 2.341 380 Y HA 0.731 5.281 4.550 -0.000 0.000 0.340 380 Y C 0.490 176.396 175.900 0.011 0.000 0.997 380 Y CA -0.283 57.861 58.100 0.073 0.000 1.149 380 Y CB 1.607 40.125 38.460 0.096 0.000 1.171 380 Y HN 0.731 nan 8.280 nan 0.000 0.494 381 A N 2.001 124.891 122.820 0.117 0.000 2.566 381 A HA 0.774 5.094 4.320 -0.000 0.000 0.292 381 A C -1.325 176.304 177.584 0.076 0.000 1.112 381 A CA -0.846 51.240 52.037 0.082 0.000 0.707 381 A CB 0.784 19.818 19.000 0.057 0.000 1.302 381 A HN 0.409 nan 8.150 nan 0.000 0.409 382 V N 1.499 121.454 119.914 0.067 0.000 2.715 382 V HA 0.320 4.440 4.120 -0.000 0.000 0.299 382 V C 1.841 177.964 176.094 0.048 0.000 1.054 382 V CA 0.704 63.037 62.300 0.055 0.000 1.077 382 V CB 0.968 32.813 31.823 0.037 0.000 0.972 382 V HN 1.348 nan 8.190 nan 0.000 0.484 383 A N 3.689 126.532 122.820 0.038 0.000 1.986 383 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 383 A C 2.248 179.848 177.584 0.027 0.000 1.171 383 A CA 2.150 54.204 52.037 0.028 0.000 0.640 383 A CB -0.643 18.370 19.000 0.022 0.000 0.811 383 A HN 1.135 nan 8.150 nan 0.000 0.451 384 S N -1.767 113.963 115.700 0.050 0.000 2.603 384 S HA 0.311 4.781 4.470 -0.000 0.000 0.229 384 S C 1.424 176.013 174.600 -0.018 0.000 0.972 384 S CA 1.109 59.349 58.200 0.066 0.000 0.935 384 S CB -0.583 62.730 63.200 0.189 0.000 0.769 384 S HN 2.013 nan 8.310 nan 0.000 0.536 385 G N 1.172 109.976 108.800 0.006 0.000 2.132 385 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.234 385 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.234 385 G C -0.001 174.938 174.900 0.065 0.000 0.989 385 G CA 0.011 45.099 45.100 -0.020 0.000 0.676 385 G HN 0.728 nan 8.290 nan 0.000 0.522 386 R N 0.129 120.727 120.500 0.163 0.000 2.340 386 R HA 0.546 4.886 4.340 -0.000 0.000 0.300 386 R C -0.414 175.986 176.300 0.166 0.000 1.069 386 R CA -0.203 56.043 56.100 0.243 0.000 0.984 386 R CB 0.798 31.176 30.300 0.130 0.000 1.003 386 R HN 0.087 nan 8.270 nan 0.000 0.459 387 V N 4.017 124.057 119.914 0.210 0.000 2.680 387 V HA 0.155 4.275 4.120 -0.000 0.000 0.309 387 V C -0.395 175.819 176.094 0.200 0.000 1.052 387 V CA -1.011 61.372 62.300 0.139 0.000 0.908 387 V CB 1.871 33.714 31.823 0.032 0.000 1.001 387 V HN 0.754 nan 8.190 nan 0.000 0.431 388 N N 3.276 122.057 118.700 0.134 0.000 2.482 388 N HA 0.169 4.909 4.740 -0.000 0.000 0.242 388 N C 0.689 176.124 175.510 -0.125 0.000 1.100 388 N CA -0.046 53.039 53.050 0.058 0.000 0.946 388 N CB 1.262 39.779 38.487 0.051 0.000 1.227 388 N HN 0.387 nan 8.380 nan 0.000 0.508 389 V N 2.841 122.660 119.914 -0.158 0.000 2.594 389 V HA -0.212 3.908 4.120 -0.000 0.000 0.253 389 V C 2.127 178.116 176.094 -0.174 0.000 1.069 389 V CA 2.033 64.213 62.300 -0.201 0.000 1.082 389 V CB -0.986 30.759 31.823 -0.131 0.000 0.680 389 V HN 0.755 nan 8.190 nan 0.000 0.469 390 A N 0.370 123.084 122.820 -0.178 0.000 2.172 390 A HA 0.082 4.402 4.320 -0.000 0.000 0.216 390 A C 2.148 179.597 177.584 -0.224 0.000 1.154 390 A CA 1.317 53.261 52.037 -0.156 0.000 0.701 390 A CB -0.549 18.389 19.000 -0.104 0.000 0.789 390 A HN 0.552 nan 8.150 nan 0.000 0.465 391 G N -1.207 107.473 108.800 -0.199 0.000 3.088 391 G HA2 0.355 4.315 3.960 -0.000 0.000 0.217 391 G HA3 0.355 4.315 3.960 -0.000 0.000 0.217 391 G C 0.478 175.273 174.900 -0.176 0.000 1.159 391 G CA -0.362 44.620 45.100 -0.196 0.000 0.760 391 G HN 0.434 nan 8.290 nan 0.000 0.550 392 M N 2.005 121.498 119.600 -0.179 0.000 2.233 392 M HA 0.399 4.879 4.480 -0.000 0.000 0.355 392 M C 0.127 176.358 176.300 -0.116 0.000 1.191 392 M CA -0.199 55.010 55.300 -0.152 0.000 1.101 392 M CB 1.666 34.151 32.600 -0.193 0.000 1.592 392 M HN 0.090 nan 8.290 nan 0.000 0.461 393 T N -0.764 113.740 114.554 -0.083 0.000 2.916 393 T HA 0.491 4.841 4.350 -0.000 0.000 0.292 393 T C -2.488 172.193 174.700 -0.032 0.000 1.064 393 T CA -1.918 60.145 62.100 -0.061 0.000 1.011 393 T CB 1.864 70.696 68.868 -0.060 0.000 1.152 393 T HN 0.266 nan 8.240 nan 0.000 0.510 394 P HA -0.070 nan 4.420 nan 0.000 0.217 394 P C 0.633 177.931 177.300 -0.004 0.000 1.148 394 P CA 1.130 64.226 63.100 -0.007 0.000 0.828 394 P CB 0.013 31.710 31.700 -0.005 0.000 0.783 395 D N -1.484 118.912 120.400 -0.007 0.000 2.183 395 D HA -0.100 4.540 4.640 -0.000 0.000 0.203 395 D C 1.376 177.678 176.300 0.004 0.000 0.969 395 D CA 0.999 54.998 54.000 -0.000 0.000 0.842 395 D CB -0.616 40.184 40.800 -0.000 0.000 0.957 395 D HN 0.315 nan 8.370 nan 0.000 0.484 396 N N -0.571 118.128 118.700 -0.002 0.000 2.280 396 N HA 0.013 4.753 4.740 -0.000 0.000 0.192 396 N C 1.330 176.842 175.510 0.004 0.000 1.109 396 N CA 0.070 53.123 53.050 0.005 0.000 0.855 396 N CB -0.219 38.269 38.487 0.002 0.000 0.974 396 N HN -0.017 nan 8.380 nan 0.000 0.482 397 M N 1.118 120.720 119.600 0.004 0.000 2.080 397 M HA 0.053 4.533 4.480 -0.000 0.000 0.260 397 M C 1.919 178.236 176.300 0.029 0.000 1.068 397 M CA 1.560 56.873 55.300 0.022 0.000 1.109 397 M CB -0.630 31.988 32.600 0.030 0.000 1.342 397 M HN 0.297 nan 8.290 nan 0.000 0.405 398 A N 0.065 122.894 122.820 0.016 0.000 1.845 398 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 398 A C -0.157 177.430 177.584 0.006 0.000 1.195 398 A CA 1.792 53.834 52.037 0.008 0.000 0.616 398 A CB -2.296 16.708 19.000 0.007 0.000 0.832 398 A HN 0.447 nan 8.150 nan 0.000 0.443 399 P HA -0.180 nan 4.420 nan 0.000 0.216 399 P C 1.809 179.112 177.300 0.005 0.000 1.153 399 P CA 1.036 64.151 63.100 0.024 0.000 0.858 399 P CB -0.158 31.569 31.700 0.044 0.000 0.789 400 L N -0.912 120.317 121.223 0.010 0.000 2.012 400 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 400 L C 1.873 178.735 176.870 -0.013 0.000 1.073 400 L CA 1.998 56.839 54.840 0.002 0.000 0.748 400 L CB -0.782 41.280 42.059 0.005 0.000 0.891 400 L HN 0.037 nan 8.230 nan 0.000 0.431 401 C N 0.086 119.389 119.300 0.005 0.000 2.446 401 C HA -0.070 4.390 4.460 -0.000 0.000 0.279 401 C C 2.457 177.383 174.990 -0.106 0.000 1.366 401 C CA 0.436 59.433 59.018 -0.035 0.000 1.763 401 C CB -0.788 26.927 27.740 -0.042 0.000 1.929 401 C HN 0.569 nan 8.230 nan 0.000 0.509 402 E N 1.322 121.464 120.200 -0.096 0.000 2.072 402 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 402 E C 2.388 178.835 176.600 -0.255 0.000 0.985 402 E CA 1.320 57.649 56.400 -0.119 0.000 0.801 402 E CB -0.230 29.435 29.700 -0.059 0.000 0.750 402 E HN 0.665 nan 8.360 nan 0.000 0.452 403 A N 1.288 123.890 122.820 -0.362 0.000 1.877 403 A HA -0.186 4.133 4.320 -0.000 0.000 0.216 403 A C 2.184 179.401 177.584 -0.612 0.000 1.186 403 A CA 1.151 52.685 52.037 -0.838 0.000 0.620 403 A CB -0.602 18.020 19.000 -0.631 0.000 0.822 403 A HN 0.126 nan 8.150 nan 0.000 0.443 404 I N -0.595 119.795 120.570 -0.301 0.000 2.142 404 I HA -0.222 3.948 4.170 -0.000 0.000 0.240 404 I C 2.386 178.410 176.117 -0.155 0.000 1.078 404 I CA 1.246 62.437 61.300 -0.182 0.000 1.343 404 I CB -0.416 37.511 38.000 -0.121 0.000 1.046 404 I HN 0.152 nan 8.210 nan 0.000 0.405 405 V N 1.232 121.051 119.914 -0.158 0.000 2.324 405 V HA -0.270 3.850 4.120 -0.000 0.000 0.250 405 V C 1.684 177.733 176.094 -0.076 0.000 1.060 405 V CA 1.460 63.703 62.300 -0.096 0.000 1.042 405 V CB -1.131 30.636 31.823 -0.092 0.000 0.650 405 V HN 0.476 nan 8.190 nan 0.000 0.450 409 L N 0.000 121.241 121.223 0.030 0.000 2.949 409 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 409 L CA 0.000 54.879 54.840 0.065 0.000 0.813 409 L CB 0.000 42.106 42.059 0.079 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502