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 3pxf_1_A DATA FIRST_RESID -3 DATA SEQUENCE SPEFMENFQK VEKIGEGTYG VVYKARNKLT GEVVALKKIR LDTETEGVPS DATA SEQUENCE TAIREISLLK ELNHPNIVKL LDVIHTENKL YLVFEFLHQD LKKFMDASAL DATA SEQUENCE TGIPLPLIKS YLFQLLQGLA FCHSHRVLHR DLKPQNLLIN TEGAIKLADF DATA SEQUENCE GLARAFGVPV RTYTHEVVTL WYRAPEILLG CKYYSTAVDI WSLGCIFAEM DATA SEQUENCE VTRRALFPGD SEIDQLFRIF RTLGTPDEVV WPGVTSMPDY KPSFPKWARQ DATA SEQUENCE DFSKVVPPLD EDGRSLLSQM LHYDPNKRIS AKAALAHPFF QDVTKPVPHL DATA SEQUENCE RL 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 -3 S HA 0.000 nan 4.470 nan 0.000 0.327 -3 S C 0.000 174.569 174.600 -0.052 0.000 1.055 -3 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 -3 S CB 0.000 63.204 63.200 0.007 0.000 0.593 -2 P HA 0.304 nan 4.420 nan 0.000 0.267 -2 P C -0.600 176.485 177.300 -0.358 0.000 1.200 -2 P CA 0.024 62.967 63.100 -0.262 0.000 0.772 -2 P CB 0.418 31.880 31.700 -0.397 0.000 0.855 -1 E N 1.001 120.998 120.200 -0.339 0.000 2.277 -1 E HA 0.464 4.814 4.350 -0.000 0.000 0.274 -1 E C -0.757 175.594 176.600 -0.415 0.000 1.022 -1 E CA -0.373 55.896 56.400 -0.219 0.000 0.853 -1 E CB 0.839 30.547 29.700 0.014 0.000 1.086 -1 E HN 0.362 nan 8.360 nan 0.000 0.397 0 F N 1.018 120.984 119.950 0.028 0.000 2.563 0 F HA 0.204 4.731 4.527 -0.000 0.000 0.316 0 F C 1.147 176.986 175.800 0.064 0.000 1.076 0 F CA -1.009 57.011 58.000 0.034 0.000 0.921 0 F CB 1.281 40.274 39.000 -0.012 0.000 1.209 0 F HN 0.344 nan 8.300 nan 0.000 0.462 1 M N 0.355 120.083 119.600 0.213 0.000 2.267 1 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 1 M C 1.531 177.891 176.300 0.100 0.000 1.063 1 M CA 1.333 56.680 55.300 0.079 0.000 1.090 1 M CB -0.998 31.454 32.600 -0.246 0.000 1.392 1 M HN 0.611 nan 8.290 nan 0.000 0.422 2 E N 0.268 120.516 120.200 0.080 0.000 2.268 2 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 2 E C 1.484 178.065 176.600 -0.031 0.000 0.995 2 E CA 0.788 57.194 56.400 0.010 0.000 0.836 2 E CB -0.637 29.049 29.700 -0.024 0.000 0.763 2 E HN 0.643 nan 8.360 nan 0.000 0.491 3 N N -0.755 117.901 118.700 -0.073 0.000 2.512 3 N HA -0.027 4.713 4.740 -0.000 0.000 0.183 3 N C -0.493 174.726 175.510 -0.484 0.000 1.073 3 N CA 0.051 52.919 53.050 -0.304 0.000 0.911 3 N CB 0.097 38.294 38.487 -0.482 0.000 0.964 3 N HN 0.046 nan 8.380 nan 0.000 0.447 4 F N 0.592 120.510 119.950 -0.054 0.000 2.469 4 F HA 0.312 4.839 4.527 -0.000 0.000 0.332 4 F C 0.238 175.990 175.800 -0.079 0.000 1.103 4 F CA -1.059 56.900 58.000 -0.068 0.000 0.979 4 F CB 1.569 40.517 39.000 -0.085 0.000 1.137 4 F HN -0.217 nan 8.300 nan 0.000 0.463 5 Q N 4.034 123.904 119.800 0.118 0.000 2.325 5 Q HA 0.307 4.647 4.340 -0.000 0.000 0.262 5 Q C -0.925 175.090 176.000 0.025 0.000 0.968 5 Q CA -0.874 54.949 55.803 0.033 0.000 0.877 5 Q CB 1.048 29.787 28.738 0.001 0.000 1.253 5 Q HN 0.590 nan 8.270 nan 0.000 0.448 6 K N 2.048 122.430 120.400 -0.031 0.000 2.401 6 K HA 0.194 4.514 4.320 -0.000 0.000 0.278 6 K C -0.359 176.235 176.600 -0.010 0.000 1.018 6 K CA -0.425 55.826 56.287 -0.061 0.000 0.981 6 K CB 1.052 33.417 32.500 -0.224 0.000 0.933 6 K HN 0.389 nan 8.250 nan 0.000 0.477 7 V N 1.366 121.301 119.914 0.035 0.000 2.602 7 V HA -0.006 4.114 4.120 -0.000 0.000 0.235 7 V C 0.347 176.491 176.094 0.083 0.000 1.087 7 V CA 1.059 63.373 62.300 0.024 0.000 1.117 7 V CB -0.480 31.323 31.823 -0.034 0.000 0.820 7 V HN 1.092 nan 8.190 nan 0.000 0.490 8 E N -0.189 120.109 120.200 0.163 0.000 2.416 8 E HA 0.336 4.686 4.350 -0.000 0.000 0.280 8 E C -1.159 175.580 176.600 0.233 0.000 1.055 8 E CA -0.903 55.615 56.400 0.196 0.000 0.825 8 E CB 1.970 31.721 29.700 0.086 0.000 1.312 8 E HN 0.119 nan 8.360 nan 0.000 0.452 9 K N 1.966 122.383 120.400 0.027 0.000 2.276 9 K HA 0.252 4.572 4.320 -0.000 0.000 0.283 9 K C 0.611 177.121 176.600 -0.150 0.000 1.044 9 K CA -0.306 55.740 56.287 -0.402 0.000 0.944 9 K CB 0.429 32.654 32.500 -0.458 0.000 1.012 9 K HN 0.669 nan 8.250 nan 0.000 0.472 10 I N 0.532 121.027 120.570 -0.125 0.000 3.974 10 I HA 0.431 4.601 4.170 -0.000 0.000 0.334 10 I C 0.401 176.485 176.117 -0.056 0.000 1.437 10 I CA -0.501 60.796 61.300 -0.006 0.000 1.113 10 I CB 0.537 38.615 38.000 0.130 0.000 1.063 10 I HN 0.755 nan 8.210 nan 0.000 0.400 11 G N 2.312 111.030 108.800 -0.136 0.000 2.356 11 G HA2 0.233 4.193 3.960 -0.000 0.000 0.288 11 G HA3 0.233 4.193 3.960 -0.000 0.000 0.288 11 G C -1.491 173.288 174.900 -0.202 0.000 1.302 11 G CA -0.160 44.848 45.100 -0.153 0.000 0.887 11 G HN 0.478 nan 8.290 nan 0.000 0.521 12 E N -0.549 119.503 120.200 -0.245 0.000 3.286 12 E HA 0.464 4.814 4.350 -0.000 0.000 0.309 12 E C 0.610 177.023 176.600 -0.311 0.000 1.174 12 E CA -0.328 55.918 56.400 -0.257 0.000 0.984 12 E CB 0.335 29.870 29.700 -0.275 0.000 1.401 12 E HN 1.137 nan 8.360 nan 0.000 0.388 13 G N 1.377 110.081 108.800 -0.160 0.000 2.413 13 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.300 13 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.300 13 G C 1.123 175.984 174.900 -0.065 0.000 1.370 13 G CA 0.589 45.630 45.100 -0.098 0.000 1.110 13 G HN 0.450 nan 8.290 nan 0.000 0.596 14 T N -3.217 111.192 114.554 -0.242 0.000 3.163 14 T HA 0.013 4.363 4.350 -0.000 0.000 0.260 14 T C 0.632 174.906 174.700 -0.711 0.000 1.156 14 T CA 1.005 62.758 62.100 -0.577 0.000 1.072 14 T CB -0.305 67.981 68.868 -0.970 0.000 0.937 14 T HN 0.361 nan 8.240 nan 0.000 0.528 15 Y N 1.315 121.573 120.300 -0.069 0.000 2.669 15 Y HA 0.564 5.114 4.550 -0.000 0.000 0.302 15 Y C 1.464 177.353 175.900 -0.019 0.000 1.000 15 Y CA -0.685 57.386 58.100 -0.049 0.000 1.222 15 Y CB 0.316 38.757 38.460 -0.032 0.000 1.209 15 Y HN 0.497 nan 8.280 nan 0.000 0.571 16 G N -0.133 108.713 108.800 0.076 0.000 2.527 16 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.227 16 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.227 16 G C -0.859 174.052 174.900 0.019 0.000 1.291 16 G CA -0.523 44.615 45.100 0.064 0.000 0.904 16 G HN 0.285 nan 8.290 nan 0.000 0.577 17 V N 0.033 119.958 119.914 0.019 0.000 2.834 17 V HA 0.617 4.737 4.120 -0.000 0.000 0.301 17 V C 0.496 176.568 176.094 -0.036 0.000 1.066 17 V CA -0.045 62.212 62.300 -0.071 0.000 1.052 17 V CB 1.411 33.160 31.823 -0.123 0.000 1.021 17 V HN 1.171 nan 8.190 nan 0.000 0.480 18 V N 6.655 126.492 119.914 -0.128 0.000 2.448 18 V HA 0.475 4.595 4.120 -0.000 0.000 0.295 18 V C -1.063 174.966 176.094 -0.109 0.000 1.025 18 V CA -0.590 61.696 62.300 -0.023 0.000 0.859 18 V CB 1.483 33.297 31.823 -0.016 0.000 0.988 18 V HN 0.820 nan 8.190 nan 0.000 0.431 19 Y N 2.807 123.155 120.300 0.080 0.000 2.409 19 Y HA 0.463 5.013 4.550 -0.000 0.000 0.339 19 Y C 0.374 176.324 175.900 0.083 0.000 1.033 19 Y CA -0.687 57.455 58.100 0.071 0.000 1.094 19 Y CB 1.809 40.300 38.460 0.052 0.000 1.210 19 Y HN 0.522 nan 8.280 nan 0.000 0.456 20 K N 2.499 123.051 120.400 0.254 0.000 2.276 20 K HA 0.755 5.075 4.320 -0.000 0.000 0.283 20 K C -1.084 175.560 176.600 0.073 0.000 1.044 20 K CA -0.171 56.196 56.287 0.134 0.000 0.944 20 K CB 0.444 32.956 32.500 0.020 0.000 1.012 20 K HN 0.779 nan 8.250 nan 0.000 0.472 21 A N 4.407 127.233 122.820 0.010 0.000 2.527 21 A HA 0.617 4.937 4.320 -0.000 0.000 0.293 21 A C -1.313 176.296 177.584 0.042 0.000 1.117 21 A CA -1.047 51.010 52.037 0.032 0.000 0.723 21 A CB 1.347 20.368 19.000 0.035 0.000 1.313 21 A HN 0.836 nan 8.150 nan 0.000 0.411 22 R N 1.544 122.100 120.500 0.093 0.000 2.437 22 R HA 0.340 4.680 4.340 -0.000 0.000 0.310 22 R C -0.814 175.567 176.300 0.135 0.000 0.955 22 R CA -0.884 55.259 56.100 0.072 0.000 0.851 22 R CB 1.520 31.815 30.300 -0.009 0.000 1.161 22 R HN 0.709 nan 8.270 nan 0.000 0.446 23 N N 2.923 121.687 118.700 0.106 0.000 2.416 23 N HA -0.013 4.727 4.740 -0.000 0.000 0.265 23 N C 0.235 175.654 175.510 -0.152 0.000 1.195 23 N CA 0.249 53.213 53.050 -0.143 0.000 0.943 23 N CB 0.916 39.348 38.487 -0.092 0.000 1.115 23 N HN 0.533 nan 8.380 nan 0.000 0.481 24 K N 3.104 123.381 120.400 -0.204 0.000 2.280 24 K HA -0.043 4.277 4.320 -0.000 0.000 0.202 24 K C 1.411 177.941 176.600 -0.116 0.000 1.047 24 K CA 0.999 57.207 56.287 -0.131 0.000 0.942 24 K CB 0.273 32.698 32.500 -0.126 0.000 0.739 24 K HN 0.553 nan 8.250 nan 0.000 0.457 25 L N -0.100 121.034 121.223 -0.147 0.000 2.307 25 L HA -0.032 4.308 4.340 -0.000 0.000 0.211 25 L C 2.310 179.136 176.870 -0.074 0.000 1.099 25 L CA 1.139 55.917 54.840 -0.104 0.000 0.816 25 L CB -0.195 41.796 42.059 -0.114 0.000 0.952 25 L HN 0.297 nan 8.230 nan 0.000 0.455 26 T N -5.451 109.059 114.554 -0.073 0.000 2.955 26 T HA 0.275 4.625 4.350 -0.000 0.000 0.251 26 T C 1.474 176.157 174.700 -0.028 0.000 1.002 26 T CA 0.609 62.685 62.100 -0.039 0.000 0.970 26 T CB 1.033 69.886 68.868 -0.025 0.000 1.091 26 T HN 0.322 nan 8.240 nan 0.000 0.495 27 G N 1.620 110.399 108.800 -0.036 0.000 2.176 27 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.253 27 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.253 27 G C -0.113 174.781 174.900 -0.010 0.000 0.979 27 G CA 0.310 45.395 45.100 -0.025 0.000 0.641 27 G HN 0.941 nan 8.290 nan 0.000 0.530 28 E N 0.408 120.613 120.200 0.010 0.000 2.384 28 E HA 0.427 4.777 4.350 -0.000 0.000 0.266 28 E C 0.306 176.933 176.600 0.044 0.000 1.012 28 E CA -0.200 56.222 56.400 0.036 0.000 0.901 28 E CB 1.093 30.831 29.700 0.063 0.000 0.967 28 E HN 0.433 nan 8.360 nan 0.000 0.435 29 V N 5.726 125.643 119.914 0.005 0.000 2.539 29 V HA 0.505 4.625 4.120 -0.000 0.000 0.292 29 V C -0.274 175.844 176.094 0.040 0.000 1.045 29 V CA -0.115 62.139 62.300 -0.078 0.000 0.945 29 V CB 1.311 32.923 31.823 -0.351 0.000 0.993 29 V HN 0.585 nan 8.190 nan 0.000 0.464 30 V N 3.533 123.488 119.914 0.068 0.000 3.167 30 V HA 1.022 5.142 4.120 -0.000 0.000 0.310 30 V C -0.306 175.928 176.094 0.233 0.000 1.207 30 V CA -0.603 61.810 62.300 0.188 0.000 1.059 30 V CB 1.584 33.481 31.823 0.124 0.000 1.079 30 V HN 1.356 nan 8.190 nan 0.000 0.446 31 A N 1.685 124.683 122.820 0.296 0.000 2.303 31 A HA 0.875 5.195 4.320 -0.000 0.000 0.320 31 A C -0.805 176.923 177.584 0.239 0.000 1.192 31 A CA -0.607 51.611 52.037 0.302 0.000 0.821 31 A CB 0.638 19.814 19.000 0.294 0.000 1.188 31 A HN 0.915 nan 8.150 nan 0.000 0.492 32 L N 2.146 123.475 121.223 0.176 0.000 2.322 32 L HA 0.549 4.889 4.340 -0.000 0.000 0.281 32 L C 0.131 177.138 176.870 0.229 0.000 1.014 32 L CA -0.531 54.392 54.840 0.139 0.000 0.815 32 L CB 1.935 43.996 42.059 0.004 0.000 1.247 32 L HN 0.760 nan 8.230 nan 0.000 0.421 33 K N 3.665 124.212 120.400 0.244 0.000 2.323 33 K HA 0.353 4.673 4.320 -0.000 0.000 0.259 33 K C -0.904 175.763 176.600 0.110 0.000 0.947 33 K CA -0.742 55.673 56.287 0.212 0.000 0.819 33 K CB 1.607 34.282 32.500 0.293 0.000 1.109 33 K HN 0.412 nan 8.250 nan 0.000 0.429 34 K N 5.361 125.804 120.400 0.072 0.000 2.211 34 K HA 0.328 4.648 4.320 -0.000 0.000 0.275 34 K C -1.006 175.503 176.600 -0.151 0.000 1.024 34 K CA -0.477 55.724 56.287 -0.143 0.000 0.887 34 K CB 0.671 33.135 32.500 -0.060 0.000 1.084 34 K HN 0.545 nan 8.250 nan 0.000 0.463 35 I N 5.047 125.450 120.570 -0.278 0.000 2.382 35 I HA 0.316 4.486 4.170 -0.000 0.000 0.286 35 I C -0.095 175.905 176.117 -0.195 0.000 1.002 35 I CA -0.801 60.378 61.300 -0.201 0.000 1.135 35 I CB 1.669 39.517 38.000 -0.252 0.000 1.288 35 I HN 0.428 nan 8.210 nan 0.000 0.448 36 R N 6.026 126.463 120.500 -0.104 0.000 2.202 36 R HA 0.451 4.791 4.340 -0.000 0.000 0.334 36 R C -0.682 175.589 176.300 -0.049 0.000 1.036 36 R CA -0.876 55.179 56.100 -0.075 0.000 0.878 36 R CB 0.842 31.124 30.300 -0.030 0.000 1.067 36 R HN 0.356 nan 8.270 nan 0.000 0.457 37 L N 1.672 122.864 121.223 -0.052 0.000 2.482 37 L HA 0.177 4.517 4.340 -0.000 0.000 0.242 37 L C 0.457 177.325 176.870 -0.004 0.000 1.210 37 L CA 0.645 55.469 54.840 -0.027 0.000 0.819 37 L CB 0.410 42.456 42.059 -0.021 0.000 1.203 37 L HN 0.478 nan 8.230 nan 0.000 0.495 38 D N -0.808 119.596 120.400 0.007 0.000 2.323 38 D HA 0.067 4.707 4.640 -0.000 0.000 0.242 38 D C -0.368 175.942 176.300 0.017 0.000 1.347 38 D CA -0.035 53.974 54.000 0.014 0.000 0.988 38 D CB 1.608 42.420 40.800 0.020 0.000 1.314 38 D HN 0.480 nan 8.370 nan 0.000 0.564 39 T N 1.177 115.741 114.554 0.017 0.000 3.312 39 T HA -0.002 4.348 4.350 -0.000 0.000 0.251 39 T C 1.555 176.265 174.700 0.017 0.000 1.012 39 T CA 0.135 62.246 62.100 0.017 0.000 0.925 39 T CB 0.090 68.968 68.868 0.017 0.000 1.049 39 T HN 0.384 nan 8.240 nan 0.000 0.583 40 E N 0.409 120.620 120.200 0.018 0.000 2.049 40 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 40 E C 1.905 178.515 176.600 0.018 0.000 1.007 40 E CA 2.059 58.470 56.400 0.018 0.000 0.809 40 E CB -0.743 28.970 29.700 0.020 0.000 0.749 40 E HN 0.620 nan 8.360 nan 0.000 0.450 41 T N -2.077 112.488 114.554 0.019 0.000 2.896 41 T HA 0.075 4.425 4.350 -0.000 0.000 0.238 41 T C 1.643 176.353 174.700 0.017 0.000 1.045 41 T CA 1.101 63.212 62.100 0.019 0.000 1.248 41 T CB 0.117 68.998 68.868 0.022 0.000 0.955 41 T HN 0.234 nan 8.240 nan 0.000 0.416 42 E N 0.023 120.233 120.200 0.017 0.000 2.370 42 E HA 0.354 4.704 4.350 -0.000 0.000 0.195 42 E C 0.226 176.835 176.600 0.015 0.000 1.001 42 E CA 0.638 57.047 56.400 0.015 0.000 1.531 42 E CB 0.885 30.593 29.700 0.013 0.000 2.982 42 E HN 0.844 nan 8.360 nan 0.000 1.057 43 G N -0.702 108.109 108.800 0.017 0.000 2.341 43 G HA2 0.369 4.329 3.960 -0.000 0.000 0.299 43 G HA3 0.369 4.329 3.960 -0.000 0.000 0.299 43 G C -1.518 173.395 174.900 0.022 0.000 1.274 43 G CA -0.167 44.943 45.100 0.017 0.000 0.853 43 G HN 0.104 nan 8.290 nan 0.000 0.493 44 V N 2.549 122.476 119.914 0.020 0.000 2.509 44 V HA 0.485 4.605 4.120 -0.000 0.000 0.284 44 V C -1.596 174.513 176.094 0.026 0.000 1.047 44 V CA -1.128 61.188 62.300 0.026 0.000 0.952 44 V CB 1.326 33.161 31.823 0.020 0.000 0.988 44 V HN 0.646 nan 8.190 nan 0.000 0.469 45 P HA 0.031 nan 4.420 nan 0.000 0.264 45 P C 1.000 178.311 177.300 0.017 0.000 1.193 45 P CA 0.256 63.380 63.100 0.040 0.000 0.763 45 P CB 0.807 32.551 31.700 0.073 0.000 0.810 46 S N 2.040 117.743 115.700 0.006 0.000 2.380 46 S HA -0.244 4.226 4.470 -0.000 0.000 0.229 46 S C 1.957 176.532 174.600 -0.042 0.000 1.043 46 S CA 2.116 60.307 58.200 -0.015 0.000 1.038 46 S CB -1.674 61.520 63.200 -0.010 0.000 0.872 46 S HN 0.587 nan 8.310 nan 0.000 0.456 47 T N 1.434 115.966 114.554 -0.036 0.000 2.833 47 T HA 0.053 4.403 4.350 -0.000 0.000 0.269 47 T C 1.903 176.471 174.700 -0.220 0.000 1.054 47 T CA 1.601 63.639 62.100 -0.103 0.000 1.135 47 T CB -0.887 67.959 68.868 -0.037 0.000 0.869 47 T HN 0.635 nan 8.240 nan 0.000 0.466 48 A N 1.610 124.368 122.820 -0.103 0.000 1.898 48 A HA 0.054 4.374 4.320 -0.000 0.000 0.216 48 A C 2.242 179.762 177.584 -0.107 0.000 1.181 48 A CA 1.250 53.236 52.037 -0.086 0.000 0.620 48 A CB -0.624 18.418 19.000 0.070 0.000 0.819 48 A HN 0.529 nan 8.150 nan 0.000 0.442 49 I N -0.113 120.415 120.570 -0.069 0.000 2.264 49 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 49 I C 2.491 178.554 176.117 -0.090 0.000 1.111 49 I CA 1.767 63.031 61.300 -0.061 0.000 1.382 49 I CB -1.157 36.820 38.000 -0.039 0.000 1.060 49 I HN 0.467 nan 8.210 nan 0.000 0.418 50 R N 0.789 121.215 120.500 -0.124 0.000 2.075 50 R HA -0.134 4.206 4.340 -0.000 0.000 0.232 50 R C 2.081 178.278 176.300 -0.172 0.000 1.126 50 R CA 1.115 57.136 56.100 -0.133 0.000 0.963 50 R CB 0.079 30.297 30.300 -0.137 0.000 0.858 50 R HN 0.239 nan 8.270 nan 0.000 0.435 51 E N 0.572 120.604 120.200 -0.279 0.000 2.106 51 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 51 E C 2.029 178.540 176.600 -0.148 0.000 0.984 51 E CA 1.051 57.272 56.400 -0.298 0.000 0.806 51 E CB -0.061 29.259 29.700 -0.634 0.000 0.750 51 E HN 0.474 nan 8.360 nan 0.000 0.458 52 I N 0.850 121.352 120.570 -0.114 0.000 2.315 52 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 52 I C 2.333 178.402 176.117 -0.080 0.000 1.117 52 I CA 0.701 61.956 61.300 -0.076 0.000 1.404 52 I CB -0.122 37.844 38.000 -0.057 0.000 1.071 52 I HN -0.057 nan 8.210 nan 0.000 0.419 53 S N 0.822 116.476 115.700 -0.077 0.000 2.368 53 S HA -0.104 4.366 4.470 -0.000 0.000 0.225 53 S C 2.008 176.572 174.600 -0.060 0.000 1.030 53 S CA 1.172 59.335 58.200 -0.062 0.000 0.999 53 S CB -0.300 62.866 63.200 -0.056 0.000 0.844 53 S HN 0.331 nan 8.310 nan 0.000 0.459 54 L N 0.608 121.789 121.223 -0.071 0.000 2.046 54 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 54 L C 2.403 179.232 176.870 -0.068 0.000 1.077 54 L CA 0.881 55.688 54.840 -0.054 0.000 0.747 54 L CB -0.491 41.535 42.059 -0.055 0.000 0.896 54 L HN 0.298 nan 8.230 nan 0.000 0.432 55 L N 0.158 121.315 121.223 -0.109 0.000 2.046 55 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 55 L C 2.451 179.240 176.870 -0.136 0.000 1.077 55 L CA 1.814 56.541 54.840 -0.190 0.000 0.747 55 L CB -0.564 41.329 42.059 -0.277 0.000 0.896 55 L HN 0.093 nan 8.230 nan 0.000 0.432 56 K N -0.496 119.847 120.400 -0.094 0.000 2.211 56 K HA -0.193 4.127 4.320 -0.000 0.000 0.204 56 K C 1.877 178.459 176.600 -0.031 0.000 1.047 56 K CA 1.648 57.898 56.287 -0.062 0.000 0.935 56 K CB -0.136 32.330 32.500 -0.056 0.000 0.728 56 K HN 0.495 nan 8.250 nan 0.000 0.452 57 E N 0.611 120.798 120.200 -0.021 0.000 2.204 57 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 57 E C 0.034 176.659 176.600 0.042 0.000 0.989 57 E CA 0.224 56.633 56.400 0.014 0.000 0.824 57 E CB 0.027 29.742 29.700 0.025 0.000 0.756 57 E HN 0.231 nan 8.360 nan 0.000 0.477 58 L N 2.528 123.769 121.223 0.029 0.000 2.410 58 L HA 0.104 4.444 4.340 -0.000 0.000 0.273 58 L C -0.097 176.852 176.870 0.132 0.000 1.144 58 L CA -0.093 54.821 54.840 0.122 0.000 0.863 58 L CB 0.178 42.300 42.059 0.104 0.000 1.140 58 L HN 0.015 nan 8.230 nan 0.000 0.463 59 N N 3.233 122.032 118.700 0.164 0.000 2.491 59 N HA 0.390 5.130 4.740 -0.000 0.000 0.274 59 N C -1.162 174.281 175.510 -0.113 0.000 1.023 59 N CA -0.473 52.599 53.050 0.037 0.000 0.902 59 N CB 1.800 40.302 38.487 0.026 0.000 1.267 59 N HN 0.575 nan 8.380 nan 0.000 0.503 60 H N 2.220 121.144 119.070 -0.243 0.000 3.079 60 H HA 0.235 4.791 4.556 -0.000 0.000 0.356 60 H C -2.161 173.040 175.328 -0.211 0.000 1.221 60 H CA -1.066 54.733 56.048 -0.415 0.000 1.185 60 H CB 2.861 32.227 29.762 -0.660 0.000 1.882 60 H HN 0.166 nan 8.280 nan 0.000 0.543 61 P HA -0.062 nan 4.420 nan 0.000 0.222 61 P C -0.060 177.239 177.300 -0.002 0.000 1.147 61 P CA 1.051 64.022 63.100 -0.215 0.000 0.790 61 P CB 0.366 31.893 31.700 -0.290 0.000 0.780 62 N N -0.517 118.346 118.700 0.273 0.000 2.321 62 N HA 0.263 5.003 4.740 -0.000 0.000 0.242 62 N C -0.122 175.466 175.510 0.130 0.000 1.141 62 N CA -0.087 53.073 53.050 0.183 0.000 0.864 62 N CB 0.162 38.742 38.487 0.156 0.000 1.100 62 N HN 0.168 nan 8.380 nan 0.000 0.510 63 I N 0.400 121.063 120.570 0.156 0.000 2.499 63 I HA 0.185 4.355 4.170 -0.000 0.000 0.288 63 I C -0.221 175.986 176.117 0.149 0.000 1.048 63 I CA -1.152 60.259 61.300 0.186 0.000 1.062 63 I CB 2.239 40.371 38.000 0.220 0.000 1.238 63 I HN -0.178 nan 8.210 nan 0.000 0.426 64 V N 6.795 126.796 119.914 0.146 0.000 2.720 64 V HA -0.060 4.060 4.120 -0.000 0.000 0.307 64 V C 0.476 176.703 176.094 0.220 0.000 1.071 64 V CA 0.457 62.825 62.300 0.115 0.000 1.199 64 V CB 0.784 32.603 31.823 -0.007 0.000 0.900 64 V HN 0.744 nan 8.190 nan 0.000 0.494 65 K N 5.734 126.260 120.400 0.209 0.000 2.312 65 K HA 0.327 4.647 4.320 -0.000 0.000 0.287 65 K C -0.699 176.071 176.600 0.285 0.000 1.062 65 K CA -0.672 55.735 56.287 0.200 0.000 0.934 65 K CB 0.829 33.397 32.500 0.113 0.000 1.027 65 K HN 0.632 nan 8.250 nan 0.000 0.478 66 L N 6.462 127.769 121.223 0.140 0.000 2.265 66 L HA 0.191 4.531 4.340 -0.000 0.000 0.288 66 L C 0.156 176.950 176.870 -0.127 0.000 1.058 66 L CA 0.276 55.010 54.840 -0.177 0.000 0.809 66 L CB 0.844 42.751 42.059 -0.252 0.000 1.179 66 L HN 0.838 nan 8.230 nan 0.000 0.429 67 L N 2.865 123.999 121.223 -0.148 0.000 2.298 67 L HA 0.349 4.689 4.340 -0.000 0.000 0.209 67 L C 0.031 176.853 176.870 -0.080 0.000 1.084 67 L CA 0.292 55.093 54.840 -0.065 0.000 0.816 67 L CB 0.008 42.062 42.059 -0.008 0.000 0.967 67 L HN 0.655 nan 8.230 nan 0.000 0.460 68 D N -2.087 118.229 120.400 -0.140 0.000 2.694 68 D HA 0.377 5.017 4.640 -0.000 0.000 0.260 68 D C -1.580 174.626 176.300 -0.157 0.000 1.250 68 D CA -0.204 53.733 54.000 -0.103 0.000 0.763 68 D CB 2.428 43.206 40.800 -0.035 0.000 1.311 68 D HN -0.334 nan 8.370 nan 0.000 0.420 69 V N 2.244 122.097 119.914 -0.101 0.000 2.524 69 V HA 0.497 4.617 4.120 -0.000 0.000 0.297 69 V C -0.182 175.888 176.094 -0.040 0.000 1.035 69 V CA -0.583 61.645 62.300 -0.120 0.000 0.867 69 V CB 1.469 33.229 31.823 -0.105 0.000 1.004 69 V HN 0.450 nan 8.190 nan 0.000 0.426 70 I N 4.399 124.940 120.570 -0.047 0.000 2.336 70 I HA 0.467 4.637 4.170 -0.000 0.000 0.292 70 I C -0.473 175.654 176.117 0.017 0.000 0.991 70 I CA -0.473 60.850 61.300 0.038 0.000 1.227 70 I CB 1.257 39.300 38.000 0.073 0.000 1.366 70 I HN 0.613 nan 8.210 nan 0.000 0.466 71 H N 3.204 122.300 119.070 0.042 0.000 2.467 71 H HA 0.589 5.145 4.556 -0.000 0.000 0.326 71 H C -0.338 175.050 175.328 0.101 0.000 1.094 71 H CA -0.310 55.770 56.048 0.053 0.000 1.253 71 H CB 1.759 31.529 29.762 0.013 0.000 1.439 71 H HN 0.433 nan 8.280 nan 0.000 0.479 72 T N 3.147 117.828 114.554 0.211 0.000 3.435 72 T HA 0.117 4.467 4.350 -0.000 0.000 0.344 72 T C -1.310 173.475 174.700 0.143 0.000 1.211 72 T CA -0.818 61.401 62.100 0.198 0.000 1.104 72 T CB 0.436 69.453 68.868 0.250 0.000 1.196 72 T HN 0.699 nan 8.240 nan 0.000 0.471 73 E N 4.260 124.529 120.200 0.115 0.000 2.012 73 E HA -0.221 4.129 4.350 -0.000 0.000 0.171 73 E C 0.398 177.032 176.600 0.057 0.000 1.512 73 E CA 1.051 57.499 56.400 0.080 0.000 0.577 73 E CB -0.976 28.770 29.700 0.077 0.000 1.034 73 E HN 0.858 nan 8.360 nan 0.000 0.293 74 N N -0.618 118.111 118.700 0.048 0.000 2.713 74 N HA -0.236 4.504 4.740 -0.000 0.000 0.251 74 N C -0.254 175.248 175.510 -0.014 0.000 1.117 74 N CA 1.746 54.810 53.050 0.023 0.000 0.770 74 N CB -0.647 37.852 38.487 0.019 0.000 1.137 74 N HN 0.503 nan 8.380 nan 0.000 0.566 75 K N -0.158 120.226 120.400 -0.027 0.000 2.435 75 K HA 0.648 4.968 4.320 -0.000 0.000 0.251 75 K C -0.793 175.680 176.600 -0.213 0.000 0.954 75 K CA -0.779 55.421 56.287 -0.146 0.000 0.820 75 K CB 2.017 34.410 32.500 -0.178 0.000 1.292 75 K HN -0.146 nan 8.250 nan 0.000 0.436 76 L N 2.140 123.138 121.223 -0.374 0.000 2.385 76 L HA 0.423 4.763 4.340 -0.000 0.000 0.273 76 L C -1.608 174.970 176.870 -0.486 0.000 0.990 76 L CA -0.412 54.183 54.840 -0.409 0.000 0.821 76 L CB 1.244 43.063 42.059 -0.400 0.000 1.279 76 L HN 0.502 nan 8.230 nan 0.000 0.412 77 Y N 4.234 124.419 120.300 -0.191 0.000 2.334 77 Y HA 0.523 5.073 4.550 -0.000 0.000 0.336 77 Y C -0.322 175.457 175.900 -0.202 0.000 0.960 77 Y CA -0.590 57.420 58.100 -0.150 0.000 1.164 77 Y CB 1.323 39.707 38.460 -0.127 0.000 1.155 77 Y HN 0.288 nan 8.280 nan 0.000 0.478 78 L N 4.943 126.123 121.223 -0.071 0.000 2.265 78 L HA 0.438 4.778 4.340 -0.000 0.000 0.288 78 L C -0.574 176.137 176.870 -0.265 0.000 1.058 78 L CA -0.941 53.753 54.840 -0.243 0.000 0.809 78 L CB 0.780 42.690 42.059 -0.249 0.000 1.179 78 L HN 0.317 nan 8.230 nan 0.000 0.429 79 V N 4.399 124.097 119.914 -0.360 0.000 2.350 79 V HA 0.369 4.489 4.120 -0.000 0.000 0.276 79 V C -0.142 175.768 176.094 -0.306 0.000 1.028 79 V CA -0.218 61.926 62.300 -0.259 0.000 0.860 79 V CB 0.762 32.469 31.823 -0.192 0.000 0.990 79 V HN 0.389 nan 8.190 nan 0.000 0.453 80 F N 2.126 122.079 119.950 0.004 0.000 2.575 80 F HA 0.498 5.025 4.527 0.000 0.000 0.330 80 F C 0.818 176.661 175.800 0.072 0.000 1.056 80 F CA -1.114 56.908 58.000 0.037 0.000 0.964 80 F CB 1.227 40.254 39.000 0.045 0.000 1.258 80 F HN 0.606 nan 8.300 nan 0.000 0.484 81 E N 0.723 121.112 120.200 0.315 0.000 2.418 81 E HA 0.066 4.416 4.350 -0.000 0.000 0.261 81 E C -1.082 175.672 176.600 0.257 0.000 1.070 81 E CA -0.368 56.169 56.400 0.228 0.000 0.931 81 E CB 0.698 30.493 29.700 0.159 0.000 0.954 81 E HN 0.525 nan 8.360 nan 0.000 0.439 82 F N 2.946 122.960 119.950 0.106 0.000 2.410 82 F HA 0.268 4.795 4.527 -0.000 0.000 0.348 82 F C 0.040 175.902 175.800 0.104 0.000 1.106 82 F CA -0.332 57.727 58.000 0.100 0.000 1.163 82 F CB 0.512 39.563 39.000 0.085 0.000 1.129 82 F HN 0.454 nan 8.300 nan 0.000 0.516 83 L N 4.722 125.497 121.223 -0.747 0.000 2.860 83 L HA -0.025 4.315 4.340 -0.000 0.000 0.251 83 L C 1.432 177.913 176.870 -0.648 0.000 1.041 83 L CA 0.452 54.928 54.840 -0.607 0.000 0.985 83 L CB -0.402 41.469 42.059 -0.313 0.000 1.656 83 L HN 0.867 nan 8.230 nan 0.000 0.526 84 H N -0.515 118.125 119.070 -0.717 0.000 4.888 84 H HA -0.310 4.246 4.556 -0.000 0.000 0.143 84 H C 0.521 175.724 175.328 -0.210 0.000 0.729 84 H CA 1.806 57.636 56.048 -0.363 0.000 1.198 84 H CB -1.072 28.550 29.762 -0.234 0.000 0.904 84 H HN 0.425 nan 8.280 nan 0.000 0.432 85 Q N 2.902 122.321 119.800 -0.634 0.000 2.245 85 Q HA 0.482 4.822 4.340 -0.000 0.000 0.256 85 Q C -0.652 175.176 176.000 -0.286 0.000 0.942 85 Q CA 0.042 55.581 55.803 -0.441 0.000 0.896 85 Q CB 1.622 30.047 28.738 -0.523 0.000 1.272 85 Q HN 0.666 nan 8.270 nan 0.000 0.442 86 D N 1.245 121.537 120.400 -0.179 0.000 2.531 86 D HA 0.168 4.808 4.640 -0.000 0.000 0.244 86 D C 0.038 176.291 176.300 -0.079 0.000 1.090 86 D CA -0.787 53.119 54.000 -0.157 0.000 0.989 86 D CB 0.418 41.137 40.800 -0.134 0.000 1.433 86 D HN 0.441 nan 8.370 nan 0.000 0.492 87 L N 0.290 121.453 121.223 -0.099 0.000 2.079 87 L HA -0.049 4.291 4.340 -0.000 0.000 0.210 87 L C 1.969 178.886 176.870 0.079 0.000 1.081 87 L CA 1.931 56.775 54.840 0.007 0.000 0.752 87 L CB -0.842 41.175 42.059 -0.070 0.000 0.896 87 L HN 0.600 nan 8.230 nan 0.000 0.433 88 K N 0.186 120.596 120.400 0.016 0.000 2.002 88 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 88 K C 2.065 178.696 176.600 0.051 0.000 1.048 88 K CA 1.829 58.136 56.287 0.033 0.000 0.930 88 K CB -0.265 32.239 32.500 0.007 0.000 0.714 88 K HN 0.286 nan 8.250 nan 0.000 0.438 89 K N -0.753 119.673 120.400 0.044 0.000 2.063 89 K HA -0.148 4.171 4.320 -0.000 0.000 0.208 89 K C 2.127 178.795 176.600 0.114 0.000 1.048 89 K CA 1.573 57.893 56.287 0.055 0.000 0.928 89 K CB -0.399 32.119 32.500 0.030 0.000 0.713 89 K HN 0.129 nan 8.250 nan 0.000 0.442 90 F N 1.713 121.648 119.950 -0.025 0.000 2.134 90 F HA -0.149 4.378 4.527 0.000 0.000 0.299 90 F C 2.078 177.896 175.800 0.031 0.000 1.097 90 F CA 1.442 59.445 58.000 0.004 0.000 1.264 90 F CB -0.182 38.831 39.000 0.022 0.000 1.001 90 F HN -0.049 nan 8.300 nan 0.000 0.479 91 M N -0.260 119.328 119.600 -0.020 0.000 2.117 91 M HA -0.206 4.274 4.480 -0.000 0.000 0.262 91 M C 1.707 177.942 176.300 -0.109 0.000 1.065 91 M CA 1.738 56.965 55.300 -0.121 0.000 1.114 91 M CB -0.612 31.988 32.600 -0.001 0.000 1.361 91 M HN 0.013 nan 8.290 nan 0.000 0.408 92 D N 0.615 120.992 120.400 -0.038 0.000 2.178 92 D HA -0.087 4.553 4.640 -0.000 0.000 0.201 92 D C 1.831 178.103 176.300 -0.046 0.000 0.980 92 D CA 1.468 55.453 54.000 -0.025 0.000 0.842 92 D CB -0.123 40.682 40.800 0.008 0.000 0.948 92 D HN 0.340 nan 8.370 nan 0.000 0.472 93 A N -0.108 122.676 122.820 -0.061 0.000 2.119 93 A HA 0.019 4.339 4.320 -0.000 0.000 0.216 93 A C 1.975 179.488 177.584 -0.118 0.000 1.152 93 A CA 0.693 52.697 52.037 -0.054 0.000 0.708 93 A CB 0.142 19.145 19.000 0.006 0.000 0.805 93 A HN 0.072 nan 8.150 nan 0.000 0.460 94 S N -0.506 115.052 115.700 -0.236 0.000 2.568 94 S HA 0.410 4.880 4.470 -0.000 0.000 0.232 94 S C 1.756 176.263 174.600 -0.156 0.000 0.975 94 S CA 0.289 58.335 58.200 -0.257 0.000 0.949 94 S CB 0.275 63.172 63.200 -0.505 0.000 0.829 94 S HN 0.693 nan 8.310 nan 0.000 0.479 95 A N 2.246 125.002 122.820 -0.108 0.000 1.884 95 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 95 A C 1.921 179.469 177.584 -0.060 0.000 1.197 95 A CA 1.433 53.427 52.037 -0.072 0.000 0.637 95 A CB -0.798 18.174 19.000 -0.046 0.000 0.827 95 A HN 0.514 nan 8.150 nan 0.000 0.450 96 L N -0.713 120.480 121.223 -0.050 0.000 2.127 96 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 96 L C 2.614 179.458 176.870 -0.043 0.000 1.089 96 L CA 1.912 56.728 54.840 -0.039 0.000 0.757 96 L CB -0.568 41.474 42.059 -0.028 0.000 0.899 96 L HN 0.739 nan 8.230 nan 0.000 0.434 97 T N -4.811 109.711 114.554 -0.053 0.000 2.955 97 T HA 0.434 4.784 4.350 -0.000 0.000 0.251 97 T C 0.866 175.531 174.700 -0.057 0.000 1.002 97 T CA 0.262 62.333 62.100 -0.049 0.000 0.970 97 T CB 0.885 69.726 68.868 -0.045 0.000 1.091 97 T HN 0.406 nan 8.240 nan 0.000 0.495 98 G N 1.541 110.293 108.800 -0.080 0.000 2.705 98 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.686 98 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.686 98 G C -0.634 174.209 174.900 -0.095 0.000 1.285 98 G CA -0.700 44.350 45.100 -0.083 0.000 0.800 98 G HN 0.620 nan 8.290 nan 0.000 0.611 99 I N 2.458 122.970 120.570 -0.095 0.000 2.588 99 I HA 0.208 4.378 4.170 -0.000 0.000 0.283 99 I C -1.456 174.664 176.117 0.003 0.000 1.119 99 I CA -1.503 59.762 61.300 -0.058 0.000 1.419 99 I CB 0.944 38.964 38.000 0.033 0.000 1.394 99 I HN 0.272 nan 8.210 nan 0.000 0.562 100 P HA -0.026 nan 4.420 nan 0.000 0.268 100 P C 0.527 177.835 177.300 0.014 0.000 1.205 100 P CA -0.351 62.753 63.100 0.007 0.000 0.771 100 P CB 0.657 32.358 31.700 0.001 0.000 0.858 101 L N 6.275 127.510 121.223 0.020 0.000 2.081 101 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 101 L C -0.962 175.905 176.870 -0.005 0.000 1.080 101 L CA 2.529 57.393 54.840 0.041 0.000 0.754 101 L CB -1.890 40.193 42.059 0.041 0.000 0.893 101 L HN 0.416 nan 8.230 nan 0.000 0.433 102 P HA -0.170 nan 4.420 nan 0.000 0.217 102 P C 2.159 179.398 177.300 -0.101 0.000 1.150 102 P CA 1.337 64.390 63.100 -0.078 0.000 0.832 102 P CB -0.001 31.655 31.700 -0.073 0.000 0.787 103 L N -1.303 119.848 121.223 -0.120 0.000 2.109 103 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 103 L C 2.269 178.979 176.870 -0.267 0.000 1.086 103 L CA 1.206 55.875 54.840 -0.285 0.000 0.760 103 L CB -0.507 41.391 42.059 -0.267 0.000 0.910 103 L HN -0.062 nan 8.230 nan 0.000 0.437 104 I N -0.059 120.493 120.570 -0.031 0.000 2.163 104 I HA -0.380 3.790 4.170 -0.000 0.000 0.243 104 I C 2.605 178.824 176.117 0.171 0.000 1.085 104 I CA 1.459 62.842 61.300 0.138 0.000 1.347 104 I CB -0.282 37.854 38.000 0.227 0.000 1.044 104 I HN 0.241 nan 8.210 nan 0.000 0.408 105 K N 0.459 120.928 120.400 0.116 0.000 2.026 105 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 105 K C 2.384 179.104 176.600 0.201 0.000 1.048 105 K CA 1.877 58.253 56.287 0.149 0.000 0.929 105 K CB -0.139 32.295 32.500 -0.110 0.000 0.713 105 K HN 0.134 nan 8.250 nan 0.000 0.439 106 S N -0.571 115.159 115.700 0.052 0.000 2.356 106 S HA -0.164 4.306 4.470 -0.000 0.000 0.223 106 S C 1.921 176.652 174.600 0.218 0.000 1.032 106 S CA 1.125 59.364 58.200 0.064 0.000 1.005 106 S CB -0.389 62.772 63.200 -0.065 0.000 0.867 106 S HN 0.379 nan 8.310 nan 0.000 0.449 107 Y N 1.126 121.477 120.300 0.085 0.000 2.181 107 Y HA 0.007 4.557 4.550 -0.000 0.000 0.288 107 Y C 2.292 178.221 175.900 0.049 0.000 1.146 107 Y CA 0.563 58.695 58.100 0.053 0.000 1.164 107 Y CB -1.248 37.246 38.460 0.056 0.000 0.982 107 Y HN 0.300 nan 8.280 nan 0.000 0.515 108 L N -0.959 120.423 121.223 0.265 0.000 2.046 108 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 108 L C 2.257 179.171 176.870 0.074 0.000 1.077 108 L CA 1.471 56.406 54.840 0.158 0.000 0.747 108 L CB -1.115 41.027 42.059 0.139 0.000 0.896 108 L HN 0.124 nan 8.230 nan 0.000 0.432 109 F N 0.242 120.114 119.950 -0.130 0.000 2.095 109 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 109 F C 2.519 178.173 175.800 -0.243 0.000 1.104 109 F CA 2.087 59.787 58.000 -0.500 0.000 1.232 109 F CB -0.327 38.372 39.000 -0.503 0.000 0.987 109 F HN 0.219 nan 8.300 nan 0.000 0.475 110 Q N -0.008 119.806 119.800 0.024 0.000 2.084 110 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 110 Q C 2.343 178.282 176.000 -0.102 0.000 0.978 110 Q CA 1.819 57.607 55.803 -0.025 0.000 0.844 110 Q CB -0.338 28.450 28.738 0.082 0.000 0.898 110 Q HN 0.471 nan 8.270 nan 0.000 0.426 111 L N 0.241 121.411 121.223 -0.089 0.000 2.083 111 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 111 L C 2.240 179.008 176.870 -0.170 0.000 1.083 111 L CA 0.815 55.580 54.840 -0.124 0.000 0.752 111 L CB -0.328 41.668 42.059 -0.105 0.000 0.899 111 L HN 0.253 nan 8.230 nan 0.000 0.433 112 L N -0.849 120.248 121.223 -0.211 0.000 2.093 112 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 112 L C 2.702 179.402 176.870 -0.283 0.000 1.085 112 L CA 1.199 55.896 54.840 -0.239 0.000 0.755 112 L CB -0.401 41.483 42.059 -0.291 0.000 0.904 112 L HN 0.329 nan 8.230 nan 0.000 0.435 113 Q N -0.436 119.154 119.800 -0.351 0.000 2.084 113 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 113 Q C 2.317 178.160 176.000 -0.261 0.000 0.978 113 Q CA 1.482 57.127 55.803 -0.263 0.000 0.844 113 Q CB -0.424 28.197 28.738 -0.195 0.000 0.898 113 Q HN 0.607 nan 8.270 nan 0.000 0.426 114 G N 0.947 109.581 108.800 -0.278 0.000 2.418 114 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 114 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 114 G C 1.407 176.152 174.900 -0.258 0.000 1.158 114 G CA 0.522 45.391 45.100 -0.386 0.000 0.771 114 G HN 0.162 nan 8.290 nan 0.000 0.545 115 L N 0.592 121.665 121.223 -0.249 0.000 2.093 115 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 115 L C 3.414 180.016 176.870 -0.447 0.000 1.085 115 L CA 0.846 55.450 54.840 -0.393 0.000 0.755 115 L CB -0.396 41.429 42.059 -0.391 0.000 0.904 115 L HN 0.306 nan 8.230 nan 0.000 0.435 116 A N -0.057 122.631 122.820 -0.220 0.000 1.908 116 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 116 A C 2.164 179.766 177.584 0.030 0.000 1.181 116 A CA 1.638 53.636 52.037 -0.065 0.000 0.627 116 A CB -0.821 18.161 19.000 -0.030 0.000 0.818 116 A HN 0.376 nan 8.150 nan 0.000 0.445 117 F N 0.409 120.264 119.950 -0.159 0.000 2.102 117 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 117 F C 2.576 178.380 175.800 0.005 0.000 1.105 117 F CA 1.562 59.507 58.000 -0.091 0.000 1.239 117 F CB -0.717 38.072 39.000 -0.350 0.000 0.991 117 F HN 0.321 nan 8.300 nan 0.000 0.474 118 C N -0.009 119.298 119.300 0.011 0.000 2.413 118 C HA -0.234 4.226 4.460 -0.000 0.000 0.277 118 C C 2.692 177.776 174.990 0.158 0.000 1.228 118 C CA 1.646 60.697 59.018 0.056 0.000 1.731 118 C CB -1.778 26.061 27.740 0.166 0.000 2.042 118 C HN 0.547 nan 8.230 nan 0.000 0.468 119 H N 0.871 119.991 119.070 0.083 0.000 2.387 119 H HA -0.141 4.415 4.556 -0.000 0.000 0.299 119 H C 2.430 177.778 175.328 0.034 0.000 1.099 119 H CA 1.526 57.618 56.048 0.074 0.000 1.315 119 H CB -0.118 29.689 29.762 0.076 0.000 1.380 119 H HN 0.618 nan 8.280 nan 0.000 0.513 120 S N 0.284 116.068 115.700 0.141 0.000 2.481 120 S HA -0.131 4.339 4.470 -0.000 0.000 0.231 120 S C 1.116 175.638 174.600 -0.129 0.000 0.996 120 S CA 0.933 59.141 58.200 0.013 0.000 0.942 120 S CB -0.159 63.039 63.200 -0.003 0.000 0.768 120 S HN 0.493 nan 8.310 nan 0.000 0.520 121 H N 1.349 120.317 119.070 -0.171 0.000 2.520 121 H HA 0.461 5.017 4.556 -0.000 0.000 0.284 121 H C 0.339 175.622 175.328 -0.075 0.000 1.037 121 H CA -0.228 55.713 56.048 -0.178 0.000 1.168 121 H CB 0.051 29.626 29.762 -0.312 0.000 1.497 121 H HN 0.310 nan 8.280 nan 0.000 0.547 122 R N -0.931 119.605 120.500 0.059 0.000 3.776 122 R HA -0.115 4.225 4.340 -0.000 0.000 0.312 122 R C -0.977 175.389 176.300 0.111 0.000 1.181 122 R CA 0.430 56.567 56.100 0.062 0.000 0.836 122 R CB -2.392 27.914 30.300 0.010 0.000 1.324 122 R HN 0.049 nan 8.270 nan 0.000 0.501 123 V N 1.710 121.726 119.914 0.171 0.000 2.459 123 V HA 0.475 4.595 4.120 -0.000 0.000 0.295 123 V C 0.123 176.438 176.094 0.368 0.000 1.029 123 V CA -0.693 61.736 62.300 0.216 0.000 0.874 123 V CB 1.817 33.728 31.823 0.147 0.000 0.985 123 V HN 0.040 nan 8.190 nan 0.000 0.438 124 L N 2.668 124.128 121.223 0.394 0.000 2.330 124 L HA 0.523 4.863 4.340 -0.000 0.000 0.271 124 L C 0.869 178.038 176.870 0.499 0.000 1.013 124 L CA -0.192 54.926 54.840 0.463 0.000 0.816 124 L CB 1.455 43.743 42.059 0.383 0.000 1.287 124 L HN 0.724 nan 8.230 nan 0.000 0.435 125 H N 1.233 120.512 119.070 0.347 0.000 2.329 125 H HA 0.120 4.676 4.556 -0.000 0.000 0.306 125 H C 0.754 176.177 175.328 0.158 0.000 1.062 125 H CA 1.739 57.888 56.048 0.170 0.000 1.364 125 H CB 0.315 29.974 29.762 -0.170 0.000 1.409 125 H HN 0.551 nan 8.280 nan 0.000 0.519 126 R N -1.603 119.085 120.500 0.314 0.000 3.746 126 R HA -0.193 4.147 4.340 -0.000 0.000 0.465 126 R C -0.445 175.963 176.300 0.180 0.000 0.725 126 R CA 1.329 57.541 56.100 0.187 0.000 1.545 126 R CB -1.754 28.616 30.300 0.118 0.000 2.197 126 R HN 0.464 nan 8.270 nan 0.000 0.438 127 D N 0.496 121.111 120.400 0.359 0.000 2.992 127 D HA 0.256 4.896 4.640 -0.000 0.000 0.372 127 D C -0.616 175.791 176.300 0.178 0.000 1.374 127 D CA -0.228 53.916 54.000 0.240 0.000 0.769 127 D CB 0.345 41.234 40.800 0.149 0.000 1.215 127 D HN 0.112 nan 8.370 nan 0.000 0.473 128 L N 1.950 123.171 121.223 -0.004 0.000 2.462 128 L HA 0.223 4.563 4.340 -0.000 0.000 0.272 128 L C 0.482 177.119 176.870 -0.389 0.000 1.166 128 L CA 0.583 55.200 54.840 -0.372 0.000 0.880 128 L CB 0.261 42.115 42.059 -0.342 0.000 1.142 128 L HN 0.171 nan 8.230 nan 0.000 0.473 129 K N 2.286 122.389 120.400 -0.495 0.000 2.568 129 K HA 0.417 4.737 4.320 -0.000 0.000 0.273 129 K C -2.769 173.551 176.600 -0.467 0.000 0.951 129 K CA -1.646 54.176 56.287 -0.774 0.000 0.854 129 K CB 1.460 33.622 32.500 -0.562 0.000 1.424 129 K HN -0.084 nan 8.250 nan 0.000 0.427 130 P HA -0.323 nan 4.420 nan 0.000 0.216 130 P C 1.337 178.547 177.300 -0.152 0.000 1.154 130 P CA 1.552 64.539 63.100 -0.189 0.000 0.865 130 P CB 0.163 31.825 31.700 -0.063 0.000 0.789 131 Q N -0.577 119.144 119.800 -0.131 0.000 2.181 131 Q HA -0.192 4.148 4.340 -0.000 0.000 0.205 131 Q C 0.936 176.864 176.000 -0.120 0.000 0.980 131 Q CA 1.486 57.231 55.803 -0.097 0.000 0.862 131 Q CB -0.403 28.300 28.738 -0.058 0.000 0.905 131 Q HN 0.209 nan 8.270 nan 0.000 0.429 132 N N 0.018 118.628 118.700 -0.149 0.000 2.383 132 N HA 0.131 4.871 4.740 -0.000 0.000 0.192 132 N C -0.764 174.632 175.510 -0.189 0.000 1.141 132 N CA 0.372 53.337 53.050 -0.143 0.000 0.851 132 N CB 0.364 38.789 38.487 -0.104 0.000 0.976 132 N HN 0.222 nan 8.380 nan 0.000 0.465 133 L N 1.327 122.424 121.223 -0.210 0.000 2.294 133 L HA 0.443 4.783 4.340 -0.000 0.000 0.283 133 L C -0.324 176.403 176.870 -0.238 0.000 1.015 133 L CA -0.522 54.176 54.840 -0.237 0.000 0.831 133 L CB 1.359 43.260 42.059 -0.263 0.000 1.217 133 L HN -0.221 nan 8.230 nan 0.000 0.420 134 L N 5.144 126.230 121.223 -0.229 0.000 2.334 134 L HA 0.589 4.929 4.340 -0.000 0.000 0.277 134 L C 0.049 176.750 176.870 -0.282 0.000 1.075 134 L CA -0.536 54.159 54.840 -0.242 0.000 0.804 134 L CB 1.314 43.246 42.059 -0.212 0.000 1.174 134 L HN 0.557 nan 8.230 nan 0.000 0.438 135 I N -0.154 120.227 120.570 -0.315 0.000 2.740 135 I HA 0.636 4.806 4.170 -0.000 0.000 0.303 135 I C -0.912 175.038 176.117 -0.279 0.000 1.044 135 I CA -0.783 60.321 61.300 -0.326 0.000 1.064 135 I CB 2.137 39.885 38.000 -0.421 0.000 1.249 135 I HN 0.619 nan 8.210 nan 0.000 0.433 136 N N 1.074 119.654 118.700 -0.200 0.000 2.545 136 N HA 0.348 5.088 4.740 -0.000 0.000 0.289 136 N C 0.643 176.081 175.510 -0.120 0.000 1.279 136 N CA -0.138 52.817 53.050 -0.159 0.000 0.824 136 N CB 0.759 39.185 38.487 -0.101 0.000 1.395 136 N HN 0.763 nan 8.380 nan 0.000 0.526 137 T N -2.705 111.802 114.554 -0.078 0.000 2.803 137 T HA -0.126 4.223 4.350 -0.000 0.000 0.269 137 T C 0.833 175.515 174.700 -0.031 0.000 1.052 137 T CA 1.338 63.409 62.100 -0.048 0.000 1.136 137 T CB -0.509 68.355 68.868 -0.007 0.000 0.864 137 T HN 0.660 nan 8.240 nan 0.000 0.467 138 E N 0.974 121.160 120.200 -0.023 0.000 2.502 138 E HA 0.318 4.668 4.350 -0.000 0.000 0.194 138 E C 1.468 178.064 176.600 -0.006 0.000 1.062 138 E CA 0.152 56.545 56.400 -0.011 0.000 0.867 138 E CB -0.209 29.487 29.700 -0.007 0.000 0.888 138 E HN 0.737 nan 8.360 nan 0.000 0.510 139 G N 0.762 109.561 108.800 -0.001 0.000 2.176 139 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.232 139 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.232 139 G C 0.322 175.291 174.900 0.115 0.000 0.986 139 G CA -0.066 45.064 45.100 0.049 0.000 0.643 139 G HN 0.447 nan 8.290 nan 0.000 0.522 140 A N -0.366 122.477 122.820 0.039 0.000 2.304 140 A HA 0.848 5.168 4.320 -0.000 0.000 0.271 140 A C 0.057 177.610 177.584 -0.051 0.000 1.091 140 A CA 0.178 52.227 52.037 0.021 0.000 0.812 140 A CB 0.948 19.937 19.000 -0.019 0.000 1.056 140 A HN 1.408 nan 8.150 nan 0.000 0.489 141 I N -0.075 120.437 120.570 -0.097 0.000 2.647 141 I HA 0.540 4.710 4.170 -0.000 0.000 0.295 141 I C -1.039 174.983 176.117 -0.158 0.000 1.078 141 I CA -0.621 60.520 61.300 -0.265 0.000 1.048 141 I CB 1.827 39.517 38.000 -0.518 0.000 1.239 141 I HN 0.700 nan 8.210 nan 0.000 0.421 142 K N 7.257 127.556 120.400 -0.168 0.000 2.464 142 K HA 0.511 4.831 4.320 -0.000 0.000 0.253 142 K C -1.437 175.099 176.600 -0.108 0.000 0.933 142 K CA -0.846 55.385 56.287 -0.093 0.000 0.801 142 K CB 2.581 35.049 32.500 -0.054 0.000 1.271 142 K HN 0.498 nan 8.250 nan 0.000 0.430 143 L N 2.075 123.263 121.223 -0.058 0.000 2.453 143 L HA 0.421 4.761 4.340 -0.000 0.000 0.272 143 L C 0.165 177.054 176.870 0.030 0.000 1.182 143 L CA 0.172 54.952 54.840 -0.099 0.000 0.858 143 L CB 0.686 42.710 42.059 -0.059 0.000 1.120 143 L HN 0.830 nan 8.230 nan 0.000 0.474 144 A N 1.713 124.510 122.820 -0.039 0.000 2.599 144 A HA 0.508 4.828 4.320 -0.000 0.000 0.290 144 A C -0.417 177.217 177.584 0.084 0.000 1.101 144 A CA -0.358 51.720 52.037 0.069 0.000 0.674 144 A CB 1.187 20.137 19.000 -0.083 0.000 1.277 144 A HN 0.693 nan 8.150 nan 0.000 0.419 145 D N -0.994 119.484 120.400 0.129 0.000 2.699 145 D HA -0.149 4.491 4.640 -0.000 0.000 0.239 145 D C -0.576 175.716 176.300 -0.014 0.000 1.136 145 D CA 0.950 55.014 54.000 0.106 0.000 0.668 145 D CB -1.755 39.056 40.800 0.019 0.000 1.060 145 D HN 0.499 nan 8.370 nan 0.000 0.429 146 F N -0.501 119.330 119.950 -0.199 0.000 2.595 146 F HA 0.302 4.829 4.527 0.000 0.000 0.359 146 F C 2.193 177.851 175.800 -0.237 0.000 1.147 146 F CA 0.699 58.352 58.000 -0.578 0.000 1.341 146 F CB 0.738 39.586 39.000 -0.253 0.000 1.104 146 F HN 0.178 nan 8.300 nan 0.000 0.603 147 G N 2.982 111.721 108.800 -0.101 0.000 3.374 147 G HA2 0.092 4.052 3.960 -0.000 0.000 0.252 147 G HA3 0.092 4.052 3.960 -0.000 0.000 0.252 147 G C 1.158 176.126 174.900 0.114 0.000 1.326 147 G CA -0.204 44.909 45.100 0.022 0.000 1.133 147 G HN 0.557 nan 8.290 nan 0.000 0.528 148 L N 1.255 122.611 121.223 0.223 0.000 1.994 148 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 148 L C 3.013 180.059 176.870 0.294 0.000 1.071 148 L CA 2.291 57.321 54.840 0.316 0.000 0.745 148 L CB -0.552 41.684 42.059 0.296 0.000 0.892 148 L HN 0.285 nan 8.230 nan 0.000 0.431 149 A N -0.827 122.155 122.820 0.270 0.000 1.908 149 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 149 A C 2.549 180.215 177.584 0.138 0.000 1.181 149 A CA 2.105 54.281 52.037 0.231 0.000 0.627 149 A CB -0.622 18.591 19.000 0.354 0.000 0.818 149 A HN 0.464 nan 8.150 nan 0.000 0.445 150 R N -0.911 119.632 120.500 0.072 0.000 2.200 150 R HA 0.121 4.461 4.340 -0.000 0.000 0.208 150 R C 2.126 178.414 176.300 -0.019 0.000 1.033 150 R CA 0.988 57.108 56.100 0.033 0.000 1.000 150 R CB -0.237 30.084 30.300 0.035 0.000 0.906 150 R HN 0.455 nan 8.270 nan 0.000 0.462 151 A N -0.180 122.586 122.820 -0.090 0.000 1.930 151 A HA -0.018 4.302 4.320 -0.000 0.000 0.215 151 A C 0.922 178.150 177.584 -0.594 0.000 1.176 151 A CA 0.788 52.608 52.037 -0.361 0.000 0.632 151 A CB -0.005 18.682 19.000 -0.521 0.000 0.819 151 A HN 0.331 nan 8.150 nan 0.000 0.445 152 F N -0.650 119.360 119.950 0.101 0.000 2.698 152 F HA 0.422 4.949 4.527 0.000 0.000 0.304 152 F C 1.428 177.266 175.800 0.064 0.000 1.108 152 F CA -0.249 57.798 58.000 0.079 0.000 1.263 152 F CB 0.084 39.127 39.000 0.070 0.000 1.013 152 F HN 0.243 nan 8.300 nan 0.000 0.532 153 G N 1.643 110.532 108.800 0.148 0.000 2.350 153 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.298 153 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.298 153 G C 0.004 174.976 174.900 0.120 0.000 1.037 153 G CA 0.010 45.179 45.100 0.114 0.000 1.074 153 G HN 0.178 nan 8.290 nan 0.000 0.511 154 V N 1.960 121.955 119.914 0.135 0.000 2.637 154 V HA 0.251 4.371 4.120 -0.000 0.000 0.296 154 V C -0.690 175.451 176.094 0.078 0.000 1.046 154 V CA -0.594 61.769 62.300 0.105 0.000 1.066 154 V CB 1.290 33.177 31.823 0.107 0.000 0.968 154 V HN 0.415 nan 8.190 nan 0.000 0.483 155 P HA 0.203 nan 4.420 nan 0.000 0.249 155 P C -0.721 176.600 177.300 0.035 0.000 1.737 155 P CA 0.553 63.679 63.100 0.043 0.000 1.128 155 P CB 0.631 32.350 31.700 0.032 0.000 1.942 156 V N 2.986 122.931 119.914 0.052 0.000 3.098 156 V HA 0.423 4.543 4.120 -0.000 0.000 0.294 156 V C -0.724 175.418 176.094 0.081 0.000 1.351 156 V CA -1.042 61.292 62.300 0.057 0.000 0.999 156 V CB 2.934 34.787 31.823 0.050 0.000 1.104 156 V HN 0.243 nan 8.190 nan 0.000 0.438 157 R N 2.621 123.165 120.500 0.073 0.000 2.615 157 R HA 0.833 5.173 4.340 -0.000 0.000 0.270 157 R C -0.230 176.099 176.300 0.049 0.000 1.081 157 R CA 0.910 57.046 56.100 0.060 0.000 1.154 157 R CB 1.288 31.618 30.300 0.050 0.000 1.063 157 R HN 1.133 nan 8.270 nan 0.000 0.519 158 T N -0.942 113.597 114.554 -0.026 0.000 2.843 158 T HA 0.353 4.703 4.350 -0.000 0.000 0.302 158 T C -1.158 173.458 174.700 -0.139 0.000 1.232 158 T CA -0.655 61.310 62.100 -0.225 0.000 1.009 158 T CB 0.547 69.119 68.868 -0.492 0.000 1.254 158 T HN 0.543 nan 8.240 nan 0.000 0.504 159 Y N -1.152 119.091 120.300 -0.094 0.000 3.038 159 Y HA -0.204 4.346 4.550 -0.000 0.000 0.176 159 Y C 1.785 177.670 175.900 -0.026 0.000 1.628 159 Y CA 0.632 58.669 58.100 -0.105 0.000 1.020 159 Y CB -2.773 35.579 38.460 -0.179 0.000 1.423 159 Y HN 1.059 nan 8.280 nan 0.000 0.418 160 T N -0.926 113.745 114.554 0.195 0.000 2.849 160 T HA -0.229 4.121 4.350 -0.000 0.000 0.270 160 T C 1.705 176.532 174.700 0.212 0.000 1.066 160 T CA 2.224 64.428 62.100 0.173 0.000 1.130 160 T CB -0.056 68.891 68.868 0.132 0.000 0.864 160 T HN 0.790 nan 8.240 nan 0.000 0.481 161 H N -0.076 119.013 119.070 0.031 0.000 2.422 161 H HA 0.358 4.914 4.556 -0.000 0.000 0.303 161 H C 1.102 176.431 175.328 0.003 0.000 1.033 161 H CA 0.895 56.950 56.048 0.011 0.000 1.335 161 H CB 0.109 29.869 29.762 -0.004 0.000 1.458 161 H HN 0.705 nan 8.280 nan 0.000 0.556 162 E N -0.522 119.399 120.200 -0.464 0.000 0.819 162 E HA 0.337 4.687 4.350 -0.000 0.000 0.157 162 E C -1.555 174.735 176.600 -0.517 0.000 2.389 162 E CA -0.473 55.711 56.400 -0.359 0.000 1.401 162 E CB 0.803 30.368 29.700 -0.225 0.000 0.853 162 E HN 0.084 nan 8.360 nan 0.000 0.839 163 V N -0.661 118.987 119.914 -0.443 0.000 3.181 163 V HA 0.721 4.841 4.120 -0.000 0.000 0.308 163 V C -1.182 174.655 176.094 -0.429 0.000 1.214 163 V CA 0.241 62.235 62.300 -0.511 0.000 1.053 163 V CB 2.081 33.553 31.823 -0.585 0.000 1.069 163 V HN 0.855 nan 8.190 nan 0.000 0.441 164 V N 2.273 121.902 119.914 -0.475 0.000 5.281 164 V HA 0.044 4.164 4.120 -0.000 0.000 0.764 164 V C 1.261 177.002 176.094 -0.589 0.000 2.311 164 V CA 1.212 63.075 62.300 -0.728 0.000 3.468 164 V CB 0.020 31.302 31.823 -0.902 0.000 0.925 164 V HN 1.040 nan 8.190 nan 0.000 0.552 165 T N 1.244 115.610 114.554 -0.313 0.000 2.881 165 T HA -0.096 4.254 4.350 -0.000 0.000 0.270 165 T C 1.748 176.450 174.700 0.003 0.000 1.068 165 T CA 2.002 64.048 62.100 -0.091 0.000 1.131 165 T CB -0.181 68.623 68.868 -0.105 0.000 0.871 165 T HN 0.478 nan 8.240 nan 0.000 0.479 166 L N -0.616 120.569 121.223 -0.062 0.000 2.131 166 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 166 L C 2.429 179.416 176.870 0.194 0.000 1.092 166 L CA 1.058 55.931 54.840 0.055 0.000 0.759 166 L CB -0.619 41.476 42.059 0.059 0.000 0.903 166 L HN 0.372 nan 8.230 nan 0.000 0.435 167 W N -0.433 120.796 121.300 -0.119 0.000 2.364 167 W HA -0.185 4.475 4.660 -0.000 0.000 0.281 167 W C 1.857 178.119 176.519 -0.429 0.000 1.219 167 W CA 0.510 57.657 57.345 -0.331 0.000 1.220 167 W CB -1.130 27.961 29.460 -0.616 0.000 1.127 167 W HN 0.227 nan 8.180 nan 0.000 0.556 168 Y N -0.873 119.645 120.300 0.364 0.000 2.507 168 Y HA 0.256 4.806 4.550 -0.000 0.000 0.254 168 Y C 1.270 177.391 175.900 0.368 0.000 1.171 168 Y CA -0.756 57.553 58.100 0.348 0.000 1.238 168 Y CB -0.421 38.169 38.460 0.216 0.000 1.148 168 Y HN -0.306 nan 8.280 nan 0.000 0.525 169 R N 1.974 122.659 120.500 0.310 0.000 2.347 169 R HA 0.494 4.834 4.340 -0.000 0.000 0.304 169 R C 0.192 176.430 176.300 -0.103 0.000 1.072 169 R CA -0.165 56.005 56.100 0.117 0.000 0.980 169 R CB 0.404 30.716 30.300 0.019 0.000 0.986 169 R HN 0.217 nan 8.270 nan 0.000 0.448 170 A N 6.626 129.278 122.820 -0.280 0.000 2.483 170 A HA 0.165 4.485 4.320 -0.000 0.000 0.238 170 A C -1.488 175.726 177.584 -0.616 0.000 1.070 170 A CA -1.180 50.358 52.037 -0.831 0.000 0.770 170 A CB 0.155 18.936 19.000 -0.364 0.000 1.008 170 A HN 0.785 nan 8.150 nan 0.000 0.497 171 P HA -0.214 nan 4.420 nan 0.000 0.218 171 P C 0.998 178.379 177.300 0.135 0.000 1.149 171 P CA 1.563 64.527 63.100 -0.226 0.000 0.817 171 P CB 0.065 31.723 31.700 -0.070 0.000 0.785 172 E N 0.589 120.909 120.200 0.200 0.000 2.204 172 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 172 E C 2.131 178.826 176.600 0.158 0.000 0.990 172 E CA 0.940 57.558 56.400 0.363 0.000 0.821 172 E CB -1.132 28.807 29.700 0.398 0.000 0.750 172 E HN 0.321 nan 8.360 nan 0.000 0.477 173 I N 0.948 121.535 120.570 0.028 0.000 2.286 173 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 173 I C 2.613 178.718 176.117 -0.021 0.000 1.104 173 I CA 0.665 61.949 61.300 -0.026 0.000 1.397 173 I CB -0.209 37.708 38.000 -0.139 0.000 1.072 173 I HN 0.005 nan 8.210 nan 0.000 0.417 174 L N 0.286 121.484 121.223 -0.042 0.000 2.191 174 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 174 L C 2.045 178.921 176.870 0.011 0.000 1.103 174 L CA 1.120 55.931 54.840 -0.049 0.000 0.769 174 L CB -0.307 41.687 42.059 -0.108 0.000 0.908 174 L HN 0.295 nan 8.230 nan 0.000 0.438 175 L N -0.495 120.773 121.223 0.074 0.000 2.611 175 L HA 0.202 4.542 4.340 -0.000 0.000 0.229 175 L C 1.247 178.166 176.870 0.082 0.000 1.137 175 L CA 0.313 55.224 54.840 0.118 0.000 0.901 175 L CB -0.203 41.948 42.059 0.152 0.000 1.098 175 L HN 0.428 nan 8.230 nan 0.000 0.456 176 G N 0.615 109.450 108.800 0.058 0.000 2.160 176 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.244 176 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.244 176 G C 0.497 175.427 174.900 0.050 0.000 1.022 176 G CA 0.014 45.139 45.100 0.042 0.000 0.741 176 G HN 0.497 nan 8.290 nan 0.000 0.508 177 C N -0.779 118.574 119.300 0.088 0.000 2.550 177 C HA 0.405 4.865 4.460 -0.000 0.000 0.406 177 C C 2.103 177.133 174.990 0.066 0.000 1.366 177 C CA 0.497 59.580 59.018 0.109 0.000 1.712 177 C CB 0.588 28.445 27.740 0.195 0.000 2.613 177 C HN 0.675 nan 8.230 nan 0.000 0.608 178 K N 1.495 121.902 120.400 0.013 0.000 2.026 178 K HA -0.073 4.247 4.320 -0.000 0.000 0.208 178 K C -0.259 176.150 176.600 -0.319 0.000 1.048 178 K CA 1.337 57.528 56.287 -0.160 0.000 0.929 178 K CB -0.028 32.376 32.500 -0.161 0.000 0.713 178 K HN 0.824 nan 8.250 nan 0.000 0.439 179 Y N 0.010 120.349 120.300 0.066 0.000 2.373 179 Y HA 0.224 4.774 4.550 -0.000 0.000 0.336 179 Y C -0.514 175.428 175.900 0.070 0.000 0.979 179 Y CA -1.466 56.632 58.100 -0.003 0.000 1.080 179 Y CB 1.298 39.736 38.460 -0.036 0.000 1.190 179 Y HN 0.022 nan 8.280 nan 0.000 0.446 180 Y N -0.137 120.285 120.300 0.203 0.000 2.565 180 Y HA 0.879 5.429 4.550 -0.000 0.000 0.325 180 Y C 0.173 176.152 175.900 0.130 0.000 1.221 180 Y CA -1.070 57.116 58.100 0.144 0.000 1.316 180 Y CB 0.858 39.376 38.460 0.098 0.000 1.404 180 Y HN 0.475 nan 8.280 nan 0.000 0.527 181 S N -1.786 114.088 115.700 0.289 0.000 2.811 181 S HA 0.285 4.755 4.470 -0.000 0.000 0.311 181 S C 0.657 175.334 174.600 0.127 0.000 1.152 181 S CA -0.230 58.047 58.200 0.129 0.000 0.864 181 S CB 0.779 64.029 63.200 0.082 0.000 1.226 181 S HN 0.972 nan 8.310 nan 0.000 0.541 182 T N -1.548 112.979 114.554 -0.045 0.000 2.946 182 T HA -0.030 4.320 4.350 -0.000 0.000 0.271 182 T C 1.905 176.549 174.700 -0.093 0.000 1.104 182 T CA 1.216 63.141 62.100 -0.292 0.000 1.114 182 T CB -1.034 67.397 68.868 -0.729 0.000 0.867 182 T HN 1.022 nan 8.240 nan 0.000 0.513 183 A N 1.870 124.714 122.820 0.040 0.000 2.076 183 A HA 0.053 4.373 4.320 -0.000 0.000 0.220 183 A C 2.673 180.372 177.584 0.192 0.000 1.160 183 A CA 1.576 53.688 52.037 0.123 0.000 0.653 183 A CB -1.096 17.970 19.000 0.110 0.000 0.801 183 A HN 0.813 nan 8.150 nan 0.000 0.455 184 V N -2.108 117.919 119.914 0.187 0.000 2.490 184 V HA -0.213 3.907 4.120 -0.000 0.000 0.250 184 V C 1.651 177.898 176.094 0.256 0.000 1.061 184 V CA 2.368 64.783 62.300 0.192 0.000 1.064 184 V CB -0.780 31.104 31.823 0.101 0.000 0.670 184 V HN 0.398 nan 8.190 nan 0.000 0.461 185 D N 0.547 121.105 120.400 0.264 0.000 2.183 185 D HA -0.015 4.625 4.640 -0.000 0.000 0.203 185 D C 2.183 178.632 176.300 0.248 0.000 0.969 185 D CA 1.222 55.386 54.000 0.274 0.000 0.842 185 D CB -0.034 40.995 40.800 0.382 0.000 0.957 185 D HN 0.425 nan 8.370 nan 0.000 0.484 186 I N 0.413 121.145 120.570 0.270 0.000 2.315 186 I HA -0.197 3.973 4.170 -0.000 0.000 0.248 186 I C 2.372 178.623 176.117 0.224 0.000 1.117 186 I CA 0.630 62.061 61.300 0.217 0.000 1.404 186 I CB -1.094 37.029 38.000 0.206 0.000 1.071 186 I HN 0.264 nan 8.210 nan 0.000 0.419 187 W N 2.381 123.748 121.300 0.111 0.000 2.333 187 W HA -0.240 4.420 4.660 -0.000 0.000 0.316 187 W C 2.543 179.150 176.519 0.146 0.000 1.215 187 W CA 1.991 59.403 57.345 0.112 0.000 1.278 187 W CB -0.451 29.066 29.460 0.095 0.000 1.154 187 W HN 0.097 nan 8.180 nan 0.000 0.486 188 S N 1.387 117.341 115.700 0.423 0.000 2.374 188 S HA -0.257 4.213 4.470 -0.000 0.000 0.227 188 S C 1.715 176.413 174.600 0.163 0.000 1.037 188 S CA 1.730 60.135 58.200 0.340 0.000 1.024 188 S CB -0.961 62.398 63.200 0.264 0.000 0.861 188 S HN 0.259 nan 8.310 nan 0.000 0.456 189 L N 2.055 123.335 121.223 0.096 0.000 2.093 189 L HA 0.080 4.420 4.340 -0.000 0.000 0.208 189 L C 2.261 179.170 176.870 0.066 0.000 1.085 189 L CA 1.787 56.656 54.840 0.048 0.000 0.755 189 L CB -1.362 40.715 42.059 0.030 0.000 0.904 189 L HN 0.309 nan 8.230 nan 0.000 0.435 190 G N -1.394 107.416 108.800 0.015 0.000 2.422 190 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 190 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 190 G C 1.591 176.423 174.900 -0.114 0.000 1.146 190 G CA 1.002 46.084 45.100 -0.030 0.000 0.769 190 G HN 0.523 nan 8.290 nan 0.000 0.547 191 C N 0.285 119.496 119.300 -0.147 0.000 2.440 191 C HA 0.095 4.555 4.460 -0.000 0.000 0.278 191 C C 2.805 177.822 174.990 0.044 0.000 1.295 191 C CA 0.295 59.244 59.018 -0.115 0.000 1.738 191 C CB -0.899 26.879 27.740 0.063 0.000 1.987 191 C HN 0.469 nan 8.230 nan 0.000 0.492 192 I N 0.086 120.746 120.570 0.149 0.000 2.315 192 I HA -0.163 4.007 4.170 -0.000 0.000 0.248 192 I C 2.453 178.661 176.117 0.151 0.000 1.117 192 I CA 1.280 62.667 61.300 0.144 0.000 1.404 192 I CB -0.536 37.487 38.000 0.039 0.000 1.071 192 I HN 0.250 nan 8.210 nan 0.000 0.419 193 F N 2.434 122.356 119.950 -0.047 0.000 2.069 193 F HA -0.243 4.284 4.527 0.000 0.000 0.298 193 F C 2.482 178.211 175.800 -0.117 0.000 1.113 193 F CA 1.440 59.405 58.000 -0.059 0.000 1.214 193 F CB -0.924 38.016 39.000 -0.101 0.000 0.978 193 F HN 0.028 nan 8.300 nan 0.000 0.474 194 A N -0.129 122.518 122.820 -0.288 0.000 1.940 194 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 194 A C 2.295 179.714 177.584 -0.276 0.000 1.176 194 A CA 1.815 53.569 52.037 -0.472 0.000 0.631 194 A CB -1.043 17.630 19.000 -0.545 0.000 0.814 194 A HN 0.602 nan 8.150 nan 0.000 0.446 195 E N -0.708 119.409 120.200 -0.140 0.000 2.072 195 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 195 E C 2.061 178.646 176.600 -0.024 0.000 0.985 195 E CA 1.160 57.518 56.400 -0.071 0.000 0.801 195 E CB -0.192 29.534 29.700 0.043 0.000 0.750 195 E HN 0.650 nan 8.360 nan 0.000 0.452 196 M N 0.052 119.677 119.600 0.041 0.000 2.117 196 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 196 M C 2.286 178.604 176.300 0.031 0.000 1.065 196 M CA 1.053 56.401 55.300 0.081 0.000 1.114 196 M CB -0.003 32.710 32.600 0.189 0.000 1.361 196 M HN 0.103 nan 8.290 nan 0.000 0.408 197 V N 0.056 119.961 119.914 -0.016 0.000 2.358 197 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 197 V C 2.501 178.534 176.094 -0.103 0.000 1.047 197 V CA 2.285 64.545 62.300 -0.067 0.000 1.035 197 V CB -1.031 30.677 31.823 -0.192 0.000 0.658 197 V HN 0.631 nan 8.190 nan 0.000 0.452 198 T N -3.135 111.333 114.554 -0.144 0.000 3.057 198 T HA 0.061 4.411 4.350 -0.000 0.000 0.254 198 T C 1.064 175.699 174.700 -0.109 0.000 1.094 198 T CA 0.263 62.277 62.100 -0.143 0.000 1.088 198 T CB -0.054 68.696 68.868 -0.197 0.000 0.934 198 T HN 0.488 nan 8.240 nan 0.000 0.497 199 R N -0.137 120.311 120.500 -0.086 0.000 3.872 199 R HA -0.108 4.232 4.340 -0.000 0.000 0.341 199 R C 0.044 176.304 176.300 -0.067 0.000 1.172 199 R CA 0.749 56.810 56.100 -0.064 0.000 0.901 199 R CB -1.981 28.281 30.300 -0.063 0.000 1.422 199 R HN 0.578 nan 8.270 nan 0.000 0.523 200 R N 0.057 120.500 120.500 -0.095 0.000 2.643 200 R HA 0.603 4.943 4.340 -0.000 0.000 0.269 200 R C -1.085 175.122 176.300 -0.155 0.000 1.037 200 R CA 0.023 56.055 56.100 -0.112 0.000 0.894 200 R CB 1.597 31.811 30.300 -0.145 0.000 1.238 200 R HN 0.134 nan 8.270 nan 0.000 0.459 201 A N 2.923 125.644 122.820 -0.165 0.000 2.531 201 A HA 0.068 4.388 4.320 -0.000 0.000 0.236 201 A C 0.797 178.133 177.584 -0.413 0.000 1.062 201 A CA -0.215 51.680 52.037 -0.236 0.000 0.760 201 A CB 0.345 19.130 19.000 -0.357 0.000 0.995 201 A HN 0.712 nan 8.150 nan 0.000 0.501 202 L N 1.377 122.299 121.223 -0.501 0.000 2.068 202 L HA 0.214 4.554 4.340 -0.000 0.000 0.204 202 L C 0.068 176.406 176.870 -0.888 0.000 1.076 202 L CA 1.792 56.154 54.840 -0.797 0.000 0.753 202 L CB -0.246 41.168 42.059 -1.075 0.000 0.910 202 L HN 0.597 nan 8.230 nan 0.000 0.439 203 F N 1.138 120.863 119.950 -0.375 0.000 2.660 203 F HA 0.400 4.927 4.527 -0.000 0.000 0.352 203 F C -2.154 173.272 175.800 -0.623 0.000 1.257 203 F CA -2.706 55.075 58.000 -0.365 0.000 1.200 203 F CB 0.275 39.167 39.000 -0.179 0.000 1.473 203 F HN -0.001 nan 8.300 nan 0.000 0.561 204 P HA 0.160 nan 4.420 nan 0.000 0.231 204 P C 0.588 177.464 177.300 -0.706 0.000 1.811 204 P CA 0.323 62.443 63.100 -1.633 0.000 1.051 204 P CB 0.463 31.237 31.700 -1.544 0.000 1.951 205 G N 2.175 110.803 108.800 -0.286 0.000 2.599 205 G HA2 0.231 4.191 3.960 -0.000 0.000 0.264 205 G HA3 0.231 4.191 3.960 -0.000 0.000 0.264 205 G C 0.321 175.318 174.900 0.162 0.000 1.200 205 G CA -0.451 44.636 45.100 -0.023 0.000 0.896 205 G HN 0.317 nan 8.290 nan 0.000 0.536 206 D N -2.755 117.684 120.400 0.063 0.000 2.469 206 D HA 0.200 4.840 4.640 -0.000 0.000 0.215 206 D C 0.625 176.924 176.300 -0.001 0.000 1.154 206 D CA 0.330 54.369 54.000 0.066 0.000 0.832 206 D CB 0.391 41.216 40.800 0.042 0.000 1.008 206 D HN 0.530 nan 8.370 nan 0.000 0.506 207 S N -1.630 114.049 115.700 -0.035 0.000 2.595 207 S HA 0.285 4.755 4.470 -0.000 0.000 0.270 207 S C 0.348 174.879 174.600 -0.116 0.000 1.145 207 S CA -0.862 57.292 58.200 -0.077 0.000 0.825 207 S CB 1.424 64.570 63.200 -0.091 0.000 1.107 207 S HN -0.139 nan 8.310 nan 0.000 0.461 208 E N 0.032 120.155 120.200 -0.128 0.000 2.058 208 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 208 E C 1.638 178.078 176.600 -0.266 0.000 0.997 208 E CA 1.565 57.869 56.400 -0.160 0.000 0.801 208 E CB -0.274 29.348 29.700 -0.129 0.000 0.746 208 E HN 0.560 nan 8.360 nan 0.000 0.450 209 I N 1.597 121.980 120.570 -0.312 0.000 2.286 209 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 209 I C 1.845 177.541 176.117 -0.701 0.000 1.115 209 I CA 1.577 62.536 61.300 -0.567 0.000 1.392 209 I CB -0.141 37.552 38.000 -0.513 0.000 1.065 209 I HN 0.004 nan 8.210 nan 0.000 0.418 210 D N -0.819 119.346 120.400 -0.392 0.000 2.144 210 D HA -0.254 4.386 4.640 -0.000 0.000 0.200 210 D C 2.141 178.294 176.300 -0.245 0.000 0.978 210 D CA 1.020 54.862 54.000 -0.263 0.000 0.833 210 D CB -0.033 40.689 40.800 -0.130 0.000 0.961 210 D HN 0.345 nan 8.370 nan 0.000 0.470 211 Q N -0.215 119.441 119.800 -0.239 0.000 2.046 211 Q HA -0.074 4.266 4.340 -0.000 0.000 0.200 211 Q C 2.018 177.812 176.000 -0.344 0.000 0.975 211 Q CA 1.088 56.767 55.803 -0.206 0.000 0.836 211 Q CB -0.588 28.072 28.738 -0.130 0.000 0.896 211 Q HN 0.385 nan 8.270 nan 0.000 0.428 212 L N -0.508 120.429 121.223 -0.477 0.000 2.042 212 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 212 L C 1.886 178.249 176.870 -0.844 0.000 1.076 212 L CA 1.629 56.021 54.840 -0.746 0.000 0.749 212 L CB -0.586 40.948 42.059 -0.875 0.000 0.893 212 L HN 0.259 nan 8.230 nan 0.000 0.432 213 F N -0.091 119.431 119.950 -0.713 0.000 2.234 213 F HA -0.101 4.426 4.527 -0.000 0.000 0.299 213 F C 2.642 178.086 175.800 -0.593 0.000 1.087 213 F CA 0.977 58.636 58.000 -0.568 0.000 1.340 213 F CB -1.000 37.849 39.000 -0.252 0.000 1.031 213 F HN 0.120 nan 8.300 nan 0.000 0.500 214 R N 0.062 120.410 120.500 -0.254 0.000 2.075 214 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 214 R C 2.281 178.422 176.300 -0.265 0.000 1.126 214 R CA 1.298 57.266 56.100 -0.221 0.000 0.963 214 R CB -0.440 29.796 30.300 -0.107 0.000 0.858 214 R HN 0.240 nan 8.270 nan 0.000 0.435 215 I N -0.003 120.272 120.570 -0.492 0.000 2.179 215 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 215 I C 1.764 177.886 176.117 0.009 0.000 1.088 215 I CA 1.109 62.024 61.300 -0.642 0.000 1.357 215 I CB -0.250 37.441 38.000 -0.514 0.000 1.051 215 I HN 0.052 nan 8.210 nan 0.000 0.409 216 F N 0.907 120.816 119.950 -0.068 0.000 2.134 216 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 216 F C 2.643 178.396 175.800 -0.078 0.000 1.097 216 F CA 1.236 59.283 58.000 0.079 0.000 1.264 216 F CB -1.187 37.932 39.000 0.198 0.000 1.001 216 F HN 0.059 nan 8.300 nan 0.000 0.479 217 R N -0.318 119.954 120.500 -0.380 0.000 2.189 217 R HA -0.111 4.229 4.340 -0.000 0.000 0.223 217 R C 1.685 177.893 176.300 -0.154 0.000 1.092 217 R CA 1.692 57.376 56.100 -0.694 0.000 0.989 217 R CB -0.120 29.588 30.300 -0.987 0.000 0.876 217 R HN 0.219 nan 8.270 nan 0.000 0.457 218 T N 0.192 114.760 114.554 0.023 0.000 2.988 218 T HA 0.113 4.463 4.350 -0.000 0.000 0.240 218 T C 1.478 176.305 174.700 0.212 0.000 1.014 218 T CA 0.492 62.682 62.100 0.151 0.000 1.155 218 T CB 0.165 69.233 68.868 0.332 0.000 0.872 218 T HN 0.131 nan 8.240 nan 0.000 0.440 219 L N 0.726 122.105 121.223 0.260 0.000 2.592 219 L HA 0.395 4.735 4.340 -0.000 0.000 0.227 219 L C 1.108 178.182 176.870 0.340 0.000 1.127 219 L CA -0.243 54.756 54.840 0.264 0.000 0.884 219 L CB -0.433 41.711 42.059 0.142 0.000 1.065 219 L HN 0.426 nan 8.230 nan 0.000 0.457 220 G N 0.146 109.147 108.800 0.334 0.000 2.719 220 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.686 220 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.686 220 G C -0.289 174.757 174.900 0.243 0.000 1.201 220 G CA -0.860 44.415 45.100 0.292 0.000 0.768 220 G HN -0.061 nan 8.290 nan 0.000 0.629 221 T N 4.881 119.482 114.554 0.078 0.000 2.799 221 T HA 0.484 4.834 4.350 -0.000 0.000 0.296 221 T C -1.319 173.165 174.700 -0.360 0.000 0.947 221 T CA 0.106 61.982 62.100 -0.373 0.000 1.141 221 T CB 1.175 69.887 68.868 -0.261 0.000 0.891 221 T HN 0.640 nan 8.240 nan 0.000 0.533 222 P HA 0.271 nan 4.420 nan 0.000 0.271 222 P C -0.920 176.253 177.300 -0.211 0.000 1.218 222 P CA -0.381 62.456 63.100 -0.438 0.000 0.780 222 P CB 0.816 32.103 31.700 -0.687 0.000 0.901 223 D N -0.058 120.281 120.400 -0.102 0.000 2.714 223 D HA 0.176 4.816 4.640 -0.000 0.000 0.278 223 D C 0.860 177.122 176.300 -0.064 0.000 1.102 223 D CA -0.631 53.315 54.000 -0.091 0.000 1.108 223 D CB 0.223 40.992 40.800 -0.052 0.000 1.444 223 D HN 0.128 nan 8.370 nan 0.000 0.568 224 E N -0.434 119.715 120.200 -0.085 0.000 2.204 224 E HA -0.063 4.287 4.350 -0.000 0.000 0.195 224 E C 2.028 178.643 176.600 0.026 0.000 0.990 224 E CA 0.651 57.019 56.400 -0.052 0.000 0.821 224 E CB -0.139 29.515 29.700 -0.076 0.000 0.750 224 E HN 0.350 nan 8.360 nan 0.000 0.477 225 V N 1.378 121.309 119.914 0.028 0.000 2.270 225 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 225 V C 2.692 178.848 176.094 0.102 0.000 1.043 225 V CA 1.870 64.203 62.300 0.054 0.000 1.014 225 V CB -0.826 31.019 31.823 0.037 0.000 0.645 225 V HN 0.238 nan 8.190 nan 0.000 0.447 226 V N -4.068 115.915 119.914 0.115 0.000 2.591 226 V HA -0.023 4.097 4.120 -0.000 0.000 0.249 226 V C 0.888 177.164 176.094 0.302 0.000 1.053 226 V CA 0.920 63.321 62.300 0.168 0.000 1.068 226 V CB -0.155 31.750 31.823 0.137 0.000 0.689 226 V HN 0.600 nan 8.190 nan 0.000 0.462 227 W N 2.334 123.661 121.300 0.045 0.000 2.481 227 W HA 0.624 5.284 4.660 -0.000 0.000 0.285 227 W C -3.351 173.175 176.519 0.012 0.000 1.017 227 W CA -3.485 53.902 57.345 0.069 0.000 1.499 227 W CB 0.737 30.217 29.460 0.034 0.000 1.381 227 W HN 0.117 nan 8.180 nan 0.000 0.390 228 P HA 0.217 nan 4.420 nan 0.000 0.264 228 P C 0.858 178.182 177.300 0.040 0.000 1.193 228 P CA 2.449 65.626 63.100 0.128 0.000 0.763 228 P CB 0.785 32.566 31.700 0.135 0.000 0.810 229 G N 1.920 110.648 108.800 -0.119 0.000 2.217 229 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.246 229 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.246 229 G C 1.036 175.667 174.900 -0.447 0.000 0.990 229 G CA 0.168 45.145 45.100 -0.205 0.000 0.627 229 G HN 0.508 nan 8.290 nan 0.000 0.522 230 V N 1.928 121.418 119.914 -0.708 0.000 2.332 230 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 230 V C 3.035 178.599 176.094 -0.883 0.000 1.055 230 V CA 3.942 65.635 62.300 -1.011 0.000 1.038 230 V CB -0.566 30.607 31.823 -1.084 0.000 0.651 230 V HN 1.172 nan 8.190 nan 0.000 0.450 231 T N -3.337 110.663 114.554 -0.924 0.000 3.098 231 T HA -0.032 4.318 4.350 -0.000 0.000 0.266 231 T C 1.478 175.818 174.700 -0.600 0.000 1.145 231 T CA 1.382 62.714 62.100 -1.279 0.000 1.092 231 T CB -0.171 68.211 68.868 -0.810 0.000 0.908 231 T HN 0.464 nan 8.240 nan 0.000 0.526 232 S N 0.504 115.975 115.700 -0.382 0.000 2.559 232 S HA 0.406 4.876 4.470 -0.000 0.000 0.226 232 S C 0.561 175.088 174.600 -0.122 0.000 1.000 232 S CA -0.518 57.572 58.200 -0.185 0.000 0.948 232 S CB -0.048 63.066 63.200 -0.144 0.000 0.870 232 S HN 0.387 nan 8.310 nan 0.000 0.497 233 M N 2.124 121.631 119.600 -0.156 0.000 2.252 233 M HA 0.137 4.617 4.480 -0.000 0.000 0.333 233 M C -1.582 174.724 176.300 0.010 0.000 1.111 233 M CA -1.835 53.420 55.300 -0.075 0.000 1.140 233 M CB -0.670 31.866 32.600 -0.106 0.000 1.538 233 M HN -0.140 nan 8.290 nan 0.000 0.448 234 P HA -0.207 nan 4.420 nan 0.000 0.219 234 P C 0.277 177.597 177.300 0.033 0.000 1.161 234 P CA 1.641 64.751 63.100 0.017 0.000 0.909 234 P CB 0.178 31.884 31.700 0.011 0.000 0.793 235 D N -3.460 116.978 120.400 0.063 0.000 2.368 235 D HA 0.030 4.670 4.640 -0.000 0.000 0.218 235 D C 0.217 176.585 176.300 0.113 0.000 1.112 235 D CA -0.217 53.828 54.000 0.074 0.000 0.834 235 D CB -0.467 40.380 40.800 0.078 0.000 0.953 235 D HN 0.245 nan 8.370 nan 0.000 0.505 236 Y N 2.284 122.577 120.300 -0.010 0.000 2.425 236 Y HA 0.112 4.662 4.550 -0.000 0.000 0.331 236 Y C -0.019 175.654 175.900 -0.377 0.000 1.157 236 Y CA 0.031 58.087 58.100 -0.074 0.000 1.372 236 Y CB 0.514 38.920 38.460 -0.089 0.000 1.253 236 Y HN -0.363 nan 8.280 nan 0.000 0.536 237 K N 7.617 126.960 120.400 -1.761 0.000 2.463 237 K HA 0.259 4.579 4.320 -0.000 0.000 0.255 237 K C -2.429 173.331 176.600 -1.401 0.000 0.942 237 K CA -1.949 53.566 56.287 -1.287 0.000 0.814 237 K CB 1.681 33.557 32.500 -1.041 0.000 1.122 237 K HN 0.394 nan 8.250 nan 0.000 0.425 238 P HA -0.150 nan 4.420 nan 0.000 0.223 238 P C 0.981 178.136 177.300 -0.242 0.000 1.144 238 P CA 1.087 64.040 63.100 -0.245 0.000 0.783 238 P CB 0.275 31.947 31.700 -0.046 0.000 0.771 239 S N -2.351 113.177 115.700 -0.287 0.000 2.555 239 S HA -0.043 4.427 4.470 -0.000 0.000 0.230 239 S C 0.642 175.238 174.600 -0.007 0.000 0.978 239 S CA -0.010 58.113 58.200 -0.128 0.000 0.934 239 S CB -1.155 61.994 63.200 -0.085 0.000 0.766 239 S HN -0.117 nan 8.310 nan 0.000 0.533 240 F N 3.574 123.459 119.950 -0.108 0.000 2.607 240 F HA 0.343 4.870 4.527 -0.000 0.000 0.374 240 F C -1.864 173.795 175.800 -0.235 0.000 1.104 240 F CA -2.696 55.272 58.000 -0.053 0.000 1.296 240 F CB -0.909 38.125 39.000 0.056 0.000 1.085 240 F HN 0.048 nan 8.300 nan 0.000 0.584 241 P HA 0.027 nan 4.420 nan 0.000 0.269 241 P C -0.439 176.503 177.300 -0.597 0.000 1.215 241 P CA -0.278 62.407 63.100 -0.692 0.000 0.780 241 P CB 0.552 31.383 31.700 -1.448 0.000 0.898 242 K N 3.272 123.353 120.400 -0.532 0.000 2.316 242 K HA 0.218 4.538 4.320 -0.000 0.000 0.267 242 K C -1.291 175.119 176.600 -0.317 0.000 1.025 242 K CA -0.290 55.824 56.287 -0.289 0.000 0.896 242 K CB 0.292 32.689 32.500 -0.171 0.000 1.124 242 K HN 0.487 nan 8.250 nan 0.000 0.451 243 W N 1.819 123.096 121.300 -0.038 0.000 2.578 243 W HA 0.512 5.172 4.660 -0.000 0.000 0.346 243 W C 0.044 176.570 176.519 0.012 0.000 1.075 243 W CA -1.017 56.327 57.345 -0.002 0.000 1.233 243 W CB 1.853 31.335 29.460 0.037 0.000 1.358 243 W HN 0.538 nan 8.180 nan 0.000 0.574 244 A N 2.777 125.754 122.820 0.261 0.000 2.304 244 A HA 0.516 4.836 4.320 -0.000 0.000 0.301 244 A C 0.127 177.814 177.584 0.172 0.000 1.132 244 A CA -0.690 51.444 52.037 0.160 0.000 0.819 244 A CB 0.606 19.669 19.000 0.105 0.000 1.094 244 A HN 0.681 nan 8.150 nan 0.000 0.492 245 R N 1.242 121.821 120.500 0.132 0.000 2.590 245 R HA 0.132 4.472 4.340 -0.000 0.000 0.274 245 R C -0.517 175.838 176.300 0.091 0.000 1.061 245 R CA -0.073 56.101 56.100 0.123 0.000 1.081 245 R CB 0.351 30.701 30.300 0.084 0.000 0.984 245 R HN 0.735 nan 8.270 nan 0.000 0.448 246 Q N 2.036 121.899 119.800 0.105 0.000 2.227 246 Q HA 0.176 4.516 4.340 -0.000 0.000 0.245 246 Q C -0.791 175.260 176.000 0.085 0.000 0.926 246 Q CA -0.380 55.477 55.803 0.090 0.000 0.895 246 Q CB 1.205 30.000 28.738 0.095 0.000 1.230 246 Q HN 0.601 nan 8.270 nan 0.000 0.450 247 D N 1.094 121.532 120.400 0.064 0.000 2.345 247 D HA 0.057 4.697 4.640 -0.000 0.000 0.247 247 D C 0.781 177.197 176.300 0.193 0.000 1.108 247 D CA -0.164 53.868 54.000 0.053 0.000 0.894 247 D CB 0.562 41.376 40.800 0.025 0.000 1.203 247 D HN 0.305 nan 8.370 nan 0.000 0.430 248 F N 0.953 120.865 119.950 -0.063 0.000 2.451 248 F HA -0.150 4.377 4.527 -0.000 0.000 0.299 248 F C 2.576 178.319 175.800 -0.096 0.000 1.101 248 F CA 0.464 58.406 58.000 -0.098 0.000 1.436 248 F CB -1.068 37.862 39.000 -0.118 0.000 1.074 248 F HN 0.274 nan 8.300 nan 0.000 0.553 249 S N -0.499 115.274 115.700 0.121 0.000 2.442 249 S HA -0.210 4.260 4.470 -0.000 0.000 0.236 249 S C 1.982 176.586 174.600 0.007 0.000 1.007 249 S CA 1.204 59.428 58.200 0.040 0.000 0.965 249 S CB -0.390 62.825 63.200 0.025 0.000 0.773 249 S HN 0.523 nan 8.310 nan 0.000 0.504 250 K N 0.730 121.142 120.400 0.020 0.000 2.214 250 K HA 0.164 4.484 4.320 -0.000 0.000 0.201 250 K C 1.817 178.385 176.600 -0.054 0.000 1.049 250 K CA 0.810 57.090 56.287 -0.012 0.000 0.978 250 K CB -0.012 32.492 32.500 0.007 0.000 0.842 250 K HN 0.282 nan 8.250 nan 0.000 0.474 251 V N 1.529 121.412 119.914 -0.052 0.000 2.453 251 V HA -0.102 4.018 4.120 -0.000 0.000 0.247 251 V C 1.199 177.118 176.094 -0.292 0.000 1.048 251 V CA 1.371 63.567 62.300 -0.174 0.000 1.049 251 V CB 0.442 32.145 31.823 -0.200 0.000 0.672 251 V HN 0.369 nan 8.190 nan 0.000 0.457 252 V N -3.873 115.864 119.914 -0.295 0.000 2.462 252 V HA 0.443 4.563 4.120 -0.000 0.000 0.257 252 V C -1.921 174.052 176.094 -0.201 0.000 0.944 252 V CA -1.482 60.621 62.300 -0.328 0.000 0.903 252 V CB 0.689 32.197 31.823 -0.526 0.000 1.128 252 V HN 0.163 nan 8.190 nan 0.000 0.486 253 P HA -0.092 nan 4.420 nan 0.000 0.217 253 P C -1.251 176.006 177.300 -0.072 0.000 1.158 253 P CA 2.364 65.413 63.100 -0.084 0.000 0.887 253 P CB -0.925 30.730 31.700 -0.074 0.000 0.792 254 P HA -0.071 nan 4.420 nan 0.000 0.222 254 P C 0.308 177.585 177.300 -0.038 0.000 1.147 254 P CA 0.776 63.843 63.100 -0.054 0.000 0.790 254 P CB -0.254 31.413 31.700 -0.055 0.000 0.780 255 L N 0.459 121.635 121.223 -0.078 0.000 2.426 255 L HA 0.093 4.433 4.340 -0.000 0.000 0.271 255 L C 0.911 177.780 176.870 -0.001 0.000 1.169 255 L CA -0.475 54.334 54.840 -0.053 0.000 0.836 255 L CB 0.146 42.100 42.059 -0.175 0.000 1.112 255 L HN 0.037 nan 8.230 nan 0.000 0.465 256 D N 0.053 120.483 120.400 0.049 0.000 2.539 256 D HA 0.074 4.714 4.640 -0.000 0.000 0.276 256 D C 0.700 177.040 176.300 0.066 0.000 1.206 256 D CA -0.636 53.399 54.000 0.059 0.000 1.081 256 D CB 0.472 41.319 40.800 0.077 0.000 1.142 256 D HN 0.469 nan 8.370 nan 0.000 0.595 257 E N -0.628 119.613 120.200 0.070 0.000 2.160 257 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 257 E C 0.986 177.654 176.600 0.112 0.000 0.991 257 E CA 1.536 57.980 56.400 0.075 0.000 0.810 257 E CB -0.286 29.450 29.700 0.060 0.000 0.742 257 E HN 0.421 nan 8.360 nan 0.000 0.466 258 D N -0.849 119.645 120.400 0.158 0.000 2.117 258 D HA -0.046 4.594 4.640 -0.000 0.000 0.198 258 D C 1.813 178.199 176.300 0.144 0.000 0.982 258 D CA 1.484 55.644 54.000 0.266 0.000 0.828 258 D CB -0.709 40.298 40.800 0.344 0.000 0.967 258 D HN 0.361 nan 8.370 nan 0.000 0.464 259 G N 0.510 109.327 108.800 0.029 0.000 2.402 259 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 259 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 259 G C 1.701 176.468 174.900 -0.222 0.000 1.162 259 G CA 0.298 45.186 45.100 -0.353 0.000 0.777 259 G HN 0.209 nan 8.290 nan 0.000 0.539 260 R N 0.313 120.786 120.500 -0.046 0.000 2.092 260 R HA -0.023 4.317 4.340 -0.000 0.000 0.231 260 R C 2.886 179.253 176.300 0.112 0.000 1.119 260 R CA 1.255 57.417 56.100 0.105 0.000 0.970 260 R CB -0.438 29.965 30.300 0.173 0.000 0.864 260 R HN 0.419 nan 8.270 nan 0.000 0.440 261 S N 1.175 116.921 115.700 0.076 0.000 2.356 261 S HA -0.137 4.333 4.470 -0.000 0.000 0.223 261 S C 1.930 176.558 174.600 0.045 0.000 1.032 261 S CA 1.093 59.369 58.200 0.127 0.000 1.005 261 S CB -0.142 63.229 63.200 0.284 0.000 0.867 261 S HN 0.236 nan 8.310 nan 0.000 0.449 262 L N 1.224 122.292 121.223 -0.258 0.000 2.056 262 L HA 0.121 4.461 4.340 -0.000 0.000 0.207 262 L C 2.184 178.992 176.870 -0.103 0.000 1.078 262 L CA 1.664 56.218 54.840 -0.476 0.000 0.749 262 L CB -0.935 40.588 42.059 -0.893 0.000 0.901 262 L HN 0.446 nan 8.230 nan 0.000 0.433 263 L N -0.448 120.756 121.223 -0.032 0.000 2.046 263 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 263 L C 2.769 179.692 176.870 0.089 0.000 1.077 263 L CA 2.166 56.996 54.840 -0.017 0.000 0.747 263 L CB -0.966 40.902 42.059 -0.317 0.000 0.896 263 L HN 0.611 nan 8.230 nan 0.000 0.432 264 S N -1.582 114.265 115.700 0.244 0.000 2.399 264 S HA -0.250 4.220 4.470 -0.000 0.000 0.231 264 S C 1.849 176.532 174.600 0.138 0.000 1.022 264 S CA 1.254 59.584 58.200 0.216 0.000 0.983 264 S CB -0.648 62.586 63.200 0.056 0.000 0.803 264 S HN 0.685 nan 8.310 nan 0.000 0.480 265 Q N 0.189 120.062 119.800 0.123 0.000 2.230 265 Q HA 0.182 4.522 4.340 -0.000 0.000 0.202 265 Q C 2.155 178.234 176.000 0.132 0.000 0.963 265 Q CA 1.162 57.051 55.803 0.144 0.000 0.866 265 Q CB -0.278 28.540 28.738 0.133 0.000 0.931 265 Q HN 0.636 nan 8.270 nan 0.000 0.452 266 M N -0.209 119.443 119.600 0.087 0.000 2.388 266 M HA -0.016 4.464 4.480 -0.000 0.000 0.265 266 M C 1.116 177.437 176.300 0.034 0.000 1.088 266 M CA 0.944 56.286 55.300 0.071 0.000 1.134 266 M CB 0.390 33.016 32.600 0.044 0.000 1.384 266 M HN 0.118 nan 8.290 nan 0.000 0.447 267 L N -0.684 120.520 121.223 -0.031 0.000 2.791 267 L HA 0.160 4.500 4.340 -0.000 0.000 0.239 267 L C 0.574 177.494 176.870 0.084 0.000 1.203 267 L CA -0.414 54.312 54.840 -0.190 0.000 1.002 267 L CB -0.516 41.303 42.059 -0.400 0.000 1.295 267 L HN 0.209 nan 8.230 nan 0.000 0.504 268 H N -0.318 118.797 119.070 0.075 0.000 2.848 268 H HA -0.064 4.492 4.556 -0.000 0.000 0.341 268 H C 0.477 175.829 175.328 0.040 0.000 1.060 268 H CA 0.677 56.755 56.048 0.050 0.000 1.444 268 H CB 0.933 30.722 29.762 0.045 0.000 1.446 268 H HN 0.077 nan 8.280 nan 0.000 0.583 269 Y N 1.676 121.975 120.300 -0.001 0.000 2.145 269 Y HA -0.192 4.358 4.550 -0.000 0.000 0.286 269 Y C 1.375 176.718 175.900 -0.927 0.000 1.145 269 Y CA 1.641 59.549 58.100 -0.320 0.000 1.148 269 Y CB -0.118 38.219 38.460 -0.206 0.000 0.981 269 Y HN 0.597 nan 8.280 nan 0.000 0.507 270 D N 0.426 120.638 120.400 -0.313 0.000 2.346 270 D HA 0.037 4.677 4.640 -0.000 0.000 0.260 270 D C -1.953 174.202 176.300 -0.241 0.000 1.252 270 D CA -2.012 51.636 54.000 -0.587 0.000 0.895 270 D CB 1.222 41.975 40.800 -0.079 0.000 1.097 270 D HN 0.026 nan 8.370 nan 0.000 0.489 271 P HA -0.127 nan 4.420 nan 0.000 0.216 271 P C 0.493 177.791 177.300 -0.003 0.000 1.150 271 P CA 1.283 64.370 63.100 -0.022 0.000 0.843 271 P CB 0.135 31.881 31.700 0.076 0.000 0.787 272 N N -1.264 117.437 118.700 0.002 0.000 2.512 272 N HA -0.059 4.681 4.740 -0.000 0.000 0.183 272 N C 1.273 176.743 175.510 -0.065 0.000 1.073 272 N CA 0.379 53.430 53.050 0.001 0.000 0.911 272 N CB 0.023 38.535 38.487 0.043 0.000 0.964 272 N HN 0.049 nan 8.380 nan 0.000 0.447 273 K N 0.491 120.783 120.400 -0.181 0.000 2.391 273 K HA 0.124 4.444 4.320 -0.000 0.000 0.197 273 K C 0.351 176.755 176.600 -0.326 0.000 1.087 273 K CA -0.109 55.966 56.287 -0.354 0.000 1.012 273 K CB 0.441 32.475 32.500 -0.775 0.000 0.925 273 K HN 0.080 nan 8.250 nan 0.000 0.547 274 R N 1.688 122.087 120.500 -0.168 0.000 2.570 274 R HA 0.098 4.438 4.340 -0.000 0.000 0.277 274 R C 0.157 176.478 176.300 0.035 0.000 1.039 274 R CA -0.040 56.064 56.100 0.006 0.000 1.065 274 R CB 0.170 30.528 30.300 0.097 0.000 0.964 274 R HN 0.050 nan 8.270 nan 0.000 0.428 275 I N 3.300 123.915 120.570 0.075 0.000 2.813 275 I HA -0.080 4.090 4.170 -0.000 0.000 0.287 275 I C 0.305 176.486 176.117 0.106 0.000 1.196 275 I CA 0.498 61.853 61.300 0.091 0.000 1.421 275 I CB 0.751 38.824 38.000 0.120 0.000 1.365 275 I HN 0.838 nan 8.210 nan 0.000 0.591 276 S N 5.701 121.463 115.700 0.104 0.000 2.645 276 S HA 0.439 4.909 4.470 -0.000 0.000 0.266 276 S C 0.992 175.670 174.600 0.130 0.000 1.258 276 S CA -0.217 58.057 58.200 0.122 0.000 0.990 276 S CB 1.630 64.894 63.200 0.106 0.000 0.967 276 S HN 0.803 nan 8.310 nan 0.000 0.556 277 A N 1.259 124.167 122.820 0.148 0.000 1.902 277 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 277 A C 2.154 179.762 177.584 0.041 0.000 1.181 277 A CA 1.741 53.824 52.037 0.077 0.000 0.623 277 A CB -0.962 18.053 19.000 0.026 0.000 0.818 277 A HN 0.952 nan 8.150 nan 0.000 0.443 278 K N -0.265 120.172 120.400 0.061 0.000 2.032 278 K HA -0.124 4.196 4.320 -0.000 0.000 0.209 278 K C 2.100 178.743 176.600 0.072 0.000 1.048 278 K CA 1.374 57.690 56.287 0.047 0.000 0.927 278 K CB -0.338 32.199 32.500 0.063 0.000 0.712 278 K HN 0.359 nan 8.250 nan 0.000 0.441 279 A N 0.804 123.682 122.820 0.097 0.000 1.969 279 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 279 A C 2.255 179.949 177.584 0.183 0.000 1.169 279 A CA 1.583 53.694 52.037 0.124 0.000 0.635 279 A CB -0.595 18.473 19.000 0.114 0.000 0.810 279 A HN 0.491 nan 8.150 nan 0.000 0.445 280 A N -0.051 122.881 122.820 0.186 0.000 1.933 280 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 280 A C 2.061 179.885 177.584 0.400 0.000 1.175 280 A CA 1.353 53.563 52.037 0.288 0.000 0.628 280 A CB -0.587 18.547 19.000 0.223 0.000 0.814 280 A HN 0.477 nan 8.150 nan 0.000 0.444 281 L N -0.953 120.372 121.223 0.170 0.000 2.187 281 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 281 L C 2.660 179.755 176.870 0.375 0.000 1.100 281 L CA 1.013 55.908 54.840 0.091 0.000 0.765 281 L CB -0.337 41.635 42.059 -0.145 0.000 0.904 281 L HN 0.435 nan 8.230 nan 0.000 0.437 282 A N -2.363 120.644 122.820 0.312 0.000 2.251 282 A HA -0.035 4.285 4.320 -0.000 0.000 0.209 282 A C 0.882 178.646 177.584 0.300 0.000 1.187 282 A CA -0.168 52.035 52.037 0.275 0.000 0.823 282 A CB -0.622 18.480 19.000 0.169 0.000 0.846 282 A HN 0.301 nan 8.150 nan 0.000 0.486 283 H N 0.676 119.954 119.070 0.348 0.000 2.815 283 H HA 0.092 4.648 4.556 -0.000 0.000 0.350 283 H C -1.796 173.660 175.328 0.212 0.000 1.080 283 H CA -1.109 55.091 56.048 0.254 0.000 1.433 283 H CB 1.139 31.040 29.762 0.230 0.000 1.432 283 H HN 0.004 nan 8.280 nan 0.000 0.592 284 P HA -0.174 nan 4.420 nan 0.000 0.220 284 P C 1.316 178.718 177.300 0.171 0.000 1.144 284 P CA 0.859 63.967 63.100 0.013 0.000 0.800 284 P CB -0.183 31.454 31.700 -0.106 0.000 0.772 285 F N -0.727 119.343 119.950 0.201 0.000 2.250 285 F HA -0.132 4.395 4.527 -0.000 0.000 0.301 285 F C 1.279 176.899 175.800 -0.301 0.000 1.077 285 F CA 1.315 59.236 58.000 -0.132 0.000 1.348 285 F CB -0.512 38.223 39.000 -0.441 0.000 1.040 285 F HN -0.164 nan 8.300 nan 0.000 0.509 286 F N 0.150 120.168 119.950 0.113 0.000 2.660 286 F HA 0.147 4.674 4.527 -0.000 0.000 0.302 286 F C 1.953 177.662 175.800 -0.151 0.000 1.103 286 F CA -0.154 57.794 58.000 -0.088 0.000 1.340 286 F CB -1.025 38.035 39.000 0.099 0.000 1.048 286 F HN -0.001 nan 8.300 nan 0.000 0.551 287 Q N 0.526 120.341 119.800 0.026 0.000 2.112 287 Q HA -0.208 4.132 4.340 -0.000 0.000 0.206 287 Q C 1.020 176.980 176.000 -0.067 0.000 0.987 287 Q CA 1.762 57.560 55.803 -0.009 0.000 0.858 287 Q CB -0.260 28.470 28.738 -0.012 0.000 0.905 287 Q HN 0.444 nan 8.270 nan 0.000 0.420 288 D N -0.295 120.039 120.400 -0.110 0.000 2.525 288 D HA 0.048 4.688 4.640 -0.000 0.000 0.229 288 D C -0.017 176.187 176.300 -0.160 0.000 1.202 288 D CA -0.247 53.679 54.000 -0.123 0.000 0.828 288 D CB -0.096 40.635 40.800 -0.116 0.000 1.008 288 D HN -0.064 nan 8.370 nan 0.000 0.493 289 V N 1.449 121.244 119.914 -0.199 0.000 2.740 289 V HA 0.376 4.496 4.120 -0.000 0.000 0.303 289 V C 0.421 176.380 176.094 -0.225 0.000 1.054 289 V CA 0.696 62.850 62.300 -0.243 0.000 1.106 289 V CB 0.927 32.495 31.823 -0.425 0.000 0.957 289 V HN 0.601 nan 8.190 nan 0.000 0.486 290 T N 3.170 117.622 114.554 -0.169 0.000 2.693 290 T HA 0.486 4.836 4.350 -0.000 0.000 0.278 290 T C -0.515 174.125 174.700 -0.100 0.000 0.994 290 T CA -0.824 61.201 62.100 -0.125 0.000 1.033 290 T CB 1.546 70.357 68.868 -0.095 0.000 1.342 290 T HN 0.615 nan 8.240 nan 0.000 0.538 291 K N 1.931 122.289 120.400 -0.070 0.000 2.606 291 K HA 0.435 4.755 4.320 -0.000 0.000 0.196 291 K C -2.669 173.899 176.600 -0.054 0.000 1.048 291 K CA -1.751 54.506 56.287 -0.049 0.000 1.017 291 K CB 0.363 32.849 32.500 -0.023 0.000 1.413 291 K HN 0.395 nan 8.250 nan 0.000 0.568 292 P HA 0.018 nan 4.420 nan 0.000 0.272 292 P C -0.826 176.434 177.300 -0.067 0.000 1.230 292 P CA -0.656 62.401 63.100 -0.073 0.000 0.788 292 P CB 0.820 32.462 31.700 -0.096 0.000 0.949 293 V N -0.832 119.061 119.914 -0.036 0.000 2.472 293 V HA 0.608 4.728 4.120 -0.000 0.000 0.290 293 V C -2.122 173.966 176.094 -0.010 0.000 1.037 293 V CA -2.234 60.052 62.300 -0.023 0.000 0.908 293 V CB 0.863 32.685 31.823 -0.002 0.000 0.985 293 V HN 0.478 nan 8.190 nan 0.000 0.454 294 P HA 0.234 nan 4.420 nan 0.000 0.277 294 P C -1.107 176.250 177.300 0.095 0.000 1.240 294 P CA -0.097 62.991 63.100 -0.021 0.000 0.798 294 P CB 0.662 32.158 31.700 -0.339 0.000 0.979 295 H N 2.251 121.411 119.070 0.150 0.000 2.820 295 H HA 0.402 4.958 4.556 -0.000 0.000 0.278 295 H C -0.747 174.689 175.328 0.180 0.000 1.142 295 H CA -0.257 55.872 56.048 0.135 0.000 1.346 295 H CB -0.752 29.089 29.762 0.131 0.000 1.438 295 H HN 0.179 nan 8.280 nan 0.000 0.473 296 L N 6.248 127.329 121.223 -0.237 0.000 2.295 296 L HA 0.417 4.757 4.340 -0.000 0.000 0.281 296 L C 0.376 177.092 176.870 -0.257 0.000 1.018 296 L CA -0.501 54.234 54.840 -0.176 0.000 0.841 296 L CB 1.244 43.237 42.059 -0.109 0.000 1.218 296 L HN 0.530 nan 8.230 nan 0.000 0.424 297 R N 4.222 124.571 120.500 -0.251 0.000 2.937 297 R HA 0.333 4.673 4.340 -0.000 0.000 0.264 297 R C -0.374 175.910 176.300 -0.026 0.000 1.334 297 R CA -0.761 55.251 56.100 -0.147 0.000 1.516 297 R CB 0.223 30.451 30.300 -0.119 0.000 1.187 297 R HN 0.556 nan 8.270 nan 0.000 0.609 298 L N 0.000 121.229 121.223 0.010 0.000 2.949 298 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 298 L CA 0.000 54.874 54.840 0.056 0.000 0.813 298 L CB 0.000 42.133 42.059 0.123 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502