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 3hdy_1_D DATA FIRST_RESID 29 DATA SEQUENCE GFDYLIVGAG FAGSVLAERL ASSGQRVLIV DRRPHIGGNA YDCYDDAGVL DATA SEQUENCE IHPYGPHIFH TNSKDVFEYL SRFTEWRPYQ HRVLASVDGQ LLPIPINLDT DATA SEQUENCE VNRLYGLNLT SFQVEEFFAS VAEKVEQVRT SEDVVVSKVG RDLYNKFFRG DATA SEQUENCE YTRKQWGLDP SELDASVTAR VPTRTNRDNR YFADTYQAMP LHGYTRMFQN DATA SEQUENCE MLSSPNIKVM LNTDYREIAD FIPFQHMIYT GPVDAFFDFC YGKLPYRSLE DATA SEQUENCE FRHETHDTEQ LLPTGTVNYP NDYAYTRVSE FKHITGQRHH QTSVVYEYPR DATA SEQUENCE AEGDPYYPVP RPENAELYKK YEALADAAQD VTFVGRLATY RYYNMDQVVA DATA SEQUENCE QALATFRRLQ G 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 29 G HA2 0.000 nan 3.960 nan 0.000 0.244 29 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 29 G C 0.000 174.674 174.900 -0.377 0.000 0.946 29 G CA 0.000 44.937 45.100 -0.273 0.000 0.502 30 F N 1.600 121.626 119.950 0.126 0.000 2.497 30 F HA 0.557 5.083 4.527 -0.000 0.000 0.331 30 F C 0.850 176.722 175.800 0.121 0.000 1.060 30 F CA -0.793 57.285 58.000 0.131 0.000 0.989 30 F CB 1.778 40.867 39.000 0.148 0.000 1.245 30 F HN 0.023 nan 8.300 nan 0.000 0.486 31 D N -0.201 120.388 120.400 0.315 0.000 2.216 31 D HA -0.033 4.606 4.640 -0.000 0.000 0.208 31 D C -0.560 175.703 176.300 -0.062 0.000 0.960 31 D CA 1.506 55.563 54.000 0.094 0.000 0.861 31 D CB 0.111 40.979 40.800 0.113 0.000 0.985 31 D HN 0.293 nan 8.370 nan 0.000 0.493 32 Y N 0.005 120.452 120.300 0.244 0.000 2.373 32 Y HA 0.367 4.916 4.550 -0.000 0.000 0.336 32 Y C -0.635 175.289 175.900 0.040 0.000 0.979 32 Y CA -1.187 57.015 58.100 0.171 0.000 1.080 32 Y CB 2.022 40.539 38.460 0.094 0.000 1.190 32 Y HN -0.247 nan 8.280 nan 0.000 0.446 33 L N 5.608 126.882 121.223 0.085 0.000 2.265 33 L HA 0.598 4.938 4.340 -0.000 0.000 0.289 33 L C -1.122 175.656 176.870 -0.154 0.000 1.033 33 L CA -0.410 54.288 54.840 -0.236 0.000 0.814 33 L CB 0.096 41.668 42.059 -0.811 0.000 1.203 33 L HN 0.494 nan 8.230 nan 0.000 0.423 34 I N 6.095 126.570 120.570 -0.158 0.000 2.321 34 I HA 0.298 4.468 4.170 -0.000 0.000 0.291 34 I C -0.519 175.473 176.117 -0.208 0.000 0.998 34 I CA -0.938 60.273 61.300 -0.148 0.000 1.227 34 I CB 1.652 39.575 38.000 -0.128 0.000 1.368 34 I HN 0.244 nan 8.210 nan 0.000 0.466 35 V N 5.630 125.390 119.914 -0.256 0.000 2.320 35 V HA 0.692 4.812 4.120 -0.000 0.000 0.265 35 V C 0.555 176.424 176.094 -0.375 0.000 1.048 35 V CA -0.338 61.763 62.300 -0.332 0.000 0.865 35 V CB 0.242 31.783 31.823 -0.469 0.000 1.043 35 V HN 1.092 nan 8.190 nan 0.000 0.474 36 G N 4.031 112.655 108.800 -0.293 0.000 3.233 36 G HA2 0.295 4.255 3.960 -0.000 0.000 0.686 36 G HA3 0.295 4.255 3.960 -0.000 0.000 0.686 36 G C -0.079 174.677 174.900 -0.239 0.000 1.153 36 G CA -0.249 44.679 45.100 -0.286 0.000 0.853 36 G HN 1.312 nan 8.290 nan 0.000 0.582 37 A N 1.490 124.157 122.820 -0.255 0.000 2.500 37 A HA 0.752 5.072 4.320 -0.000 0.000 0.267 37 A C 1.564 178.953 177.584 -0.325 0.000 1.290 37 A CA 1.285 53.172 52.037 -0.250 0.000 0.928 37 A CB -0.158 18.686 19.000 -0.260 0.000 1.066 37 A HN 2.154 nan 8.150 nan 0.000 0.516 38 G N -1.371 107.260 108.800 -0.281 0.000 2.525 38 G HA2 0.334 4.294 3.960 -0.000 0.000 0.276 38 G HA3 0.334 4.294 3.960 -0.000 0.000 0.276 38 G C 0.632 175.520 174.900 -0.020 0.000 1.388 38 G CA -0.402 44.525 45.100 -0.289 0.000 1.050 38 G HN 0.197 nan 8.290 nan 0.000 0.520 39 F N 0.545 120.626 119.950 0.219 0.000 2.120 39 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 39 F C 3.058 178.942 175.800 0.140 0.000 1.095 39 F CA 1.662 59.847 58.000 0.309 0.000 1.249 39 F CB -0.072 39.081 39.000 0.255 0.000 0.995 39 F HN 0.363 nan 8.300 nan 0.000 0.480 40 A N 0.168 123.141 122.820 0.256 0.000 1.858 40 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 40 A C 2.491 180.104 177.584 0.048 0.000 1.190 40 A CA 1.912 54.025 52.037 0.126 0.000 0.617 40 A CB -1.625 17.418 19.000 0.071 0.000 0.827 40 A HN 0.406 nan 8.150 nan 0.000 0.443 41 G N -1.334 107.459 108.800 -0.011 0.000 2.422 41 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.218 41 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.218 41 G C 1.779 176.651 174.900 -0.047 0.000 1.140 41 G CA 1.278 46.335 45.100 -0.070 0.000 0.775 41 G HN 0.487 nan 8.290 nan 0.000 0.545 42 S N -0.152 115.557 115.700 0.016 0.000 2.377 42 S HA -0.041 4.429 4.470 -0.000 0.000 0.223 42 S C 2.525 177.125 174.600 -0.001 0.000 1.030 42 S CA 0.817 59.031 58.200 0.023 0.000 0.970 42 S CB -0.146 63.153 63.200 0.164 0.000 0.830 42 S HN 0.161 nan 8.310 nan 0.000 0.473 43 V N 2.307 122.265 119.914 0.073 0.000 2.287 43 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 43 V C 2.181 178.237 176.094 -0.063 0.000 1.053 43 V CA 1.630 63.972 62.300 0.070 0.000 1.027 43 V CB -0.669 31.229 31.823 0.125 0.000 0.646 43 V HN 0.397 nan 8.190 nan 0.000 0.447 44 L N -0.256 120.919 121.223 -0.079 0.000 2.093 44 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 44 L C 2.694 179.456 176.870 -0.180 0.000 1.085 44 L CA 1.367 56.119 54.840 -0.147 0.000 0.755 44 L CB -0.708 41.282 42.059 -0.114 0.000 0.904 44 L HN 0.352 nan 8.230 nan 0.000 0.435 45 A N -0.499 122.243 122.820 -0.131 0.000 1.908 45 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 45 A C 2.327 179.841 177.584 -0.118 0.000 1.181 45 A CA 1.936 53.901 52.037 -0.119 0.000 0.627 45 A CB -0.465 18.475 19.000 -0.099 0.000 0.818 45 A HN 0.421 nan 8.150 nan 0.000 0.445 46 E N -0.159 119.964 120.200 -0.128 0.000 2.028 46 E HA -0.178 4.172 4.350 -0.000 0.000 0.190 46 E C 2.275 178.794 176.600 -0.135 0.000 0.984 46 E CA 0.780 57.112 56.400 -0.112 0.000 0.800 46 E CB -0.252 29.362 29.700 -0.144 0.000 0.758 46 E HN 0.416 nan 8.360 nan 0.000 0.448 47 R N 0.370 120.699 120.500 -0.285 0.000 2.082 47 R HA -0.155 4.185 4.340 -0.000 0.000 0.234 47 R C 2.559 178.577 176.300 -0.469 0.000 1.136 47 R CA 0.870 56.577 56.100 -0.655 0.000 0.935 47 R CB -1.228 28.186 30.300 -1.476 0.000 0.842 47 R HN 0.208 nan 8.270 nan 0.000 0.430 48 L N 0.769 121.812 121.223 -0.301 0.000 2.043 48 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 48 L C 2.543 179.425 176.870 0.020 0.000 1.075 48 L CA 2.088 56.895 54.840 -0.056 0.000 0.752 48 L CB -1.159 40.781 42.059 -0.199 0.000 0.891 48 L HN 0.220 nan 8.230 nan 0.000 0.432 49 A N -0.995 121.814 122.820 -0.019 0.000 1.930 49 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 49 A C 2.350 179.958 177.584 0.040 0.000 1.175 49 A CA 1.604 53.659 52.037 0.029 0.000 0.627 49 A CB -0.766 18.241 19.000 0.011 0.000 0.815 49 A HN 0.524 nan 8.150 nan 0.000 0.443 50 S N -0.154 115.554 115.700 0.014 0.000 2.607 50 S HA 0.032 4.502 4.470 -0.000 0.000 0.224 50 S C 1.149 175.793 174.600 0.072 0.000 0.969 50 S CA 0.943 59.166 58.200 0.038 0.000 0.927 50 S CB -0.435 62.782 63.200 0.028 0.000 0.772 50 S HN 0.885 nan 8.310 nan 0.000 0.533 51 S N -0.970 114.790 115.700 0.101 0.000 2.749 51 S HA 0.594 5.064 4.470 -0.000 0.000 0.246 51 S C 1.193 175.875 174.600 0.137 0.000 1.023 51 S CA 0.156 58.447 58.200 0.152 0.000 1.012 51 S CB 0.007 63.367 63.200 0.266 0.000 0.942 51 S HN 1.329 nan 8.310 nan 0.000 0.531 52 G N 1.071 109.940 108.800 0.114 0.000 2.175 52 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.244 52 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.244 52 G C -0.139 174.842 174.900 0.134 0.000 0.982 52 G CA -0.192 44.973 45.100 0.110 0.000 0.641 52 G HN 0.537 nan 8.290 nan 0.000 0.527 53 Q N 0.366 120.266 119.800 0.168 0.000 2.293 53 Q HA 0.412 4.752 4.340 -0.000 0.000 0.251 53 Q C 0.516 176.646 176.000 0.217 0.000 0.930 53 Q CA -0.148 55.792 55.803 0.227 0.000 0.893 53 Q CB 0.838 29.779 28.738 0.338 0.000 1.215 53 Q HN 0.487 nan 8.270 nan 0.000 0.425 54 R N 1.069 121.720 120.500 0.253 0.000 2.210 54 R HA 0.360 4.699 4.340 -0.000 0.000 0.338 54 R C -0.556 175.993 176.300 0.415 0.000 1.062 54 R CA -0.272 56.019 56.100 0.318 0.000 0.902 54 R CB 0.551 31.033 30.300 0.302 0.000 1.050 54 R HN 0.254 nan 8.270 nan 0.000 0.461 55 V N 5.000 125.068 119.914 0.257 0.000 2.513 55 V HA 0.311 4.431 4.120 -0.000 0.000 0.299 55 V C -0.548 175.389 176.094 -0.261 0.000 1.035 55 V CA -0.974 61.368 62.300 0.069 0.000 0.889 55 V CB 1.753 33.592 31.823 0.028 0.000 0.988 55 V HN 0.491 nan 8.190 nan 0.000 0.440 56 L N 6.424 127.286 121.223 -0.601 0.000 2.318 56 L HA 0.633 4.973 4.340 -0.000 0.000 0.277 56 L C -0.659 175.971 176.870 -0.401 0.000 1.008 56 L CA 0.107 54.469 54.840 -0.797 0.000 0.846 56 L CB 0.921 42.095 42.059 -1.475 0.000 1.220 56 L HN 0.672 nan 8.230 nan 0.000 0.423 57 I N 5.274 125.682 120.570 -0.270 0.000 2.331 57 I HA 0.527 4.697 4.170 -0.000 0.000 0.292 57 I C -1.071 174.932 176.117 -0.189 0.000 0.998 57 I CA -0.466 60.712 61.300 -0.204 0.000 1.267 57 I CB 1.459 39.364 38.000 -0.159 0.000 1.386 57 I HN 0.539 nan 8.210 nan 0.000 0.476 58 V N 7.584 127.388 119.914 -0.182 0.000 2.735 58 V HA 0.594 4.714 4.120 -0.000 0.000 0.310 58 V C -1.332 174.668 176.094 -0.156 0.000 1.061 58 V CA -0.286 61.924 62.300 -0.150 0.000 0.913 58 V CB 2.062 33.813 31.823 -0.119 0.000 1.005 58 V HN 0.788 nan 8.190 nan 0.000 0.428 59 D N 4.031 124.339 120.400 -0.154 0.000 2.936 59 D HA 0.309 4.949 4.640 -0.000 0.000 0.238 59 D C 0.877 177.082 176.300 -0.157 0.000 1.248 59 D CA -0.525 53.365 54.000 -0.184 0.000 0.903 59 D CB 2.213 42.859 40.800 -0.257 0.000 1.544 59 D HN 0.706 nan 8.370 nan 0.000 0.543 60 R N 2.507 122.932 120.500 -0.126 0.000 2.200 60 R HA -0.008 4.331 4.340 -0.000 0.000 0.234 60 R C 0.513 176.731 176.300 -0.137 0.000 1.127 60 R CA 0.445 56.489 56.100 -0.094 0.000 0.989 60 R CB 0.031 30.299 30.300 -0.053 0.000 0.869 60 R HN 0.164 nan 8.270 nan 0.000 0.459 61 R N 1.148 121.512 120.500 -0.228 0.000 2.637 61 R HA 0.122 4.462 4.340 -0.000 0.000 0.269 61 R C -1.892 174.213 176.300 -0.324 0.000 1.089 61 R CA -1.859 54.047 56.100 -0.323 0.000 1.177 61 R CB 0.375 30.326 30.300 -0.582 0.000 1.091 61 R HN 0.021 nan 8.270 nan 0.000 0.540 62 P HA 0.065 nan 4.420 nan 0.000 0.257 62 P C -1.266 175.930 177.300 -0.173 0.000 1.325 62 P CA 0.427 63.427 63.100 -0.167 0.000 0.850 62 P CB 0.072 31.732 31.700 -0.068 0.000 1.324 63 H N -1.942 116.956 119.070 -0.288 0.000 2.960 63 H HA 0.576 5.132 4.556 -0.000 0.000 0.323 63 H C -0.289 174.832 175.328 -0.345 0.000 1.326 63 H CA -1.423 54.398 56.048 -0.379 0.000 1.124 63 H CB 0.204 29.468 29.762 -0.829 0.000 1.853 63 H HN -0.184 nan 8.280 nan 0.000 0.536 64 I N -2.400 118.117 120.570 -0.089 0.000 3.210 64 I HA 0.751 4.921 4.170 -0.000 0.000 0.316 64 I C 1.126 177.074 176.117 -0.282 0.000 1.067 64 I CA -0.539 60.633 61.300 -0.212 0.000 1.047 64 I CB 1.266 39.157 38.000 -0.183 0.000 1.352 64 I HN 1.104 nan 8.210 nan 0.000 0.565 65 G N 0.409 108.689 108.800 -0.867 0.000 2.217 65 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.246 65 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.246 65 G C 0.947 175.327 174.900 -0.866 0.000 0.990 65 G CA 0.199 44.332 45.100 -1.612 0.000 0.627 65 G HN 2.133 nan 8.290 nan 0.000 0.522 66 G N 0.813 109.333 108.800 -0.466 0.000 2.611 66 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.301 66 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.301 66 G C 0.875 175.589 174.900 -0.311 0.000 1.233 66 G CA 1.001 45.895 45.100 -0.342 0.000 0.993 66 G HN 1.170 nan 8.290 nan 0.000 0.553 67 N N 1.197 119.714 118.700 -0.305 0.000 2.289 67 N HA 0.113 4.853 4.740 -0.000 0.000 0.184 67 N C 2.156 177.387 175.510 -0.465 0.000 1.016 67 N CA 1.791 54.653 53.050 -0.315 0.000 0.872 67 N CB -0.454 38.013 38.487 -0.035 0.000 0.973 67 N HN 0.987 nan 8.380 nan 0.000 0.433 68 A N -0.527 121.986 122.820 -0.512 0.000 2.278 68 A HA 0.014 4.334 4.320 -0.000 0.000 0.212 68 A C 0.267 177.531 177.584 -0.533 0.000 1.213 68 A CA -0.443 51.104 52.037 -0.817 0.000 0.840 68 A CB -0.632 18.052 19.000 -0.528 0.000 0.866 68 A HN 0.319 nan 8.150 nan 0.000 0.489 69 Y N 2.662 122.716 120.300 -0.410 0.000 2.620 69 Y HA 0.309 4.859 4.550 -0.000 0.000 0.330 69 Y C -0.155 175.580 175.900 -0.276 0.000 1.186 69 Y CA -0.455 57.458 58.100 -0.313 0.000 1.467 69 Y CB 0.339 38.567 38.460 -0.386 0.000 1.262 69 Y HN 0.505 nan 8.280 nan 0.000 0.550 70 D N 4.652 124.543 120.400 -0.849 0.000 2.493 70 D HA 0.627 5.267 4.640 -0.000 0.000 0.239 70 D C -0.977 174.757 176.300 -0.943 0.000 1.049 70 D CA -0.516 53.058 54.000 -0.710 0.000 1.008 70 D CB 1.205 41.894 40.800 -0.185 0.000 1.398 70 D HN 0.782 nan 8.370 nan 0.000 0.513 71 C N -2.746 116.158 119.300 -0.659 0.000 3.231 71 C HA 0.601 5.061 4.460 -0.000 0.000 0.343 71 C C -1.528 173.209 174.990 -0.422 0.000 1.349 71 C CA -1.218 57.520 59.018 -0.468 0.000 1.209 71 C CB -0.277 27.222 27.740 -0.402 0.000 1.475 71 C HN 0.623 nan 8.230 nan 0.000 0.460 72 Y N 2.240 122.412 120.300 -0.214 0.000 2.316 72 Y HA 0.465 5.015 4.550 -0.000 0.000 0.331 72 Y C 1.065 176.867 175.900 -0.164 0.000 1.083 72 Y CA 0.694 58.691 58.100 -0.171 0.000 1.206 72 Y CB 0.845 39.243 38.460 -0.104 0.000 1.195 72 Y HN 0.853 nan 8.280 nan 0.000 0.497 73 D N 0.079 120.443 120.400 -0.060 0.000 2.447 73 D HA 0.003 4.643 4.640 -0.000 0.000 0.265 73 D C 0.363 176.658 176.300 -0.009 0.000 1.250 73 D CA -0.300 53.654 54.000 -0.077 0.000 1.046 73 D CB 0.483 41.210 40.800 -0.120 0.000 1.095 73 D HN 0.416 nan 8.370 nan 0.000 0.555 74 D N -0.616 119.773 120.400 -0.019 0.000 2.149 74 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 74 D C 1.769 178.085 176.300 0.026 0.000 0.990 74 D CA 1.980 55.982 54.000 0.003 0.000 0.839 74 D CB -0.528 40.270 40.800 -0.003 0.000 0.948 74 D HN 0.548 nan 8.370 nan 0.000 0.460 75 A N -0.343 122.485 122.820 0.013 0.000 2.206 75 A HA 0.346 4.666 4.320 -0.000 0.000 0.211 75 A C 1.757 179.417 177.584 0.128 0.000 1.158 75 A CA 1.196 53.257 52.037 0.041 0.000 0.761 75 A CB -0.248 18.721 19.000 -0.052 0.000 0.801 75 A HN 0.277 nan 8.150 nan 0.000 0.473 76 G N -1.536 107.333 108.800 0.115 0.000 2.137 76 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.237 76 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.237 76 G C -0.009 175.073 174.900 0.303 0.000 1.002 76 G CA 0.100 45.341 45.100 0.235 0.000 0.702 76 G HN 0.799 nan 8.290 nan 0.000 0.515 77 V N 1.125 121.042 119.914 0.006 0.000 2.407 77 V HA 0.579 4.699 4.120 -0.000 0.000 0.278 77 V C 0.765 176.674 176.094 -0.308 0.000 1.037 77 V CA -0.846 61.349 62.300 -0.175 0.000 0.900 77 V CB 1.625 33.252 31.823 -0.327 0.000 0.983 77 V HN 0.481 nan 8.190 nan 0.000 0.459 78 L N 8.083 128.983 121.223 -0.538 0.000 2.433 78 L HA 0.462 4.802 4.340 -0.000 0.000 0.275 78 L C -0.235 176.213 176.870 -0.703 0.000 1.128 78 L CA 0.780 55.093 54.840 -0.877 0.000 0.875 78 L CB -0.159 41.377 42.059 -0.871 0.000 1.171 78 L HN 0.668 nan 8.230 nan 0.000 0.463 79 I N 0.970 121.034 120.570 -0.843 0.000 3.042 79 I HA 0.495 4.665 4.170 -0.000 0.000 0.310 79 I C -1.107 174.348 176.117 -1.103 0.000 1.117 79 I CA -0.868 59.541 61.300 -1.484 0.000 1.003 79 I CB 2.115 39.398 38.000 -1.195 0.000 1.228 79 I HN 0.581 nan 8.210 nan 0.000 0.443 80 H N 3.584 121.811 119.070 -1.406 0.000 2.690 80 H HA 0.289 4.845 4.556 -0.000 0.000 0.289 80 H C -2.036 173.098 175.328 -0.325 0.000 1.089 80 H CA -1.895 53.854 56.048 -0.499 0.000 1.299 80 H CB 1.040 30.805 29.762 0.004 0.000 1.405 80 H HN 0.454 nan 8.280 nan 0.000 0.463 81 P HA -0.204 nan 4.420 nan 0.000 0.217 81 P C -0.223 176.658 177.300 -0.698 0.000 1.148 81 P CA 1.445 64.211 63.100 -0.557 0.000 0.828 81 P CB 0.119 31.381 31.700 -0.729 0.000 0.783 82 Y N -0.776 119.305 120.300 -0.365 0.000 2.764 82 Y HA 0.537 5.087 4.550 -0.000 0.000 0.350 82 Y C 1.328 176.819 175.900 -0.682 0.000 0.982 82 Y CA -0.306 57.336 58.100 -0.762 0.000 1.431 82 Y CB -0.125 38.167 38.460 -0.280 0.000 1.326 82 Y HN -0.059 nan 8.280 nan 0.000 0.550 83 G N 1.046 109.512 108.800 -0.556 0.000 2.758 83 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.686 83 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.686 83 G C -3.164 171.986 174.900 0.418 0.000 1.389 83 G CA -1.599 43.524 45.100 0.039 0.000 0.845 83 G HN 0.086 nan 8.290 nan 0.000 0.572 84 P HA 0.358 nan 4.420 nan 0.000 0.271 84 P C -0.514 177.017 177.300 0.386 0.000 1.220 84 P CA 0.237 63.611 63.100 0.457 0.000 0.768 84 P CB 0.435 32.206 31.700 0.119 0.000 0.848 85 H N 2.683 122.054 119.070 0.502 0.000 2.786 85 H HA 0.415 4.971 4.556 -0.000 0.000 0.284 85 H C -0.443 175.125 175.328 0.399 0.000 1.104 85 H CA -0.368 55.812 56.048 0.219 0.000 1.339 85 H CB -0.049 29.584 29.762 -0.215 0.000 1.427 85 H HN 0.228 nan 8.280 nan 0.000 0.497 86 I N 3.483 124.282 120.570 0.380 0.000 2.304 86 I HA 0.110 4.280 4.170 -0.000 0.000 0.291 86 I C -0.209 176.169 176.117 0.434 0.000 1.018 86 I CA -0.441 61.114 61.300 0.425 0.000 1.260 86 I CB 0.180 38.359 38.000 0.298 0.000 1.390 86 I HN 0.407 nan 8.210 nan 0.000 0.475 87 F N 7.612 127.807 119.950 0.409 0.000 2.412 87 F HA 0.526 5.053 4.527 -0.000 0.000 0.348 87 F C 0.076 175.976 175.800 0.166 0.000 1.102 87 F CA 0.147 58.326 58.000 0.297 0.000 1.196 87 F CB 0.278 39.539 39.000 0.436 0.000 1.144 87 F HN 0.693 nan 8.300 nan 0.000 0.541 88 H N 1.382 119.916 119.070 -0.894 0.000 3.123 88 H HA 0.545 5.101 4.556 -0.000 0.000 0.346 88 H C -1.404 173.472 175.328 -0.753 0.000 1.138 88 H CA -0.976 54.673 56.048 -0.665 0.000 1.273 88 H CB 1.576 30.897 29.762 -0.735 0.000 1.926 88 H HN 0.640 nan 8.280 nan 0.000 0.524 89 T N 1.376 115.670 114.554 -0.433 0.000 2.885 89 T HA 0.245 4.594 4.350 -0.000 0.000 0.322 89 T C -0.521 174.174 174.700 -0.009 0.000 1.387 89 T CA -0.760 61.151 62.100 -0.316 0.000 1.041 89 T CB 1.366 70.045 68.868 -0.316 0.000 1.287 89 T HN 0.745 nan 8.240 nan 0.000 0.491 90 N N 1.190 119.892 118.700 0.003 0.000 2.325 90 N HA 0.109 4.849 4.740 -0.000 0.000 0.182 90 N C 0.378 175.978 175.510 0.150 0.000 1.088 90 N CA 0.117 53.232 53.050 0.109 0.000 0.879 90 N CB 0.662 39.169 38.487 0.032 0.000 0.983 90 N HN 0.492 nan 8.380 nan 0.000 0.471 91 S N 1.207 116.926 115.700 0.032 0.000 2.405 91 S HA 0.105 4.575 4.470 -0.000 0.000 0.291 91 S C 1.318 175.859 174.600 -0.097 0.000 1.137 91 S CA -0.462 57.734 58.200 -0.006 0.000 1.061 91 S CB 0.722 63.902 63.200 -0.032 0.000 1.001 91 S HN 0.147 nan 8.310 nan 0.000 0.507 92 K N 3.834 124.189 120.400 -0.075 0.000 2.113 92 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 92 K C 0.940 177.491 176.600 -0.081 0.000 1.047 92 K CA 2.093 58.270 56.287 -0.184 0.000 0.928 92 K CB -0.157 32.357 32.500 0.024 0.000 0.716 92 K HN 0.612 nan 8.250 nan 0.000 0.446 93 D N 0.022 120.413 120.400 -0.015 0.000 2.084 93 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 93 D C 1.894 178.231 176.300 0.061 0.000 0.990 93 D CA 1.173 55.186 54.000 0.021 0.000 0.826 93 D CB -0.141 40.667 40.800 0.014 0.000 0.971 93 D HN -0.002 nan 8.370 nan 0.000 0.453 94 V N 0.382 120.329 119.914 0.055 0.000 2.287 94 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 94 V C 2.128 178.349 176.094 0.211 0.000 1.053 94 V CA 1.585 63.967 62.300 0.137 0.000 1.027 94 V CB -0.577 31.302 31.823 0.093 0.000 0.646 94 V HN 0.201 nan 8.190 nan 0.000 0.447 95 F N 0.883 120.789 119.950 -0.074 0.000 2.075 95 F HA -0.195 4.332 4.527 -0.000 0.000 0.297 95 F C 2.550 178.316 175.800 -0.057 0.000 1.113 95 F CA 2.097 60.000 58.000 -0.161 0.000 1.218 95 F CB -0.083 38.556 39.000 -0.602 0.000 0.984 95 F HN 0.183 nan 8.300 nan 0.000 0.472 96 E N -0.924 119.218 120.200 -0.095 0.000 2.153 96 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 96 E C 1.870 178.431 176.600 -0.065 0.000 0.988 96 E CA 1.359 57.690 56.400 -0.115 0.000 0.811 96 E CB -0.505 29.184 29.700 -0.018 0.000 0.746 96 E HN 0.621 nan 8.360 nan 0.000 0.466 97 Y N 1.442 121.700 120.300 -0.071 0.000 2.114 97 Y HA -0.219 4.331 4.550 -0.000 0.000 0.284 97 Y C 1.992 177.898 175.900 0.010 0.000 1.143 97 Y CA 1.144 59.231 58.100 -0.021 0.000 1.135 97 Y CB -0.324 38.163 38.460 0.045 0.000 0.980 97 Y HN -0.054 nan 8.280 nan 0.000 0.499 98 L N 0.175 121.337 121.223 -0.102 0.000 2.191 98 L HA -0.185 4.154 4.340 -0.000 0.000 0.212 98 L C 2.439 179.196 176.870 -0.188 0.000 1.103 98 L CA 1.823 56.596 54.840 -0.111 0.000 0.769 98 L CB -1.492 40.609 42.059 0.071 0.000 0.908 98 L HN 0.230 nan 8.230 nan 0.000 0.438 99 S N -0.812 114.768 115.700 -0.200 0.000 2.469 99 S HA -0.134 4.336 4.470 -0.000 0.000 0.238 99 S C 1.896 176.270 174.600 -0.378 0.000 0.998 99 S CA 0.664 58.742 58.200 -0.203 0.000 0.957 99 S CB -0.239 62.848 63.200 -0.188 0.000 0.764 99 S HN 0.464 nan 8.310 nan 0.000 0.514 100 R N -0.061 120.091 120.500 -0.579 0.000 2.235 100 R HA 0.068 4.407 4.340 -0.000 0.000 0.213 100 R C 0.456 176.156 176.300 -1.001 0.000 1.059 100 R CA 0.896 56.480 56.100 -0.859 0.000 0.997 100 R CB -0.145 29.429 30.300 -1.210 0.000 0.884 100 R HN 0.447 nan 8.270 nan 0.000 0.462 101 F N -0.983 118.747 119.950 -0.367 0.000 2.683 101 F HA 0.308 4.835 4.527 -0.000 0.000 0.306 101 F C 0.253 175.818 175.800 -0.391 0.000 1.102 101 F CA -0.378 57.415 58.000 -0.345 0.000 1.244 101 F CB 1.326 40.108 39.000 -0.364 0.000 1.029 101 F HN -0.244 nan 8.300 nan 0.000 0.545 102 T N -0.364 113.959 114.554 -0.385 0.000 3.003 102 T HA 0.210 4.560 4.350 -0.000 0.000 0.354 102 T C -1.044 173.221 174.700 -0.726 0.000 1.651 102 T CA -0.608 61.170 62.100 -0.535 0.000 1.103 102 T CB 1.216 69.647 68.868 -0.730 0.000 1.450 102 T HN 0.101 nan 8.240 nan 0.000 0.484 103 E N 1.189 121.062 120.200 -0.546 0.000 2.385 103 E HA 0.526 4.875 4.350 -0.000 0.000 0.254 103 E C -0.936 175.252 176.600 -0.686 0.000 1.228 103 E CA -0.548 55.572 56.400 -0.468 0.000 0.956 103 E CB 0.885 30.479 29.700 -0.177 0.000 1.116 103 E HN 0.509 nan 8.360 nan 0.000 0.507 104 W N 0.352 121.622 121.300 -0.049 0.000 2.819 104 W HA 0.373 5.033 4.660 -0.000 0.000 0.337 104 W C -0.247 176.280 176.519 0.014 0.000 1.077 104 W CA -0.788 56.558 57.345 0.002 0.000 1.226 104 W CB 1.219 30.763 29.460 0.140 0.000 1.419 104 W HN 0.146 nan 8.180 nan 0.000 0.502 105 R N 3.759 124.423 120.500 0.273 0.000 2.239 105 R HA 0.375 4.715 4.340 -0.000 0.000 0.332 105 R C -2.487 173.980 176.300 0.279 0.000 0.988 105 R CA -1.747 54.468 56.100 0.192 0.000 0.859 105 R CB 0.850 31.198 30.300 0.080 0.000 1.148 105 R HN 0.104 nan 8.270 nan 0.000 0.482 106 P HA -0.108 nan 4.420 nan 0.000 0.261 106 P C -1.625 175.860 177.300 0.308 0.000 1.173 106 P CA 0.669 63.906 63.100 0.228 0.000 0.760 106 P CB 0.064 31.856 31.700 0.153 0.000 0.783 107 Y N 1.944 122.332 120.300 0.147 0.000 2.376 107 Y HA 0.277 4.827 4.550 -0.000 0.000 0.321 107 Y C -1.466 174.543 175.900 0.182 0.000 1.189 107 Y CA -0.538 57.661 58.100 0.166 0.000 1.069 107 Y CB 1.661 40.242 38.460 0.201 0.000 1.292 107 Y HN 0.304 nan 8.280 nan 0.000 0.430 108 Q N 4.937 124.435 119.800 -0.504 0.000 2.339 108 Q HA 0.227 4.567 4.340 -0.000 0.000 0.268 108 Q C -1.384 174.278 176.000 -0.563 0.000 1.027 108 Q CA -1.033 54.558 55.803 -0.353 0.000 0.759 108 Q CB 1.570 30.222 28.738 -0.142 0.000 1.244 108 Q HN 0.672 nan 8.270 nan 0.000 0.464 109 H N 2.638 121.445 119.070 -0.440 0.000 2.848 109 H HA 0.180 4.736 4.556 -0.000 0.000 0.341 109 H C -0.725 174.509 175.328 -0.157 0.000 1.060 109 H CA 0.678 56.587 56.048 -0.232 0.000 1.444 109 H CB 0.489 30.383 29.762 0.219 0.000 1.446 109 H HN 0.401 nan 8.280 nan 0.000 0.583 110 R N 3.753 123.918 120.500 -0.558 0.000 2.532 110 R HA 0.439 4.779 4.340 -0.000 0.000 0.297 110 R C -1.405 174.545 176.300 -0.584 0.000 0.984 110 R CA -0.971 54.862 56.100 -0.445 0.000 0.884 110 R CB 1.985 32.131 30.300 -0.257 0.000 1.182 110 R HN 0.313 nan 8.270 nan 0.000 0.442 111 V N 4.672 124.304 119.914 -0.470 0.000 2.513 111 V HA 0.427 4.547 4.120 -0.000 0.000 0.299 111 V C -0.483 175.459 176.094 -0.254 0.000 1.035 111 V CA -0.921 61.117 62.300 -0.437 0.000 0.889 111 V CB 1.854 33.336 31.823 -0.569 0.000 0.988 111 V HN 0.466 nan 8.190 nan 0.000 0.440 112 L N 3.352 124.430 121.223 -0.241 0.000 2.334 112 L HA 0.840 5.180 4.340 -0.000 0.000 0.272 112 L C 0.315 177.072 176.870 -0.188 0.000 1.020 112 L CA -0.394 54.339 54.840 -0.178 0.000 0.812 112 L CB 1.599 43.555 42.059 -0.172 0.000 1.264 112 L HN 0.800 nan 8.230 nan 0.000 0.439 113 A N 1.114 123.860 122.820 -0.123 0.000 2.342 113 A HA 0.536 4.856 4.320 -0.000 0.000 0.323 113 A C -0.104 177.363 177.584 -0.196 0.000 1.125 113 A CA -0.428 51.519 52.037 -0.151 0.000 0.785 113 A CB 1.113 20.103 19.000 -0.016 0.000 1.221 113 A HN 0.621 nan 8.150 nan 0.000 0.463 114 S N 2.254 117.779 115.700 -0.291 0.000 2.701 114 S HA 0.443 4.913 4.470 -0.000 0.000 0.317 114 S C -0.576 173.924 174.600 -0.166 0.000 1.149 114 S CA -0.242 57.833 58.200 -0.208 0.000 1.052 114 S CB -0.933 62.142 63.200 -0.207 0.000 1.257 114 S HN 0.645 nan 8.310 nan 0.000 0.532 115 V N 4.893 124.684 119.914 -0.205 0.000 2.588 115 V HA 0.376 4.496 4.120 -0.000 0.000 0.304 115 V C -0.290 175.702 176.094 -0.169 0.000 1.042 115 V CA -0.771 61.361 62.300 -0.281 0.000 0.877 115 V CB 1.678 33.143 31.823 -0.596 0.000 0.996 115 V HN 0.838 nan 8.190 nan 0.000 0.425 116 D N 3.772 124.095 120.400 -0.129 0.000 2.751 116 D HA -0.181 4.459 4.640 -0.000 0.000 0.233 116 D C 1.314 177.586 176.300 -0.047 0.000 1.149 116 D CA 1.896 55.850 54.000 -0.076 0.000 0.682 116 D CB -1.172 39.582 40.800 -0.076 0.000 1.068 116 D HN 1.487 nan 8.370 nan 0.000 0.429 117 G N -0.861 107.920 108.800 -0.033 0.000 2.168 117 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.257 117 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.257 117 G C 0.222 175.114 174.900 -0.013 0.000 0.997 117 G CA 0.888 45.986 45.100 -0.005 0.000 0.708 117 G HN 0.545 nan 8.290 nan 0.000 0.520 118 Q N -1.249 118.528 119.800 -0.037 0.000 2.378 118 Q HA 0.752 5.092 4.340 -0.000 0.000 0.276 118 Q C -0.035 175.932 176.000 -0.056 0.000 1.083 118 Q CA -0.979 54.800 55.803 -0.039 0.000 0.856 118 Q CB 1.730 30.443 28.738 -0.042 0.000 1.383 118 Q HN 0.231 nan 8.270 nan 0.000 0.458 119 L N 2.595 123.786 121.223 -0.053 0.000 2.283 119 L HA 0.364 4.704 4.340 -0.000 0.000 0.281 119 L C -1.262 175.576 176.870 -0.054 0.000 1.033 119 L CA -0.590 54.206 54.840 -0.074 0.000 0.848 119 L CB 0.406 42.417 42.059 -0.081 0.000 1.226 119 L HN 0.262 nan 8.230 nan 0.000 0.429 120 L N 5.252 126.459 121.223 -0.026 0.000 2.331 120 L HA 0.635 4.975 4.340 -0.000 0.000 0.275 120 L C -2.169 174.705 176.870 0.007 0.000 1.022 120 L CA -2.412 52.440 54.840 0.021 0.000 0.812 120 L CB 1.343 43.482 42.059 0.133 0.000 1.257 120 L HN 0.202 nan 8.230 nan 0.000 0.435 121 P HA 0.305 nan 4.420 nan 0.000 0.271 121 P C -1.018 176.230 177.300 -0.088 0.000 1.216 121 P CA -0.008 63.049 63.100 -0.072 0.000 0.776 121 P CB 0.763 32.412 31.700 -0.085 0.000 0.881 122 I N 3.977 124.496 120.570 -0.085 0.000 2.569 122 I HA 0.474 4.644 4.170 -0.000 0.000 0.290 122 I C -2.762 173.326 176.117 -0.048 0.000 1.088 122 I CA -3.285 57.950 61.300 -0.108 0.000 1.047 122 I CB 2.086 40.037 38.000 -0.082 0.000 1.237 122 I HN 0.176 nan 8.210 nan 0.000 0.421 123 P HA 0.095 nan 4.420 nan 0.000 0.266 123 P C -0.421 176.767 177.300 -0.186 0.000 1.186 123 P CA 0.278 63.265 63.100 -0.188 0.000 0.767 123 P CB 0.282 31.852 31.700 -0.215 0.000 0.820 124 I N 2.782 123.221 120.570 -0.219 0.000 2.752 124 I HA -0.036 4.134 4.170 -0.000 0.000 0.289 124 I C 1.115 177.172 176.117 -0.100 0.000 1.197 124 I CA 0.823 61.969 61.300 -0.256 0.000 1.432 124 I CB -0.120 37.720 38.000 -0.266 0.000 1.359 124 I HN 0.567 nan 8.210 nan 0.000 0.571 125 N N 5.503 124.168 118.700 -0.059 0.000 3.316 125 N HA 0.225 4.965 4.740 -0.000 0.000 0.300 125 N C 0.239 175.759 175.510 0.016 0.000 1.567 125 N CA -0.892 52.162 53.050 0.006 0.000 0.821 125 N CB 0.596 39.055 38.487 -0.047 0.000 1.748 125 N HN 0.420 nan 8.380 nan 0.000 0.603 126 L N -0.124 121.093 121.223 -0.010 0.000 2.013 126 L HA -0.174 4.165 4.340 -0.000 0.000 0.212 126 L C 0.642 177.465 176.870 -0.079 0.000 1.073 126 L CA 2.204 57.007 54.840 -0.061 0.000 0.753 126 L CB -0.435 41.574 42.059 -0.084 0.000 0.890 126 L HN 0.548 nan 8.230 nan 0.000 0.432 127 D N -1.085 119.273 120.400 -0.070 0.000 2.144 127 D HA -0.132 4.508 4.640 -0.000 0.000 0.200 127 D C 2.000 178.259 176.300 -0.068 0.000 0.978 127 D CA 1.641 55.599 54.000 -0.070 0.000 0.833 127 D CB -0.077 40.684 40.800 -0.065 0.000 0.961 127 D HN 0.392 nan 8.370 nan 0.000 0.470 128 T N 0.947 115.459 114.554 -0.069 0.000 2.708 128 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 128 T C 2.351 177.004 174.700 -0.078 0.000 1.037 128 T CA 0.832 62.890 62.100 -0.070 0.000 1.146 128 T CB -0.424 68.365 68.868 -0.132 0.000 0.865 128 T HN -0.020 nan 8.240 nan 0.000 0.435 129 V N 2.475 122.344 119.914 -0.075 0.000 2.307 129 V HA -0.163 3.957 4.120 -0.000 0.000 0.245 129 V C 2.497 178.523 176.094 -0.113 0.000 1.045 129 V CA 1.538 63.783 62.300 -0.091 0.000 1.024 129 V CB -0.656 31.083 31.823 -0.139 0.000 0.651 129 V HN 0.418 nan 8.190 nan 0.000 0.449 130 N N 0.268 118.898 118.700 -0.117 0.000 2.120 130 N HA -0.125 4.615 4.740 -0.000 0.000 0.188 130 N C 1.981 177.452 175.510 -0.065 0.000 1.024 130 N CA 1.346 54.340 53.050 -0.094 0.000 0.852 130 N CB -0.334 38.096 38.487 -0.095 0.000 1.003 130 N HN 0.469 nan 8.380 nan 0.000 0.424 131 R N 0.060 120.518 120.500 -0.070 0.000 2.090 131 R HA -0.012 4.328 4.340 -0.000 0.000 0.228 131 R C 2.002 178.259 176.300 -0.073 0.000 1.110 131 R CA 0.508 56.573 56.100 -0.057 0.000 0.973 131 R CB -0.361 29.909 30.300 -0.049 0.000 0.869 131 R HN 0.129 nan 8.270 nan 0.000 0.440 132 L N -0.318 120.824 121.223 -0.134 0.000 2.027 132 L HA -0.139 4.201 4.340 -0.000 0.000 0.206 132 L C 1.293 178.021 176.870 -0.236 0.000 1.074 132 L CA 1.830 56.527 54.840 -0.237 0.000 0.745 132 L CB -0.254 41.561 42.059 -0.407 0.000 0.898 132 L HN 0.081 nan 8.230 nan 0.000 0.433 133 Y N 0.013 120.310 120.300 -0.005 0.000 2.457 133 Y HA 0.466 5.016 4.550 -0.000 0.000 0.263 133 Y C 1.594 177.474 175.900 -0.033 0.000 1.164 133 Y CA -0.241 57.850 58.100 -0.014 0.000 1.274 133 Y CB -0.443 37.994 38.460 -0.038 0.000 1.097 133 Y HN 0.231 nan 8.280 nan 0.000 0.523 134 G N 1.313 110.153 108.800 0.067 0.000 2.324 134 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.292 134 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.292 134 G C -0.274 174.633 174.900 0.013 0.000 1.079 134 G CA 0.060 45.177 45.100 0.027 0.000 1.026 134 G HN 0.286 nan 8.290 nan 0.000 0.506 135 L N -0.654 120.563 121.223 -0.011 0.000 2.376 135 L HA 0.604 4.944 4.340 -0.000 0.000 0.267 135 L C 0.732 177.560 176.870 -0.070 0.000 1.035 135 L CA -1.168 53.637 54.840 -0.058 0.000 0.800 135 L CB 1.196 43.178 42.059 -0.129 0.000 1.290 135 L HN 0.178 nan 8.230 nan 0.000 0.462 136 N N 1.433 120.085 118.700 -0.080 0.000 2.536 136 N HA 0.270 5.010 4.740 -0.000 0.000 0.286 136 N C -0.797 174.668 175.510 -0.076 0.000 1.577 136 N CA -0.105 52.904 53.050 -0.067 0.000 0.883 136 N CB 0.931 39.392 38.487 -0.043 0.000 1.390 136 N HN 0.351 nan 8.380 nan 0.000 0.491 137 L N 1.228 122.381 121.223 -0.117 0.000 2.467 137 L HA 0.166 4.506 4.340 -0.000 0.000 0.270 137 L C 1.547 178.362 176.870 -0.092 0.000 1.205 137 L CA 0.155 54.926 54.840 -0.116 0.000 0.828 137 L CB 0.267 42.207 42.059 -0.198 0.000 1.101 137 L HN 0.152 nan 8.230 nan 0.000 0.479 138 T N -1.984 112.536 114.554 -0.056 0.000 2.862 138 T HA 0.163 4.513 4.350 -0.000 0.000 0.276 138 T C 1.087 175.706 174.700 -0.135 0.000 0.974 138 T CA -0.630 61.427 62.100 -0.072 0.000 0.966 138 T CB 1.434 70.318 68.868 0.026 0.000 1.072 138 T HN 0.509 nan 8.240 nan 0.000 0.538 139 S N -0.044 115.491 115.700 -0.276 0.000 2.399 139 S HA -0.009 4.461 4.470 -0.000 0.000 0.231 139 S C 1.487 175.942 174.600 -0.243 0.000 1.022 139 S CA 1.033 59.046 58.200 -0.311 0.000 0.983 139 S CB -0.722 62.211 63.200 -0.446 0.000 0.803 139 S HN 0.641 nan 8.310 nan 0.000 0.480 140 F N 1.806 121.753 119.950 -0.005 0.000 2.186 140 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 140 F C 2.561 178.364 175.800 0.004 0.000 1.090 140 F CA 0.755 58.757 58.000 0.004 0.000 1.307 140 F CB -0.829 38.170 39.000 -0.001 0.000 1.019 140 F HN 0.215 nan 8.300 nan 0.000 0.489 141 Q N -0.463 119.425 119.800 0.148 0.000 2.096 141 Q HA -0.096 4.244 4.340 -0.000 0.000 0.197 141 Q C 2.419 178.437 176.000 0.030 0.000 0.964 141 Q CA 1.137 56.987 55.803 0.078 0.000 0.838 141 Q CB -0.542 28.219 28.738 0.038 0.000 0.906 141 Q HN 0.277 nan 8.270 nan 0.000 0.444 142 V N 1.224 121.106 119.914 -0.053 0.000 2.867 142 V HA -0.253 3.867 4.120 -0.000 0.000 0.260 142 V C 2.002 178.040 176.094 -0.094 0.000 1.099 142 V CA 1.733 63.923 62.300 -0.184 0.000 1.122 142 V CB -0.184 31.461 31.823 -0.298 0.000 0.708 142 V HN 0.372 nan 8.190 nan 0.000 0.490 143 E N -0.165 120.083 120.200 0.082 0.000 2.047 143 E HA -0.241 4.109 4.350 -0.000 0.000 0.191 143 E C 2.109 178.810 176.600 0.169 0.000 0.987 143 E CA 1.673 58.189 56.400 0.193 0.000 0.799 143 E CB -0.067 29.729 29.700 0.161 0.000 0.752 143 E HN 0.766 nan 8.360 nan 0.000 0.449 144 E N -0.091 120.180 120.200 0.119 0.000 2.051 144 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 144 E C 1.911 178.564 176.600 0.089 0.000 0.991 144 E CA 1.127 57.583 56.400 0.094 0.000 0.799 144 E CB -0.309 29.439 29.700 0.080 0.000 0.748 144 E HN 0.291 nan 8.360 nan 0.000 0.449 145 F N 1.017 120.924 119.950 -0.072 0.000 2.120 145 F HA -0.259 4.268 4.527 -0.000 0.000 0.300 145 F C 1.806 177.578 175.800 -0.048 0.000 1.095 145 F CA 1.346 59.276 58.000 -0.117 0.000 1.249 145 F CB -0.151 38.708 39.000 -0.236 0.000 0.995 145 F HN -0.097 nan 8.300 nan 0.000 0.480 146 F N 0.884 120.867 119.950 0.055 0.000 2.075 146 F HA -0.125 4.402 4.527 -0.000 0.000 0.297 146 F C 2.699 178.418 175.800 -0.136 0.000 1.113 146 F CA 1.186 59.150 58.000 -0.059 0.000 1.218 146 F CB -1.653 37.380 39.000 0.056 0.000 0.984 146 F HN 0.077 nan 8.300 nan 0.000 0.472 147 A N -0.466 122.430 122.820 0.127 0.000 1.978 147 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 147 A C 2.334 179.896 177.584 -0.037 0.000 1.170 147 A CA 2.088 54.147 52.037 0.036 0.000 0.636 147 A CB -1.111 17.914 19.000 0.042 0.000 0.810 147 A HN 0.421 nan 8.150 nan 0.000 0.448 148 S N -0.540 115.102 115.700 -0.098 0.000 2.496 148 S HA -0.003 4.467 4.470 -0.000 0.000 0.224 148 S C 1.510 175.999 174.600 -0.184 0.000 0.996 148 S CA 1.158 59.278 58.200 -0.133 0.000 0.927 148 S CB -0.448 62.670 63.200 -0.137 0.000 0.774 148 S HN 0.938 nan 8.310 nan 0.000 0.524 149 V N -1.657 118.108 119.914 -0.249 0.000 3.523 149 V HA 0.599 4.719 4.120 -0.000 0.000 0.255 149 V C 1.156 177.192 176.094 -0.098 0.000 1.226 149 V CA -0.185 61.990 62.300 -0.207 0.000 1.092 149 V CB -1.141 30.494 31.823 -0.314 0.000 0.817 149 V HN 0.552 nan 8.190 nan 0.000 0.458 150 A N 1.386 124.165 122.820 -0.069 0.000 2.540 150 A HA 0.239 4.559 4.320 -0.000 0.000 0.239 150 A C 0.348 177.897 177.584 -0.058 0.000 1.061 150 A CA 0.126 52.133 52.037 -0.049 0.000 0.758 150 A CB -0.314 18.663 19.000 -0.038 0.000 0.991 150 A HN 0.668 nan 8.150 nan 0.000 0.502 151 E N 1.600 121.759 120.200 -0.067 0.000 2.301 151 E HA 0.201 4.551 4.350 -0.000 0.000 0.275 151 E C -0.436 176.123 176.600 -0.069 0.000 1.030 151 E CA -0.750 55.608 56.400 -0.069 0.000 0.852 151 E CB 0.889 30.539 29.700 -0.083 0.000 1.060 151 E HN 0.361 nan 8.360 nan 0.000 0.401 152 K N 2.176 122.541 120.400 -0.057 0.000 2.258 152 K HA 0.300 4.620 4.320 -0.000 0.000 0.284 152 K C -0.881 175.686 176.600 -0.056 0.000 1.051 152 K CA -0.398 55.857 56.287 -0.053 0.000 0.923 152 K CB 1.219 33.694 32.500 -0.042 0.000 1.046 152 K HN 0.244 nan 8.250 nan 0.000 0.474 153 V N 3.333 123.211 119.914 -0.060 0.000 2.540 153 V HA 0.098 4.218 4.120 -0.000 0.000 0.302 153 V C 1.317 177.382 176.094 -0.049 0.000 1.035 153 V CA -0.616 61.649 62.300 -0.059 0.000 0.873 153 V CB 1.783 33.561 31.823 -0.074 0.000 0.992 153 V HN 0.725 nan 8.190 nan 0.000 0.428 154 E N 2.695 122.870 120.200 -0.042 0.000 2.000 154 E HA -0.164 4.186 4.350 -0.000 0.000 0.199 154 E C 0.962 177.541 176.600 -0.035 0.000 1.011 154 E CA 1.613 57.993 56.400 -0.035 0.000 0.836 154 E CB 0.131 29.813 29.700 -0.030 0.000 0.778 154 E HN 0.701 nan 8.360 nan 0.000 0.462 155 Q N -0.101 119.677 119.800 -0.036 0.000 2.363 155 Q HA 0.324 4.664 4.340 -0.000 0.000 0.265 155 Q C -1.577 174.397 176.000 -0.043 0.000 1.032 155 Q CA -0.524 55.258 55.803 -0.035 0.000 0.746 155 Q CB 1.676 30.397 28.738 -0.028 0.000 1.237 155 Q HN 0.018 nan 8.270 nan 0.000 0.475 156 V N 5.899 125.783 119.914 -0.049 0.000 2.416 156 V HA -0.044 4.076 4.120 -0.000 0.000 0.267 156 V C 0.932 176.994 176.094 -0.053 0.000 1.007 156 V CA 1.017 63.281 62.300 -0.060 0.000 1.102 156 V CB -0.058 31.724 31.823 -0.068 0.000 1.035 156 V HN 0.815 nan 8.190 nan 0.000 0.473 157 R N 2.311 122.779 120.500 -0.053 0.000 2.194 157 R HA 0.128 4.467 4.340 -0.000 0.000 0.194 157 R C 1.021 177.291 176.300 -0.050 0.000 0.985 157 R CA 0.652 56.725 56.100 -0.044 0.000 1.104 157 R CB 0.234 30.513 30.300 -0.035 0.000 1.092 157 R HN 0.723 nan 8.270 nan 0.000 0.555 158 T N -2.215 112.305 114.554 -0.057 0.000 2.912 158 T HA 0.230 4.580 4.350 -0.000 0.000 0.280 158 T C 1.047 175.707 174.700 -0.067 0.000 0.989 158 T CA -0.620 61.446 62.100 -0.056 0.000 0.995 158 T CB 1.955 70.795 68.868 -0.047 0.000 1.077 158 T HN -0.180 nan 8.240 nan 0.000 0.531 159 S N -0.406 115.261 115.700 -0.056 0.000 2.419 159 S HA -0.094 4.376 4.470 -0.000 0.000 0.233 159 S C 1.801 176.391 174.600 -0.018 0.000 1.016 159 S CA 1.210 59.383 58.200 -0.045 0.000 0.974 159 S CB -0.509 62.674 63.200 -0.029 0.000 0.786 159 S HN 0.876 nan 8.310 nan 0.000 0.492 160 E N 0.822 121.014 120.200 -0.012 0.000 2.107 160 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 160 E C 1.070 177.530 176.600 -0.233 0.000 0.982 160 E CA 1.175 57.505 56.400 -0.116 0.000 0.809 160 E CB -0.031 29.579 29.700 -0.150 0.000 0.756 160 E HN 0.337 nan 8.360 nan 0.000 0.459 161 D N 0.619 120.926 120.400 -0.156 0.000 2.087 161 D HA -0.175 4.465 4.640 -0.000 0.000 0.192 161 D C 2.182 178.387 176.300 -0.158 0.000 0.993 161 D CA 2.161 56.071 54.000 -0.150 0.000 0.828 161 D CB -0.507 40.229 40.800 -0.106 0.000 0.968 161 D HN 0.271 nan 8.370 nan 0.000 0.448 162 V N -0.357 119.470 119.914 -0.146 0.000 2.380 162 V HA -0.209 3.911 4.120 -0.000 0.000 0.251 162 V C 2.417 178.385 176.094 -0.211 0.000 1.063 162 V CA 1.372 63.576 62.300 -0.161 0.000 1.055 162 V CB -1.127 30.604 31.823 -0.154 0.000 0.657 162 V HN 0.018 nan 8.190 nan 0.000 0.455 163 V N -0.609 119.158 119.914 -0.246 0.000 2.300 163 V HA -0.075 4.045 4.120 -0.000 0.000 0.241 163 V C 2.584 178.560 176.094 -0.197 0.000 1.034 163 V CA 1.559 63.687 62.300 -0.287 0.000 1.021 163 V CB -0.163 31.462 31.823 -0.331 0.000 0.662 163 V HN 0.358 nan 8.190 nan 0.000 0.458 164 V N 1.512 121.279 119.914 -0.245 0.000 2.370 164 V HA -0.260 3.860 4.120 -0.000 0.000 0.252 164 V C 2.632 178.631 176.094 -0.158 0.000 1.068 164 V CA 2.562 64.715 62.300 -0.245 0.000 1.061 164 V CB -0.594 30.997 31.823 -0.387 0.000 0.656 164 V HN 0.771 nan 8.190 nan 0.000 0.455 165 S N -1.812 113.794 115.700 -0.157 0.000 2.603 165 S HA 0.011 4.481 4.470 -0.000 0.000 0.220 165 S C 1.581 176.111 174.600 -0.117 0.000 0.967 165 S CA 0.600 58.727 58.200 -0.121 0.000 0.920 165 S CB -0.021 63.111 63.200 -0.113 0.000 0.773 165 S HN 0.672 nan 8.310 nan 0.000 0.529 166 K N 0.476 120.788 120.400 -0.148 0.000 2.325 166 K HA 0.221 4.541 4.320 -0.000 0.000 0.203 166 K C 1.477 177.944 176.600 -0.222 0.000 1.128 166 K CA 1.024 57.197 56.287 -0.190 0.000 0.931 166 K CB 0.495 32.845 32.500 -0.250 0.000 1.125 166 K HN 0.351 nan 8.250 nan 0.000 0.487 167 V N -2.300 117.507 119.914 -0.178 0.000 3.477 167 V HA 0.455 4.575 4.120 -0.000 0.000 0.297 167 V C 0.465 176.629 176.094 0.117 0.000 1.433 167 V CA 0.135 62.393 62.300 -0.070 0.000 1.052 167 V CB -0.038 31.709 31.823 -0.127 0.000 0.895 167 V HN 0.408 nan 8.190 nan 0.000 0.438 168 G N 1.465 110.289 108.800 0.039 0.000 2.685 168 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.387 168 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.387 168 G C 0.084 175.047 174.900 0.105 0.000 1.324 168 G CA 0.320 45.449 45.100 0.048 0.000 0.878 168 G HN 0.591 nan 8.290 nan 0.000 0.527 169 R N -0.253 120.308 120.500 0.100 0.000 2.100 169 R HA 0.121 4.461 4.340 -0.000 0.000 0.220 169 R C 2.095 178.558 176.300 0.270 0.000 1.091 169 R CA 2.151 58.343 56.100 0.153 0.000 0.986 169 R CB -0.699 29.651 30.300 0.084 0.000 0.888 169 R HN 0.608 nan 8.270 nan 0.000 0.444 170 D N -0.334 120.209 120.400 0.238 0.000 2.097 170 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 170 D C 1.769 178.278 176.300 0.348 0.000 0.984 170 D CA 1.301 55.466 54.000 0.276 0.000 0.826 170 D CB 0.037 41.007 40.800 0.284 0.000 0.973 170 D HN 0.259 nan 8.370 nan 0.000 0.460 171 L N -0.480 120.988 121.223 0.410 0.000 2.056 171 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 171 L C 2.283 179.461 176.870 0.514 0.000 1.078 171 L CA 1.014 56.146 54.840 0.486 0.000 0.749 171 L CB -0.637 41.690 42.059 0.447 0.000 0.901 171 L HN 0.211 nan 8.230 nan 0.000 0.433 172 Y N 1.181 121.666 120.300 0.308 0.000 2.207 172 Y HA -0.279 4.270 4.550 -0.000 0.000 0.287 172 Y C 2.393 178.477 175.900 0.307 0.000 1.156 172 Y CA 1.721 60.003 58.100 0.303 0.000 1.182 172 Y CB -0.238 38.304 38.460 0.136 0.000 0.979 172 Y HN 0.210 nan 8.280 nan 0.000 0.521 173 N N 0.474 119.287 118.700 0.188 0.000 2.216 173 N HA -0.117 4.623 4.740 -0.000 0.000 0.183 173 N C 1.479 176.988 175.510 -0.001 0.000 1.017 173 N CA 1.585 54.655 53.050 0.033 0.000 0.861 173 N CB -0.194 38.381 38.487 0.146 0.000 0.986 173 N HN 0.498 nan 8.380 nan 0.000 0.428 174 K N -0.948 119.493 120.400 0.069 0.000 2.305 174 K HA 0.078 4.398 4.320 -0.000 0.000 0.199 174 K C 0.897 177.283 176.600 -0.356 0.000 1.047 174 K CA 0.649 56.859 56.287 -0.129 0.000 0.976 174 K CB 0.188 32.603 32.500 -0.142 0.000 0.765 174 K HN 0.150 nan 8.250 nan 0.000 0.474 175 F N -1.723 118.193 119.950 -0.056 0.000 2.619 175 F HA 0.193 4.720 4.527 -0.000 0.000 0.281 175 F C 1.469 177.037 175.800 -0.386 0.000 1.065 175 F CA 0.023 57.884 58.000 -0.232 0.000 1.304 175 F CB 0.294 39.118 39.000 -0.293 0.000 1.059 175 F HN -0.170 nan 8.300 nan 0.000 0.648 176 F N -0.614 119.353 119.950 0.028 0.000 2.490 176 F HA 0.243 4.770 4.527 -0.000 0.000 0.280 176 F C 2.388 178.107 175.800 -0.135 0.000 1.030 176 F CA 0.244 58.217 58.000 -0.044 0.000 1.367 176 F CB -0.467 38.506 39.000 -0.044 0.000 1.131 176 F HN -0.374 nan 8.300 nan 0.000 0.632 177 R N 0.777 121.109 120.500 -0.280 0.000 2.080 177 R HA -0.132 4.208 4.340 -0.000 0.000 0.236 177 R C 2.381 178.671 176.300 -0.016 0.000 1.137 177 R CA 1.873 57.809 56.100 -0.272 0.000 0.943 177 R CB -1.051 28.982 30.300 -0.446 0.000 0.846 177 R HN 0.391 nan 8.270 nan 0.000 0.431 178 G N -0.574 108.217 108.800 -0.016 0.000 2.418 178 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.217 178 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.217 178 G C 1.342 176.284 174.900 0.070 0.000 1.158 178 G CA 0.884 45.995 45.100 0.019 0.000 0.771 178 G HN 0.506 nan 8.290 nan 0.000 0.545 179 Y N 1.588 121.881 120.300 -0.011 0.000 2.181 179 Y HA -0.140 4.409 4.550 -0.000 0.000 0.288 179 Y C 3.134 179.094 175.900 0.099 0.000 1.146 179 Y CA 2.174 60.287 58.100 0.021 0.000 1.164 179 Y CB -0.093 38.361 38.460 -0.010 0.000 0.982 179 Y HN 0.205 nan 8.280 nan 0.000 0.515 180 T N 0.201 114.983 114.554 0.380 0.000 2.737 180 T HA -0.132 4.218 4.350 -0.000 0.000 0.265 180 T C 1.846 176.742 174.700 0.327 0.000 1.038 180 T CA 1.501 63.871 62.100 0.449 0.000 1.144 180 T CB -0.197 68.899 68.868 0.381 0.000 0.866 180 T HN 0.295 nan 8.240 nan 0.000 0.434 181 R N 0.821 121.433 120.500 0.187 0.000 2.105 181 R HA -0.064 4.276 4.340 -0.000 0.000 0.239 181 R C 2.531 178.878 176.300 0.078 0.000 1.135 181 R CA 1.405 57.584 56.100 0.131 0.000 0.967 181 R CB -0.139 30.210 30.300 0.082 0.000 0.861 181 R HN 0.306 nan 8.270 nan 0.000 0.442 182 K N 0.361 120.763 120.400 0.004 0.000 2.062 182 K HA -0.210 4.110 4.320 -0.000 0.000 0.205 182 K C 2.212 178.730 176.600 -0.138 0.000 1.051 182 K CA 1.459 57.697 56.287 -0.083 0.000 0.941 182 K CB 0.105 32.508 32.500 -0.163 0.000 0.719 182 K HN -0.067 nan 8.250 nan 0.000 0.440 183 Q N -0.492 119.183 119.800 -0.209 0.000 2.079 183 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 183 Q C 1.114 176.863 176.000 -0.419 0.000 0.974 183 Q CA 1.956 57.518 55.803 -0.402 0.000 0.840 183 Q CB -0.172 28.252 28.738 -0.523 0.000 0.898 183 Q HN 0.446 nan 8.270 nan 0.000 0.430 184 W N -1.475 119.800 121.300 -0.041 0.000 2.842 184 W HA 0.431 5.091 4.660 -0.000 0.000 0.267 184 W C 1.221 177.747 176.519 0.010 0.000 1.219 184 W CA 0.297 57.634 57.345 -0.013 0.000 1.458 184 W CB 0.281 29.755 29.460 0.024 0.000 1.006 184 W HN 0.274 nan 8.180 nan 0.000 0.603 185 G N 0.622 109.547 108.800 0.207 0.000 2.148 185 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.254 185 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.254 185 G C -0.582 174.411 174.900 0.154 0.000 0.981 185 G CA 0.032 45.217 45.100 0.141 0.000 0.670 185 G HN 0.079 nan 8.290 nan 0.000 0.528 186 L N 0.049 121.393 121.223 0.203 0.000 2.381 186 L HA 0.614 4.954 4.340 -0.000 0.000 0.268 186 L C 0.040 176.989 176.870 0.132 0.000 0.997 186 L CA -0.896 54.029 54.840 0.142 0.000 0.818 186 L CB 1.894 44.022 42.059 0.114 0.000 1.310 186 L HN 0.209 nan 8.230 nan 0.000 0.416 187 D N 2.816 123.276 120.400 0.100 0.000 2.372 187 D HA 0.174 4.814 4.640 -0.000 0.000 0.243 187 D C -1.619 174.740 176.300 0.099 0.000 1.121 187 D CA -1.004 53.063 54.000 0.111 0.000 0.898 187 D CB 1.343 42.204 40.800 0.102 0.000 1.202 187 D HN 0.294 nan 8.370 nan 0.000 0.428 188 P HA -0.197 nan 4.420 nan 0.000 0.218 188 P C 0.921 178.262 177.300 0.069 0.000 1.146 188 P CA 1.251 64.433 63.100 0.137 0.000 0.820 188 P CB -0.009 31.879 31.700 0.314 0.000 0.778 189 S N -1.303 114.440 115.700 0.072 0.000 2.489 189 S HA -0.052 4.418 4.470 -0.000 0.000 0.228 189 S C 1.592 176.193 174.600 0.003 0.000 0.995 189 S CA 0.651 58.863 58.200 0.021 0.000 0.934 189 S CB -0.785 62.427 63.200 0.021 0.000 0.771 189 S HN 0.240 nan 8.310 nan 0.000 0.522 190 E N 0.425 120.630 120.200 0.009 0.000 2.479 190 E HA 0.308 4.658 4.350 -0.000 0.000 0.193 190 E C -0.322 176.254 176.600 -0.040 0.000 1.049 190 E CA -0.052 56.346 56.400 -0.003 0.000 0.870 190 E CB 0.157 29.868 29.700 0.018 0.000 0.944 190 E HN 0.536 nan 8.360 nan 0.000 0.492 191 L N 0.545 121.724 121.223 -0.073 0.000 2.333 191 L HA 0.315 4.655 4.340 -0.000 0.000 0.269 191 L C -0.038 176.769 176.870 -0.105 0.000 1.010 191 L CA -1.134 53.621 54.840 -0.141 0.000 0.818 191 L CB 1.655 43.550 42.059 -0.272 0.000 1.306 191 L HN -0.124 nan 8.230 nan 0.000 0.430 192 D N 0.710 121.048 120.400 -0.105 0.000 2.419 192 D HA 0.097 4.737 4.640 -0.000 0.000 0.236 192 D C 0.922 177.172 176.300 -0.083 0.000 1.165 192 D CA 0.638 54.594 54.000 -0.074 0.000 0.882 192 D CB 1.453 42.220 40.800 -0.056 0.000 1.201 192 D HN 0.609 nan 8.370 nan 0.000 0.443 193 A N 2.125 124.904 122.820 -0.068 0.000 2.070 193 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 193 A C 2.137 179.676 177.584 -0.076 0.000 1.159 193 A CA 1.786 53.779 52.037 -0.074 0.000 0.656 193 A CB -0.898 18.059 19.000 -0.072 0.000 0.800 193 A HN 0.616 nan 8.150 nan 0.000 0.453 194 S N -0.361 115.299 115.700 -0.066 0.000 2.399 194 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 194 S C 1.736 176.287 174.600 -0.080 0.000 1.022 194 S CA 1.413 59.575 58.200 -0.063 0.000 0.983 194 S CB -0.867 62.307 63.200 -0.043 0.000 0.803 194 S HN 0.250 nan 8.310 nan 0.000 0.480 195 V N 2.903 122.766 119.914 -0.085 0.000 2.233 195 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 195 V C 3.178 179.276 176.094 0.007 0.000 1.050 195 V CA 2.323 64.585 62.300 -0.063 0.000 1.010 195 V CB -1.512 30.204 31.823 -0.178 0.000 0.637 195 V HN 0.896 nan 8.190 nan 0.000 0.444 196 T N -1.763 112.793 114.554 0.003 0.000 3.067 196 T HA 0.105 4.455 4.350 -0.000 0.000 0.261 196 T C 1.740 176.408 174.700 -0.052 0.000 1.110 196 T CA 0.930 63.053 62.100 0.037 0.000 1.113 196 T CB -0.166 68.681 68.868 -0.035 0.000 0.917 196 T HN 0.427 nan 8.240 nan 0.000 0.499 197 A N 1.984 124.757 122.820 -0.079 0.000 2.125 197 A HA 0.020 4.340 4.320 -0.000 0.000 0.219 197 A C 2.498 180.037 177.584 -0.075 0.000 1.156 197 A CA 0.825 52.806 52.037 -0.094 0.000 0.671 197 A CB -0.632 18.318 19.000 -0.083 0.000 0.794 197 A HN 0.529 nan 8.150 nan 0.000 0.459 198 R N -0.800 119.664 120.500 -0.059 0.000 2.127 198 R HA -0.044 4.296 4.340 -0.000 0.000 0.238 198 R C -0.185 176.066 176.300 -0.081 0.000 1.134 198 R CA 1.046 57.109 56.100 -0.061 0.000 0.975 198 R CB -0.232 30.025 30.300 -0.072 0.000 0.865 198 R HN 0.314 nan 8.270 nan 0.000 0.447 199 V N 4.159 124.044 119.914 -0.047 0.000 2.277 199 V HA 0.191 4.311 4.120 -0.000 0.000 0.269 199 V C -1.926 174.126 176.094 -0.070 0.000 1.036 199 V CA -1.833 60.410 62.300 -0.094 0.000 0.821 199 V CB 0.984 32.837 31.823 0.049 0.000 1.052 199 V HN 0.085 nan 8.190 nan 0.000 0.462 200 P HA 0.204 nan 4.420 nan 0.000 0.272 200 P C -0.129 177.092 177.300 -0.131 0.000 1.230 200 P CA 0.030 63.051 63.100 -0.131 0.000 0.788 200 P CB 0.795 32.417 31.700 -0.130 0.000 0.949 201 T N -0.221 114.237 114.554 -0.160 0.000 2.859 201 T HA 0.620 4.970 4.350 -0.000 0.000 0.281 201 T C 0.048 174.649 174.700 -0.164 0.000 1.005 201 T CA -0.898 61.086 62.100 -0.193 0.000 1.025 201 T CB 1.357 70.028 68.868 -0.328 0.000 0.977 201 T HN 0.337 nan 8.240 nan 0.000 0.458 202 R N 0.931 121.370 120.500 -0.102 0.000 2.803 202 R HA 0.623 4.962 4.340 -0.000 0.000 0.276 202 R C 0.781 177.140 176.300 0.098 0.000 0.978 202 R CA -0.825 55.257 56.100 -0.031 0.000 0.939 202 R CB 1.717 31.986 30.300 -0.051 0.000 1.179 202 R HN 0.898 nan 8.270 nan 0.000 0.472 203 T N -3.258 111.350 114.554 0.090 0.000 3.044 203 T HA 0.045 4.395 4.350 -0.000 0.000 0.260 203 T C 0.616 175.313 174.700 -0.005 0.000 1.019 203 T CA -0.365 61.812 62.100 0.129 0.000 0.921 203 T CB -0.237 68.715 68.868 0.139 0.000 1.053 203 T HN 0.566 nan 8.240 nan 0.000 0.533 204 N N 2.212 120.892 118.700 -0.033 0.000 2.547 204 N HA 0.287 5.027 4.740 -0.000 0.000 0.301 204 N C 0.409 175.877 175.510 -0.070 0.000 1.328 204 N CA -0.945 52.059 53.050 -0.077 0.000 0.932 204 N CB 0.411 38.852 38.487 -0.076 0.000 1.104 204 N HN 0.120 nan 8.380 nan 0.000 0.548 205 R N -1.708 118.746 120.500 -0.078 0.000 2.596 205 R HA 0.219 4.559 4.340 -0.000 0.000 0.369 205 R C -0.771 175.486 176.300 -0.072 0.000 1.042 205 R CA -0.504 55.552 56.100 -0.074 0.000 1.120 205 R CB 0.015 30.270 30.300 -0.076 0.000 1.353 205 R HN 0.525 nan 8.270 nan 0.000 0.564 206 D N 2.293 122.650 120.400 -0.073 0.000 2.401 206 D HA -0.043 4.597 4.640 -0.000 0.000 0.254 206 D C 0.398 176.645 176.300 -0.088 0.000 1.192 206 D CA 0.312 54.266 54.000 -0.077 0.000 0.885 206 D CB 0.760 41.514 40.800 -0.077 0.000 1.147 206 D HN 0.218 nan 8.370 nan 0.000 0.478 207 N N 2.742 121.388 118.700 -0.090 0.000 2.187 207 N HA 0.014 4.754 4.740 -0.000 0.000 0.212 207 N C -0.066 175.375 175.510 -0.114 0.000 1.152 207 N CA -0.347 52.643 53.050 -0.101 0.000 0.872 207 N CB 0.114 38.544 38.487 -0.094 0.000 1.025 207 N HN 0.150 nan 8.380 nan 0.000 0.514 208 R N -0.313 120.121 120.500 -0.111 0.000 2.641 208 R HA 0.103 4.443 4.340 -0.000 0.000 0.269 208 R C 0.408 176.614 176.300 -0.157 0.000 1.074 208 R CA -0.440 55.590 56.100 -0.116 0.000 1.133 208 R CB 0.422 30.675 30.300 -0.078 0.000 1.029 208 R HN 0.016 nan 8.270 nan 0.000 0.488 209 Y N 1.013 121.062 120.300 -0.418 0.000 2.314 209 Y HA 0.054 4.604 4.550 -0.000 0.000 0.293 209 Y C -0.148 175.240 175.900 -0.854 0.000 1.129 209 Y CA 1.043 58.715 58.100 -0.713 0.000 1.201 209 Y CB 0.389 38.259 38.460 -0.983 0.000 0.999 209 Y HN 0.367 nan 8.280 nan 0.000 0.541 210 F N -2.106 117.793 119.950 -0.086 0.000 2.561 210 F HA 0.592 5.118 4.527 -0.000 0.000 0.321 210 F C 0.624 176.357 175.800 -0.111 0.000 1.065 210 F CA -0.697 57.203 58.000 -0.167 0.000 0.934 210 F CB 1.454 40.290 39.000 -0.273 0.000 1.215 210 F HN -0.243 nan 8.300 nan 0.000 0.471 211 A N 0.083 122.952 122.820 0.082 0.000 2.470 211 A HA 0.275 4.595 4.320 -0.000 0.000 0.251 211 A C -0.289 177.302 177.584 0.011 0.000 1.245 211 A CA -0.354 51.692 52.037 0.015 0.000 0.932 211 A CB -0.737 18.247 19.000 -0.026 0.000 1.037 211 A HN 0.715 nan 8.150 nan 0.000 0.522 212 D N 0.353 120.790 120.400 0.062 0.000 2.478 212 D HA 0.107 4.747 4.640 -0.000 0.000 0.234 212 D C 1.330 177.577 176.300 -0.087 0.000 1.154 212 D CA 0.897 54.907 54.000 0.017 0.000 0.874 212 D CB 0.564 41.404 40.800 0.068 0.000 1.198 212 D HN 0.156 nan 8.370 nan 0.000 0.455 213 T N 0.569 115.024 114.554 -0.166 0.000 2.684 213 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 213 T C 0.380 174.696 174.700 -0.639 0.000 1.036 213 T CA 1.315 63.154 62.100 -0.435 0.000 1.148 213 T CB -0.282 68.216 68.868 -0.616 0.000 0.863 213 T HN 0.359 nan 8.240 nan 0.000 0.436 214 Y N 1.362 121.492 120.300 -0.284 0.000 2.334 214 Y HA 0.551 5.101 4.550 -0.000 0.000 0.336 214 Y C 0.134 175.842 175.900 -0.320 0.000 0.960 214 Y CA -1.026 56.775 58.100 -0.498 0.000 1.164 214 Y CB 0.915 38.830 38.460 -0.909 0.000 1.155 214 Y HN 0.028 nan 8.280 nan 0.000 0.478 215 Q N 2.821 122.552 119.800 -0.115 0.000 2.294 215 Q HA 0.848 5.188 4.340 -0.000 0.000 0.264 215 Q C -1.298 174.783 176.000 0.134 0.000 0.992 215 Q CA -0.861 54.975 55.803 0.054 0.000 0.747 215 Q CB 2.427 31.203 28.738 0.064 0.000 1.262 215 Q HN 0.800 nan 8.270 nan 0.000 0.452 216 A N 2.720 125.715 122.820 0.292 0.000 2.599 216 A HA 0.706 5.026 4.320 -0.000 0.000 0.294 216 A C -1.534 176.409 177.584 0.599 0.000 1.055 216 A CA -0.754 51.526 52.037 0.405 0.000 0.683 216 A CB 1.464 20.658 19.000 0.323 0.000 1.278 216 A HN 0.520 nan 8.150 nan 0.000 0.412 217 M N 1.360 121.269 119.600 0.514 0.000 2.363 217 M HA 0.392 4.871 4.480 -0.000 0.000 0.343 217 M C -2.551 173.837 176.300 0.146 0.000 1.165 217 M CA -2.430 53.060 55.300 0.317 0.000 1.046 217 M CB 0.739 33.409 32.600 0.117 0.000 1.648 217 M HN 0.292 nan 8.290 nan 0.000 0.452 218 P HA -0.041 nan 4.420 nan 0.000 0.261 218 P C 0.875 177.931 177.300 -0.406 0.000 1.183 218 P CA -0.082 62.663 63.100 -0.590 0.000 0.761 218 P CB 0.279 31.548 31.700 -0.718 0.000 0.785 219 L N 4.474 125.443 121.223 -0.424 0.000 2.079 219 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 219 L C 1.160 177.675 176.870 -0.592 0.000 1.081 219 L CA 2.100 56.669 54.840 -0.453 0.000 0.752 219 L CB -0.855 40.898 42.059 -0.508 0.000 0.896 219 L HN 0.480 nan 8.230 nan 0.000 0.433 220 H N -0.842 118.120 119.070 -0.181 0.000 2.492 220 H HA 0.531 5.087 4.556 -0.000 0.000 0.264 220 H C 0.680 175.925 175.328 -0.139 0.000 1.150 220 H CA 0.323 56.300 56.048 -0.119 0.000 0.962 220 H CB -0.234 29.476 29.762 -0.088 0.000 1.766 220 H HN 0.300 nan 8.280 nan 0.000 0.589 221 G N 0.013 108.720 108.800 -0.155 0.000 2.690 221 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.686 221 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.686 221 G C 0.059 174.833 174.900 -0.211 0.000 1.277 221 G CA -0.575 44.416 45.100 -0.180 0.000 0.799 221 G HN 0.279 nan 8.290 nan 0.000 0.613 222 Y N 0.515 120.768 120.300 -0.078 0.000 2.224 222 Y HA -0.099 4.451 4.550 -0.000 0.000 0.289 222 Y C 3.382 179.334 175.900 0.086 0.000 1.146 222 Y CA 2.339 60.426 58.100 -0.020 0.000 1.182 222 Y CB -0.397 38.087 38.460 0.041 0.000 0.983 222 Y HN 0.666 nan 8.280 nan 0.000 0.524 223 T N 0.073 114.720 114.554 0.154 0.000 2.684 223 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 223 T C 2.005 176.768 174.700 0.105 0.000 1.036 223 T CA 1.315 63.493 62.100 0.130 0.000 1.148 223 T CB -0.155 68.686 68.868 -0.046 0.000 0.863 223 T HN 0.210 nan 8.240 nan 0.000 0.436 224 R N 0.661 121.177 120.500 0.026 0.000 2.105 224 R HA 0.018 4.358 4.340 -0.000 0.000 0.239 224 R C 2.423 178.701 176.300 -0.038 0.000 1.135 224 R CA 1.008 57.105 56.100 -0.005 0.000 0.967 224 R CB -0.755 29.536 30.300 -0.014 0.000 0.861 224 R HN 0.465 nan 8.270 nan 0.000 0.442 225 M N -0.357 119.191 119.600 -0.086 0.000 2.099 225 M HA -0.143 4.337 4.480 -0.000 0.000 0.262 225 M C 1.745 177.915 176.300 -0.218 0.000 1.067 225 M CA 1.752 56.938 55.300 -0.191 0.000 1.124 225 M CB -0.195 32.212 32.600 -0.322 0.000 1.353 225 M HN -0.028 nan 8.290 nan 0.000 0.410 226 F N 0.906 120.769 119.950 -0.145 0.000 2.171 226 F HA -0.248 4.279 4.527 -0.000 0.000 0.300 226 F C 2.554 178.258 175.800 -0.160 0.000 1.090 226 F CA 1.630 59.515 58.000 -0.191 0.000 1.293 226 F CB -0.484 38.409 39.000 -0.178 0.000 1.013 226 F HN 0.294 nan 8.300 nan 0.000 0.486 227 Q N 0.010 119.854 119.800 0.073 0.000 2.084 227 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 227 Q C 1.966 177.955 176.000 -0.018 0.000 0.978 227 Q CA 1.453 57.270 55.803 0.022 0.000 0.844 227 Q CB -0.276 28.475 28.738 0.022 0.000 0.898 227 Q HN 0.404 nan 8.270 nan 0.000 0.426 228 N N 0.734 119.415 118.700 -0.031 0.000 2.039 228 N HA -0.171 4.569 4.740 -0.000 0.000 0.193 228 N C 1.671 177.147 175.510 -0.056 0.000 1.044 228 N CA 1.202 54.257 53.050 0.008 0.000 0.847 228 N CB -0.418 38.121 38.487 0.086 0.000 1.030 228 N HN 0.210 nan 8.380 nan 0.000 0.422 229 M N 0.432 119.829 119.600 -0.338 0.000 2.143 229 M HA -0.141 4.339 4.480 -0.000 0.000 0.258 229 M C 0.780 176.878 176.300 -0.337 0.000 1.071 229 M CA 1.492 56.315 55.300 -0.796 0.000 1.088 229 M CB -0.014 32.049 32.600 -0.896 0.000 1.360 229 M HN 0.062 nan 8.290 nan 0.000 0.404 230 L N -0.532 120.593 121.223 -0.163 0.000 2.791 230 L HA 0.119 4.459 4.340 -0.000 0.000 0.239 230 L C 1.350 178.193 176.870 -0.045 0.000 1.203 230 L CA -0.214 54.573 54.840 -0.087 0.000 1.002 230 L CB -0.206 41.821 42.059 -0.054 0.000 1.295 230 L HN 0.288 nan 8.230 nan 0.000 0.504 231 S N -2.769 112.913 115.700 -0.030 0.000 2.597 231 S HA 0.052 4.522 4.470 -0.000 0.000 0.224 231 S C 0.776 175.382 174.600 0.011 0.000 0.955 231 S CA -0.495 57.703 58.200 -0.003 0.000 0.933 231 S CB 0.147 63.350 63.200 0.005 0.000 0.788 231 S HN 0.277 nan 8.310 nan 0.000 0.488 232 S N 2.458 118.165 115.700 0.011 0.000 2.572 232 S HA 0.294 4.764 4.470 -0.000 0.000 0.279 232 S C -1.630 172.987 174.600 0.030 0.000 1.341 232 S CA -1.057 57.158 58.200 0.025 0.000 1.043 232 S CB 0.666 63.882 63.200 0.027 0.000 0.887 232 S HN 0.154 nan 8.310 nan 0.000 0.516 233 P HA 0.035 nan 4.420 nan 0.000 0.226 233 P C 0.288 177.627 177.300 0.066 0.000 1.153 233 P CA 0.676 63.803 63.100 0.045 0.000 0.777 233 P CB 0.014 31.739 31.700 0.042 0.000 0.794 234 N N -0.448 118.294 118.700 0.070 0.000 2.370 234 N HA 0.107 4.847 4.740 -0.000 0.000 0.198 234 N C 0.128 175.700 175.510 0.102 0.000 1.156 234 N CA 0.329 53.439 53.050 0.101 0.000 0.839 234 N CB 0.107 38.653 38.487 0.098 0.000 0.989 234 N HN 0.268 nan 8.380 nan 0.000 0.468 235 I N 1.202 121.809 120.570 0.063 0.000 2.410 235 I HA 0.216 4.385 4.170 -0.000 0.000 0.286 235 I C -0.466 175.658 176.117 0.011 0.000 1.009 235 I CA -0.860 60.452 61.300 0.019 0.000 1.111 235 I CB 1.378 39.368 38.000 -0.016 0.000 1.262 235 I HN -0.398 nan 8.210 nan 0.000 0.443 236 K N 6.209 126.594 120.400 -0.024 0.000 2.213 236 K HA 0.557 4.877 4.320 -0.000 0.000 0.270 236 K C -0.664 175.875 176.600 -0.101 0.000 1.002 236 K CA -0.698 55.573 56.287 -0.026 0.000 0.868 236 K CB 2.400 34.926 32.500 0.043 0.000 1.093 236 K HN 0.255 nan 8.250 nan 0.000 0.454 237 V N 4.023 123.899 119.914 -0.064 0.000 2.435 237 V HA 0.464 4.583 4.120 -0.000 0.000 0.290 237 V C -0.099 175.952 176.094 -0.071 0.000 1.030 237 V CA -0.772 61.478 62.300 -0.083 0.000 0.881 237 V CB 1.537 33.319 31.823 -0.068 0.000 0.983 237 V HN 0.722 nan 8.190 nan 0.000 0.445 238 M N 6.007 125.552 119.600 -0.091 0.000 2.197 238 M HA 0.597 5.077 4.480 -0.000 0.000 0.301 238 M C -1.634 174.614 176.300 -0.087 0.000 0.987 238 M CA -0.317 54.941 55.300 -0.070 0.000 0.921 238 M CB 1.353 33.916 32.600 -0.062 0.000 1.569 238 M HN 0.529 nan 8.290 nan 0.000 0.431 239 L N 2.820 123.997 121.223 -0.077 0.000 2.298 239 L HA 0.527 4.867 4.340 -0.000 0.000 0.268 239 L C 0.735 177.558 176.870 -0.079 0.000 1.010 239 L CA -0.903 53.876 54.840 -0.101 0.000 0.812 239 L CB 1.233 43.226 42.059 -0.109 0.000 1.331 239 L HN 0.922 nan 8.230 nan 0.000 0.450 240 N N 0.075 118.716 118.700 -0.097 0.000 2.721 240 N HA -0.171 4.569 4.740 -0.000 0.000 0.249 240 N C -1.071 174.411 175.510 -0.047 0.000 1.072 240 N CA 0.954 53.963 53.050 -0.069 0.000 0.710 240 N CB -0.623 37.836 38.487 -0.046 0.000 0.993 240 N HN 0.750 nan 8.380 nan 0.000 0.547 241 T N 0.292 114.814 114.554 -0.054 0.000 3.050 241 T HA 0.118 4.468 4.350 -0.000 0.000 0.310 241 T C -1.078 173.609 174.700 -0.022 0.000 0.978 241 T CA -0.778 61.303 62.100 -0.032 0.000 1.013 241 T CB 1.450 70.301 68.868 -0.028 0.000 1.000 241 T HN 0.136 nan 8.240 nan 0.000 0.447 242 D N 1.800 122.194 120.400 -0.010 0.000 2.389 242 D HA 0.044 4.684 4.640 -0.000 0.000 0.247 242 D C 1.280 177.589 176.300 0.015 0.000 1.128 242 D CA -0.327 53.691 54.000 0.030 0.000 0.884 242 D CB 0.787 41.585 40.800 -0.004 0.000 1.194 242 D HN 0.721 nan 8.370 nan 0.000 0.441 243 Y N 3.550 123.812 120.300 -0.064 0.000 2.207 243 Y HA -0.186 4.364 4.550 -0.000 0.000 0.287 243 Y C 2.047 177.891 175.900 -0.094 0.000 1.156 243 Y CA 0.920 58.966 58.100 -0.090 0.000 1.182 243 Y CB -0.279 38.141 38.460 -0.067 0.000 0.979 243 Y HN 0.293 nan 8.280 nan 0.000 0.521 244 R N 0.966 120.929 120.500 -0.895 0.000 2.159 244 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 244 R C 1.789 177.873 176.300 -0.359 0.000 1.131 244 R CA 1.685 57.350 56.100 -0.724 0.000 0.982 244 R CB -0.404 29.486 30.300 -0.683 0.000 0.868 244 R HN 0.626 nan 8.270 nan 0.000 0.453 245 E N 0.457 120.507 120.200 -0.249 0.000 2.418 245 E HA -0.113 4.237 4.350 -0.000 0.000 0.197 245 E C 1.561 178.019 176.600 -0.237 0.000 1.026 245 E CA 0.993 57.303 56.400 -0.150 0.000 0.862 245 E CB 0.109 29.774 29.700 -0.058 0.000 0.799 245 E HN 0.568 nan 8.360 nan 0.000 0.518 246 I N -5.285 115.067 120.570 -0.362 0.000 4.730 246 I HA 0.371 4.541 4.170 -0.000 0.000 0.332 246 I C 1.974 177.734 176.117 -0.595 0.000 1.299 246 I CA -0.103 60.811 61.300 -0.642 0.000 1.294 246 I CB 0.429 38.291 38.000 -0.229 0.000 1.317 246 I HN -0.143 nan 8.210 nan 0.000 0.457 247 A N 1.587 124.226 122.820 -0.301 0.000 1.978 247 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 247 A C 1.872 179.457 177.584 0.002 0.000 1.170 247 A CA 2.340 54.371 52.037 -0.009 0.000 0.636 247 A CB -0.694 18.328 19.000 0.037 0.000 0.810 247 A HN 0.492 nan 8.150 nan 0.000 0.448 248 D N -0.488 119.772 120.400 -0.234 0.000 2.097 248 D HA -0.104 4.535 4.640 -0.000 0.000 0.195 248 D C 1.168 177.449 176.300 -0.032 0.000 0.989 248 D CA 1.664 55.589 54.000 -0.125 0.000 0.827 248 D CB -0.271 40.477 40.800 -0.088 0.000 0.966 248 D HN 0.715 nan 8.370 nan 0.000 0.456 249 F N -0.907 119.098 119.950 0.092 0.000 2.735 249 F HA 0.449 4.976 4.527 -0.000 0.000 0.304 249 F C 0.033 175.904 175.800 0.118 0.000 1.119 249 F CA -0.643 57.404 58.000 0.079 0.000 1.280 249 F CB -0.013 39.018 39.000 0.051 0.000 0.994 249 F HN -0.300 nan 8.300 nan 0.000 0.520 250 I N 3.058 123.757 120.570 0.216 0.000 2.411 250 I HA 0.355 4.525 4.170 -0.000 0.000 0.284 250 I C -2.590 173.761 176.117 0.391 0.000 1.012 250 I CA -2.276 59.222 61.300 0.330 0.000 1.119 250 I CB 1.872 40.067 38.000 0.325 0.000 1.261 250 I HN -0.170 nan 8.210 nan 0.000 0.448 251 P HA 0.141 nan 4.420 nan 0.000 0.269 251 P C -1.092 176.376 177.300 0.280 0.000 1.252 251 P CA 0.297 63.476 63.100 0.131 0.000 0.780 251 P CB -0.155 31.580 31.700 0.058 0.000 0.829 252 F N 0.390 120.405 119.950 0.109 0.000 2.578 252 F HA 0.499 5.026 4.527 -0.000 0.000 0.311 252 F C 0.865 176.695 175.800 0.050 0.000 1.094 252 F CA -1.015 57.058 58.000 0.122 0.000 0.923 252 F CB 1.102 40.196 39.000 0.156 0.000 1.230 252 F HN -0.026 nan 8.300 nan 0.000 0.450 253 Q N 1.035 120.905 119.800 0.116 0.000 2.033 253 Q HA 0.013 4.353 4.340 -0.000 0.000 0.196 253 Q C -0.138 175.894 176.000 0.053 0.000 0.970 253 Q CA 1.600 57.402 55.803 -0.001 0.000 0.828 253 Q CB -0.217 28.500 28.738 -0.035 0.000 0.895 253 Q HN 0.893 nan 8.270 nan 0.000 0.440 254 H N -1.408 117.663 119.070 0.002 0.000 2.731 254 H HA 0.594 5.150 4.556 -0.000 0.000 0.368 254 H C -1.171 174.315 175.328 0.263 0.000 1.168 254 H CA -0.652 55.430 56.048 0.057 0.000 1.181 254 H CB 1.763 31.426 29.762 -0.164 0.000 1.743 254 H HN 0.017 nan 8.280 nan 0.000 0.547 255 M N 4.664 124.470 119.600 0.344 0.000 2.395 255 M HA 0.468 4.948 4.480 -0.000 0.000 0.307 255 M C -1.872 174.592 176.300 0.274 0.000 1.091 255 M CA -0.662 54.801 55.300 0.271 0.000 0.919 255 M CB 1.301 33.997 32.600 0.159 0.000 1.662 255 M HN 0.555 nan 8.290 nan 0.000 0.440 256 I N 4.798 125.445 120.570 0.128 0.000 2.382 256 I HA 0.289 4.459 4.170 -0.000 0.000 0.285 256 I C -1.646 174.375 176.117 -0.160 0.000 1.007 256 I CA -0.704 60.602 61.300 0.010 0.000 1.142 256 I CB 1.389 39.401 38.000 0.019 0.000 1.289 256 I HN 0.656 nan 8.210 nan 0.000 0.453 257 Y N 5.709 125.721 120.300 -0.481 0.000 2.331 257 Y HA 0.337 4.887 4.550 -0.000 0.000 0.338 257 Y C 0.977 176.618 175.900 -0.432 0.000 0.992 257 Y CA -0.395 57.328 58.100 -0.627 0.000 1.121 257 Y CB 1.625 39.409 38.460 -1.126 0.000 1.184 257 Y HN 0.625 nan 8.280 nan 0.000 0.469 258 T N 1.017 115.047 114.554 -0.874 0.000 3.091 258 T HA 0.400 4.750 4.350 -0.000 0.000 0.277 258 T C 0.684 174.999 174.700 -0.642 0.000 0.996 258 T CA 0.144 61.921 62.100 -0.537 0.000 0.897 258 T CB -0.276 68.409 68.868 -0.306 0.000 1.109 258 T HN 0.738 nan 8.240 nan 0.000 0.534 259 G N 2.194 110.207 108.800 -1.312 0.000 2.508 259 G HA2 0.591 4.551 3.960 -0.000 0.000 0.278 259 G HA3 0.591 4.551 3.960 -0.000 0.000 0.278 259 G C -2.886 171.910 174.900 -0.175 0.000 1.389 259 G CA -1.774 42.877 45.100 -0.749 0.000 1.050 259 G HN 0.179 nan 8.290 nan 0.000 0.522 260 P HA 0.154 nan 4.420 nan 0.000 0.271 260 P C 1.246 178.757 177.300 0.351 0.000 1.220 260 P CA -0.426 62.754 63.100 0.133 0.000 0.768 260 P CB 1.207 32.829 31.700 -0.131 0.000 0.848 261 V N 1.999 122.141 119.914 0.380 0.000 2.287 261 V HA -0.277 3.842 4.120 -0.000 0.000 0.248 261 V C 1.935 177.999 176.094 -0.051 0.000 1.053 261 V CA 2.347 64.806 62.300 0.264 0.000 1.027 261 V CB -1.653 30.350 31.823 0.301 0.000 0.646 261 V HN 0.495 nan 8.190 nan 0.000 0.447 262 D N 2.571 122.790 120.400 -0.301 0.000 2.190 262 D HA -0.196 4.444 4.640 -0.000 0.000 0.200 262 D C 1.882 177.655 176.300 -0.878 0.000 0.992 262 D CA 1.998 55.561 54.000 -0.729 0.000 0.854 262 D CB -0.479 40.074 40.800 -0.412 0.000 0.936 262 D HN 0.567 nan 8.370 nan 0.000 0.462 263 A N -0.999 121.452 122.820 -0.616 0.000 2.209 263 A HA 0.082 4.402 4.320 -0.000 0.000 0.212 263 A C 1.738 179.126 177.584 -0.326 0.000 1.158 263 A CA 0.415 52.062 52.037 -0.652 0.000 0.742 263 A CB -0.971 17.997 19.000 -0.054 0.000 0.790 263 A HN 0.307 nan 8.150 nan 0.000 0.472 264 F N -2.140 117.534 119.950 -0.461 0.000 2.714 264 F HA 0.322 4.849 4.527 -0.000 0.000 0.294 264 F C 0.944 176.440 175.800 -0.507 0.000 1.120 264 F CA 0.241 57.903 58.000 -0.564 0.000 1.398 264 F CB 0.386 38.793 39.000 -0.988 0.000 1.120 264 F HN 0.177 nan 8.300 nan 0.000 0.589 265 F N 0.320 120.229 119.950 -0.068 0.000 2.661 265 F HA 0.190 4.717 4.527 -0.000 0.000 0.306 265 F C 0.503 176.247 175.800 -0.093 0.000 1.094 265 F CA -0.081 57.893 58.000 -0.043 0.000 1.254 265 F CB 0.252 39.338 39.000 0.143 0.000 1.040 265 F HN -0.068 nan 8.300 nan 0.000 0.562 266 D N -0.893 119.486 120.400 -0.036 0.000 2.954 266 D HA -0.235 4.405 4.640 -0.000 0.000 0.200 266 D C 0.067 176.571 176.300 0.340 0.000 1.022 266 D CA 0.821 54.880 54.000 0.098 0.000 1.003 266 D CB -1.541 39.319 40.800 0.100 0.000 1.073 266 D HN 0.380 nan 8.370 nan 0.000 0.438 267 F N -2.125 117.973 119.950 0.247 0.000 2.999 267 F HA -0.322 4.205 4.527 -0.000 0.000 0.291 267 F C 2.258 178.193 175.800 0.226 0.000 0.824 267 F CA 0.473 58.657 58.000 0.307 0.000 1.255 267 F CB -2.855 36.257 39.000 0.187 0.000 1.333 267 F HN 0.334 nan 8.300 nan 0.000 0.502 268 C N -2.372 117.019 119.300 0.151 0.000 2.393 268 C HA -0.203 4.257 4.460 -0.000 0.000 0.292 268 C C 1.848 176.594 174.990 -0.407 0.000 1.347 268 C CA 1.413 60.269 59.018 -0.269 0.000 1.810 268 C CB -1.474 25.878 27.740 -0.645 0.000 1.899 268 C HN 0.599 nan 8.230 nan 0.000 0.532 269 Y N 1.745 122.089 120.300 0.074 0.000 2.588 269 Y HA 0.495 5.045 4.550 -0.000 0.000 0.247 269 Y C 1.370 177.403 175.900 0.223 0.000 1.157 269 Y CA -0.044 58.047 58.100 -0.014 0.000 1.215 269 Y CB -0.377 37.841 38.460 -0.404 0.000 1.245 269 Y HN 0.625 nan 8.280 nan 0.000 0.534 270 G N 0.931 110.015 108.800 0.473 0.000 2.663 270 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.686 270 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.686 270 G C -0.854 174.318 174.900 0.454 0.000 1.246 270 G CA -1.173 44.152 45.100 0.376 0.000 0.795 270 G HN 0.157 nan 8.290 nan 0.000 0.627 271 K N -0.024 120.557 120.400 0.303 0.000 2.504 271 K HA 0.231 4.551 4.320 -0.000 0.000 0.278 271 K C 0.643 177.401 176.600 0.263 0.000 1.025 271 K CA 0.112 56.581 56.287 0.305 0.000 1.093 271 K CB 0.145 32.719 32.500 0.124 0.000 0.873 271 K HN 0.592 nan 8.250 nan 0.000 0.483 272 L N 8.198 129.567 121.223 0.243 0.000 2.260 272 L HA 0.320 4.660 4.340 -0.000 0.000 0.289 272 L C -2.023 174.837 176.870 -0.015 0.000 1.057 272 L CA -2.391 52.466 54.840 0.027 0.000 0.811 272 L CB 1.148 43.094 42.059 -0.188 0.000 1.184 272 L HN 0.632 nan 8.230 nan 0.000 0.429 273 P HA -0.040 nan 4.420 nan 0.000 0.260 273 P C -1.606 175.694 177.300 -0.001 0.000 1.185 273 P CA 0.752 63.903 63.100 0.085 0.000 0.763 273 P CB -0.021 31.754 31.700 0.125 0.000 0.776 274 Y N 2.305 122.745 120.300 0.234 0.000 2.338 274 Y HA 0.452 5.002 4.550 -0.000 0.000 0.333 274 Y C 0.867 176.867 175.900 0.167 0.000 0.968 274 Y CA -1.088 57.139 58.100 0.213 0.000 1.123 274 Y CB 1.871 40.430 38.460 0.165 0.000 1.165 274 Y HN 0.160 nan 8.280 nan 0.000 0.452 275 R N 1.457 122.171 120.500 0.356 0.000 2.531 275 R HA 0.628 4.968 4.340 -0.000 0.000 0.273 275 R C -0.381 176.067 176.300 0.246 0.000 1.070 275 R CA -0.017 56.226 56.100 0.239 0.000 1.112 275 R CB 1.325 31.700 30.300 0.126 0.000 1.049 275 R HN 0.667 nan 8.270 nan 0.000 0.508 276 S N 1.642 117.434 115.700 0.153 0.000 2.851 276 S HA 0.786 5.256 4.470 -0.000 0.000 0.317 276 S C -1.645 173.094 174.600 0.231 0.000 1.144 276 S CA -0.743 57.544 58.200 0.145 0.000 0.862 276 S CB 0.728 63.898 63.200 -0.052 0.000 1.259 276 S HN 0.371 nan 8.310 nan 0.000 0.564 277 L N 1.321 122.707 121.223 0.271 0.000 2.506 277 L HA 0.534 4.874 4.340 -0.000 0.000 0.257 277 L C -1.019 175.713 176.870 -0.231 0.000 0.964 277 L CA -0.524 54.310 54.840 -0.010 0.000 0.836 277 L CB 2.207 44.171 42.059 -0.158 0.000 1.384 277 L HN 0.707 nan 8.230 nan 0.000 0.410 278 E N 1.961 122.009 120.200 -0.254 0.000 2.171 278 E HA 0.547 4.897 4.350 -0.000 0.000 0.271 278 E C -1.699 174.761 176.600 -0.232 0.000 0.916 278 E CA -0.536 55.745 56.400 -0.199 0.000 0.774 278 E CB 1.281 30.959 29.700 -0.038 0.000 1.128 278 E HN 0.327 nan 8.360 nan 0.000 0.403 279 F N 2.534 122.631 119.950 0.245 0.000 2.470 279 F HA 0.532 5.059 4.527 -0.000 0.000 0.329 279 F C 0.469 176.361 175.800 0.153 0.000 1.072 279 F CA -0.960 57.151 58.000 0.185 0.000 0.989 279 F CB 1.503 40.580 39.000 0.129 0.000 1.193 279 F HN 0.241 nan 8.300 nan 0.000 0.481 280 R N 1.617 122.292 120.500 0.292 0.000 2.468 280 R HA 0.277 4.617 4.340 -0.000 0.000 0.302 280 R C -1.284 175.102 176.300 0.143 0.000 1.041 280 R CA -0.705 55.531 56.100 0.226 0.000 0.899 280 R CB 1.099 31.538 30.300 0.231 0.000 1.167 280 R HN 0.687 nan 8.270 nan 0.000 0.483 281 H N 2.205 121.399 119.070 0.207 0.000 2.502 281 H HA 0.297 4.852 4.556 -0.000 0.000 0.327 281 H C -0.288 175.108 175.328 0.113 0.000 1.099 281 H CA -0.055 56.093 56.048 0.167 0.000 1.323 281 H CB 1.837 31.668 29.762 0.116 0.000 1.450 281 H HN 0.477 nan 8.280 nan 0.000 0.502 282 E N 1.288 121.610 120.200 0.204 0.000 2.356 282 E HA 0.288 4.638 4.350 -0.000 0.000 0.275 282 E C -0.924 175.667 176.600 -0.014 0.000 0.904 282 E CA -0.796 55.638 56.400 0.055 0.000 0.757 282 E CB 2.445 32.173 29.700 0.046 0.000 1.232 282 E HN 0.407 nan 8.360 nan 0.000 0.442 283 T N 1.554 116.019 114.554 -0.149 0.000 2.797 283 T HA 0.419 4.769 4.350 -0.000 0.000 0.279 283 T C -1.096 173.433 174.700 -0.285 0.000 0.991 283 T CA -0.629 61.396 62.100 -0.126 0.000 0.979 283 T CB 0.544 69.364 68.868 -0.080 0.000 0.943 283 T HN 0.319 nan 8.240 nan 0.000 0.444 284 H N 0.723 119.796 119.070 0.004 0.000 2.524 284 H HA 0.323 4.879 4.556 -0.000 0.000 0.353 284 H C -0.083 175.250 175.328 0.009 0.000 1.136 284 H CA -0.754 55.302 56.048 0.014 0.000 1.193 284 H CB 1.144 30.918 29.762 0.020 0.000 1.558 284 H HN 0.424 nan 8.280 nan 0.000 0.515 285 D N 1.301 121.783 120.400 0.137 0.000 2.841 285 D HA 0.033 4.672 4.640 -0.000 0.000 0.244 285 D C -0.377 175.989 176.300 0.109 0.000 1.228 285 D CA 0.412 54.475 54.000 0.105 0.000 0.872 285 D CB -0.223 40.636 40.800 0.098 0.000 1.082 285 D HN 0.429 nan 8.370 nan 0.000 0.457 286 T N -1.627 112.991 114.554 0.105 0.000 2.883 286 T HA 0.222 4.572 4.350 -0.000 0.000 0.296 286 T C 0.906 175.646 174.700 0.065 0.000 1.117 286 T CA -0.532 61.616 62.100 0.081 0.000 1.006 286 T CB 1.536 70.441 68.868 0.061 0.000 1.191 286 T HN -0.059 nan 8.240 nan 0.000 0.508 287 E N 0.475 120.709 120.200 0.056 0.000 2.107 287 E HA 0.021 4.371 4.350 -0.000 0.000 0.191 287 E C 0.477 177.083 176.600 0.010 0.000 0.982 287 E CA 0.642 57.068 56.400 0.042 0.000 0.809 287 E CB 0.309 30.033 29.700 0.041 0.000 0.756 287 E HN 0.440 nan 8.360 nan 0.000 0.459 288 Q N 0.031 119.837 119.800 0.011 0.000 2.305 288 Q HA 0.238 4.578 4.340 -0.000 0.000 0.271 288 Q C -0.532 175.475 176.000 0.011 0.000 1.046 288 Q CA -0.274 55.532 55.803 0.006 0.000 0.798 288 Q CB 1.823 30.563 28.738 0.004 0.000 1.286 288 Q HN 0.054 nan 8.270 nan 0.000 0.435 289 L N 3.379 124.610 121.223 0.013 0.000 2.515 289 L HA 0.433 4.773 4.340 -0.000 0.000 0.202 289 L C -0.547 176.311 176.870 -0.021 0.000 1.056 289 L CA 0.743 55.555 54.840 -0.046 0.000 0.847 289 L CB 0.729 42.711 42.059 -0.128 0.000 1.131 289 L HN 0.598 nan 8.230 nan 0.000 0.484 290 L N -0.073 121.163 121.223 0.022 0.000 2.352 290 L HA 0.380 4.720 4.340 -0.000 0.000 0.269 290 L C -1.616 175.264 176.870 0.018 0.000 1.034 290 L CA -1.729 53.094 54.840 -0.028 0.000 0.806 290 L CB 0.449 42.429 42.059 -0.132 0.000 1.244 290 L HN -0.152 nan 8.230 nan 0.000 0.447 291 P HA -0.019 nan 4.420 nan 0.000 0.220 291 P C 0.233 177.456 177.300 -0.128 0.000 1.152 291 P CA 0.789 63.869 63.100 -0.034 0.000 0.812 291 P CB 0.225 31.891 31.700 -0.058 0.000 0.792 292 T N -6.185 108.152 114.554 -0.360 0.000 2.742 292 T HA 0.554 4.904 4.350 -0.000 0.000 0.282 292 T C 1.434 175.629 174.700 -0.842 0.000 1.025 292 T CA -0.180 61.587 62.100 -0.554 0.000 1.020 292 T CB 0.868 69.539 68.868 -0.327 0.000 1.317 292 T HN -0.082 nan 8.240 nan 0.000 0.538 293 G N -0.001 108.484 108.800 -0.524 0.000 2.432 293 G HA2 0.281 4.241 3.960 -0.000 0.000 0.219 293 G HA3 0.281 4.241 3.960 -0.000 0.000 0.219 293 G C 0.298 175.127 174.900 -0.120 0.000 1.135 293 G CA 0.828 45.822 45.100 -0.177 0.000 0.767 293 G HN 0.918 nan 8.290 nan 0.000 0.550 294 T N -0.796 113.629 114.554 -0.216 0.000 2.993 294 T HA 0.488 4.838 4.350 -0.000 0.000 0.312 294 T C -1.255 173.294 174.700 -0.251 0.000 1.115 294 T CA -0.480 61.508 62.100 -0.185 0.000 1.027 294 T CB 2.828 71.659 68.868 -0.062 0.000 1.116 294 T HN -0.080 nan 8.240 nan 0.000 0.464 295 V N 3.715 123.494 119.914 -0.225 0.000 2.448 295 V HA 0.493 4.613 4.120 -0.000 0.000 0.295 295 V C -0.401 175.524 176.094 -0.283 0.000 1.025 295 V CA -1.011 61.115 62.300 -0.290 0.000 0.859 295 V CB 1.789 33.414 31.823 -0.330 0.000 0.988 295 V HN 0.748 nan 8.190 nan 0.000 0.431 296 N N 2.684 121.218 118.700 -0.276 0.000 2.509 296 N HA 0.458 5.198 4.740 -0.000 0.000 0.287 296 N C -1.102 174.253 175.510 -0.258 0.000 1.121 296 N CA -0.243 52.750 53.050 -0.095 0.000 0.977 296 N CB 1.134 39.604 38.487 -0.028 0.000 1.167 296 N HN 0.590 nan 8.380 nan 0.000 0.476 297 Y N 1.153 121.545 120.300 0.152 0.000 2.863 297 Y HA 0.301 4.850 4.550 -0.000 0.000 0.348 297 Y C -1.497 174.443 175.900 0.065 0.000 1.028 297 Y CA -1.603 56.549 58.100 0.087 0.000 1.213 297 Y CB 1.579 40.093 38.460 0.091 0.000 1.120 297 Y HN 0.526 nan 8.280 nan 0.000 0.598 298 P HA -0.087 nan 4.420 nan 0.000 0.219 298 P C 0.335 177.652 177.300 0.029 0.000 1.150 298 P CA 1.523 64.697 63.100 0.123 0.000 0.814 298 P CB 0.482 32.154 31.700 -0.046 0.000 0.787 299 N N -1.670 117.030 118.700 0.000 0.000 2.160 299 N HA 0.109 4.849 4.740 -0.000 0.000 0.226 299 N C -0.411 175.059 175.510 -0.065 0.000 1.256 299 N CA 0.155 53.180 53.050 -0.042 0.000 0.890 299 N CB 1.038 39.481 38.487 -0.073 0.000 1.116 299 N HN 0.162 nan 8.380 nan 0.000 0.517 300 D N 0.298 120.678 120.400 -0.033 0.000 2.601 300 D HA 0.379 5.019 4.640 -0.000 0.000 0.230 300 D C -0.280 175.875 176.300 -0.242 0.000 1.106 300 D CA -0.155 53.730 54.000 -0.193 0.000 0.873 300 D CB 1.950 42.656 40.800 -0.157 0.000 1.515 300 D HN -0.144 nan 8.370 nan 0.000 0.468 301 Y N -0.632 119.441 120.300 -0.377 0.000 2.501 301 Y HA -0.274 4.276 4.550 -0.000 0.000 0.028 301 Y C 1.116 176.700 175.900 -0.526 0.000 1.696 301 Y CA 0.239 57.967 58.100 -0.620 0.000 1.423 301 Y CB -0.981 36.654 38.460 -1.375 0.000 2.068 301 Y HN 0.490 nan 8.280 nan 0.000 0.253 302 A N 0.199 122.834 122.820 -0.307 0.000 2.021 302 A HA 0.115 4.435 4.320 -0.000 0.000 0.216 302 A C 0.231 177.675 177.584 -0.234 0.000 1.163 302 A CA 1.163 53.120 52.037 -0.132 0.000 0.676 302 A CB -0.588 18.492 19.000 0.133 0.000 0.818 302 A HN 0.644 nan 8.150 nan 0.000 0.453 303 Y N -1.024 119.087 120.300 -0.315 0.000 2.309 303 Y HA 0.457 5.007 4.550 -0.000 0.000 0.327 303 Y C 1.450 177.222 175.900 -0.214 0.000 1.172 303 Y CA -0.294 57.495 58.100 -0.519 0.000 1.280 303 Y CB -0.066 37.972 38.460 -0.704 0.000 1.234 303 Y HN 0.056 nan 8.280 nan 0.000 0.512 304 T N -0.348 114.162 114.554 -0.074 0.000 2.942 304 T HA 0.129 4.479 4.350 -0.000 0.000 0.265 304 T C 0.312 175.111 174.700 0.164 0.000 1.062 304 T CA 0.705 62.722 62.100 -0.140 0.000 1.139 304 T CB -0.234 68.385 68.868 -0.415 0.000 0.883 304 T HN 0.868 nan 8.240 nan 0.000 0.468 305 R N -0.804 119.837 120.500 0.235 0.000 2.728 305 R HA 0.643 4.983 4.340 -0.000 0.000 0.274 305 R C -2.421 173.925 176.300 0.076 0.000 1.032 305 R CA -1.089 55.157 56.100 0.243 0.000 0.866 305 R CB 1.265 31.656 30.300 0.151 0.000 1.263 305 R HN 0.007 nan 8.270 nan 0.000 0.475 306 V N 0.751 120.635 119.914 -0.049 0.000 2.588 306 V HA 0.604 4.724 4.120 -0.000 0.000 0.304 306 V C -0.549 175.355 176.094 -0.317 0.000 1.042 306 V CA -0.753 61.318 62.300 -0.381 0.000 0.877 306 V CB 1.960 33.475 31.823 -0.514 0.000 0.996 306 V HN 0.828 nan 8.190 nan 0.000 0.425 307 S N 2.538 117.995 115.700 -0.405 0.000 2.526 307 S HA 0.560 5.030 4.470 -0.000 0.000 0.293 307 S C -0.743 173.545 174.600 -0.520 0.000 1.092 307 S CA -0.671 57.291 58.200 -0.395 0.000 0.980 307 S CB 2.049 65.022 63.200 -0.378 0.000 1.048 307 S HN 0.839 nan 8.310 nan 0.000 0.483 308 E N 1.528 121.512 120.200 -0.360 0.000 2.129 308 E HA 0.339 4.689 4.350 -0.000 0.000 0.268 308 E C -0.351 176.141 176.600 -0.180 0.000 0.900 308 E CA -0.398 55.865 56.400 -0.229 0.000 0.755 308 E CB 0.496 30.235 29.700 0.065 0.000 1.117 308 E HN 0.618 nan 8.360 nan 0.000 0.410 309 F N 3.043 122.955 119.950 -0.064 0.000 2.293 309 F HA -0.102 4.425 4.527 -0.000 0.000 0.300 309 F C 1.959 177.678 175.800 -0.136 0.000 1.086 309 F CA 0.768 58.670 58.000 -0.162 0.000 1.375 309 F CB 0.099 38.945 39.000 -0.257 0.000 1.045 309 F HN 0.407 nan 8.300 nan 0.000 0.516 310 K N -0.626 119.808 120.400 0.056 0.000 2.283 310 K HA -0.139 4.181 4.320 -0.000 0.000 0.202 310 K C 1.693 178.249 176.600 -0.073 0.000 1.048 310 K CA 0.890 57.157 56.287 -0.033 0.000 0.948 310 K CB -0.296 32.162 32.500 -0.070 0.000 0.742 310 K HN 0.413 nan 8.250 nan 0.000 0.458 311 H N 0.248 119.308 119.070 -0.017 0.000 2.389 311 H HA -0.018 4.538 4.556 -0.000 0.000 0.299 311 H C 2.042 177.307 175.328 -0.106 0.000 1.081 311 H CA 1.220 57.285 56.048 0.028 0.000 1.345 311 H CB 0.160 29.979 29.762 0.095 0.000 1.393 311 H HN 0.172 nan 8.280 nan 0.000 0.520 312 I N 0.458 120.961 120.570 -0.111 0.000 2.585 312 I HA -0.137 4.033 4.170 -0.000 0.000 0.254 312 I C 2.545 178.393 176.117 -0.449 0.000 1.129 312 I CA 1.267 62.232 61.300 -0.559 0.000 1.455 312 I CB -0.042 37.842 38.000 -0.193 0.000 1.111 312 I HN 0.233 nan 8.210 nan 0.000 0.433 313 T N -2.280 112.158 114.554 -0.193 0.000 3.035 313 T HA 0.193 4.543 4.350 -0.000 0.000 0.259 313 T C 1.739 176.375 174.700 -0.107 0.000 1.078 313 T CA 0.705 62.722 62.100 -0.137 0.000 1.132 313 T CB 0.256 69.053 68.868 -0.118 0.000 0.900 313 T HN 0.463 nan 8.240 nan 0.000 0.480 314 G N 1.166 109.915 108.800 -0.084 0.000 2.179 314 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 314 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 314 G C -0.060 174.828 174.900 -0.021 0.000 0.977 314 G CA 0.312 45.391 45.100 -0.035 0.000 0.641 314 G HN 0.941 nan 8.290 nan 0.000 0.533 315 Q N 0.127 119.912 119.800 -0.024 0.000 2.428 315 Q HA 0.317 4.657 4.340 -0.000 0.000 0.276 315 Q C 0.594 176.616 176.000 0.038 0.000 1.059 315 Q CA 0.015 55.829 55.803 0.017 0.000 0.923 315 Q CB 0.333 29.084 28.738 0.021 0.000 1.283 315 Q HN 0.528 nan 8.270 nan 0.000 0.447 316 R N 2.783 123.325 120.500 0.069 0.000 2.338 316 R HA 0.305 4.645 4.340 -0.000 0.000 0.317 316 R C -1.428 174.956 176.300 0.142 0.000 0.968 316 R CA -0.403 55.743 56.100 0.076 0.000 0.849 316 R CB 0.909 31.238 30.300 0.049 0.000 1.128 316 R HN 0.742 nan 8.270 nan 0.000 0.448 317 H N 2.935 122.022 119.070 0.027 0.000 3.079 317 H HA 0.068 4.624 4.556 -0.000 0.000 0.356 317 H C 0.024 175.373 175.328 0.035 0.000 1.221 317 H CA -0.451 55.618 56.048 0.034 0.000 1.185 317 H CB 1.335 31.087 29.762 -0.017 0.000 1.882 317 H HN 0.930 nan 8.280 nan 0.000 0.543 318 H N 1.558 120.610 119.070 -0.029 0.000 2.547 318 H HA 0.176 4.732 4.556 -0.000 0.000 0.272 318 H C -0.409 175.041 175.328 0.204 0.000 0.989 318 H CA 0.107 56.191 56.048 0.060 0.000 1.214 318 H CB 1.072 30.814 29.762 -0.033 0.000 1.389 318 H HN 0.428 nan 8.280 nan 0.000 0.577 319 Q N 0.204 120.040 119.800 0.059 0.000 2.572 319 Q HA 0.493 4.833 4.340 -0.000 0.000 0.284 319 Q C -0.857 175.122 176.000 -0.036 0.000 1.091 319 Q CA -0.946 54.845 55.803 -0.020 0.000 0.840 319 Q CB 2.656 31.297 28.738 -0.160 0.000 1.433 319 Q HN 0.140 nan 8.270 nan 0.000 0.471 320 T N -0.260 114.265 114.554 -0.049 0.000 2.933 320 T HA 0.515 4.865 4.350 -0.000 0.000 0.305 320 T C -1.482 173.224 174.700 0.011 0.000 1.092 320 T CA -0.412 61.666 62.100 -0.037 0.000 1.008 320 T CB 1.482 70.360 68.868 0.017 0.000 1.102 320 T HN 0.448 nan 8.240 nan 0.000 0.469 321 S N 1.880 117.594 115.700 0.023 0.000 2.482 321 S HA 0.819 5.289 4.470 -0.000 0.000 0.303 321 S C -0.366 174.318 174.600 0.139 0.000 1.091 321 S CA -0.694 57.570 58.200 0.106 0.000 1.057 321 S CB 1.481 64.744 63.200 0.106 0.000 1.031 321 S HN 0.911 nan 8.310 nan 0.000 0.485 322 V N 0.174 120.153 119.914 0.109 0.000 3.102 322 V HA 0.957 5.077 4.120 -0.000 0.000 0.312 322 V C -0.785 175.252 176.094 -0.096 0.000 1.135 322 V CA -0.818 61.416 62.300 -0.111 0.000 1.022 322 V CB 1.754 33.469 31.823 -0.180 0.000 1.056 322 V HN 0.626 nan 8.190 nan 0.000 0.436 323 V N 2.292 122.002 119.914 -0.341 0.000 2.709 323 V HA 0.671 4.791 4.120 -0.000 0.000 0.308 323 V C -1.618 174.261 176.094 -0.358 0.000 1.062 323 V CA -0.444 61.676 62.300 -0.300 0.000 0.901 323 V CB 1.966 33.593 31.823 -0.326 0.000 1.003 323 V HN 0.881 nan 8.190 nan 0.000 0.425 324 Y N 3.862 124.075 120.300 -0.145 0.000 2.330 324 Y HA 0.522 5.072 4.550 -0.000 0.000 0.336 324 Y C 0.566 176.445 175.900 -0.034 0.000 1.036 324 Y CA -0.336 57.643 58.100 -0.202 0.000 1.125 324 Y CB 1.511 39.755 38.460 -0.359 0.000 1.194 324 Y HN 0.579 nan 8.280 nan 0.000 0.469 325 E N 3.210 123.439 120.200 0.048 0.000 2.146 325 E HA 0.232 4.581 4.350 -0.000 0.000 0.282 325 E C -1.571 174.973 176.600 -0.094 0.000 0.989 325 E CA -0.616 55.835 56.400 0.085 0.000 0.799 325 E CB 0.844 30.622 29.700 0.130 0.000 1.088 325 E HN 0.497 nan 8.360 nan 0.000 0.397 326 Y N 3.437 123.740 120.300 0.004 0.000 2.331 326 Y HA 0.270 4.820 4.550 -0.000 0.000 0.338 326 Y C -2.141 173.713 175.900 -0.078 0.000 0.976 326 Y CA -2.943 55.153 58.100 -0.006 0.000 1.137 326 Y CB 1.043 39.508 38.460 0.009 0.000 1.172 326 Y HN 0.410 nan 8.280 nan 0.000 0.478 327 P HA 0.185 nan 4.420 nan 0.000 0.268 327 P C -0.537 176.767 177.300 0.006 0.000 1.204 327 P CA -0.128 62.943 63.100 -0.049 0.000 0.768 327 P CB 0.711 32.340 31.700 -0.119 0.000 0.842 328 R N 2.155 122.656 120.500 0.001 0.000 2.574 328 R HA 0.480 4.820 4.340 -0.000 0.000 0.288 328 R C 0.735 177.053 176.300 0.029 0.000 1.004 328 R CA -0.796 55.316 56.100 0.020 0.000 0.895 328 R CB 1.857 32.168 30.300 0.020 0.000 1.191 328 R HN 0.405 nan 8.270 nan 0.000 0.444 329 A N 2.289 125.131 122.820 0.037 0.000 1.855 329 A HA -0.074 4.245 4.320 -0.000 0.000 0.215 329 A C 0.472 178.091 177.584 0.059 0.000 1.191 329 A CA 1.286 53.358 52.037 0.058 0.000 0.613 329 A CB -0.032 19.003 19.000 0.058 0.000 0.829 329 A HN 0.562 nan 8.150 nan 0.000 0.442 330 E N -1.831 118.393 120.200 0.039 0.000 2.283 330 E HA 0.548 4.898 4.350 -0.000 0.000 0.271 330 E C 0.337 176.941 176.600 0.007 0.000 1.031 330 E CA 0.867 57.285 56.400 0.030 0.000 0.868 330 E CB 1.279 30.993 29.700 0.023 0.000 1.094 330 E HN 0.805 nan 8.360 nan 0.000 0.401 331 G N 1.694 110.487 108.800 -0.013 0.000 2.334 331 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.315 331 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.315 331 G C -1.378 173.438 174.900 -0.141 0.000 1.284 331 G CA -1.001 44.067 45.100 -0.053 0.000 0.985 331 G HN 0.494 nan 8.290 nan 0.000 0.504 332 D N 2.120 122.377 120.400 -0.238 0.000 2.493 332 D HA 0.425 5.065 4.640 -0.000 0.000 0.240 332 D C -1.986 173.903 176.300 -0.686 0.000 1.142 332 D CA 0.110 53.866 54.000 -0.407 0.000 0.872 332 D CB 0.863 41.433 40.800 -0.382 0.000 1.173 332 D HN 0.193 nan 8.370 nan 0.000 0.467 333 P HA 0.047 nan 4.420 nan 0.000 0.270 333 P C -0.427 176.685 177.300 -0.313 0.000 1.242 333 P CA 0.387 63.274 63.100 -0.355 0.000 0.768 333 P CB 0.161 31.519 31.700 -0.569 0.000 0.820 334 Y N 1.083 121.402 120.300 0.032 0.000 2.589 334 Y HA 0.223 4.773 4.550 -0.000 0.000 0.271 334 Y C 0.283 175.999 175.900 -0.307 0.000 1.107 334 Y CA -0.272 57.750 58.100 -0.130 0.000 1.273 334 Y CB 0.463 38.858 38.460 -0.108 0.000 1.266 334 Y HN 0.204 nan 8.280 nan 0.000 0.504 335 Y N 1.055 121.449 120.300 0.158 0.000 2.391 335 Y HA 0.436 4.986 4.550 -0.000 0.000 0.341 335 Y C -2.723 173.254 175.900 0.128 0.000 0.965 335 Y CA -3.421 54.688 58.100 0.014 0.000 1.067 335 Y CB 1.263 39.659 38.460 -0.108 0.000 1.199 335 Y HN -0.207 nan 8.280 nan 0.000 0.450 336 P HA 0.146 nan 4.420 nan 0.000 0.274 336 P C -0.819 176.458 177.300 -0.038 0.000 1.231 336 P CA -0.358 62.550 63.100 -0.321 0.000 0.790 336 P CB 0.944 32.067 31.700 -0.961 0.000 0.951 337 V N 4.176 124.078 119.914 -0.019 0.000 2.247 337 V HA 0.208 4.328 4.120 -0.000 0.000 0.262 337 V C -2.142 173.935 176.094 -0.029 0.000 1.096 337 V CA -1.803 60.545 62.300 0.080 0.000 0.895 337 V CB 0.509 32.442 31.823 0.182 0.000 1.141 337 V HN 0.484 nan 8.190 nan 0.000 0.478 338 P HA 0.169 nan 4.420 nan 0.000 0.263 338 P C -0.191 177.069 177.300 -0.067 0.000 1.276 338 P CA 0.334 63.393 63.100 -0.068 0.000 0.986 338 P CB -0.050 31.612 31.700 -0.062 0.000 1.105 339 R N 2.801 123.303 120.500 0.003 0.000 2.680 339 R HA 0.473 4.813 4.340 -0.000 0.000 0.269 339 R C -2.728 173.594 176.300 0.036 0.000 1.026 339 R CA -2.070 54.029 56.100 -0.000 0.000 0.889 339 R CB 0.247 30.542 30.300 -0.009 0.000 1.241 339 R HN -0.122 nan 8.270 nan 0.000 0.463 340 P HA -0.314 nan 4.420 nan 0.000 0.218 340 P C 0.817 178.142 177.300 0.041 0.000 1.154 340 P CA 1.980 65.097 63.100 0.029 0.000 0.872 340 P CB 0.124 31.833 31.700 0.014 0.000 0.790 341 E N -1.087 119.138 120.200 0.041 0.000 2.107 341 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 341 E C 1.492 178.129 176.600 0.062 0.000 0.982 341 E CA 1.096 57.522 56.400 0.043 0.000 0.809 341 E CB -1.026 28.698 29.700 0.040 0.000 0.756 341 E HN 0.190 nan 8.360 nan 0.000 0.459 342 N N 1.690 120.443 118.700 0.088 0.000 2.244 342 N HA -0.055 4.684 4.740 -0.000 0.000 0.183 342 N C 1.868 177.464 175.510 0.143 0.000 1.016 342 N CA 1.512 54.635 53.050 0.121 0.000 0.866 342 N CB -0.420 38.188 38.487 0.202 0.000 0.980 342 N HN 0.355 nan 8.380 nan 0.000 0.430 343 A N 1.130 124.047 122.820 0.162 0.000 1.877 343 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 343 A C 2.159 179.826 177.584 0.139 0.000 1.186 343 A CA 1.597 53.744 52.037 0.183 0.000 0.620 343 A CB -0.667 18.412 19.000 0.133 0.000 0.822 343 A HN 0.369 nan 8.150 nan 0.000 0.443 344 E N -0.519 119.725 120.200 0.072 0.000 2.110 344 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 344 E C 1.958 178.552 176.600 -0.011 0.000 0.988 344 E CA 0.973 57.384 56.400 0.019 0.000 0.804 344 E CB -0.173 29.528 29.700 0.001 0.000 0.745 344 E HN 0.615 nan 8.360 nan 0.000 0.458 345 L N 0.070 121.307 121.223 0.024 0.000 2.056 345 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 345 L C 2.421 179.343 176.870 0.087 0.000 1.078 345 L CA 1.385 56.245 54.840 0.034 0.000 0.749 345 L CB -0.329 41.779 42.059 0.082 0.000 0.901 345 L HN 0.311 nan 8.230 nan 0.000 0.433 346 Y N 0.943 121.201 120.300 -0.069 0.000 2.181 346 Y HA -0.301 4.249 4.550 -0.000 0.000 0.288 346 Y C 2.500 178.414 175.900 0.022 0.000 1.146 346 Y CA 1.722 59.777 58.100 -0.076 0.000 1.164 346 Y CB -0.207 38.116 38.460 -0.229 0.000 0.982 346 Y HN 0.041 nan 8.280 nan 0.000 0.515 347 K N 0.314 120.620 120.400 -0.158 0.000 2.103 347 K HA -0.215 4.104 4.320 -0.000 0.000 0.207 347 K C 2.094 178.497 176.600 -0.328 0.000 1.048 347 K CA 1.805 57.937 56.287 -0.257 0.000 0.930 347 K CB -0.132 32.306 32.500 -0.103 0.000 0.716 347 K HN 0.376 nan 8.250 nan 0.000 0.444 348 K N 0.010 120.184 120.400 -0.376 0.000 1.991 348 K HA -0.193 4.127 4.320 -0.000 0.000 0.212 348 K C 2.167 178.513 176.600 -0.424 0.000 1.049 348 K CA 1.870 57.782 56.287 -0.625 0.000 0.932 348 K CB -0.368 31.357 32.500 -1.291 0.000 0.717 348 K HN 0.212 nan 8.250 nan 0.000 0.441 349 Y N 1.273 121.453 120.300 -0.200 0.000 2.274 349 Y HA -0.200 4.350 4.550 -0.000 0.000 0.290 349 Y C 2.529 178.265 175.900 -0.274 0.000 1.145 349 Y CA 1.284 59.346 58.100 -0.063 0.000 1.203 349 Y CB -0.132 38.374 38.460 0.078 0.000 0.984 349 Y HN 0.265 nan 8.280 nan 0.000 0.533 350 E N 0.315 120.252 120.200 -0.438 0.000 2.110 350 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 350 E C 2.327 178.774 176.600 -0.255 0.000 0.988 350 E CA 0.955 57.060 56.400 -0.492 0.000 0.804 350 E CB -0.154 29.153 29.700 -0.656 0.000 0.745 350 E HN 0.441 nan 8.360 nan 0.000 0.458 351 A N 1.278 123.960 122.820 -0.230 0.000 1.865 351 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 351 A C 2.219 179.708 177.584 -0.158 0.000 1.191 351 A CA 1.488 53.425 52.037 -0.167 0.000 0.623 351 A CB -0.857 18.040 19.000 -0.172 0.000 0.826 351 A HN 0.314 nan 8.150 nan 0.000 0.444 352 L N -0.741 120.330 121.223 -0.253 0.000 2.043 352 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 352 L C 3.093 179.943 176.870 -0.033 0.000 1.075 352 L CA 1.367 55.974 54.840 -0.389 0.000 0.752 352 L CB -0.858 40.427 42.059 -1.290 0.000 0.891 352 L HN 0.464 nan 8.230 nan 0.000 0.432 353 A N 0.184 123.014 122.820 0.017 0.000 1.877 353 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 353 A C 1.892 179.458 177.584 -0.030 0.000 1.186 353 A CA 2.050 53.970 52.037 -0.194 0.000 0.620 353 A CB -0.610 17.776 19.000 -1.023 0.000 0.822 353 A HN 0.371 nan 8.150 nan 0.000 0.443 354 D N 0.078 120.450 120.400 -0.046 0.000 2.221 354 D HA -0.025 4.615 4.640 -0.000 0.000 0.204 354 D C 2.049 178.386 176.300 0.062 0.000 0.982 354 D CA 1.353 55.370 54.000 0.028 0.000 0.857 354 D CB -0.294 40.505 40.800 -0.001 0.000 0.934 354 D HN 0.461 nan 8.370 nan 0.000 0.475 355 A N 0.951 123.800 122.820 0.049 0.000 1.874 355 A HA 0.228 4.548 4.320 -0.000 0.000 0.214 355 A C 1.501 179.159 177.584 0.124 0.000 1.189 355 A CA 0.803 52.877 52.037 0.061 0.000 0.615 355 A CB -0.670 18.339 19.000 0.016 0.000 0.830 355 A HN 0.204 nan 8.150 nan 0.000 0.443 356 A N 0.729 123.676 122.820 0.211 0.000 2.563 356 A HA 0.174 4.494 4.320 -0.000 0.000 0.256 356 A C 1.191 178.889 177.584 0.190 0.000 1.056 356 A CA 0.141 52.342 52.037 0.273 0.000 0.775 356 A CB 0.030 19.309 19.000 0.465 0.000 0.973 356 A HN 0.547 nan 8.150 nan 0.000 0.516 357 Q N 1.859 121.734 119.800 0.125 0.000 1.941 357 Q HA -0.109 4.231 4.340 -0.000 0.000 0.201 357 Q C 0.062 176.071 176.000 0.014 0.000 0.982 357 Q CA 1.459 57.309 55.803 0.078 0.000 0.839 357 Q CB -0.186 28.582 28.738 0.051 0.000 0.904 357 Q HN 0.849 nan 8.270 nan 0.000 0.427 358 D N 0.829 121.175 120.400 -0.089 0.000 2.690 358 D HA 0.168 4.808 4.640 -0.000 0.000 0.236 358 D C -0.559 175.409 176.300 -0.552 0.000 1.218 358 D CA 0.088 53.831 54.000 -0.427 0.000 0.829 358 D CB 0.560 41.208 40.800 -0.255 0.000 1.009 358 D HN -0.088 nan 8.370 nan 0.000 0.482 359 V N 0.609 120.401 119.914 -0.203 0.000 2.567 359 V HA 0.212 4.332 4.120 -0.000 0.000 0.298 359 V C 0.029 176.242 176.094 0.198 0.000 1.047 359 V CA -0.677 61.600 62.300 -0.039 0.000 0.880 359 V CB 2.207 34.008 31.823 -0.038 0.000 1.009 359 V HN -0.058 nan 8.190 nan 0.000 0.429 360 T N 5.500 120.213 114.554 0.265 0.000 2.743 360 T HA 0.617 4.967 4.350 -0.000 0.000 0.292 360 T C -0.540 174.218 174.700 0.098 0.000 0.972 360 T CA -0.081 62.191 62.100 0.286 0.000 0.967 360 T CB 0.366 69.405 68.868 0.285 0.000 0.926 360 T HN 0.275 nan 8.240 nan 0.000 0.459 361 F N 2.797 122.804 119.950 0.095 0.000 2.411 361 F HA 0.627 5.154 4.527 -0.000 0.000 0.350 361 F C 0.368 176.231 175.800 0.105 0.000 1.114 361 F CA -0.646 57.407 58.000 0.088 0.000 1.135 361 F CB 1.186 40.249 39.000 0.106 0.000 1.120 361 F HN 0.233 nan 8.300 nan 0.000 0.495 362 V N 2.575 122.603 119.914 0.191 0.000 3.048 362 V HA 0.900 5.020 4.120 -0.000 0.000 0.303 362 V C -0.513 175.646 176.094 0.109 0.000 1.214 362 V CA 0.223 62.618 62.300 0.158 0.000 0.984 362 V CB 1.595 33.484 31.823 0.111 0.000 1.054 362 V HN 1.140 nan 8.190 nan 0.000 0.430 363 G N 4.633 113.524 108.800 0.153 0.000 2.392 363 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.677 363 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.677 363 G C 0.079 175.069 174.900 0.150 0.000 1.334 363 G CA 0.139 45.320 45.100 0.136 0.000 0.961 363 G HN 1.232 nan 8.290 nan 0.000 0.616 364 R N -0.382 120.204 120.500 0.143 0.000 2.105 364 R HA -0.025 4.315 4.340 -0.000 0.000 0.239 364 R C 2.087 178.436 176.300 0.080 0.000 1.135 364 R CA 2.139 58.297 56.100 0.096 0.000 0.967 364 R CB -0.316 30.043 30.300 0.100 0.000 0.861 364 R HN 0.551 nan 8.270 nan 0.000 0.442 365 L N -0.545 120.732 121.223 0.089 0.000 2.168 365 L HA 0.114 4.454 4.340 -0.000 0.000 0.203 365 L C 2.695 179.718 176.870 0.255 0.000 1.078 365 L CA 0.799 55.728 54.840 0.149 0.000 0.780 365 L CB -0.517 41.518 42.059 -0.040 0.000 0.939 365 L HN 0.221 nan 8.230 nan 0.000 0.451 366 A N 0.287 123.223 122.820 0.194 0.000 1.969 366 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 366 A C 2.088 179.934 177.584 0.437 0.000 1.169 366 A CA 2.080 54.328 52.037 0.352 0.000 0.635 366 A CB -0.661 18.494 19.000 0.259 0.000 0.810 366 A HN 0.492 nan 8.150 nan 0.000 0.445 367 T N -7.269 107.460 114.554 0.293 0.000 3.182 367 T HA 0.254 4.604 4.350 -0.000 0.000 0.277 367 T C 0.181 174.835 174.700 -0.077 0.000 1.013 367 T CA 0.003 62.250 62.100 0.244 0.000 0.900 367 T CB -0.428 68.571 68.868 0.219 0.000 1.098 367 T HN 0.621 nan 8.240 nan 0.000 0.543 368 Y N 2.179 122.358 120.300 -0.202 0.000 3.027 368 Y HA -0.253 4.297 4.550 -0.000 0.000 0.195 368 Y C -0.372 175.320 175.900 -0.346 0.000 1.381 368 Y CA 0.028 57.923 58.100 -0.342 0.000 1.015 368 Y CB -1.689 36.263 38.460 -0.847 0.000 1.329 368 Y HN 0.493 nan 8.280 nan 0.000 0.462 369 R N 1.767 122.075 120.500 -0.320 0.000 2.532 369 R HA 0.231 4.571 4.340 -0.000 0.000 0.297 369 R C -0.913 175.199 176.300 -0.313 0.000 0.984 369 R CA -1.160 54.651 56.100 -0.483 0.000 0.884 369 R CB 0.973 30.697 30.300 -0.960 0.000 1.182 369 R HN 0.174 nan 8.270 nan 0.000 0.442 370 Y N 4.204 124.348 120.300 -0.260 0.000 2.619 370 Y HA 0.013 4.563 4.550 -0.000 0.000 0.339 370 Y C -0.935 175.037 175.900 0.120 0.000 1.224 370 Y CA -0.187 57.910 58.100 -0.005 0.000 1.946 370 Y CB -0.412 38.102 38.460 0.090 0.000 1.957 370 Y HN 0.366 nan 8.280 nan 0.000 0.421 371 Y N 1.772 122.239 120.300 0.277 0.000 2.334 371 Y HA 0.279 4.829 4.550 -0.000 0.000 0.328 371 Y C 0.668 176.670 175.900 0.169 0.000 1.130 371 Y CA -1.640 56.567 58.100 0.178 0.000 1.163 371 Y CB 0.708 39.227 38.460 0.098 0.000 1.207 371 Y HN 0.321 nan 8.280 nan 0.000 0.471 372 N N 2.076 120.927 118.700 0.251 0.000 2.379 372 N HA 0.189 4.929 4.740 -0.000 0.000 0.260 372 N C 1.244 176.735 175.510 -0.033 0.000 1.254 372 N CA -0.223 52.879 53.050 0.087 0.000 0.958 372 N CB 0.575 39.026 38.487 -0.060 0.000 1.208 372 N HN 0.652 nan 8.380 nan 0.000 0.532 373 M N 0.313 119.861 119.600 -0.087 0.000 2.073 373 M HA -0.228 4.252 4.480 -0.000 0.000 0.258 373 M C 1.503 177.594 176.300 -0.349 0.000 1.070 373 M CA 1.688 56.866 55.300 -0.204 0.000 1.103 373 M CB -0.417 32.080 32.600 -0.172 0.000 1.321 373 M HN 0.579 nan 8.290 nan 0.000 0.405 374 D N 0.106 120.252 120.400 -0.424 0.000 2.123 374 D HA -0.224 4.416 4.640 -0.000 0.000 0.196 374 D C 1.700 177.830 176.300 -0.283 0.000 0.992 374 D CA 1.643 55.426 54.000 -0.363 0.000 0.833 374 D CB -0.702 39.757 40.800 -0.570 0.000 0.954 374 D HN 0.524 nan 8.370 nan 0.000 0.455 375 Q N 0.330 119.926 119.800 -0.340 0.000 2.050 375 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 375 Q C 2.712 178.475 176.000 -0.394 0.000 0.980 375 Q CA 1.348 56.870 55.803 -0.468 0.000 0.840 375 Q CB -0.082 28.192 28.738 -0.773 0.000 0.898 375 Q HN 0.195 nan 8.270 nan 0.000 0.424 376 V N 0.472 120.261 119.914 -0.208 0.000 2.392 376 V HA -0.244 3.876 4.120 -0.000 0.000 0.249 376 V C 2.247 178.332 176.094 -0.014 0.000 1.059 376 V CA 1.448 63.742 62.300 -0.009 0.000 1.051 376 V CB -0.517 31.382 31.823 0.126 0.000 0.658 376 V HN 0.202 nan 8.190 nan 0.000 0.455 377 V N 0.270 120.142 119.914 -0.071 0.000 2.343 377 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 377 V C 2.680 178.742 176.094 -0.053 0.000 1.051 377 V CA 2.111 64.398 62.300 -0.021 0.000 1.036 377 V CB -1.077 30.740 31.823 -0.010 0.000 0.654 377 V HN 0.576 nan 8.190 nan 0.000 0.451 378 A N -1.039 121.725 122.820 -0.093 0.000 1.930 378 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 378 A C 2.249 179.795 177.584 -0.063 0.000 1.175 378 A CA 1.906 53.888 52.037 -0.092 0.000 0.627 378 A CB -0.502 18.426 19.000 -0.120 0.000 0.815 378 A HN 0.588 nan 8.150 nan 0.000 0.443 379 Q N -0.566 119.199 119.800 -0.059 0.000 2.124 379 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 379 Q C 2.186 178.210 176.000 0.041 0.000 0.977 379 Q CA 1.409 57.224 55.803 0.019 0.000 0.850 379 Q CB -0.302 28.491 28.738 0.090 0.000 0.901 379 Q HN 0.618 nan 8.270 nan 0.000 0.429 380 A N 0.748 123.584 122.820 0.027 0.000 1.873 380 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 380 A C 2.041 179.631 177.584 0.009 0.000 1.186 380 A CA 1.079 53.131 52.037 0.026 0.000 0.616 380 A CB -0.708 18.306 19.000 0.025 0.000 0.823 380 A HN 0.428 nan 8.150 nan 0.000 0.442 381 L N -0.732 120.462 121.223 -0.049 0.000 2.012 381 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 381 L C 3.150 180.054 176.870 0.055 0.000 1.073 381 L CA 1.233 56.042 54.840 -0.051 0.000 0.748 381 L CB -0.677 41.292 42.059 -0.150 0.000 0.891 381 L HN 0.456 nan 8.230 nan 0.000 0.431 382 A N -0.354 122.481 122.820 0.024 0.000 1.883 382 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 382 A C 2.356 179.965 177.584 0.041 0.000 1.186 382 A CA 2.457 54.512 52.037 0.030 0.000 0.624 382 A CB -1.024 17.991 19.000 0.025 0.000 0.822 382 A HN 0.407 nan 8.150 nan 0.000 0.444 383 T N -0.572 114.018 114.554 0.061 0.000 2.665 383 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 383 T C 1.611 176.344 174.700 0.054 0.000 1.035 383 T CA 1.773 63.911 62.100 0.064 0.000 1.151 383 T CB -0.473 68.441 68.868 0.077 0.000 0.862 383 T HN 0.534 nan 8.240 nan 0.000 0.438 384 F N 2.364 122.275 119.950 -0.065 0.000 2.161 384 F HA -0.114 4.413 4.527 -0.000 0.000 0.300 384 F C 2.331 178.099 175.800 -0.054 0.000 1.089 384 F CA 1.220 59.169 58.000 -0.086 0.000 1.282 384 F CB -0.280 38.656 39.000 -0.107 0.000 1.010 384 F HN -0.032 nan 8.300 nan 0.000 0.485 385 R N 0.111 120.472 120.500 -0.232 0.000 2.083 385 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 385 R C 2.426 178.580 176.300 -0.243 0.000 1.137 385 R CA 1.844 57.763 56.100 -0.302 0.000 0.951 385 R CB -0.450 29.790 30.300 -0.099 0.000 0.851 385 R HN 0.313 nan 8.270 nan 0.000 0.434 386 R N 0.344 120.768 120.500 -0.127 0.000 2.070 386 R HA -0.125 4.215 4.340 -0.000 0.000 0.233 386 R C 2.251 178.495 176.300 -0.093 0.000 1.137 386 R CA 1.203 57.259 56.100 -0.074 0.000 0.945 386 R CB -0.558 29.735 30.300 -0.012 0.000 0.845 386 R HN 0.068 nan 8.270 nan 0.000 0.430 387 L N 1.336 122.493 121.223 -0.109 0.000 2.197 387 L HA -0.196 4.144 4.340 -0.000 0.000 0.215 387 L C 0.816 177.613 176.870 -0.122 0.000 1.095 387 L CA 1.614 56.401 54.840 -0.090 0.000 0.764 387 L CB -0.482 41.528 42.059 -0.081 0.000 0.897 387 L HN 0.131 nan 8.230 nan 0.000 0.436 388 Q N 0.436 120.081 119.800 -0.258 0.000 2.452 388 Q HA 0.506 4.846 4.340 -0.000 0.000 0.230 388 Q C 0.337 176.262 176.000 -0.125 0.000 1.180 388 Q CA 0.404 56.065 55.803 -0.237 0.000 0.914 388 Q CB 0.425 28.908 28.738 -0.424 0.000 1.408 388 Q HN 0.330 nan 8.270 nan 0.000 0.520 389 G N 0.000 108.764 108.800 -0.060 0.000 5.446 389 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 389 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 389 G CA 0.000 45.082 45.100 -0.030 0.000 0.502 389 G HN 0.000 nan 8.290 nan 0.000 0.925