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 3lc0_1_A DATA FIRST_RESID 47 DATA SEQUENCE NMVETEPVQG CRDFPPEAMR CRRHLFDVFH ATAKTFGFEE YDAPVLESEE DATA SEQUENCE LYIRKAGEEI TEQMFNFITK GGHRVALRPE MTPSLARLLL GKGRSLLLPA DATA SEQUENCE KWYSIPQCWR YEAXXXXXRR EHYQWNMDIV GVKSVSAEVE LVCAACWAMR DATA SEQUENCE SLGLSSKDVG IKVNSRKVLQ TVVEQAGVTS DKFAPVCVIV DKMEKIPREE DATA SEQUENCE VEAQLAVLGL EPTVVDAITT TLSLKSIDEI AQRVGEEHEA VKELRQFFEQ DATA SEQUENCE VEAYGYGDWV LFDASVVRGL AYYTGIVFEG FDREGKFRAL CGGGRYDNLL DATA SEQUENCE TTYGSPTPIP CAGFGFGDCV IVELLQEKRL LPDIPHVVDD VVIPFDESMR DATA SEQUENCE PHALAVLRRL RDAGRSADII LDKKKVVQAF NYADRVGAVR AVLVAPEEWE DATA SEQUENCE RGEVQVKMLX XXXXXXXXXX XRGFAVPLDR LV 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 47 N HA 0.000 nan 4.740 nan 0.000 0.220 47 N C 0.000 175.511 175.510 0.002 0.000 1.280 47 N CA 0.000 53.051 53.050 0.002 0.000 0.885 47 N CB 0.000 38.488 38.487 0.002 0.000 1.341 48 M N 1.439 121.040 119.600 0.003 0.000 2.314 48 M HA 0.436 5.055 4.480 0.231 0.000 0.342 48 M C 0.714 177.017 176.300 0.005 0.000 1.171 48 M CA -0.673 54.629 55.300 0.003 0.000 1.098 48 M CB 1.590 34.192 32.600 0.003 0.000 1.559 48 M HN 0.695 nan 8.290 nan 0.000 0.459 49 V N 2.516 122.433 119.914 0.005 0.000 3.139 49 V HA -0.060 4.199 4.120 0.231 0.000 0.307 49 V C 0.230 176.329 176.094 0.008 0.000 1.095 49 V CA 0.092 62.397 62.300 0.007 0.000 1.160 49 V CB 1.004 32.832 31.823 0.008 0.000 1.003 49 V HN 0.859 nan 8.190 nan 0.000 0.489 50 E N 2.682 122.888 120.200 0.011 0.000 2.328 50 E HA 0.078 4.566 4.350 0.231 0.000 0.265 50 E C 0.972 177.580 176.600 0.014 0.000 1.057 50 E CA 0.860 57.267 56.400 0.013 0.000 0.916 50 E CB 0.941 30.651 29.700 0.016 0.000 0.993 50 E HN 0.843 nan 8.360 nan 0.000 0.446 51 T N 1.037 115.597 114.554 0.011 0.000 3.054 51 T HA 0.095 4.584 4.350 0.231 0.000 0.259 51 T C 0.403 175.110 174.700 0.011 0.000 1.092 51 T CA -0.189 61.917 62.100 0.010 0.000 1.121 51 T CB 0.046 68.918 68.868 0.006 0.000 0.912 51 T HN 0.271 nan 8.240 nan 0.000 0.489 52 E N 3.368 123.575 120.200 0.012 0.000 2.383 52 E HA 0.298 4.787 4.350 0.231 0.000 0.264 52 E C -2.068 174.547 176.600 0.025 0.000 1.050 52 E CA -2.111 54.297 56.400 0.013 0.000 0.896 52 E CB 0.443 30.151 29.700 0.014 0.000 0.982 52 E HN 0.353 nan 8.360 nan 0.000 0.424 53 P HA 0.097 nan 4.420 nan 0.000 0.277 53 P C -0.018 177.323 177.300 0.068 0.000 1.271 53 P CA -0.524 62.606 63.100 0.051 0.000 0.795 53 P CB 0.541 32.272 31.700 0.052 0.000 1.101 54 V N 2.059 122.029 119.914 0.094 0.000 2.814 54 V HA -0.132 4.126 4.120 0.231 0.000 0.307 54 V C 2.296 178.473 176.094 0.138 0.000 1.089 54 V CA 0.479 62.851 62.300 0.121 0.000 1.212 54 V CB -0.033 31.880 31.823 0.150 0.000 0.912 54 V HN 0.655 nan 8.190 nan 0.000 0.497 55 Q N 4.083 123.962 119.800 0.133 0.000 1.992 55 Q HA -0.255 4.224 4.340 0.231 0.000 0.216 55 Q C 1.808 177.872 176.000 0.107 0.000 1.047 55 Q CA 2.661 58.529 55.803 0.108 0.000 0.899 55 Q CB -0.795 28.006 28.738 0.105 0.000 1.021 55 Q HN 1.023 nan 8.270 nan 0.000 0.421 56 G N -1.354 107.541 108.800 0.159 0.000 3.383 56 G HA2 0.268 4.367 3.960 0.231 0.000 0.251 56 G HA3 0.268 4.367 3.960 0.231 0.000 0.251 56 G C -0.114 174.852 174.900 0.110 0.000 1.203 56 G CA -0.043 45.132 45.100 0.125 0.000 0.852 56 G HN 0.301 nan 8.290 nan 0.000 0.531 57 C N -0.264 119.106 119.300 0.116 0.000 2.493 57 C HA 0.693 5.291 4.460 0.231 0.000 0.326 57 C C 0.332 175.342 174.990 0.034 0.000 1.200 57 C CA -1.257 57.816 59.018 0.093 0.000 1.739 57 C CB 1.493 29.356 27.740 0.205 0.000 2.300 57 C HN 0.406 nan 8.230 nan 0.000 0.500 58 R N 1.192 121.692 120.500 0.000 0.000 2.474 58 R HA 0.460 4.939 4.340 0.231 0.000 0.295 58 R C -0.988 175.194 176.300 -0.196 0.000 0.980 58 R CA -0.481 55.516 56.100 -0.172 0.000 0.934 58 R CB 0.900 30.978 30.300 -0.369 0.000 1.101 58 R HN 0.664 nan 8.270 nan 0.000 0.469 59 D N 1.609 121.851 120.400 -0.264 0.000 2.264 59 D HA 0.188 4.967 4.640 0.231 0.000 0.249 59 D C -0.615 175.420 176.300 -0.441 0.000 1.070 59 D CA 0.181 54.079 54.000 -0.169 0.000 0.912 59 D CB 0.873 41.627 40.800 -0.077 0.000 1.193 59 D HN 0.310 nan 8.370 nan 0.000 0.427 60 F N 1.984 121.944 119.950 0.017 0.000 2.550 60 F HA 0.245 4.940 4.527 0.280 0.000 0.348 60 F C -1.742 174.045 175.800 -0.022 0.000 1.219 60 F CA -1.563 56.428 58.000 -0.015 0.000 1.203 60 F CB 0.965 39.940 39.000 -0.042 0.000 1.436 60 F HN -0.019 nan 8.300 nan 0.000 0.541 61 P HA 0.164 nan 4.420 nan 0.000 0.274 61 P C -2.214 175.112 177.300 0.043 0.000 1.260 61 P CA -1.184 61.943 63.100 0.045 0.000 0.793 61 P CB 0.600 32.305 31.700 0.007 0.000 1.048 62 P HA -0.194 nan 4.420 nan 0.000 0.216 62 P C 1.631 178.935 177.300 0.006 0.000 1.153 62 P CA 1.638 64.738 63.100 0.000 0.000 0.858 62 P CB -0.032 31.648 31.700 -0.033 0.000 0.789 63 E N -0.527 119.673 120.200 0.001 0.000 2.058 63 E HA -0.223 4.265 4.350 0.231 0.000 0.194 63 E C 1.923 178.527 176.600 0.007 0.000 0.997 63 E CA 1.414 57.813 56.400 -0.002 0.000 0.801 63 E CB -0.523 29.171 29.700 -0.010 0.000 0.746 63 E HN 0.071 nan 8.360 nan 0.000 0.450 64 A N 0.518 123.353 122.820 0.025 0.000 1.969 64 A HA -0.166 4.292 4.320 0.231 0.000 0.218 64 A C 2.051 179.719 177.584 0.140 0.000 1.169 64 A CA 1.518 53.594 52.037 0.065 0.000 0.635 64 A CB -0.455 18.559 19.000 0.023 0.000 0.810 64 A HN 0.361 nan 8.150 nan 0.000 0.445 65 M N 0.038 119.708 119.600 0.116 0.000 2.159 65 M HA -0.088 4.530 4.480 0.231 0.000 0.263 65 M C 2.018 178.270 176.300 -0.079 0.000 1.063 65 M CA 1.434 56.740 55.300 0.010 0.000 1.110 65 M CB -0.467 32.130 32.600 -0.004 0.000 1.374 65 M HN 0.397 nan 8.290 nan 0.000 0.411 66 R N -1.352 119.126 120.500 -0.036 0.000 2.091 66 R HA -0.179 4.299 4.340 0.231 0.000 0.238 66 R C 2.390 178.659 176.300 -0.052 0.000 1.136 66 R CA 1.728 57.803 56.100 -0.042 0.000 0.959 66 R CB -1.266 29.022 30.300 -0.021 0.000 0.856 66 R HN 0.429 nan 8.270 nan 0.000 0.437 67 C N 0.236 119.508 119.300 -0.046 0.000 2.413 67 C HA -0.127 4.472 4.460 0.231 0.000 0.277 67 C C 2.813 177.754 174.990 -0.083 0.000 1.228 67 C CA 0.832 59.825 59.018 -0.043 0.000 1.731 67 C CB -0.876 26.854 27.740 -0.017 0.000 2.042 67 C HN 0.495 nan 8.230 nan 0.000 0.468 68 R N 0.208 120.602 120.500 -0.177 0.000 2.096 68 R HA -0.109 4.369 4.340 0.231 0.000 0.235 68 R C 2.381 178.314 176.300 -0.612 0.000 1.127 68 R CA 1.336 57.146 56.100 -0.483 0.000 0.968 68 R CB -0.254 29.591 30.300 -0.758 0.000 0.861 68 R HN 0.378 nan 8.270 nan 0.000 0.440 69 R N -0.430 119.841 120.500 -0.383 0.000 2.092 69 R HA -0.134 4.344 4.340 0.231 0.000 0.231 69 R C 2.087 178.297 176.300 -0.149 0.000 1.119 69 R CA 1.710 57.657 56.100 -0.256 0.000 0.970 69 R CB -0.814 29.399 30.300 -0.146 0.000 0.864 69 R HN 0.478 nan 8.270 nan 0.000 0.440 70 H N 0.631 119.580 119.070 -0.202 0.000 2.353 70 H HA -0.022 4.672 4.556 0.230 0.000 0.300 70 H C 2.035 177.210 175.328 -0.256 0.000 1.090 70 H CA 1.722 57.660 56.048 -0.182 0.000 1.327 70 H CB -0.204 29.467 29.762 -0.151 0.000 1.383 70 H HN 0.049 nan 8.280 nan 0.000 0.508 71 L N -0.873 120.163 121.223 -0.312 0.000 2.005 71 L HA -0.158 4.321 4.340 0.231 0.000 0.207 71 L C 1.942 178.341 176.870 -0.784 0.000 1.072 71 L CA 1.107 55.613 54.840 -0.556 0.000 0.744 71 L CB -0.318 41.533 42.059 -0.345 0.000 0.895 71 L HN 0.305 nan 8.230 nan 0.000 0.433 72 F N 0.454 119.985 119.950 -0.698 0.000 2.171 72 F HA -0.214 4.403 4.527 0.149 0.000 0.300 72 F C 2.381 177.965 175.800 -0.360 0.000 1.090 72 F CA 0.812 58.490 58.000 -0.536 0.000 1.293 72 F CB -0.967 37.895 39.000 -0.229 0.000 1.013 72 F HN 0.183 nan 8.300 nan 0.000 0.486 73 D N -0.037 120.302 120.400 -0.103 0.000 2.123 73 D HA -0.138 4.640 4.640 0.231 0.000 0.196 73 D C 2.571 178.744 176.300 -0.211 0.000 0.992 73 D CA 1.065 55.017 54.000 -0.079 0.000 0.833 73 D CB -0.495 40.233 40.800 -0.120 0.000 0.954 73 D HN 0.085 nan 8.370 nan 0.000 0.455 74 V N 0.877 120.523 119.914 -0.446 0.000 2.343 74 V HA -0.230 4.029 4.120 0.231 0.000 0.247 74 V C 2.187 177.962 176.094 -0.531 0.000 1.051 74 V CA 1.190 63.191 62.300 -0.499 0.000 1.036 74 V CB -0.519 30.925 31.823 -0.632 0.000 0.654 74 V HN 0.048 nan 8.190 nan 0.000 0.451 75 F N 0.079 119.515 119.950 -0.857 0.000 2.095 75 F HA -0.150 4.504 4.527 0.212 0.000 0.298 75 F C 2.581 177.822 175.800 -0.931 0.000 1.104 75 F CA 1.332 58.430 58.000 -1.503 0.000 1.232 75 F CB -1.480 36.446 39.000 -1.790 0.000 0.987 75 F HN 0.279 nan 8.300 nan 0.000 0.475 76 H N -0.477 118.444 119.070 -0.250 0.000 2.353 76 H HA -0.034 4.647 4.556 0.208 0.000 0.300 76 H C 2.308 177.563 175.328 -0.122 0.000 1.090 76 H CA 1.472 57.452 56.048 -0.112 0.000 1.327 76 H CB -0.656 29.129 29.762 0.039 0.000 1.383 76 H HN 0.243 nan 8.280 nan 0.000 0.508 77 A N 0.408 123.239 122.820 0.018 0.000 1.930 77 A HA -0.123 4.336 4.320 0.231 0.000 0.217 77 A C 2.615 180.287 177.584 0.146 0.000 1.175 77 A CA 1.848 53.927 52.037 0.069 0.000 0.627 77 A CB -0.710 18.311 19.000 0.034 0.000 0.815 77 A HN 0.362 nan 8.150 nan 0.000 0.443 78 T N 0.268 114.874 114.554 0.087 0.000 2.737 78 T HA 0.027 4.515 4.350 0.231 0.000 0.265 78 T C 2.270 177.130 174.700 0.266 0.000 1.038 78 T CA 1.434 63.719 62.100 0.309 0.000 1.144 78 T CB -0.458 68.525 68.868 0.193 0.000 0.866 78 T HN 0.579 nan 8.240 nan 0.000 0.434 79 A N 1.777 124.607 122.820 0.016 0.000 1.892 79 A HA -0.200 4.259 4.320 0.231 0.000 0.218 79 A C 2.224 179.894 177.584 0.144 0.000 1.188 79 A CA 2.161 54.123 52.037 -0.125 0.000 0.631 79 A CB -0.592 17.787 19.000 -1.036 0.000 0.822 79 A HN 0.488 nan 8.150 nan 0.000 0.447 80 K N -1.213 119.262 120.400 0.126 0.000 2.026 80 K HA -0.132 4.327 4.320 0.231 0.000 0.208 80 K C 2.067 178.803 176.600 0.226 0.000 1.048 80 K CA 1.805 58.207 56.287 0.191 0.000 0.929 80 K CB -0.396 32.198 32.500 0.156 0.000 0.713 80 K HN 0.421 nan 8.250 nan 0.000 0.439 81 T N 0.326 115.040 114.554 0.266 0.000 2.759 81 T HA -0.138 4.350 4.350 0.231 0.000 0.269 81 T C 1.180 175.992 174.700 0.187 0.000 1.042 81 T CA 1.441 63.675 62.100 0.223 0.000 1.140 81 T CB -0.212 68.844 68.868 0.314 0.000 0.864 81 T HN 0.217 nan 8.240 nan 0.000 0.455 82 F N 0.245 120.295 119.950 0.166 0.000 2.765 82 F HA 0.342 5.009 4.527 0.233 0.000 0.302 82 F C 1.775 177.787 175.800 0.353 0.000 1.111 82 F CA -0.084 58.064 58.000 0.245 0.000 1.359 82 F CB 0.261 39.428 39.000 0.279 0.000 1.097 82 F HN 0.283 nan 8.300 nan 0.000 0.577 83 G N 0.190 109.235 108.800 0.408 0.000 2.137 83 G HA2 -0.302 3.796 3.960 0.231 0.000 0.237 83 G HA3 -0.302 3.796 3.960 0.231 0.000 0.237 83 G C -0.016 175.058 174.900 0.289 0.000 1.002 83 G CA -0.521 44.742 45.100 0.272 0.000 0.702 83 G HN 0.160 nan 8.290 nan 0.000 0.515 84 F N 1.040 121.125 119.950 0.225 0.000 2.379 84 F HA 0.576 5.241 4.527 0.229 0.000 0.332 84 F C 0.929 176.962 175.800 0.388 0.000 1.096 84 F CA -0.682 57.497 58.000 0.298 0.000 1.105 84 F CB 1.005 40.170 39.000 0.275 0.000 1.189 84 F HN 0.132 nan 8.300 nan 0.000 0.515 85 E N 0.895 121.419 120.200 0.541 0.000 2.183 85 E HA 0.229 4.717 4.350 0.231 0.000 0.271 85 E C -0.942 175.826 176.600 0.281 0.000 0.919 85 E CA -0.902 55.707 56.400 0.349 0.000 0.781 85 E CB 1.957 31.701 29.700 0.074 0.000 1.140 85 E HN 0.524 nan 8.360 nan 0.000 0.402 86 E N 2.397 122.640 120.200 0.072 0.000 2.373 86 E HA 0.156 4.644 4.350 0.231 0.000 0.267 86 E C -1.243 175.209 176.600 -0.246 0.000 1.032 86 E CA -0.103 56.041 56.400 -0.427 0.000 0.889 86 E CB 0.524 29.976 29.700 -0.413 0.000 0.984 86 E HN 0.455 nan 8.360 nan 0.000 0.425 87 Y N 0.829 120.891 120.300 -0.396 0.000 2.715 87 Y HA 0.709 5.414 4.550 0.259 0.000 0.331 87 Y C -1.117 174.681 175.900 -0.171 0.000 1.197 87 Y CA -1.188 56.727 58.100 -0.309 0.000 1.079 87 Y CB 1.624 39.846 38.460 -0.397 0.000 1.298 87 Y HN 0.377 nan 8.280 nan 0.000 0.477 88 D N -0.129 120.216 120.400 -0.091 0.000 2.622 88 D HA 0.767 5.545 4.640 0.231 0.000 0.255 88 D C -1.637 174.726 176.300 0.104 0.000 1.246 88 D CA -0.005 53.932 54.000 -0.104 0.000 0.795 88 D CB 2.441 43.188 40.800 -0.089 0.000 1.369 88 D HN 1.119 nan 8.370 nan 0.000 0.425 89 A N 0.873 123.748 122.820 0.090 0.000 2.588 89 A HA 0.801 5.260 4.320 0.231 0.000 0.290 89 A C -2.801 174.836 177.584 0.088 0.000 1.136 89 A CA -1.113 50.996 52.037 0.120 0.000 0.681 89 A CB 1.071 20.181 19.000 0.183 0.000 1.282 89 A HN 0.409 nan 8.150 nan 0.000 0.421 90 P HA 0.278 nan 4.420 nan 0.000 0.275 90 P C 0.827 178.177 177.300 0.082 0.000 1.227 90 P CA -0.266 62.876 63.100 0.068 0.000 0.781 90 P CB 1.142 32.873 31.700 0.052 0.000 0.906 91 V N 3.134 123.093 119.914 0.075 0.000 2.594 91 V HA -0.110 4.149 4.120 0.231 0.000 0.253 91 V C 0.822 176.946 176.094 0.050 0.000 1.069 91 V CA 1.295 63.647 62.300 0.085 0.000 1.082 91 V CB -0.534 31.341 31.823 0.086 0.000 0.680 91 V HN 0.323 nan 8.190 nan 0.000 0.469 92 L N 1.831 123.072 121.223 0.030 0.000 2.278 92 L HA 0.470 4.948 4.340 0.231 0.000 0.287 92 L C -0.062 176.832 176.870 0.040 0.000 1.072 92 L CA 0.424 55.273 54.840 0.014 0.000 0.819 92 L CB 0.613 42.676 42.059 0.006 0.000 1.176 92 L HN 0.254 nan 8.230 nan 0.000 0.435 93 E N 1.911 122.155 120.200 0.074 0.000 2.336 93 E HA 0.265 4.753 4.350 0.231 0.000 0.267 93 E C -0.885 175.754 176.600 0.064 0.000 0.906 93 E CA -0.661 55.796 56.400 0.095 0.000 0.781 93 E CB 2.077 31.905 29.700 0.213 0.000 1.261 93 E HN 0.449 nan 8.360 nan 0.000 0.436 94 S N 0.635 116.330 115.700 -0.007 0.000 2.546 94 S HA -0.071 4.537 4.470 0.231 0.000 0.290 94 S C 1.131 175.749 174.600 0.031 0.000 1.290 94 S CA 0.199 58.378 58.200 -0.035 0.000 1.069 94 S CB 0.399 63.527 63.200 -0.120 0.000 0.846 94 S HN 0.555 nan 8.310 nan 0.000 0.495 95 E N 3.341 123.584 120.200 0.073 0.000 2.204 95 E HA -0.155 4.334 4.350 0.231 0.000 0.195 95 E C 2.142 178.813 176.600 0.119 0.000 0.990 95 E CA 1.318 57.819 56.400 0.168 0.000 0.821 95 E CB -0.175 29.584 29.700 0.098 0.000 0.750 95 E HN 0.936 nan 8.360 nan 0.000 0.477 96 E N 0.716 120.911 120.200 -0.009 0.000 2.204 96 E HA -0.177 4.311 4.350 0.231 0.000 0.195 96 E C 1.800 178.294 176.600 -0.176 0.000 0.990 96 E CA 1.095 57.450 56.400 -0.075 0.000 0.821 96 E CB -0.767 28.858 29.700 -0.125 0.000 0.750 96 E HN 0.177 nan 8.360 nan 0.000 0.477 97 L N -0.553 120.483 121.223 -0.313 0.000 2.187 97 L HA -0.077 4.402 4.340 0.231 0.000 0.213 97 L C 1.240 177.779 176.870 -0.552 0.000 1.100 97 L CA 1.506 56.001 54.840 -0.576 0.000 0.765 97 L CB -0.376 41.205 42.059 -0.797 0.000 0.904 97 L HN 0.533 nan 8.230 nan 0.000 0.437 98 Y N -1.513 118.788 120.300 0.001 0.000 2.658 98 Y HA 0.344 5.030 4.550 0.227 0.000 0.276 98 Y C 0.446 176.372 175.900 0.043 0.000 1.167 98 Y CA -0.792 57.337 58.100 0.049 0.000 1.230 98 Y CB -0.296 38.199 38.460 0.058 0.000 1.144 98 Y HN -0.085 nan 8.280 nan 0.000 0.529 99 I N 1.514 122.147 120.570 0.104 0.000 2.291 99 I HA 0.188 4.496 4.170 0.231 0.000 0.292 99 I C 0.830 176.995 176.117 0.079 0.000 1.064 99 I CA 0.299 61.648 61.300 0.082 0.000 1.269 99 I CB 0.935 38.960 38.000 0.042 0.000 1.418 99 I HN 0.299 nan 8.210 nan 0.000 0.485 100 R N 3.626 124.178 120.500 0.087 0.000 2.453 100 R HA 0.188 4.666 4.340 0.231 0.000 0.233 100 R C 0.212 176.543 176.300 0.052 0.000 0.895 100 R CA -0.233 55.915 56.100 0.080 0.000 1.028 100 R CB 0.414 30.771 30.300 0.095 0.000 1.255 100 R HN 0.420 nan 8.270 nan 0.000 0.571 101 K N -0.326 120.099 120.400 0.042 0.000 3.117 101 K HA -0.194 4.265 4.320 0.231 0.000 0.269 101 K C 0.149 176.759 176.600 0.018 0.000 1.098 101 K CA 0.522 56.826 56.287 0.029 0.000 0.785 101 K CB -1.234 31.284 32.500 0.031 0.000 1.242 101 K HN 0.336 nan 8.250 nan 0.000 0.491 102 A N -0.186 122.639 122.820 0.007 0.000 2.545 102 A HA 0.530 4.988 4.320 0.231 0.000 0.263 102 A C 1.310 178.880 177.584 -0.025 0.000 1.202 102 A CA 0.759 52.788 52.037 -0.014 0.000 0.959 102 A CB 0.501 19.481 19.000 -0.033 0.000 1.124 102 A HN 0.897 nan 8.150 nan 0.000 0.543 103 G N 0.336 109.129 108.800 -0.012 0.000 2.198 103 G HA2 -0.260 3.839 3.960 0.231 0.000 0.260 103 G HA3 -0.260 3.839 3.960 0.231 0.000 0.260 103 G C -0.174 174.712 174.900 -0.023 0.000 1.025 103 G CA 0.457 45.548 45.100 -0.014 0.000 0.769 103 G HN 0.666 nan 8.290 nan 0.000 0.507 104 E N -0.115 120.069 120.200 -0.027 0.000 2.384 104 E HA 0.243 4.732 4.350 0.231 0.000 0.266 104 E C 1.246 177.834 176.600 -0.019 0.000 1.012 104 E CA -0.107 56.269 56.400 -0.040 0.000 0.901 104 E CB 0.751 30.419 29.700 -0.054 0.000 0.967 104 E HN 0.471 nan 8.360 nan 0.000 0.435 105 E N 1.867 122.053 120.200 -0.023 0.000 2.085 105 E HA -0.229 4.260 4.350 0.231 0.000 0.194 105 E C 1.846 178.450 176.600 0.006 0.000 0.994 105 E CA 0.821 57.216 56.400 -0.009 0.000 0.801 105 E CB -0.008 29.683 29.700 -0.015 0.000 0.743 105 E HN 0.529 nan 8.360 nan 0.000 0.453 106 I N 1.062 121.633 120.570 0.002 0.000 2.264 106 I HA -0.284 4.024 4.170 0.231 0.000 0.248 106 I C 2.514 178.648 176.117 0.028 0.000 1.111 106 I CA 1.918 63.230 61.300 0.021 0.000 1.382 106 I CB -0.152 37.859 38.000 0.019 0.000 1.060 106 I HN 0.171 nan 8.210 nan 0.000 0.418 107 T N -3.561 111.012 114.554 0.032 0.000 2.976 107 T HA 0.008 4.497 4.350 0.231 0.000 0.257 107 T C 1.746 176.471 174.700 0.042 0.000 1.051 107 T CA 0.681 62.810 62.100 0.048 0.000 1.141 107 T CB -0.478 68.438 68.868 0.079 0.000 0.881 107 T HN 0.389 nan 8.240 nan 0.000 0.461 108 E N 1.583 121.804 120.200 0.034 0.000 2.118 108 E HA -0.107 4.382 4.350 0.231 0.000 0.195 108 E C 1.493 178.123 176.600 0.050 0.000 0.992 108 E CA 0.968 57.389 56.400 0.035 0.000 0.804 108 E CB -0.124 29.590 29.700 0.023 0.000 0.741 108 E HN 0.638 nan 8.360 nan 0.000 0.458 109 Q N 0.204 120.037 119.800 0.056 0.000 2.399 109 Q HA 0.203 4.682 4.340 0.231 0.000 0.307 109 Q C -0.351 175.723 176.000 0.124 0.000 0.933 109 Q CA -0.276 55.578 55.803 0.086 0.000 0.995 109 Q CB 0.296 29.074 28.738 0.067 0.000 1.191 109 Q HN 0.212 nan 8.270 nan 0.000 0.426 110 M N 0.759 120.416 119.600 0.095 0.000 2.200 110 M HA 0.123 4.742 4.480 0.231 0.000 0.355 110 M C -0.396 175.997 176.300 0.154 0.000 1.283 110 M CA -0.013 55.343 55.300 0.093 0.000 1.124 110 M CB 0.447 33.063 32.600 0.028 0.000 1.625 110 M HN 0.288 nan 8.290 nan 0.000 0.463 111 F N 6.413 126.426 119.950 0.105 0.000 2.605 111 F HA 0.120 4.794 4.527 0.244 0.000 0.352 111 F C 0.401 176.235 175.800 0.057 0.000 1.236 111 F CA -0.891 57.177 58.000 0.113 0.000 1.267 111 F CB -0.212 38.914 39.000 0.210 0.000 1.632 111 F HN 0.564 nan 8.300 nan 0.000 0.639 112 N N 4.068 122.901 118.700 0.221 0.000 2.459 112 N HA 0.590 5.468 4.740 0.231 0.000 0.288 112 N C -1.020 174.649 175.510 0.265 0.000 1.186 112 N CA -0.484 52.662 53.050 0.160 0.000 0.917 112 N CB 1.926 40.434 38.487 0.034 0.000 1.219 112 N HN 0.364 nan 8.380 nan 0.000 0.525 113 F N -2.926 117.037 119.950 0.021 0.000 2.773 113 F HA 0.617 5.279 4.527 0.224 0.000 0.314 113 F C -1.580 174.217 175.800 -0.006 0.000 1.160 113 F CA -1.397 56.599 58.000 -0.006 0.000 0.920 113 F CB 0.935 39.936 39.000 0.002 0.000 1.323 113 F HN 0.263 nan 8.300 nan 0.000 0.457 114 I N 1.905 122.549 120.570 0.124 0.000 2.385 114 I HA 0.293 4.601 4.170 0.231 0.000 0.294 114 I C 1.157 177.364 176.117 0.149 0.000 0.988 114 I CA -0.231 61.078 61.300 0.015 0.000 1.265 114 I CB 2.145 40.148 38.000 0.005 0.000 1.388 114 I HN 0.970 nan 8.210 nan 0.000 0.480 115 T N 2.629 117.209 114.554 0.044 0.000 2.623 115 T HA 0.096 4.585 4.350 0.231 0.000 0.254 115 T C 1.035 175.787 174.700 0.086 0.000 1.075 115 T CA 1.243 63.418 62.100 0.125 0.000 1.177 115 T CB 0.208 69.112 68.868 0.060 0.000 0.869 115 T HN 0.778 nan 8.240 nan 0.000 0.403 116 K N -0.833 119.587 120.400 0.033 0.000 8.069 116 K HA 0.141 4.599 4.320 0.231 0.000 0.190 116 K C 0.458 177.062 176.600 0.006 0.000 1.602 116 K CA 0.258 56.556 56.287 0.018 0.000 0.929 116 K CB -1.059 31.458 32.500 0.028 0.000 0.371 116 K HN 0.430 nan 8.250 nan 0.000 0.418 117 G N 0.678 109.487 108.800 0.015 0.000 2.444 117 G HA2 0.499 4.598 3.960 0.231 0.000 0.303 117 G HA3 0.499 4.598 3.960 0.231 0.000 0.303 117 G C 0.313 175.227 174.900 0.024 0.000 1.032 117 G CA 0.851 45.961 45.100 0.016 0.000 1.137 117 G HN 0.726 nan 8.290 nan 0.000 0.430 118 G N 1.339 110.157 108.800 0.030 0.000 2.060 118 G HA2 0.161 4.259 3.960 0.231 0.000 0.060 118 G HA3 0.161 4.259 3.960 0.231 0.000 0.060 118 G C -0.531 174.438 174.900 0.115 0.000 0.724 118 G CA 0.027 45.157 45.100 0.051 0.000 1.129 118 G HN 0.833 nan 8.290 nan 0.000 0.374 119 H N -0.238 118.801 119.070 -0.051 0.000 3.075 119 H HA 0.391 5.085 4.556 0.230 0.000 0.263 119 H C -0.525 174.748 175.328 -0.092 0.000 1.549 119 H CA -0.700 55.312 56.048 -0.059 0.000 1.192 119 H CB 0.854 30.581 29.762 -0.058 0.000 1.898 119 H HN 0.401 nan 8.280 nan 0.000 0.696 120 R N 1.817 122.318 120.500 0.002 0.000 2.296 120 R HA 0.324 4.802 4.340 0.231 0.000 0.323 120 R C -0.096 176.181 176.300 -0.037 0.000 1.067 120 R CA -0.223 55.857 56.100 -0.033 0.000 0.946 120 R CB 0.658 30.962 30.300 0.007 0.000 0.991 120 R HN 0.298 nan 8.270 nan 0.000 0.448 121 V N -0.967 118.799 119.914 -0.246 0.000 3.113 121 V HA 0.988 5.246 4.120 0.231 0.000 0.316 121 V C -0.422 175.473 176.094 -0.332 0.000 1.125 121 V CA -1.142 60.983 62.300 -0.292 0.000 1.026 121 V CB 2.048 33.621 31.823 -0.418 0.000 1.080 121 V HN 0.802 nan 8.190 nan 0.000 0.444 122 A N 1.798 124.520 122.820 -0.163 0.000 2.515 122 A HA 0.803 5.261 4.320 0.231 0.000 0.298 122 A C -0.861 176.702 177.584 -0.035 0.000 1.059 122 A CA -0.860 51.136 52.037 -0.068 0.000 0.698 122 A CB 1.486 20.478 19.000 -0.012 0.000 1.289 122 A HN 1.045 nan 8.150 nan 0.000 0.404 123 L N 2.886 124.099 121.223 -0.017 0.000 2.418 123 L HA 0.243 4.721 4.340 0.231 0.000 0.274 123 L C 1.253 178.141 176.870 0.030 0.000 1.135 123 L CA -0.352 54.419 54.840 -0.115 0.000 0.870 123 L CB 0.319 42.047 42.059 -0.551 0.000 1.154 123 L HN 0.881 nan 8.230 nan 0.000 0.462 124 R N 5.111 125.663 120.500 0.086 0.000 2.537 124 R HA 0.029 4.508 4.340 0.231 0.000 0.281 124 R C -2.048 174.288 176.300 0.060 0.000 0.988 124 R CA -0.901 55.234 56.100 0.058 0.000 1.077 124 R CB 0.093 30.516 30.300 0.205 0.000 0.932 124 R HN 0.382 nan 8.270 nan 0.000 0.409 125 P HA -0.050 nan 4.420 nan 0.000 0.245 125 P C -0.789 176.560 177.300 0.081 0.000 1.203 125 P CA 0.800 63.904 63.100 0.007 0.000 0.792 125 P CB 0.344 31.983 31.700 -0.101 0.000 0.997 126 E N -2.976 117.288 120.200 0.106 0.000 2.439 126 E HA 0.410 4.898 4.350 0.231 0.000 0.279 126 E C -0.004 176.720 176.600 0.207 0.000 1.077 126 E CA -0.848 55.649 56.400 0.162 0.000 0.849 126 E CB 0.070 29.881 29.700 0.186 0.000 1.408 126 E HN -0.344 nan 8.360 nan 0.000 0.457 127 M N 0.244 119.944 119.600 0.168 0.000 2.514 127 M HA 0.161 4.779 4.480 0.231 0.000 0.258 127 M C 1.341 177.743 176.300 0.169 0.000 1.159 127 M CA 1.369 56.776 55.300 0.178 0.000 1.116 127 M CB 0.063 32.750 32.600 0.145 0.000 1.333 127 M HN 0.723 nan 8.290 nan 0.000 0.487 128 T N 1.262 115.873 114.554 0.096 0.000 2.720 128 T HA -0.078 4.410 4.350 0.231 0.000 0.268 128 T C -0.941 173.723 174.700 -0.059 0.000 1.037 128 T CA 1.691 63.755 62.100 -0.060 0.000 1.144 128 T CB -1.421 67.249 68.868 -0.330 0.000 0.864 128 T HN 0.274 nan 8.240 nan 0.000 0.444 129 P HA -0.003 nan 4.420 nan 0.000 0.216 129 P C 1.760 179.130 177.300 0.116 0.000 1.150 129 P CA 0.994 64.154 63.100 0.101 0.000 0.837 129 P CB -0.129 31.562 31.700 -0.016 0.000 0.786 130 S N -0.404 115.367 115.700 0.118 0.000 2.356 130 S HA -0.155 4.453 4.470 0.231 0.000 0.223 130 S C 1.780 176.471 174.600 0.152 0.000 1.032 130 S CA 1.096 59.380 58.200 0.140 0.000 1.005 130 S CB -1.232 62.087 63.200 0.199 0.000 0.867 130 S HN 0.075 nan 8.310 nan 0.000 0.449 131 L N 2.174 123.490 121.223 0.156 0.000 1.989 131 L HA -0.100 4.378 4.340 0.231 0.000 0.211 131 L C 2.345 179.194 176.870 -0.036 0.000 1.071 131 L CA 2.182 57.051 54.840 0.049 0.000 0.749 131 L CB -1.122 40.961 42.059 0.039 0.000 0.890 131 L HN 0.239 nan 8.230 nan 0.000 0.431 132 A N -0.462 122.345 122.820 -0.022 0.000 1.940 132 A HA -0.271 4.188 4.320 0.231 0.000 0.219 132 A C 2.545 180.168 177.584 0.065 0.000 1.176 132 A CA 1.916 53.928 52.037 -0.042 0.000 0.631 132 A CB -0.724 18.175 19.000 -0.168 0.000 0.814 132 A HN 0.563 nan 8.150 nan 0.000 0.446 133 R N -1.018 119.556 120.500 0.123 0.000 2.083 133 R HA -0.136 4.343 4.340 0.231 0.000 0.237 133 R C 1.889 178.221 176.300 0.053 0.000 1.137 133 R CA 1.642 57.789 56.100 0.078 0.000 0.951 133 R CB -0.380 29.941 30.300 0.034 0.000 0.851 133 R HN 0.399 nan 8.270 nan 0.000 0.434 134 L N 0.749 122.016 121.223 0.072 0.000 2.046 134 L HA -0.152 4.327 4.340 0.231 0.000 0.208 134 L C 2.239 179.149 176.870 0.067 0.000 1.077 134 L CA 1.518 56.426 54.840 0.114 0.000 0.747 134 L CB -0.536 41.658 42.059 0.226 0.000 0.896 134 L HN 0.233 nan 8.230 nan 0.000 0.432 135 L N -1.518 119.662 121.223 -0.072 0.000 2.017 135 L HA -0.253 4.225 4.340 0.231 0.000 0.208 135 L C 2.420 179.237 176.870 -0.088 0.000 1.073 135 L CA 1.225 55.949 54.840 -0.194 0.000 0.745 135 L CB -0.631 41.225 42.059 -0.339 0.000 0.894 135 L HN 0.238 nan 8.230 nan 0.000 0.432 136 L N -0.473 120.724 121.223 -0.044 0.000 2.093 136 L HA -0.113 4.365 4.340 0.231 0.000 0.208 136 L C 2.636 179.505 176.870 -0.002 0.000 1.085 136 L CA 1.265 56.094 54.840 -0.017 0.000 0.755 136 L CB -1.072 40.996 42.059 0.015 0.000 0.904 136 L HN 0.337 nan 8.230 nan 0.000 0.435 137 G N -0.291 108.518 108.800 0.015 0.000 2.421 137 G HA2 -0.176 3.923 3.960 0.231 0.000 0.217 137 G HA3 -0.176 3.923 3.960 0.231 0.000 0.217 137 G C 0.813 175.732 174.900 0.032 0.000 1.143 137 G CA -0.121 44.992 45.100 0.023 0.000 0.784 137 G HN 0.123 nan 8.290 nan 0.000 0.541 138 K N 0.990 121.419 120.400 0.048 0.000 2.448 138 K HA 0.399 4.857 4.320 0.231 0.000 0.278 138 K C 1.184 177.796 176.600 0.020 0.000 1.009 138 K CA 0.461 56.781 56.287 0.055 0.000 0.995 138 K CB 0.790 33.343 32.500 0.090 0.000 0.917 138 K HN 0.104 nan 8.250 nan 0.000 0.481 139 G N 1.651 110.462 108.800 0.018 0.000 2.783 139 G HA2 0.165 4.264 3.960 0.231 0.000 0.182 139 G HA3 0.165 4.264 3.960 0.231 0.000 0.182 139 G C 0.897 175.794 174.900 -0.005 0.000 1.516 139 G CA 0.318 45.421 45.100 0.004 0.000 1.079 139 G HN 0.653 nan 8.290 nan 0.000 0.573 140 R N -0.244 120.252 120.500 -0.007 0.000 2.293 140 R HA 0.018 4.496 4.340 0.231 0.000 0.219 140 R C 2.596 178.893 176.300 -0.005 0.000 1.091 140 R CA 2.075 58.168 56.100 -0.011 0.000 1.004 140 R CB -1.444 28.850 30.300 -0.009 0.000 0.865 140 R HN 0.893 nan 8.270 nan 0.000 0.469 141 S N -0.288 115.415 115.700 0.006 0.000 2.603 141 S HA 0.088 4.697 4.470 0.231 0.000 0.229 141 S C 0.794 175.411 174.600 0.029 0.000 0.972 141 S CA 0.224 58.434 58.200 0.018 0.000 0.935 141 S CB -0.447 62.767 63.200 0.025 0.000 0.769 141 S HN 0.476 nan 8.310 nan 0.000 0.536 142 L N 2.795 124.027 121.223 0.016 0.000 2.369 142 L HA 0.433 4.912 4.340 0.231 0.000 0.279 142 L C -0.609 176.256 176.870 -0.008 0.000 1.108 142 L CA -0.241 54.607 54.840 0.013 0.000 0.852 142 L CB 0.161 42.194 42.059 -0.043 0.000 1.169 142 L HN 0.269 nan 8.230 nan 0.000 0.452 143 L N 6.620 127.853 121.223 0.017 0.000 2.292 143 L HA 0.438 4.916 4.340 0.231 0.000 0.284 143 L C -0.375 176.478 176.870 -0.028 0.000 1.065 143 L CA -0.355 54.484 54.840 -0.000 0.000 0.806 143 L CB 0.922 42.993 42.059 0.021 0.000 1.175 143 L HN 0.547 nan 8.230 nan 0.000 0.431 144 L N 4.092 125.285 121.223 -0.050 0.000 2.342 144 L HA 0.593 5.071 4.340 0.231 0.000 0.271 144 L C -1.834 175.000 176.870 -0.060 0.000 1.008 144 L CA -1.878 52.915 54.840 -0.079 0.000 0.818 144 L CB 1.689 43.689 42.059 -0.099 0.000 1.296 144 L HN 0.480 nan 8.230 nan 0.000 0.427 145 P HA 0.400 nan 4.420 nan 0.000 0.274 145 P C -1.207 176.029 177.300 -0.107 0.000 1.231 145 P CA -0.412 62.627 63.100 -0.102 0.000 0.790 145 P CB 1.331 32.974 31.700 -0.095 0.000 0.951 146 A N 2.096 124.814 122.820 -0.170 0.000 2.365 146 A HA 0.606 5.064 4.320 0.231 0.000 0.318 146 A C -0.502 176.955 177.584 -0.211 0.000 1.091 146 A CA -0.733 51.209 52.037 -0.157 0.000 0.763 146 A CB 1.242 20.039 19.000 -0.340 0.000 1.248 146 A HN 0.504 nan 8.150 nan 0.000 0.442 147 K N 1.951 122.292 120.400 -0.098 0.000 2.572 147 K HA 0.342 4.800 4.320 0.231 0.000 0.244 147 K C -1.989 174.709 176.600 0.163 0.000 0.965 147 K CA -0.165 55.886 56.287 -0.394 0.000 0.943 147 K CB 1.404 33.262 32.500 -1.069 0.000 1.154 147 K HN 0.638 nan 8.250 nan 0.000 0.447 148 W N 2.901 124.260 121.300 0.098 0.000 2.736 148 W HA 0.348 5.149 4.660 0.234 0.000 0.335 148 W C -0.267 176.646 176.519 0.657 0.000 1.059 148 W CA -1.097 56.447 57.345 0.333 0.000 1.226 148 W CB 0.907 30.378 29.460 0.019 0.000 1.416 148 W HN 0.440 nan 8.180 nan 0.000 0.505 149 Y N -0.031 120.695 120.300 0.711 0.000 2.581 149 Y HA 0.830 5.523 4.550 0.238 0.000 0.345 149 Y C -0.570 175.367 175.900 0.062 0.000 1.036 149 Y CA -1.580 56.749 58.100 0.381 0.000 1.042 149 Y CB 1.719 40.336 38.460 0.262 0.000 1.289 149 Y HN 0.362 nan 8.280 nan 0.000 0.471 150 S N 1.406 116.964 115.700 -0.236 0.000 2.596 150 S HA 0.702 5.310 4.470 0.231 0.000 0.270 150 S C -1.433 173.075 174.600 -0.154 0.000 1.155 150 S CA -0.950 56.922 58.200 -0.547 0.000 0.827 150 S CB 1.379 64.014 63.200 -0.941 0.000 1.130 150 S HN 0.778 nan 8.310 nan 0.000 0.467 151 I N 1.574 122.030 120.570 -0.192 0.000 2.954 151 I HA 0.323 4.632 4.170 0.231 0.000 0.312 151 I C -2.583 173.511 176.117 -0.040 0.000 1.391 151 I CA -1.805 59.398 61.300 -0.161 0.000 0.906 151 I CB 1.163 38.894 38.000 -0.448 0.000 2.079 151 I HN 0.403 nan 8.210 nan 0.000 0.618 152 P HA 0.064 nan 4.420 nan 0.000 0.275 152 P C -0.631 176.635 177.300 -0.057 0.000 1.228 152 P CA -0.219 62.883 63.100 0.003 0.000 0.786 152 P CB 1.038 32.724 31.700 -0.023 0.000 0.927 153 Q N 1.210 120.892 119.800 -0.195 0.000 2.313 153 Q HA 0.258 4.736 4.340 0.231 0.000 0.266 153 Q C -1.015 174.798 176.000 -0.311 0.000 0.989 153 Q CA -0.008 55.412 55.803 -0.637 0.000 0.890 153 Q CB 0.268 28.549 28.738 -0.762 0.000 1.200 153 Q HN 0.490 nan 8.270 nan 0.000 0.396 154 C N 3.819 122.830 119.300 -0.482 0.000 2.667 154 C HA 0.629 5.227 4.460 0.231 0.000 0.323 154 C C -1.201 173.599 174.990 -0.317 0.000 1.214 154 C CA -0.734 58.162 59.018 -0.203 0.000 1.721 154 C CB 0.615 28.259 27.740 -0.161 0.000 2.275 154 C HN 0.923 nan 8.230 nan 0.000 0.491 155 W N 1.473 122.795 121.300 0.036 0.000 2.844 155 W HA 0.747 5.523 4.660 0.193 0.000 0.340 155 W C 0.066 176.708 176.519 0.205 0.000 1.093 155 W CA -0.479 56.935 57.345 0.114 0.000 1.212 155 W CB 0.984 30.460 29.460 0.027 0.000 1.422 155 W HN 0.666 nan 8.180 nan 0.000 0.515 156 R N 1.215 122.017 120.500 0.504 0.000 2.855 156 R HA 0.742 5.221 4.340 0.231 0.000 0.266 156 R C -2.185 174.399 176.300 0.473 0.000 1.034 156 R CA -1.042 55.295 56.100 0.396 0.000 0.944 156 R CB 2.457 32.881 30.300 0.206 0.000 1.219 156 R HN 0.583 nan 8.270 nan 0.000 0.474 157 Y N 0.267 120.632 120.300 0.109 0.000 2.421 157 Y HA 0.442 5.129 4.550 0.228 0.000 0.339 157 Y C -1.458 174.406 175.900 -0.061 0.000 0.996 157 Y CA -0.476 57.568 58.100 -0.093 0.000 1.046 157 Y CB 2.489 40.687 38.460 -0.435 0.000 1.226 157 Y HN 0.799 nan 8.280 nan 0.000 0.445 158 E N 3.519 123.353 120.200 -0.609 0.000 2.367 158 E HA 0.738 5.227 4.350 0.231 0.000 0.273 158 E C -1.056 175.139 176.600 -0.676 0.000 0.903 158 E CA -1.251 54.888 56.400 -0.435 0.000 0.764 158 E CB 2.106 31.682 29.700 -0.206 0.000 1.252 158 E HN 0.769 nan 8.360 nan 0.000 0.446 166 R N 0.499 121.056 120.500 0.096 0.000 2.362 166 R HA 0.087 4.566 4.340 0.231 0.000 0.227 166 R C 0.303 176.647 176.300 0.073 0.000 0.905 166 R CA 0.133 56.365 56.100 0.220 0.000 1.067 166 R CB 0.802 31.380 30.300 0.463 0.000 1.078 166 R HN 0.373 nan 8.270 nan 0.000 0.516 167 E N 1.473 121.563 120.200 -0.183 0.000 2.278 167 E HA 0.106 4.594 4.350 0.231 0.000 0.272 167 E C -1.724 174.735 176.600 -0.235 0.000 0.890 167 E CA -0.594 55.411 56.400 -0.658 0.000 0.770 167 E CB 1.367 30.486 29.700 -0.969 0.000 1.212 167 E HN 0.225 nan 8.360 nan 0.000 0.415 168 H N 2.465 121.299 119.070 -0.393 0.000 3.012 168 H HA 0.377 5.081 4.556 0.246 0.000 0.367 168 H C -1.579 173.640 175.328 -0.182 0.000 1.211 168 H CA -0.592 55.376 56.048 -0.133 0.000 1.139 168 H CB 0.313 30.086 29.762 0.018 0.000 1.838 168 H HN 0.370 nan 8.280 nan 0.000 0.550 169 Y N 0.877 121.179 120.300 0.003 0.000 2.301 169 Y HA 0.297 4.896 4.550 0.082 0.000 0.325 169 Y C 0.761 176.641 175.900 -0.032 0.000 1.203 169 Y CA -0.037 58.058 58.100 -0.008 0.000 1.255 169 Y CB 1.359 40.011 38.460 0.320 0.000 1.232 169 Y HN 0.557 nan 8.280 nan 0.000 0.501 170 Q N 3.394 123.213 119.800 0.032 0.000 2.295 170 Q HA 0.135 4.614 4.340 0.231 0.000 0.259 170 Q C -1.731 174.299 176.000 0.050 0.000 0.966 170 Q CA -0.850 55.001 55.803 0.080 0.000 0.763 170 Q CB 0.917 29.647 28.738 -0.014 0.000 1.283 170 Q HN 0.795 nan 8.270 nan 0.000 0.445 171 W N 5.233 126.349 121.300 -0.308 0.000 2.308 171 W HA 0.192 4.984 4.660 0.220 0.000 0.324 171 W C -0.923 175.448 176.519 -0.246 0.000 1.387 171 W CA 0.094 57.118 57.345 -0.535 0.000 1.250 171 W CB 0.366 28.997 29.460 -1.382 0.000 1.257 171 W HN 0.512 nan 8.180 nan 0.000 0.554 172 N N 6.709 125.248 118.700 -0.268 0.000 2.321 172 N HA 0.397 5.276 4.740 0.231 0.000 0.299 172 N C -0.809 174.363 175.510 -0.564 0.000 1.048 172 N CA -0.637 52.193 53.050 -0.367 0.000 0.836 172 N CB 1.531 39.977 38.487 -0.068 0.000 1.269 172 N HN 0.183 nan 8.380 nan 0.000 0.486 173 M N 2.036 121.109 119.600 -0.880 0.000 2.263 173 M HA 0.362 4.981 4.480 0.231 0.000 0.295 173 M C -1.545 174.602 176.300 -0.255 0.000 1.028 173 M CA -0.411 54.445 55.300 -0.741 0.000 0.921 173 M CB 1.577 33.152 32.600 -1.707 0.000 1.601 173 M HN 0.434 nan 8.290 nan 0.000 0.440 174 D N 2.568 123.110 120.400 0.237 0.000 2.857 174 D HA 0.619 5.397 4.640 0.231 0.000 0.227 174 D C -0.973 175.461 176.300 0.223 0.000 1.192 174 D CA -0.326 53.808 54.000 0.224 0.000 0.857 174 D CB 2.667 43.574 40.800 0.178 0.000 1.645 174 D HN 0.428 nan 8.370 nan 0.000 0.482 175 I N 1.913 122.547 120.570 0.106 0.000 2.406 175 I HA 0.452 4.760 4.170 0.231 0.000 0.290 175 I C -0.836 175.194 176.117 -0.146 0.000 0.999 175 I CA -0.954 60.318 61.300 -0.046 0.000 1.124 175 I CB 1.682 39.691 38.000 0.015 0.000 1.289 175 I HN 0.041 nan 8.210 nan 0.000 0.441 176 V N 4.712 124.488 119.914 -0.229 0.000 2.487 176 V HA 0.660 4.919 4.120 0.231 0.000 0.298 176 V C 0.698 176.657 176.094 -0.226 0.000 1.028 176 V CA -0.174 61.957 62.300 -0.281 0.000 0.860 176 V CB 1.246 32.825 31.823 -0.406 0.000 0.991 176 V HN 1.072 nan 8.190 nan 0.000 0.427 177 G N 3.914 112.595 108.800 -0.198 0.000 2.144 177 G HA2 -0.158 3.941 3.960 0.231 0.000 0.218 177 G HA3 -0.158 3.941 3.960 0.231 0.000 0.218 177 G C -0.202 174.631 174.900 -0.112 0.000 0.988 177 G CA -0.012 44.998 45.100 -0.150 0.000 0.659 177 G HN 0.795 nan 8.290 nan 0.000 0.522 178 V N 1.107 120.956 119.914 -0.108 0.000 2.357 178 V HA 0.358 4.617 4.120 0.231 0.000 0.284 178 V C 1.276 177.334 176.094 -0.059 0.000 1.018 178 V CA -0.192 62.066 62.300 -0.070 0.000 0.841 178 V CB 1.449 33.241 31.823 -0.053 0.000 0.991 178 V HN 0.335 nan 8.190 nan 0.000 0.437 179 K N 2.010 122.382 120.400 -0.046 0.000 2.103 179 K HA 0.005 4.464 4.320 0.231 0.000 0.204 179 K C 1.132 177.725 176.600 -0.011 0.000 1.052 179 K CA 0.928 57.195 56.287 -0.034 0.000 0.945 179 K CB 0.079 32.560 32.500 -0.031 0.000 0.722 179 K HN 0.736 nan 8.250 nan 0.000 0.443 180 S N 0.382 116.080 115.700 -0.002 0.000 2.632 180 S HA 0.084 4.692 4.470 0.231 0.000 0.267 180 S C 1.380 176.004 174.600 0.040 0.000 1.276 180 S CA -0.611 57.599 58.200 0.017 0.000 0.998 180 S CB 1.505 64.713 63.200 0.014 0.000 0.953 180 S HN 0.068 nan 8.310 nan 0.000 0.547 181 V N -0.793 119.160 119.914 0.064 0.000 3.241 181 V HA -0.052 4.206 4.120 0.231 0.000 0.269 181 V C 1.850 178.012 176.094 0.113 0.000 1.151 181 V CA 1.567 63.934 62.300 0.113 0.000 1.158 181 V CB -1.706 30.209 31.823 0.155 0.000 0.764 181 V HN 0.799 nan 8.190 nan 0.000 0.508 182 S N 1.032 116.768 115.700 0.060 0.000 2.440 182 S HA -0.053 4.555 4.470 0.231 0.000 0.238 182 S C 2.230 176.861 174.600 0.052 0.000 1.010 182 S CA 1.496 59.715 58.200 0.033 0.000 0.972 182 S CB -0.417 62.791 63.200 0.012 0.000 0.774 182 S HN 0.933 nan 8.310 nan 0.000 0.501 183 A N 1.849 124.711 122.820 0.069 0.000 1.845 183 A HA -0.138 4.320 4.320 0.231 0.000 0.215 183 A C 2.021 179.694 177.584 0.149 0.000 1.195 183 A CA 1.603 53.697 52.037 0.095 0.000 0.616 183 A CB -0.687 18.353 19.000 0.067 0.000 0.832 183 A HN 0.428 nan 8.150 nan 0.000 0.443 184 E N -0.283 120.020 120.200 0.173 0.000 2.118 184 E HA -0.113 4.376 4.350 0.231 0.000 0.195 184 E C 1.919 178.638 176.600 0.199 0.000 0.992 184 E CA 1.200 57.727 56.400 0.212 0.000 0.804 184 E CB -0.428 29.407 29.700 0.224 0.000 0.741 184 E HN 0.341 nan 8.360 nan 0.000 0.458 185 V N 0.837 120.842 119.914 0.150 0.000 2.255 185 V HA -0.308 3.951 4.120 0.231 0.000 0.247 185 V C 2.338 178.378 176.094 -0.090 0.000 1.051 185 V CA 2.210 64.442 62.300 -0.113 0.000 1.018 185 V CB -0.466 31.239 31.823 -0.197 0.000 0.641 185 V HN 0.242 nan 8.190 nan 0.000 0.445 186 E N 0.062 120.266 120.200 0.007 0.000 2.085 186 E HA -0.207 4.282 4.350 0.231 0.000 0.194 186 E C 2.037 178.725 176.600 0.147 0.000 0.994 186 E CA 1.506 57.973 56.400 0.112 0.000 0.801 186 E CB -0.315 29.514 29.700 0.214 0.000 0.743 186 E HN 0.567 nan 8.360 nan 0.000 0.453 187 L N -0.661 120.651 121.223 0.147 0.000 2.027 187 L HA -0.164 4.315 4.340 0.231 0.000 0.206 187 L C 2.432 179.302 176.870 0.000 0.000 1.074 187 L CA 0.879 55.834 54.840 0.191 0.000 0.745 187 L CB -0.459 41.823 42.059 0.372 0.000 0.898 187 L HN 0.090 nan 8.230 nan 0.000 0.433 188 V N -1.039 118.735 119.914 -0.233 0.000 2.343 188 V HA -0.319 3.940 4.120 0.231 0.000 0.247 188 V C 2.590 178.582 176.094 -0.169 0.000 1.051 188 V CA 1.800 63.885 62.300 -0.359 0.000 1.036 188 V CB -0.536 31.107 31.823 -0.299 0.000 0.654 188 V HN 0.572 nan 8.190 nan 0.000 0.451 189 C N 0.214 119.475 119.300 -0.064 0.000 2.413 189 C HA -0.106 4.493 4.460 0.231 0.000 0.277 189 C C 3.079 178.118 174.990 0.082 0.000 1.265 189 C CA 0.780 59.879 59.018 0.135 0.000 1.752 189 C CB -1.381 26.309 27.740 -0.084 0.000 1.998 189 C HN 0.639 nan 8.230 nan 0.000 0.489 190 A N 0.559 123.172 122.820 -0.346 0.000 1.902 190 A HA 0.071 4.529 4.320 0.231 0.000 0.217 190 A C 2.385 179.892 177.584 -0.128 0.000 1.181 190 A CA 2.048 53.603 52.037 -0.803 0.000 0.623 190 A CB -0.929 17.486 19.000 -0.975 0.000 0.818 190 A HN 0.566 nan 8.150 nan 0.000 0.443 191 A N -0.880 121.855 122.820 -0.141 0.000 1.902 191 A HA -0.190 4.269 4.320 0.231 0.000 0.217 191 A C 2.313 179.894 177.584 -0.005 0.000 1.181 191 A CA 1.762 53.763 52.037 -0.060 0.000 0.623 191 A CB -1.304 17.419 19.000 -0.461 0.000 0.818 191 A HN 0.614 nan 8.150 nan 0.000 0.443 192 C N -2.206 116.947 119.300 -0.245 0.000 2.429 192 C HA -0.131 4.467 4.460 0.231 0.000 0.277 192 C C 2.432 177.061 174.990 -0.602 0.000 1.262 192 C CA 0.542 59.127 59.018 -0.720 0.000 1.733 192 C CB -1.579 25.254 27.740 -1.511 0.000 2.010 192 C HN 0.827 nan 8.230 nan 0.000 0.483 193 W N 1.668 122.773 121.300 -0.325 0.000 2.363 193 W HA -0.132 4.666 4.660 0.229 0.000 0.296 193 W C 2.341 178.853 176.519 -0.011 0.000 1.212 193 W CA 1.370 58.707 57.345 -0.013 0.000 1.260 193 W CB -0.270 29.399 29.460 0.348 0.000 1.131 193 W HN 0.356 nan 8.180 nan 0.000 0.530 194 A N 0.845 123.641 122.820 -0.039 0.000 1.898 194 A HA -0.224 4.235 4.320 0.231 0.000 0.216 194 A C 2.019 179.508 177.584 -0.159 0.000 1.181 194 A CA 1.912 53.846 52.037 -0.171 0.000 0.620 194 A CB -0.986 17.990 19.000 -0.040 0.000 0.819 194 A HN 0.358 nan 8.150 nan 0.000 0.442 195 M N -1.496 118.113 119.600 0.015 0.000 2.132 195 M HA -0.129 4.490 4.480 0.231 0.000 0.263 195 M C 2.336 178.672 176.300 0.059 0.000 1.065 195 M CA 1.733 57.108 55.300 0.125 0.000 1.122 195 M CB -0.240 32.542 32.600 0.303 0.000 1.365 195 M HN 0.370 nan 8.290 nan 0.000 0.411 196 R N 0.664 121.151 120.500 -0.023 0.000 2.091 196 R HA -0.066 4.413 4.340 0.231 0.000 0.238 196 R C 1.918 178.080 176.300 -0.230 0.000 1.136 196 R CA 2.109 58.203 56.100 -0.011 0.000 0.959 196 R CB -0.942 29.343 30.300 -0.026 0.000 0.856 196 R HN 0.220 nan 8.270 nan 0.000 0.437 197 S N 0.261 115.662 115.700 -0.498 0.000 2.419 197 S HA -0.036 4.573 4.470 0.231 0.000 0.233 197 S C 1.580 176.012 174.600 -0.281 0.000 1.016 197 S CA 1.146 59.033 58.200 -0.521 0.000 0.974 197 S CB -0.142 62.651 63.200 -0.678 0.000 0.786 197 S HN 0.300 nan 8.310 nan 0.000 0.492 198 L N 0.421 121.525 121.223 -0.198 0.000 2.599 198 L HA 0.214 4.692 4.340 0.231 0.000 0.230 198 L C 1.701 178.567 176.870 -0.006 0.000 1.141 198 L CA 0.457 55.244 54.840 -0.088 0.000 0.877 198 L CB -0.247 41.774 42.059 -0.064 0.000 1.009 198 L HN 0.498 nan 8.230 nan 0.000 0.447 199 G N -0.285 108.505 108.800 -0.017 0.000 2.179 199 G HA2 -0.221 3.878 3.960 0.231 0.000 0.220 199 G HA3 -0.221 3.878 3.960 0.231 0.000 0.220 199 G C 0.161 175.082 174.900 0.035 0.000 0.990 199 G CA -0.440 44.667 45.100 0.013 0.000 0.646 199 G HN 0.155 nan 8.290 nan 0.000 0.517 200 L N 1.462 122.723 121.223 0.064 0.000 2.439 200 L HA 0.678 5.157 4.340 0.231 0.000 0.261 200 L C 1.125 178.057 176.870 0.102 0.000 1.153 200 L CA 0.127 55.008 54.840 0.068 0.000 0.808 200 L CB 1.497 43.614 42.059 0.096 0.000 1.126 200 L HN 0.460 nan 8.230 nan 0.000 0.460 201 S N -1.372 114.280 115.700 -0.080 0.000 2.745 201 S HA 0.285 4.894 4.470 0.231 0.000 0.306 201 S C 0.674 174.762 174.600 -0.853 0.000 1.137 201 S CA -0.043 57.997 58.200 -0.267 0.000 0.900 201 S CB 1.486 64.603 63.200 -0.138 0.000 1.176 201 S HN 0.623 nan 8.310 nan 0.000 0.520 202 S N 0.101 115.042 115.700 -1.265 0.000 2.507 202 S HA 0.000 4.609 4.470 0.231 0.000 0.235 202 S C 1.268 175.511 174.600 -0.594 0.000 0.988 202 S CA 0.457 57.862 58.200 -1.324 0.000 0.944 202 S CB -0.601 61.821 63.200 -1.297 0.000 0.762 202 S HN 0.688 nan 8.310 nan 0.000 0.526 203 K N 0.871 121.036 120.400 -0.392 0.000 2.217 203 K HA -0.004 4.454 4.320 0.231 0.000 0.202 203 K C 1.052 177.533 176.600 -0.199 0.000 1.051 203 K CA 1.219 57.373 56.287 -0.221 0.000 0.952 203 K CB -0.066 32.351 32.500 -0.138 0.000 0.736 203 K HN 0.462 nan 8.250 nan 0.000 0.453 204 D N 0.180 120.434 120.400 -0.243 0.000 2.262 204 D HA -0.037 4.741 4.640 0.231 0.000 0.212 204 D C 0.894 177.062 176.300 -0.220 0.000 0.964 204 D CA 0.718 54.617 54.000 -0.168 0.000 0.875 204 D CB 0.486 41.215 40.800 -0.118 0.000 0.996 204 D HN 0.050 nan 8.370 nan 0.000 0.497 205 V N -2.660 117.047 119.914 -0.345 0.000 3.078 205 V HA 0.923 5.182 4.120 0.231 0.000 0.311 205 V C -0.216 175.551 176.094 -0.545 0.000 1.138 205 V CA -0.755 61.297 62.300 -0.413 0.000 1.007 205 V CB 1.966 33.680 31.823 -0.182 0.000 1.045 205 V HN 0.085 nan 8.190 nan 0.000 0.432 206 G N 0.979 109.263 108.800 -0.860 0.000 2.694 206 G HA2 0.774 4.873 3.960 0.231 0.000 0.290 206 G HA3 0.774 4.873 3.960 0.231 0.000 0.290 206 G C -1.659 173.172 174.900 -0.115 0.000 1.386 206 G CA -0.910 43.893 45.100 -0.495 0.000 0.872 206 G HN 0.871 nan 8.290 nan 0.000 0.475 207 I N 0.745 121.485 120.570 0.284 0.000 2.418 207 I HA 0.322 4.631 4.170 0.231 0.000 0.287 207 I C -0.357 176.028 176.117 0.446 0.000 1.008 207 I CA -0.689 60.826 61.300 0.357 0.000 1.104 207 I CB 2.213 40.346 38.000 0.222 0.000 1.264 207 I HN 0.208 nan 8.210 nan 0.000 0.438 208 K N 5.285 125.922 120.400 0.396 0.000 2.156 208 K HA 0.684 5.143 4.320 0.231 0.000 0.271 208 K C -1.025 175.668 176.600 0.154 0.000 0.995 208 K CA -0.566 55.849 56.287 0.213 0.000 0.890 208 K CB 2.248 34.741 32.500 -0.011 0.000 1.073 208 K HN 0.281 nan 8.250 nan 0.000 0.454 209 V N 2.380 122.378 119.914 0.140 0.000 2.789 209 V HA 0.423 4.681 4.120 0.231 0.000 0.311 209 V C -0.608 175.503 176.094 0.027 0.000 1.073 209 V CA -0.913 61.412 62.300 0.042 0.000 0.921 209 V CB 1.934 33.666 31.823 -0.150 0.000 1.009 209 V HN 0.824 nan 8.190 nan 0.000 0.426 210 N N 1.213 119.903 118.700 -0.018 0.000 2.972 210 N HA 0.607 5.485 4.740 0.231 0.000 0.262 210 N C -1.531 174.023 175.510 0.072 0.000 1.478 210 N CA -0.384 52.697 53.050 0.052 0.000 0.841 210 N CB 2.458 40.896 38.487 -0.083 0.000 1.512 210 N HN 0.671 nan 8.380 nan 0.000 0.548 211 S N -0.283 115.505 115.700 0.145 0.000 2.594 211 S HA 0.439 5.047 4.470 0.231 0.000 0.296 211 S C 0.460 175.153 174.600 0.154 0.000 1.124 211 S CA -0.526 57.750 58.200 0.126 0.000 1.011 211 S CB 0.823 64.112 63.200 0.148 0.000 1.016 211 S HN 0.551 nan 8.310 nan 0.000 0.485 212 R N 2.576 123.177 120.500 0.168 0.000 2.293 212 R HA -0.007 4.471 4.340 0.231 0.000 0.219 212 R C 1.495 177.970 176.300 0.291 0.000 1.091 212 R CA 0.966 57.227 56.100 0.269 0.000 1.004 212 R CB -0.058 30.447 30.300 0.343 0.000 0.865 212 R HN 0.621 nan 8.270 nan 0.000 0.469 213 K N 0.024 120.549 120.400 0.210 0.000 2.283 213 K HA -0.079 4.380 4.320 0.231 0.000 0.202 213 K C 1.880 178.609 176.600 0.216 0.000 1.048 213 K CA 0.909 57.310 56.287 0.191 0.000 0.948 213 K CB 0.106 32.732 32.500 0.211 0.000 0.742 213 K HN 0.006 nan 8.250 nan 0.000 0.458 214 V N 1.404 121.414 119.914 0.160 0.000 2.223 214 V HA -0.249 4.009 4.120 0.231 0.000 0.244 214 V C 2.129 178.259 176.094 0.060 0.000 1.045 214 V CA 1.517 63.833 62.300 0.027 0.000 1.000 214 V CB -0.432 31.423 31.823 0.054 0.000 0.635 214 V HN 0.223 nan 8.190 nan 0.000 0.445 215 L N -0.124 121.189 121.223 0.151 0.000 2.079 215 L HA -0.233 4.245 4.340 0.231 0.000 0.210 215 L C 2.595 179.593 176.870 0.214 0.000 1.081 215 L CA 2.143 57.114 54.840 0.219 0.000 0.752 215 L CB -0.737 41.507 42.059 0.308 0.000 0.896 215 L HN 0.440 nan 8.230 nan 0.000 0.433 216 Q N -1.406 118.415 119.800 0.035 0.000 2.077 216 Q HA -0.244 4.235 4.340 0.231 0.000 0.206 216 Q C 1.898 177.771 176.000 -0.212 0.000 0.989 216 Q CA 2.555 58.039 55.803 -0.532 0.000 0.853 216 Q CB -0.113 28.234 28.738 -0.651 0.000 0.907 216 Q HN 0.544 nan 8.270 nan 0.000 0.418 217 T N 0.266 114.796 114.554 -0.039 0.000 2.737 217 T HA -0.098 4.391 4.350 0.231 0.000 0.265 217 T C 1.911 176.614 174.700 0.005 0.000 1.038 217 T CA 1.362 63.474 62.100 0.020 0.000 1.144 217 T CB -0.238 68.707 68.868 0.128 0.000 0.866 217 T HN 0.130 nan 8.240 nan 0.000 0.434 218 V N 1.364 121.285 119.914 0.011 0.000 2.332 218 V HA -0.159 4.100 4.120 0.231 0.000 0.248 218 V C 2.655 178.770 176.094 0.035 0.000 1.055 218 V CA 1.392 63.706 62.300 0.024 0.000 1.038 218 V CB -0.817 31.028 31.823 0.036 0.000 0.651 218 V HN 0.309 nan 8.190 nan 0.000 0.450 219 V N -0.324 119.621 119.914 0.052 0.000 2.358 219 V HA -0.263 3.995 4.120 0.231 0.000 0.246 219 V C 2.430 178.539 176.094 0.024 0.000 1.047 219 V CA 2.250 64.590 62.300 0.068 0.000 1.035 219 V CB -0.464 31.458 31.823 0.165 0.000 0.658 219 V HN 0.626 nan 8.190 nan 0.000 0.452 220 E N -0.189 120.000 120.200 -0.017 0.000 2.047 220 E HA -0.255 4.234 4.350 0.231 0.000 0.191 220 E C 2.297 178.897 176.600 -0.001 0.000 0.987 220 E CA 1.336 57.722 56.400 -0.023 0.000 0.799 220 E CB -0.081 29.590 29.700 -0.049 0.000 0.752 220 E HN 0.634 nan 8.360 nan 0.000 0.449 221 Q N -0.616 119.188 119.800 0.005 0.000 2.291 221 Q HA -0.062 4.416 4.340 0.231 0.000 0.205 221 Q C 1.799 177.806 176.000 0.013 0.000 0.970 221 Q CA 0.928 56.738 55.803 0.011 0.000 0.876 221 Q CB 0.087 28.833 28.738 0.014 0.000 0.935 221 Q HN 0.275 nan 8.270 nan 0.000 0.455 222 A N -0.127 122.703 122.820 0.017 0.000 2.208 222 A HA 0.246 4.705 4.320 0.231 0.000 0.209 222 A C 1.472 179.067 177.584 0.020 0.000 1.161 222 A CA 0.830 52.879 52.037 0.020 0.000 0.782 222 A CB -0.191 18.826 19.000 0.027 0.000 0.816 222 A HN 0.436 nan 8.150 nan 0.000 0.477 223 G N -1.552 107.259 108.800 0.018 0.000 2.132 223 G HA2 -0.168 3.931 3.960 0.231 0.000 0.234 223 G HA3 -0.168 3.931 3.960 0.231 0.000 0.234 223 G C 0.062 174.975 174.900 0.021 0.000 0.989 223 G CA 0.056 45.166 45.100 0.016 0.000 0.676 223 G HN 0.777 nan 8.290 nan 0.000 0.522 224 V N 1.689 121.620 119.914 0.029 0.000 2.546 224 V HA 0.515 4.774 4.120 0.231 0.000 0.284 224 V C 1.235 177.353 176.094 0.039 0.000 1.050 224 V CA 0.099 62.422 62.300 0.039 0.000 0.981 224 V CB 1.369 33.226 31.823 0.057 0.000 0.990 224 V HN 0.400 nan 8.190 nan 0.000 0.474 225 T N 2.857 117.435 114.554 0.041 0.000 2.940 225 T HA 0.023 4.511 4.350 0.231 0.000 0.309 225 T C 1.431 176.168 174.700 0.062 0.000 1.056 225 T CA 0.359 62.483 62.100 0.041 0.000 1.137 225 T CB 0.723 69.615 68.868 0.039 0.000 0.976 225 T HN 0.998 nan 8.240 nan 0.000 0.547 226 S N 1.272 117.004 115.700 0.053 0.000 2.447 226 S HA -0.151 4.457 4.470 0.231 0.000 0.233 226 S C 1.411 176.088 174.600 0.129 0.000 1.006 226 S CA 0.967 59.213 58.200 0.077 0.000 0.957 226 S CB -0.494 62.724 63.200 0.031 0.000 0.773 226 S HN 0.855 nan 8.310 nan 0.000 0.507 227 D N 1.750 122.205 120.400 0.092 0.000 2.350 227 D HA 0.058 4.837 4.640 0.231 0.000 0.216 227 D C 1.591 177.945 176.300 0.090 0.000 0.968 227 D CA 1.273 55.326 54.000 0.088 0.000 0.894 227 D CB -0.589 40.246 40.800 0.059 0.000 0.909 227 D HN 0.617 nan 8.370 nan 0.000 0.520 228 K N -0.005 120.456 120.400 0.102 0.000 2.393 228 K HA 0.198 4.656 4.320 0.231 0.000 0.193 228 K C 1.478 178.150 176.600 0.120 0.000 1.026 228 K CA 0.208 56.547 56.287 0.087 0.000 1.064 228 K CB -1.207 31.335 32.500 0.071 0.000 0.833 228 K HN 0.207 nan 8.250 nan 0.000 0.521 229 F N 1.820 121.781 119.950 0.019 0.000 2.102 229 F HA -0.024 4.642 4.527 0.231 0.000 0.298 229 F C 2.493 178.305 175.800 0.019 0.000 1.105 229 F CA 1.327 59.341 58.000 0.023 0.000 1.239 229 F CB -0.485 38.533 39.000 0.031 0.000 0.991 229 F HN 0.231 nan 8.300 nan 0.000 0.474 230 A N 0.661 123.408 122.820 -0.121 0.000 1.858 230 A HA -0.102 4.356 4.320 0.231 0.000 0.216 230 A C -0.107 177.359 177.584 -0.196 0.000 1.190 230 A CA 1.855 53.757 52.037 -0.224 0.000 0.617 230 A CB -2.206 16.758 19.000 -0.060 0.000 0.827 230 A HN 0.366 nan 8.150 nan 0.000 0.443 231 P HA -0.097 nan 4.420 nan 0.000 0.216 231 P C 1.627 178.870 177.300 -0.096 0.000 1.150 231 P CA 1.158 64.212 63.100 -0.076 0.000 0.837 231 P CB -0.121 31.561 31.700 -0.030 0.000 0.786 232 V N -0.646 119.203 119.914 -0.109 0.000 2.295 232 V HA -0.286 3.972 4.120 0.231 0.000 0.246 232 V C 2.569 178.562 176.094 -0.167 0.000 1.049 232 V CA 1.990 64.228 62.300 -0.103 0.000 1.024 232 V CB -1.409 30.388 31.823 -0.043 0.000 0.648 232 V HN 0.201 nan 8.190 nan 0.000 0.447 233 C N -0.569 118.540 119.300 -0.318 0.000 2.398 233 C HA -0.157 4.442 4.460 0.231 0.000 0.276 233 C C 2.748 177.629 174.990 -0.181 0.000 1.222 233 C CA 1.180 60.012 59.018 -0.309 0.000 1.746 233 C CB -0.937 26.520 27.740 -0.471 0.000 2.039 233 C HN 0.454 nan 8.230 nan 0.000 0.470 234 V N 0.795 120.610 119.914 -0.165 0.000 2.332 234 V HA -0.254 4.004 4.120 0.231 0.000 0.248 234 V C 2.080 178.124 176.094 -0.085 0.000 1.055 234 V CA 2.224 64.456 62.300 -0.114 0.000 1.038 234 V CB -0.533 31.230 31.823 -0.101 0.000 0.651 234 V HN 0.552 nan 8.190 nan 0.000 0.450 235 I N -0.833 119.690 120.570 -0.078 0.000 2.286 235 I HA -0.144 4.165 4.170 0.231 0.000 0.245 235 I C 2.262 178.346 176.117 -0.055 0.000 1.104 235 I CA 0.993 62.260 61.300 -0.056 0.000 1.397 235 I CB -0.222 37.752 38.000 -0.044 0.000 1.072 235 I HN 0.110 nan 8.210 nan 0.000 0.417 236 V N 0.671 120.546 119.914 -0.065 0.000 2.809 236 V HA -0.258 4.001 4.120 0.231 0.000 0.256 236 V C 1.975 178.032 176.094 -0.061 0.000 1.080 236 V CA 1.891 64.158 62.300 -0.056 0.000 1.102 236 V CB -0.572 31.218 31.823 -0.054 0.000 0.705 236 V HN 0.457 nan 8.190 nan 0.000 0.475 237 D N 0.458 120.815 120.400 -0.071 0.000 2.265 237 D HA -0.189 4.589 4.640 0.231 0.000 0.208 237 D C 1.998 178.263 176.300 -0.057 0.000 0.977 237 D CA 1.165 55.124 54.000 -0.068 0.000 0.871 237 D CB -0.034 40.724 40.800 -0.071 0.000 0.925 237 D HN 0.384 nan 8.370 nan 0.000 0.485 238 K N -0.463 119.907 120.400 -0.051 0.000 2.487 238 K HA 0.031 4.489 4.320 0.231 0.000 0.192 238 K C 1.743 178.319 176.600 -0.041 0.000 1.027 238 K CA -0.189 56.072 56.287 -0.043 0.000 1.054 238 K CB 0.132 32.609 32.500 -0.037 0.000 0.824 238 K HN 0.221 nan 8.250 nan 0.000 0.510 239 M N 1.257 120.831 119.600 -0.044 0.000 2.089 239 M HA -0.241 4.378 4.480 0.231 0.000 0.257 239 M C 2.471 178.746 176.300 -0.042 0.000 1.071 239 M CA 2.345 57.620 55.300 -0.042 0.000 1.096 239 M CB -0.959 31.614 32.600 -0.046 0.000 1.330 239 M HN 0.383 nan 8.290 nan 0.000 0.403 240 E N -0.112 120.059 120.200 -0.048 0.000 2.347 240 E HA -0.163 4.325 4.350 0.231 0.000 0.196 240 E C 2.003 178.580 176.600 -0.038 0.000 1.008 240 E CA 1.492 57.864 56.400 -0.047 0.000 0.852 240 E CB -0.471 29.195 29.700 -0.056 0.000 0.783 240 E HN 0.619 nan 8.360 nan 0.000 0.505 241 K N -0.902 119.477 120.400 -0.036 0.000 2.242 241 K HA 0.223 4.682 4.320 0.231 0.000 0.200 241 K C 0.885 177.468 176.600 -0.027 0.000 1.050 241 K CA 0.679 56.948 56.287 -0.031 0.000 0.981 241 K CB 0.070 32.552 32.500 -0.030 0.000 0.795 241 K HN 0.588 nan 8.250 nan 0.000 0.477 242 I N -1.825 118.728 120.570 -0.028 0.000 2.892 242 I HA 0.524 4.833 4.170 0.231 0.000 0.306 242 I C -2.728 173.375 176.117 -0.023 0.000 1.078 242 I CA -3.077 58.208 61.300 -0.024 0.000 1.032 242 I CB 1.940 39.927 38.000 -0.023 0.000 1.229 242 I HN -0.194 nan 8.210 nan 0.000 0.435 243 P HA 0.110 nan 4.420 nan 0.000 0.269 243 P C 0.618 177.907 177.300 -0.018 0.000 1.209 243 P CA -0.008 63.081 63.100 -0.018 0.000 0.776 243 P CB 0.627 32.318 31.700 -0.015 0.000 0.876 244 R N 2.894 123.384 120.500 -0.017 0.000 2.105 244 R HA -0.195 4.284 4.340 0.231 0.000 0.239 244 R C 1.993 178.286 176.300 -0.013 0.000 1.135 244 R CA 2.203 58.293 56.100 -0.016 0.000 0.967 244 R CB -1.922 28.369 30.300 -0.015 0.000 0.861 244 R HN 0.559 nan 8.270 nan 0.000 0.442 245 E N -0.103 120.090 120.200 -0.011 0.000 2.204 245 E HA -0.130 4.358 4.350 0.231 0.000 0.195 245 E C 1.939 178.533 176.600 -0.010 0.000 0.990 245 E CA 1.358 57.752 56.400 -0.009 0.000 0.821 245 E CB 0.004 29.699 29.700 -0.008 0.000 0.750 245 E HN 0.807 nan 8.360 nan 0.000 0.477 246 E N -0.222 119.971 120.200 -0.012 0.000 2.112 246 E HA -0.111 4.378 4.350 0.231 0.000 0.190 246 E C 1.862 178.454 176.600 -0.014 0.000 0.979 246 E CA 0.682 57.075 56.400 -0.012 0.000 0.814 246 E CB 0.275 29.966 29.700 -0.014 0.000 0.762 246 E HN 0.074 nan 8.360 nan 0.000 0.460 247 V N 1.508 121.413 119.914 -0.016 0.000 2.332 247 V HA -0.274 3.984 4.120 0.231 0.000 0.248 247 V C 1.991 178.077 176.094 -0.013 0.000 1.055 247 V CA 2.104 64.394 62.300 -0.018 0.000 1.038 247 V CB -0.497 31.314 31.823 -0.021 0.000 0.651 247 V HN 0.275 nan 8.190 nan 0.000 0.450 248 E N 0.322 120.516 120.200 -0.010 0.000 2.072 248 E HA -0.161 4.327 4.350 0.231 0.000 0.191 248 E C 2.362 178.960 176.600 -0.004 0.000 0.985 248 E CA 1.215 57.612 56.400 -0.006 0.000 0.801 248 E CB -0.390 29.307 29.700 -0.004 0.000 0.750 248 E HN 0.594 nan 8.360 nan 0.000 0.452 249 A N 1.406 124.223 122.820 -0.006 0.000 1.892 249 A HA -0.300 4.158 4.320 0.231 0.000 0.218 249 A C 2.080 179.661 177.584 -0.005 0.000 1.188 249 A CA 1.676 53.710 52.037 -0.005 0.000 0.631 249 A CB -0.530 18.466 19.000 -0.006 0.000 0.822 249 A HN 0.201 nan 8.150 nan 0.000 0.447 250 Q N -0.709 119.086 119.800 -0.008 0.000 2.119 250 Q HA -0.019 4.460 4.340 0.231 0.000 0.201 250 Q C 2.056 178.051 176.000 -0.007 0.000 0.972 250 Q CA 1.184 56.982 55.803 -0.009 0.000 0.847 250 Q CB -0.257 28.473 28.738 -0.014 0.000 0.903 250 Q HN 0.687 nan 8.270 nan 0.000 0.433 251 L N -0.038 121.181 121.223 -0.006 0.000 2.141 251 L HA -0.124 4.355 4.340 0.231 0.000 0.209 251 L C 2.413 179.285 176.870 0.004 0.000 1.094 251 L CA 0.745 55.584 54.840 -0.001 0.000 0.763 251 L CB -0.449 41.610 42.059 0.000 0.000 0.908 251 L HN 0.196 nan 8.230 nan 0.000 0.437 252 A N -0.497 122.325 122.820 0.002 0.000 1.930 252 A HA -0.109 4.349 4.320 0.231 0.000 0.217 252 A C 2.283 179.869 177.584 0.004 0.000 1.175 252 A CA 1.264 53.304 52.037 0.004 0.000 0.627 252 A CB -0.631 18.370 19.000 0.003 0.000 0.815 252 A HN 0.179 nan 8.150 nan 0.000 0.443 253 V N -0.427 119.488 119.914 0.002 0.000 2.626 253 V HA -0.165 4.094 4.120 0.231 0.000 0.252 253 V C 2.271 178.368 176.094 0.004 0.000 1.067 253 V CA 1.489 63.790 62.300 0.002 0.000 1.081 253 V CB -0.523 31.300 31.823 -0.000 0.000 0.686 253 V HN 0.498 nan 8.190 nan 0.000 0.468 254 L N 0.660 121.885 121.223 0.005 0.000 2.465 254 L HA 0.224 4.702 4.340 0.231 0.000 0.224 254 L C 1.743 178.621 176.870 0.013 0.000 1.145 254 L CA 1.579 56.424 54.840 0.008 0.000 0.834 254 L CB -0.556 41.507 42.059 0.008 0.000 0.944 254 L HN 0.476 nan 8.230 nan 0.000 0.451 255 G N -1.521 107.285 108.800 0.011 0.000 2.144 255 G HA2 -0.221 3.878 3.960 0.231 0.000 0.218 255 G HA3 -0.221 3.878 3.960 0.231 0.000 0.218 255 G C -0.007 174.902 174.900 0.015 0.000 0.988 255 G CA 0.022 45.129 45.100 0.013 0.000 0.659 255 G HN 0.149 nan 8.290 nan 0.000 0.522 256 L N 1.795 123.028 121.223 0.016 0.000 2.349 256 L HA 0.455 4.934 4.340 0.231 0.000 0.275 256 L C 0.824 177.703 176.870 0.015 0.000 1.115 256 L CA -0.364 54.487 54.840 0.019 0.000 0.820 256 L CB 0.773 42.845 42.059 0.022 0.000 1.135 256 L HN 0.138 nan 8.230 nan 0.000 0.445 257 E N 4.622 124.831 120.200 0.016 0.000 2.390 257 E HA 0.083 4.571 4.350 0.231 0.000 0.261 257 E C -1.613 174.994 176.600 0.012 0.000 1.076 257 E CA -1.552 54.856 56.400 0.013 0.000 0.905 257 E CB 0.395 30.103 29.700 0.013 0.000 0.984 257 E HN 0.360 nan 8.360 nan 0.000 0.427 258 P HA -0.163 nan 4.420 nan 0.000 0.218 258 P C 1.361 178.667 177.300 0.010 0.000 1.148 258 P CA 1.798 64.903 63.100 0.008 0.000 0.822 258 P CB 0.102 31.806 31.700 0.006 0.000 0.784 259 T N -4.061 110.499 114.554 0.010 0.000 2.942 259 T HA -0.041 4.448 4.350 0.231 0.000 0.265 259 T C 1.770 176.479 174.700 0.014 0.000 1.062 259 T CA 0.843 62.950 62.100 0.011 0.000 1.139 259 T CB -1.295 67.580 68.868 0.010 0.000 0.883 259 T HN -0.113 nan 8.240 nan 0.000 0.468 260 V N 1.339 121.263 119.914 0.017 0.000 2.379 260 V HA -0.076 4.182 4.120 0.231 0.000 0.245 260 V C 2.930 179.039 176.094 0.024 0.000 1.044 260 V CA 1.101 63.415 62.300 0.023 0.000 1.036 260 V CB -0.651 31.188 31.823 0.027 0.000 0.664 260 V HN 0.367 nan 8.190 nan 0.000 0.453 261 V N 0.197 120.123 119.914 0.019 0.000 2.332 261 V HA -0.297 3.962 4.120 0.231 0.000 0.248 261 V C 2.402 178.504 176.094 0.014 0.000 1.055 261 V CA 2.372 64.682 62.300 0.016 0.000 1.038 261 V CB -0.601 31.228 31.823 0.010 0.000 0.651 261 V HN 0.599 nan 8.190 nan 0.000 0.450 262 D N -0.180 120.227 120.400 0.012 0.000 2.117 262 D HA -0.117 4.662 4.640 0.231 0.000 0.198 262 D C 2.232 178.540 176.300 0.013 0.000 0.982 262 D CA 1.492 55.498 54.000 0.010 0.000 0.828 262 D CB 0.120 40.925 40.800 0.009 0.000 0.967 262 D HN 0.402 nan 8.370 nan 0.000 0.464 263 A N 0.879 123.709 122.820 0.017 0.000 1.883 263 A HA -0.179 4.279 4.320 0.231 0.000 0.217 263 A C 2.431 180.030 177.584 0.025 0.000 1.186 263 A CA 1.134 53.182 52.037 0.020 0.000 0.624 263 A CB -0.773 18.240 19.000 0.022 0.000 0.822 263 A HN 0.271 nan 8.150 nan 0.000 0.444 264 I N -0.848 119.740 120.570 0.029 0.000 2.099 264 I HA -0.263 4.045 4.170 0.231 0.000 0.239 264 I C 2.690 178.819 176.117 0.021 0.000 1.066 264 I CA 1.882 63.202 61.300 0.034 0.000 1.324 264 I CB -0.866 37.156 38.000 0.036 0.000 1.037 264 I HN 0.264 nan 8.210 nan 0.000 0.401 265 T N 0.215 114.777 114.554 0.013 0.000 2.620 265 T HA -0.275 4.214 4.350 0.231 0.000 0.267 265 T C 1.884 176.588 174.700 0.007 0.000 1.044 265 T CA 2.493 64.596 62.100 0.005 0.000 1.161 265 T CB -0.489 68.380 68.868 0.003 0.000 0.862 265 T HN 0.413 nan 8.240 nan 0.000 0.438 266 T N 1.477 116.038 114.554 0.011 0.000 2.684 266 T HA -0.152 4.337 4.350 0.231 0.000 0.267 266 T C 2.402 177.114 174.700 0.020 0.000 1.036 266 T CA 2.070 64.177 62.100 0.013 0.000 1.148 266 T CB -0.844 68.032 68.868 0.013 0.000 0.863 266 T HN 0.738 nan 8.240 nan 0.000 0.436 267 T N 1.320 115.889 114.554 0.025 0.000 2.833 267 T HA -0.005 4.483 4.350 0.231 0.000 0.269 267 T C 1.968 176.692 174.700 0.040 0.000 1.054 267 T CA 0.875 62.998 62.100 0.038 0.000 1.135 267 T CB -0.719 68.173 68.868 0.041 0.000 0.869 267 T HN 0.325 nan 8.240 nan 0.000 0.466 268 L N 1.799 123.034 121.223 0.019 0.000 2.275 268 L HA 0.043 4.521 4.340 0.231 0.000 0.215 268 L C 2.731 179.592 176.870 -0.015 0.000 1.119 268 L CA 1.282 56.119 54.840 -0.005 0.000 0.790 268 L CB -0.379 41.669 42.059 -0.018 0.000 0.919 268 L HN 0.516 nan 8.230 nan 0.000 0.443 269 S N -1.485 114.217 115.700 0.003 0.000 2.554 269 S HA 0.227 4.836 4.470 0.231 0.000 0.226 269 S C 0.527 175.143 174.600 0.026 0.000 0.980 269 S CA -0.505 57.696 58.200 0.000 0.000 0.939 269 S CB -0.198 63.000 63.200 -0.003 0.000 0.832 269 S HN 0.157 nan 8.310 nan 0.000 0.486 270 L N 2.378 123.636 121.223 0.058 0.000 2.410 270 L HA 0.308 4.786 4.340 0.231 0.000 0.273 270 L C 1.137 178.105 176.870 0.163 0.000 1.144 270 L CA -0.540 54.358 54.840 0.097 0.000 0.863 270 L CB 0.630 42.755 42.059 0.110 0.000 1.140 270 L HN 0.099 nan 8.230 nan 0.000 0.463 271 K N 1.278 121.758 120.400 0.133 0.000 2.400 271 K HA 0.156 4.615 4.320 0.231 0.000 0.194 271 K C 0.108 176.857 176.600 0.249 0.000 1.033 271 K CA 0.176 56.553 56.287 0.150 0.000 1.021 271 K CB 0.355 32.899 32.500 0.073 0.000 0.808 271 K HN 0.528 nan 8.250 nan 0.000 0.505 272 S N -0.152 115.667 115.700 0.199 0.000 2.599 272 S HA 0.425 5.034 4.470 0.231 0.000 0.287 272 S C 1.224 175.681 174.600 -0.238 0.000 1.105 272 S CA -0.781 57.440 58.200 0.036 0.000 0.899 272 S CB 1.740 64.928 63.200 -0.021 0.000 1.100 272 S HN -0.100 nan 8.310 nan 0.000 0.482 273 I N 1.018 121.232 120.570 -0.592 0.000 2.286 273 I HA -0.178 4.130 4.170 0.231 0.000 0.248 273 I C 1.477 177.433 176.117 -0.268 0.000 1.115 273 I CA 1.202 62.117 61.300 -0.642 0.000 1.392 273 I CB -0.253 37.416 38.000 -0.551 0.000 1.065 273 I HN 0.583 nan 8.210 nan 0.000 0.418 274 D N 0.905 121.202 120.400 -0.172 0.000 2.149 274 D HA -0.191 4.588 4.640 0.231 0.000 0.198 274 D C 2.084 178.344 176.300 -0.066 0.000 0.990 274 D CA 1.218 55.163 54.000 -0.091 0.000 0.839 274 D CB -0.135 40.628 40.800 -0.062 0.000 0.948 274 D HN 0.421 nan 8.370 nan 0.000 0.460 275 E N -0.025 120.139 120.200 -0.060 0.000 2.152 275 E HA -0.069 4.420 4.350 0.231 0.000 0.192 275 E C 2.334 178.921 176.600 -0.022 0.000 0.983 275 E CA 0.357 56.744 56.400 -0.021 0.000 0.818 275 E CB -0.046 29.661 29.700 0.013 0.000 0.758 275 E HN 0.467 nan 8.360 nan 0.000 0.467 276 I N -1.539 119.003 120.570 -0.046 0.000 2.546 276 I HA -0.056 4.253 4.170 0.231 0.000 0.255 276 I C 2.297 178.376 176.117 -0.063 0.000 1.163 276 I CA 1.076 62.352 61.300 -0.040 0.000 1.457 276 I CB -0.114 37.875 38.000 -0.017 0.000 1.092 276 I HN -0.092 nan 8.210 nan 0.000 0.434 277 A N 1.061 123.843 122.820 -0.063 0.000 1.969 277 A HA -0.180 4.279 4.320 0.231 0.000 0.218 277 A C 2.328 179.897 177.584 -0.025 0.000 1.169 277 A CA 1.609 53.623 52.037 -0.038 0.000 0.635 277 A CB -0.609 18.371 19.000 -0.033 0.000 0.810 277 A HN 0.663 nan 8.150 nan 0.000 0.445 278 Q N -1.116 118.670 119.800 -0.024 0.000 2.079 278 Q HA -0.194 4.285 4.340 0.231 0.000 0.200 278 Q C 2.374 178.366 176.000 -0.015 0.000 0.974 278 Q CA 1.646 57.441 55.803 -0.014 0.000 0.840 278 Q CB -0.168 28.564 28.738 -0.010 0.000 0.898 278 Q HN 0.606 nan 8.270 nan 0.000 0.430 279 R N 0.743 121.229 120.500 -0.023 0.000 2.062 279 R HA -0.111 4.368 4.340 0.231 0.000 0.231 279 R C 1.925 178.201 176.300 -0.040 0.000 1.136 279 R CA 1.854 57.939 56.100 -0.025 0.000 0.948 279 R CB -0.284 30.001 30.300 -0.024 0.000 0.845 279 R HN 0.264 nan 8.270 nan 0.000 0.430 280 V N -3.043 116.822 119.914 -0.081 0.000 3.578 280 V HA 0.531 4.789 4.120 0.231 0.000 0.290 280 V C 0.484 176.566 176.094 -0.021 0.000 1.376 280 V CA 0.189 62.417 62.300 -0.120 0.000 1.083 280 V CB -0.185 31.401 31.823 -0.395 0.000 0.911 280 V HN 0.503 nan 8.190 nan 0.000 0.433 281 G N 0.364 109.165 108.800 0.003 0.000 2.770 281 G HA2 -0.116 3.983 3.960 0.231 0.000 0.686 281 G HA3 -0.116 3.983 3.960 0.231 0.000 0.686 281 G C -0.067 174.870 174.900 0.061 0.000 1.180 281 G CA 0.097 45.226 45.100 0.049 0.000 0.767 281 G HN 0.265 nan 8.290 nan 0.000 0.646 282 E N -0.168 120.058 120.200 0.043 0.000 2.208 282 E HA -0.054 4.434 4.350 0.231 0.000 0.193 282 E C 1.652 178.286 176.600 0.056 0.000 0.988 282 E CA 1.024 57.446 56.400 0.037 0.000 0.828 282 E CB 0.146 29.858 29.700 0.020 0.000 0.763 282 E HN 0.547 nan 8.360 nan 0.000 0.478 283 E N -0.088 120.151 120.200 0.064 0.000 2.476 283 E HA -0.040 4.448 4.350 0.231 0.000 0.196 283 E C -0.104 176.541 176.600 0.074 0.000 1.029 283 E CA -0.252 56.182 56.400 0.057 0.000 0.896 283 E CB 0.210 29.929 29.700 0.032 0.000 1.012 283 E HN 0.256 nan 8.360 nan 0.000 0.475 284 H N 1.865 120.941 119.070 0.010 0.000 3.038 284 H HA -0.082 4.612 4.556 0.231 0.000 0.338 284 H C 1.111 176.450 175.328 0.018 0.000 1.041 284 H CA 1.357 57.412 56.048 0.012 0.000 1.394 284 H CB 0.909 30.679 29.762 0.013 0.000 1.357 284 H HN 0.300 nan 8.280 nan 0.000 0.600 285 E N 3.576 123.593 120.200 -0.306 0.000 2.204 285 E HA -0.122 4.367 4.350 0.231 0.000 0.195 285 E C 1.828 178.458 176.600 0.050 0.000 0.990 285 E CA 0.877 57.209 56.400 -0.112 0.000 0.821 285 E CB -0.052 29.554 29.700 -0.157 0.000 0.750 285 E HN 0.600 nan 8.360 nan 0.000 0.477 286 A N 1.531 124.490 122.820 0.232 0.000 1.933 286 A HA -0.079 4.379 4.320 0.231 0.000 0.218 286 A C 2.468 180.172 177.584 0.199 0.000 1.175 286 A CA 1.309 53.506 52.037 0.266 0.000 0.628 286 A CB -0.613 18.597 19.000 0.349 0.000 0.814 286 A HN 0.195 nan 8.150 nan 0.000 0.444 287 V N 0.312 120.350 119.914 0.206 0.000 2.307 287 V HA -0.244 4.014 4.120 0.231 0.000 0.245 287 V C 2.435 178.591 176.094 0.103 0.000 1.045 287 V CA 2.209 64.577 62.300 0.113 0.000 1.024 287 V CB -0.634 31.239 31.823 0.084 0.000 0.651 287 V HN 0.522 nan 8.190 nan 0.000 0.449 288 K N -0.032 120.426 120.400 0.096 0.000 2.057 288 K HA -0.216 4.242 4.320 0.231 0.000 0.207 288 K C 2.111 178.771 176.600 0.099 0.000 1.049 288 K CA 1.791 58.126 56.287 0.081 0.000 0.931 288 K CB -0.212 32.321 32.500 0.054 0.000 0.714 288 K HN 0.579 nan 8.250 nan 0.000 0.440 289 E N 0.871 121.133 120.200 0.104 0.000 2.072 289 E HA -0.118 4.370 4.350 0.231 0.000 0.191 289 E C 2.158 178.853 176.600 0.159 0.000 0.985 289 E CA 0.732 57.200 56.400 0.114 0.000 0.801 289 E CB -0.064 29.691 29.700 0.091 0.000 0.750 289 E HN 0.185 nan 8.360 nan 0.000 0.452 290 L N 0.774 122.099 121.223 0.171 0.000 2.017 290 L HA -0.176 4.303 4.340 0.231 0.000 0.208 290 L C 2.610 179.711 176.870 0.386 0.000 1.073 290 L CA 1.106 56.097 54.840 0.252 0.000 0.745 290 L CB -0.347 41.876 42.059 0.273 0.000 0.894 290 L HN 0.063 nan 8.230 nan 0.000 0.432 291 R N -0.133 120.531 120.500 0.272 0.000 2.083 291 R HA -0.207 4.272 4.340 0.231 0.000 0.237 291 R C 2.241 178.682 176.300 0.236 0.000 1.137 291 R CA 1.609 57.861 56.100 0.253 0.000 0.951 291 R CB -0.577 29.806 30.300 0.138 0.000 0.851 291 R HN 0.546 nan 8.270 nan 0.000 0.434 292 Q N -0.287 119.619 119.800 0.176 0.000 2.084 292 Q HA -0.177 4.302 4.340 0.231 0.000 0.202 292 Q C 1.977 178.051 176.000 0.124 0.000 0.978 292 Q CA 1.558 57.438 55.803 0.129 0.000 0.844 292 Q CB -0.267 28.530 28.738 0.099 0.000 0.898 292 Q HN 0.279 nan 8.270 nan 0.000 0.426 293 F N 0.430 120.378 119.950 -0.004 0.000 2.095 293 F HA -0.258 4.406 4.527 0.230 0.000 0.298 293 F C 1.623 177.341 175.800 -0.138 0.000 1.104 293 F CA 1.420 59.347 58.000 -0.122 0.000 1.232 293 F CB -0.179 38.671 39.000 -0.249 0.000 0.987 293 F HN -0.055 nan 8.300 nan 0.000 0.475 294 F N 1.308 121.373 119.950 0.191 0.000 2.146 294 F HA -0.122 4.544 4.527 0.232 0.000 0.298 294 F C 2.645 178.440 175.800 -0.009 0.000 1.096 294 F CA 1.603 59.655 58.000 0.086 0.000 1.275 294 F CB -1.096 38.027 39.000 0.206 0.000 1.008 294 F HN 0.205 nan 8.300 nan 0.000 0.480 295 E N 0.038 120.347 120.200 0.182 0.000 2.153 295 E HA -0.242 4.247 4.350 0.231 0.000 0.194 295 E C 1.868 178.485 176.600 0.027 0.000 0.988 295 E CA 1.390 57.850 56.400 0.100 0.000 0.811 295 E CB -0.613 29.140 29.700 0.089 0.000 0.746 295 E HN 0.526 nan 8.360 nan 0.000 0.466 296 Q N 0.669 120.444 119.800 -0.042 0.000 2.049 296 Q HA -0.065 4.413 4.340 0.231 0.000 0.198 296 Q C 2.495 178.429 176.000 -0.110 0.000 0.971 296 Q CA 1.456 57.211 55.803 -0.080 0.000 0.833 296 Q CB 0.101 28.772 28.738 -0.111 0.000 0.896 296 Q HN 0.198 nan 8.270 nan 0.000 0.434 297 V N 1.495 121.257 119.914 -0.254 0.000 2.392 297 V HA -0.275 3.983 4.120 0.231 0.000 0.249 297 V C 1.856 177.976 176.094 0.044 0.000 1.059 297 V CA 1.966 64.162 62.300 -0.173 0.000 1.051 297 V CB -0.484 31.124 31.823 -0.358 0.000 0.658 297 V HN 0.358 nan 8.190 nan 0.000 0.455 298 E N 0.251 120.492 120.200 0.069 0.000 2.077 298 E HA -0.189 4.299 4.350 0.231 0.000 0.193 298 E C 2.329 178.969 176.600 0.066 0.000 0.989 298 E CA 1.329 57.795 56.400 0.110 0.000 0.800 298 E CB -0.386 29.386 29.700 0.120 0.000 0.746 298 E HN 0.605 nan 8.360 nan 0.000 0.452 299 A N 0.469 123.314 122.820 0.042 0.000 1.933 299 A HA -0.213 4.245 4.320 0.231 0.000 0.218 299 A C 1.979 179.560 177.584 -0.006 0.000 1.175 299 A CA 1.252 53.298 52.037 0.016 0.000 0.628 299 A CB -0.698 18.310 19.000 0.013 0.000 0.814 299 A HN 0.427 nan 8.150 nan 0.000 0.444 300 Y N -0.365 119.858 120.300 -0.127 0.000 2.439 300 Y HA 0.203 4.891 4.550 0.231 0.000 0.292 300 Y C 1.614 177.340 175.900 -0.290 0.000 1.130 300 Y CA 1.303 59.274 58.100 -0.216 0.000 1.254 300 Y CB 0.109 38.423 38.460 -0.244 0.000 1.000 300 Y HN 0.482 nan 8.280 nan 0.000 0.554 301 G N -1.756 106.974 108.800 -0.117 0.000 2.154 301 G HA2 -0.263 3.836 3.960 0.231 0.000 0.186 301 G HA3 -0.263 3.836 3.960 0.231 0.000 0.186 301 G C -0.117 174.846 174.900 0.104 0.000 1.000 301 G CA 0.054 45.093 45.100 -0.102 0.000 0.664 301 G HN 0.300 nan 8.290 nan 0.000 0.513 302 Y N 1.269 121.696 120.300 0.213 0.000 2.708 302 Y HA 0.430 5.118 4.550 0.231 0.000 0.287 302 Y C 2.204 178.317 175.900 0.355 0.000 1.145 302 Y CA -0.591 57.676 58.100 0.278 0.000 1.249 302 Y CB 0.047 38.547 38.460 0.068 0.000 1.152 302 Y HN 0.187 nan 8.280 nan 0.000 0.532 303 G N 0.079 109.123 108.800 0.407 0.000 2.469 303 G HA2 -0.262 3.837 3.960 0.231 0.000 0.220 303 G HA3 -0.262 3.837 3.960 0.231 0.000 0.220 303 G C 1.347 176.452 174.900 0.342 0.000 1.136 303 G CA 1.171 46.470 45.100 0.332 0.000 0.759 303 G HN 0.249 nan 8.290 nan 0.000 0.562 304 D N -0.380 120.228 120.400 0.347 0.000 2.312 304 D HA -0.036 4.743 4.640 0.231 0.000 0.211 304 D C 1.737 178.134 176.300 0.162 0.000 0.964 304 D CA 0.407 54.529 54.000 0.205 0.000 0.877 304 D CB -0.154 40.710 40.800 0.107 0.000 0.924 304 D HN 0.587 nan 8.370 nan 0.000 0.515 305 W N 0.922 122.312 121.300 0.150 0.000 2.863 305 W HA 0.084 4.882 4.660 0.231 0.000 0.258 305 W C 0.857 177.467 176.519 0.151 0.000 1.298 305 W CA 0.031 57.427 57.345 0.085 0.000 1.451 305 W CB 0.025 29.485 29.460 -0.001 0.000 1.107 305 W HN -0.263 nan 8.180 nan 0.000 0.641 306 V N 0.240 120.433 119.914 0.465 0.000 2.815 306 V HA 0.901 5.159 4.120 0.231 0.000 0.314 306 V C -0.596 175.829 176.094 0.553 0.000 1.064 306 V CA -1.553 61.058 62.300 0.517 0.000 0.952 306 V CB 1.524 33.684 31.823 0.561 0.000 1.020 306 V HN 0.039 nan 8.190 nan 0.000 0.439 307 L N 0.556 122.145 121.223 0.610 0.000 2.622 307 L HA 0.757 5.235 4.340 0.231 0.000 0.258 307 L C -1.000 176.188 176.870 0.529 0.000 0.996 307 L CA -0.748 54.357 54.840 0.443 0.000 0.858 307 L CB 1.817 44.042 42.059 0.277 0.000 1.449 307 L HN 0.765 nan 8.230 nan 0.000 0.411 308 F N 1.393 121.446 119.950 0.173 0.000 2.412 308 F HA 0.647 5.313 4.527 0.231 0.000 0.348 308 F C -0.370 175.489 175.800 0.099 0.000 1.102 308 F CA 0.346 58.470 58.000 0.207 0.000 1.196 308 F CB 0.931 39.959 39.000 0.047 0.000 1.144 308 F HN 0.696 nan 8.300 nan 0.000 0.541 309 D N 4.449 124.333 120.400 -0.859 0.000 2.478 309 D HA 0.292 5.071 4.640 0.231 0.000 0.240 309 D C 0.203 175.949 176.300 -0.923 0.000 1.364 309 D CA -0.131 53.424 54.000 -0.741 0.000 0.987 309 D CB 1.781 42.369 40.800 -0.353 0.000 1.328 309 D HN 0.692 nan 8.370 nan 0.000 0.584 310 A N 2.394 124.660 122.820 -0.923 0.000 2.125 310 A HA -0.103 4.356 4.320 0.231 0.000 0.219 310 A C 1.855 179.312 177.584 -0.211 0.000 1.156 310 A CA 1.700 53.474 52.037 -0.438 0.000 0.671 310 A CB -0.207 18.765 19.000 -0.047 0.000 0.794 310 A HN 0.515 nan 8.150 nan 0.000 0.459 311 S N -0.932 114.640 115.700 -0.214 0.000 2.527 311 S HA 0.130 4.738 4.470 0.231 0.000 0.222 311 S C 0.427 174.945 174.600 -0.135 0.000 0.985 311 S CA 0.240 58.357 58.200 -0.139 0.000 0.921 311 S CB -0.506 62.618 63.200 -0.126 0.000 0.772 311 S HN 0.107 nan 8.310 nan 0.000 0.529 312 V N 3.299 123.111 119.914 -0.170 0.000 2.427 312 V HA 0.260 4.519 4.120 0.231 0.000 0.268 312 V C 1.145 177.173 176.094 -0.111 0.000 1.046 312 V CA 0.204 62.419 62.300 -0.141 0.000 0.970 312 V CB 0.888 32.622 31.823 -0.148 0.000 1.001 312 V HN 0.489 nan 8.190 nan 0.000 0.476 313 V N 2.574 122.429 119.914 -0.098 0.000 3.480 313 V HA 0.526 4.784 4.120 0.231 0.000 0.263 313 V C 0.521 176.567 176.094 -0.081 0.000 1.442 313 V CA -0.329 61.924 62.300 -0.079 0.000 1.053 313 V CB 0.060 31.841 31.823 -0.071 0.000 0.846 313 V HN 0.817 nan 8.190 nan 0.000 0.440 314 R N 0.203 120.649 120.500 -0.089 0.000 3.886 314 R HA -0.113 4.365 4.340 0.231 0.000 0.485 314 R C 0.782 177.067 176.300 -0.024 0.000 0.294 314 R CA 0.933 56.999 56.100 -0.057 0.000 1.518 314 R CB -1.772 28.481 30.300 -0.079 0.000 1.161 314 R HN 0.775 nan 8.270 nan 0.000 0.516 315 G N 0.473 109.260 108.800 -0.022 0.000 3.126 315 G HA2 0.343 4.441 3.960 0.231 0.000 0.224 315 G HA3 0.343 4.441 3.960 0.231 0.000 0.224 315 G C 0.475 175.297 174.900 -0.131 0.000 1.142 315 G CA -0.155 44.904 45.100 -0.069 0.000 0.759 315 G HN 0.192 nan 8.290 nan 0.000 0.550 316 L N 0.655 121.762 121.223 -0.193 0.000 2.334 316 L HA 0.474 4.953 4.340 0.231 0.000 0.277 316 L C 1.772 178.316 176.870 -0.544 0.000 1.075 316 L CA -0.754 53.774 54.840 -0.520 0.000 0.804 316 L CB 1.841 43.264 42.059 -1.060 0.000 1.174 316 L HN 0.081 nan 8.230 nan 0.000 0.438 317 A N 2.619 125.142 122.820 -0.495 0.000 1.972 317 A HA -0.206 4.253 4.320 0.231 0.000 0.219 317 A C 1.628 179.073 177.584 -0.232 0.000 1.169 317 A CA 1.555 53.426 52.037 -0.276 0.000 0.635 317 A CB -0.593 18.330 19.000 -0.129 0.000 0.810 317 A HN 0.842 nan 8.150 nan 0.000 0.446 318 Y N -3.138 117.008 120.300 -0.256 0.000 2.490 318 Y HA 0.385 5.072 4.550 0.229 0.000 0.281 318 Y C 0.208 176.048 175.900 -0.100 0.000 1.174 318 Y CA -1.568 56.418 58.100 -0.190 0.000 1.295 318 Y CB -1.518 36.798 38.460 -0.239 0.000 1.062 318 Y HN 0.259 nan 8.280 nan 0.000 0.522 319 Y N 1.921 122.306 120.300 0.141 0.000 2.511 319 Y HA 0.175 4.862 4.550 0.229 0.000 0.332 319 Y C 1.555 177.575 175.900 0.200 0.000 1.177 319 Y CA 0.356 58.572 58.100 0.193 0.000 1.422 319 Y CB 1.105 39.598 38.460 0.055 0.000 1.271 319 Y HN 0.237 nan 8.280 nan 0.000 0.550 320 T N -1.793 112.992 114.554 0.386 0.000 2.955 320 T HA 0.374 4.863 4.350 0.231 0.000 0.251 320 T C 0.841 175.678 174.700 0.228 0.000 1.002 320 T CA 0.336 62.608 62.100 0.287 0.000 0.970 320 T CB 0.279 69.268 68.868 0.202 0.000 1.091 320 T HN 0.741 nan 8.240 nan 0.000 0.495 321 G N 1.144 110.069 108.800 0.208 0.000 3.356 321 G HA2 0.654 4.752 3.960 0.231 0.000 0.178 321 G HA3 0.654 4.752 3.960 0.231 0.000 0.178 321 G C -0.694 174.273 174.900 0.112 0.000 1.130 321 G CA -1.160 44.026 45.100 0.144 0.000 0.800 321 G HN 0.390 nan 8.290 nan 0.000 0.669 322 I N 1.129 121.741 120.570 0.071 0.000 2.775 322 I HA 0.217 4.526 4.170 0.231 0.000 0.290 322 I C 0.290 176.398 176.117 -0.015 0.000 1.203 322 I CA 0.272 61.578 61.300 0.010 0.000 1.433 322 I CB 0.785 38.745 38.000 -0.066 0.000 1.354 322 I HN 0.240 nan 8.210 nan 0.000 0.579 323 V N 4.478 124.348 119.914 -0.074 0.000 3.040 323 V HA 0.790 5.048 4.120 0.231 0.000 0.312 323 V C -0.783 175.251 176.094 -0.099 0.000 1.115 323 V CA -0.853 61.295 62.300 -0.254 0.000 0.998 323 V CB 1.860 33.485 31.823 -0.330 0.000 1.042 323 V HN 0.662 nan 8.190 nan 0.000 0.433 324 F N -0.988 118.822 119.950 -0.233 0.000 2.668 324 F HA 0.912 5.577 4.527 0.229 0.000 0.309 324 F C -0.877 174.852 175.800 -0.119 0.000 1.117 324 F CA -0.815 57.092 58.000 -0.154 0.000 0.951 324 F CB 2.016 40.937 39.000 -0.132 0.000 1.323 324 F HN 0.779 nan 8.300 nan 0.000 0.451 325 E N 0.691 120.980 120.200 0.149 0.000 2.291 325 E HA 0.537 5.026 4.350 0.231 0.000 0.276 325 E C -0.926 175.788 176.600 0.190 0.000 0.896 325 E CA -0.915 55.527 56.400 0.070 0.000 0.774 325 E CB 2.129 31.833 29.700 0.007 0.000 1.227 325 E HN 1.158 nan 8.360 nan 0.000 0.413 326 G N 3.230 112.092 108.800 0.103 0.000 2.415 326 G HA2 0.525 4.623 3.960 0.231 0.000 0.269 326 G HA3 0.525 4.623 3.960 0.231 0.000 0.269 326 G C -0.770 174.236 174.900 0.176 0.000 1.209 326 G CA -0.297 44.858 45.100 0.091 0.000 0.835 326 G HN 0.404 nan 8.290 nan 0.000 0.534 327 F N 0.484 120.439 119.950 0.009 0.000 2.645 327 F HA 0.540 5.205 4.527 0.230 0.000 0.310 327 F C -0.613 175.215 175.800 0.048 0.000 1.102 327 F CA -1.697 56.318 58.000 0.025 0.000 0.952 327 F CB 1.667 40.682 39.000 0.025 0.000 1.326 327 F HN 0.495 nan 8.300 nan 0.000 0.456 328 D N 1.737 122.190 120.400 0.088 0.000 2.256 328 D HA 0.203 4.981 4.640 0.231 0.000 0.250 328 D C 0.199 176.551 176.300 0.088 0.000 1.093 328 D CA -0.556 53.457 54.000 0.021 0.000 0.882 328 D CB 1.866 42.809 40.800 0.238 0.000 1.185 328 D HN 0.821 nan 8.370 nan 0.000 0.437 329 R N 1.192 121.659 120.500 -0.056 0.000 2.339 329 R HA -0.034 4.444 4.340 0.231 0.000 0.199 329 R C 0.853 177.217 176.300 0.106 0.000 1.018 329 R CA 0.588 56.729 56.100 0.069 0.000 1.036 329 R CB 0.176 30.452 30.300 -0.041 0.000 0.899 329 R HN 0.615 nan 8.270 nan 0.000 0.473 330 E N -0.313 119.942 120.200 0.092 0.000 2.474 330 E HA 0.072 4.560 4.350 0.231 0.000 0.195 330 E C 0.663 177.291 176.600 0.046 0.000 1.039 330 E CA 0.194 56.629 56.400 0.058 0.000 0.881 330 E CB 0.690 30.415 29.700 0.040 0.000 0.970 330 E HN 0.400 nan 8.360 nan 0.000 0.486 331 G N 2.380 111.239 108.800 0.098 0.000 2.249 331 G HA2 -0.346 3.753 3.960 0.231 0.000 0.273 331 G HA3 -0.346 3.753 3.960 0.231 0.000 0.273 331 G C 0.681 175.565 174.900 -0.026 0.000 1.036 331 G CA 0.879 46.018 45.100 0.065 0.000 0.824 331 G HN 0.256 nan 8.290 nan 0.000 0.504 332 K N -1.618 118.724 120.400 -0.095 0.000 2.348 332 K HA 0.349 4.807 4.320 0.231 0.000 0.194 332 K C 0.431 176.695 176.600 -0.559 0.000 1.052 332 K CA 0.334 56.393 56.287 -0.379 0.000 1.004 332 K CB 0.462 32.614 32.500 -0.580 0.000 0.873 332 K HN 0.396 nan 8.250 nan 0.000 0.523 333 F N 0.727 120.698 119.950 0.035 0.000 2.598 333 F HA 0.407 5.075 4.527 0.234 0.000 0.327 333 F C 0.733 176.552 175.800 0.030 0.000 1.057 333 F CA -1.334 56.684 58.000 0.029 0.000 0.957 333 F CB 1.030 40.048 39.000 0.030 0.000 1.278 333 F HN -0.360 nan 8.300 nan 0.000 0.484 334 R N 0.512 121.151 120.500 0.231 0.000 2.840 334 R HA 0.480 4.959 4.340 0.231 0.000 0.282 334 R C -0.199 176.169 176.300 0.114 0.000 1.133 334 R CA -0.385 55.789 56.100 0.124 0.000 1.208 334 R CB 0.098 30.445 30.300 0.078 0.000 1.160 334 R HN 0.741 nan 8.270 nan 0.000 0.576 335 A N 1.086 123.941 122.820 0.059 0.000 2.565 335 A HA -0.028 4.431 4.320 0.231 0.000 0.237 335 A C 1.179 178.752 177.584 -0.019 0.000 1.053 335 A CA 0.136 52.192 52.037 0.032 0.000 0.755 335 A CB -0.056 18.942 19.000 -0.003 0.000 0.980 335 A HN 0.701 nan 8.150 nan 0.000 0.506 336 L N 1.363 122.541 121.223 -0.075 0.000 2.270 336 L HA 0.086 4.565 4.340 0.231 0.000 0.210 336 L C 0.794 177.387 176.870 -0.461 0.000 1.104 336 L CA 0.996 55.697 54.840 -0.233 0.000 0.804 336 L CB -0.359 41.542 42.059 -0.263 0.000 0.937 336 L HN 1.019 nan 8.230 nan 0.000 0.450 337 C N -3.154 115.942 119.300 -0.340 0.000 3.231 337 C HA 0.835 5.433 4.460 0.231 0.000 0.343 337 C C -0.321 174.577 174.990 -0.153 0.000 1.349 337 C CA -0.430 58.394 59.018 -0.323 0.000 1.209 337 C CB 0.889 28.238 27.740 -0.652 0.000 1.475 337 C HN 0.245 nan 8.230 nan 0.000 0.460 338 G N -0.517 108.220 108.800 -0.106 0.000 2.655 338 G HA2 0.936 5.035 3.960 0.231 0.000 0.296 338 G HA3 0.936 5.035 3.960 0.231 0.000 0.296 338 G C -0.628 174.082 174.900 -0.316 0.000 1.485 338 G CA 0.355 45.321 45.100 -0.223 0.000 0.869 338 G HN 2.537 nan 8.290 nan 0.000 0.540 339 G N -1.298 106.970 108.800 -0.887 0.000 2.494 339 G HA2 1.058 5.157 3.960 0.231 0.000 0.308 339 G HA3 1.058 5.157 3.960 0.231 0.000 0.308 339 G C -0.177 173.913 174.900 -1.350 0.000 1.263 339 G CA 0.519 45.124 45.100 -0.825 0.000 0.840 339 G HN 2.258 nan 8.290 nan 0.000 0.479 340 G N -1.318 107.074 108.800 -0.680 0.000 2.315 340 G HA2 0.537 4.636 3.960 0.231 0.000 0.294 340 G HA3 0.537 4.636 3.960 0.231 0.000 0.294 340 G C -1.310 173.746 174.900 0.261 0.000 1.300 340 G CA -0.330 44.538 45.100 -0.386 0.000 0.843 340 G HN 0.704 nan 8.290 nan 0.000 0.527 341 R N -0.555 120.111 120.500 0.276 0.000 2.390 341 R HA 0.597 5.075 4.340 0.231 0.000 0.291 341 R C -0.814 175.777 176.300 0.486 0.000 1.070 341 R CA -0.612 55.666 56.100 0.297 0.000 1.014 341 R CB 0.409 30.802 30.300 0.155 0.000 1.007 341 R HN 0.841 nan 8.270 nan 0.000 0.466 342 Y N 1.646 122.073 120.300 0.212 0.000 2.563 342 Y HA 0.353 5.041 4.550 0.231 0.000 0.351 342 Y C -0.752 175.160 175.900 0.020 0.000 1.087 342 Y CA -1.020 57.173 58.100 0.154 0.000 1.272 342 Y CB 0.989 39.520 38.460 0.118 0.000 1.095 342 Y HN 0.537 nan 8.280 nan 0.000 0.620 343 D N 1.060 121.469 120.400 0.014 0.000 2.347 343 D HA -0.064 4.714 4.640 0.231 0.000 0.213 343 D C 0.744 177.013 176.300 -0.053 0.000 0.985 343 D CA 0.938 54.894 54.000 -0.073 0.000 0.879 343 D CB 0.280 41.060 40.800 -0.033 0.000 0.919 343 D HN 0.605 nan 8.370 nan 0.000 0.526 344 N N -0.040 118.664 118.700 0.007 0.000 2.322 344 N HA 0.002 4.880 4.740 0.231 0.000 0.181 344 N C 1.657 177.144 175.510 -0.037 0.000 1.088 344 N CA -0.122 52.928 53.050 0.001 0.000 0.885 344 N CB 0.254 38.768 38.487 0.045 0.000 1.013 344 N HN 0.098 nan 8.380 nan 0.000 0.472 345 L N 0.931 122.119 121.223 -0.059 0.000 2.013 345 L HA -0.083 4.396 4.340 0.231 0.000 0.212 345 L C 1.676 178.324 176.870 -0.370 0.000 1.073 345 L CA 1.434 56.136 54.840 -0.230 0.000 0.753 345 L CB -0.592 41.278 42.059 -0.316 0.000 0.890 345 L HN 0.001 nan 8.230 nan 0.000 0.432 346 L N -1.100 119.961 121.223 -0.269 0.000 2.141 346 L HA -0.162 4.317 4.340 0.231 0.000 0.209 346 L C 2.415 179.236 176.870 -0.082 0.000 1.094 346 L CA 1.963 56.676 54.840 -0.212 0.000 0.763 346 L CB -1.214 40.741 42.059 -0.173 0.000 0.908 346 L HN 0.266 nan 8.230 nan 0.000 0.437 347 T N -1.623 112.892 114.554 -0.064 0.000 2.708 347 T HA -0.207 4.282 4.350 0.231 0.000 0.266 347 T C 1.879 176.595 174.700 0.027 0.000 1.037 347 T CA 1.906 63.996 62.100 -0.016 0.000 1.146 347 T CB -0.347 68.511 68.868 -0.016 0.000 0.865 347 T HN 0.317 nan 8.240 nan 0.000 0.435 348 T N 0.894 115.468 114.554 0.032 0.000 2.737 348 T HA -0.129 4.359 4.350 0.231 0.000 0.269 348 T C 1.360 176.205 174.700 0.242 0.000 1.040 348 T CA 1.169 63.335 62.100 0.110 0.000 1.142 348 T CB -0.374 68.553 68.868 0.098 0.000 0.861 348 T HN 0.381 nan 8.240 nan 0.000 0.456 349 Y N 0.251 120.527 120.300 -0.039 0.000 2.529 349 Y HA 0.352 5.039 4.550 0.228 0.000 0.290 349 Y C 1.996 177.868 175.900 -0.047 0.000 1.177 349 Y CA -0.308 57.761 58.100 -0.052 0.000 1.305 349 Y CB -0.337 38.082 38.460 -0.069 0.000 1.047 349 Y HN 0.370 nan 8.280 nan 0.000 0.522 350 G N -0.822 108.044 108.800 0.110 0.000 2.175 350 G HA2 -0.231 3.868 3.960 0.231 0.000 0.182 350 G HA3 -0.231 3.868 3.960 0.231 0.000 0.182 350 G C 0.288 175.202 174.900 0.023 0.000 1.003 350 G CA 0.151 45.277 45.100 0.044 0.000 0.666 350 G HN 0.293 nan 8.290 nan 0.000 0.506 351 S N 1.071 116.783 115.700 0.021 0.000 2.563 351 S HA 0.369 4.977 4.470 0.231 0.000 0.294 351 S C 0.123 174.716 174.600 -0.013 0.000 1.279 351 S CA 0.197 58.392 58.200 -0.008 0.000 1.069 351 S CB 0.987 64.168 63.200 -0.032 0.000 0.828 351 S HN 0.166 nan 8.310 nan 0.000 0.497 352 P HA 0.052 nan 4.420 nan 0.000 0.219 352 P C 0.372 177.660 177.300 -0.021 0.000 1.150 352 P CA 0.803 63.894 63.100 -0.016 0.000 0.814 352 P CB 0.127 31.817 31.700 -0.016 0.000 0.787 353 T N -1.095 113.441 114.554 -0.029 0.000 2.893 353 T HA 0.515 5.004 4.350 0.231 0.000 0.291 353 T C -2.935 171.737 174.700 -0.046 0.000 1.028 353 T CA -2.743 59.336 62.100 -0.035 0.000 0.995 353 T CB 0.867 69.713 68.868 -0.036 0.000 1.051 353 T HN -0.340 nan 8.240 nan 0.000 0.470 354 P HA 0.365 nan 4.420 nan 0.000 0.268 354 P C -0.925 176.327 177.300 -0.081 0.000 1.204 354 P CA -0.005 63.060 63.100 -0.059 0.000 0.768 354 P CB 0.254 31.925 31.700 -0.049 0.000 0.842 355 I N 5.072 125.577 120.570 -0.108 0.000 2.448 355 I HA 0.284 4.593 4.170 0.231 0.000 0.281 355 I C -2.232 173.776 176.117 -0.181 0.000 1.027 355 I CA -2.746 58.469 61.300 -0.141 0.000 1.111 355 I CB 2.056 39.960 38.000 -0.161 0.000 1.236 355 I HN 0.121 nan 8.210 nan 0.000 0.452 356 P HA 0.180 nan 4.420 nan 0.000 0.271 356 P C -0.796 176.326 177.300 -0.296 0.000 1.216 356 P CA -0.142 62.840 63.100 -0.196 0.000 0.776 356 P CB 0.998 32.619 31.700 -0.131 0.000 0.881 357 C N 1.699 120.730 119.300 -0.447 0.000 3.086 357 C HA 0.879 5.478 4.460 0.231 0.000 0.311 357 C C -0.313 174.284 174.990 -0.655 0.000 1.260 357 C CA -0.132 58.479 59.018 -0.678 0.000 1.426 357 C CB 1.734 28.707 27.740 -1.278 0.000 1.826 357 C HN 0.752 nan 8.230 nan 0.000 0.474 358 A N 1.068 123.693 122.820 -0.325 0.000 2.594 358 A HA 1.037 5.495 4.320 0.231 0.000 0.295 358 A C -0.590 177.173 177.584 0.298 0.000 1.071 358 A CA 0.264 52.347 52.037 0.075 0.000 0.685 358 A CB 1.614 20.701 19.000 0.144 0.000 1.285 358 A HN 2.074 nan 8.150 nan 0.000 0.405 359 G N -0.824 108.254 108.800 0.464 0.000 2.441 359 G HA2 0.759 4.857 3.960 0.231 0.000 0.294 359 G HA3 0.759 4.857 3.960 0.231 0.000 0.294 359 G C -1.309 173.792 174.900 0.336 0.000 1.393 359 G CA 0.159 45.458 45.100 0.332 0.000 0.796 359 G HN 2.030 nan 8.290 nan 0.000 0.494 360 F N -1.433 118.588 119.950 0.120 0.000 2.662 360 F HA 0.911 5.577 4.527 0.231 0.000 0.312 360 F C -0.000 175.779 175.800 -0.035 0.000 1.113 360 F CA -1.051 56.954 58.000 0.008 0.000 0.951 360 F CB 1.517 40.565 39.000 0.081 0.000 1.344 360 F HN 0.923 nan 8.300 nan 0.000 0.462 361 G N 0.526 109.526 108.800 0.334 0.000 2.448 361 G HA2 0.616 4.715 3.960 0.231 0.000 0.324 361 G HA3 0.616 4.715 3.960 0.231 0.000 0.324 361 G C -2.450 172.715 174.900 0.442 0.000 1.203 361 G CA -0.856 44.408 45.100 0.274 0.000 0.954 361 G HN 0.874 nan 8.290 nan 0.000 0.480 362 F N 2.101 122.196 119.950 0.242 0.000 2.659 362 F HA 0.531 5.197 4.527 0.232 0.000 0.342 362 F C 0.670 176.614 175.800 0.240 0.000 1.168 362 F CA -0.883 57.265 58.000 0.247 0.000 1.003 362 F CB 1.305 40.516 39.000 0.353 0.000 1.267 362 F HN 0.755 nan 8.300 nan 0.000 0.463 363 G N 3.065 112.169 108.800 0.506 0.000 2.606 363 G HA2 0.085 4.183 3.960 0.231 0.000 0.252 363 G HA3 0.085 4.183 3.960 0.231 0.000 0.252 363 G C 0.400 175.680 174.900 0.633 0.000 1.206 363 G CA -0.097 45.336 45.100 0.554 0.000 0.861 363 G HN 0.754 nan 8.290 nan 0.000 0.561 364 D N -1.033 119.730 120.400 0.604 0.000 2.350 364 D HA -0.063 4.715 4.640 0.231 0.000 0.213 364 D C 1.848 178.378 176.300 0.384 0.000 1.031 364 D CA 0.148 54.486 54.000 0.563 0.000 0.861 364 D CB -0.308 40.867 40.800 0.625 0.000 0.926 364 D HN 0.247 nan 8.370 nan 0.000 0.520 365 C N -0.007 119.479 119.300 0.311 0.000 2.602 365 C HA 0.092 4.690 4.460 0.231 0.000 0.282 365 C C 2.658 177.719 174.990 0.118 0.000 1.313 365 C CA 0.571 59.704 59.018 0.192 0.000 1.699 365 C CB -0.767 27.058 27.740 0.141 0.000 2.124 365 C HN 0.174 nan 8.230 nan 0.000 0.509 366 V N 1.618 121.587 119.914 0.093 0.000 2.255 366 V HA -0.191 4.068 4.120 0.231 0.000 0.247 366 V C 2.328 178.369 176.094 -0.088 0.000 1.051 366 V CA 2.346 64.647 62.300 0.002 0.000 1.018 366 V CB -0.917 30.914 31.823 0.013 0.000 0.641 366 V HN 0.631 nan 8.190 nan 0.000 0.445 367 I N -0.085 120.515 120.570 0.050 0.000 2.248 367 I HA -0.218 4.091 4.170 0.231 0.000 0.248 367 I C 2.208 178.330 176.117 0.008 0.000 1.107 367 I CA 1.602 62.953 61.300 0.086 0.000 1.373 367 I CB -0.247 38.005 38.000 0.420 0.000 1.055 367 I HN 0.083 nan 8.210 nan 0.000 0.418 368 V N 0.217 120.158 119.914 0.045 0.000 2.427 368 V HA -0.245 4.013 4.120 0.231 0.000 0.248 368 V C 2.387 178.449 176.094 -0.053 0.000 1.051 368 V CA 1.981 64.293 62.300 0.021 0.000 1.048 368 V CB -0.697 31.169 31.823 0.071 0.000 0.666 368 V HN 0.456 nan 8.190 nan 0.000 0.456 369 E N -0.272 119.863 120.200 -0.109 0.000 2.077 369 E HA -0.238 4.251 4.350 0.231 0.000 0.193 369 E C 2.106 178.480 176.600 -0.377 0.000 0.989 369 E CA 1.359 57.671 56.400 -0.147 0.000 0.800 369 E CB -0.167 29.482 29.700 -0.085 0.000 0.746 369 E HN 0.437 nan 8.360 nan 0.000 0.452 370 L N 0.912 121.705 121.223 -0.716 0.000 2.005 370 L HA -0.151 4.328 4.340 0.231 0.000 0.207 370 L C 2.037 178.781 176.870 -0.209 0.000 1.072 370 L CA 1.546 55.963 54.840 -0.705 0.000 0.744 370 L CB -0.378 41.297 42.059 -0.639 0.000 0.895 370 L HN 0.102 nan 8.230 nan 0.000 0.433 371 L N -0.799 120.347 121.223 -0.128 0.000 2.042 371 L HA -0.266 4.212 4.340 0.231 0.000 0.210 371 L C 2.677 179.529 176.870 -0.030 0.000 1.076 371 L CA 1.572 56.385 54.840 -0.045 0.000 0.749 371 L CB -0.694 41.357 42.059 -0.013 0.000 0.893 371 L HN 0.427 nan 8.230 nan 0.000 0.432 372 Q N -0.405 119.376 119.800 -0.031 0.000 2.084 372 Q HA -0.257 4.222 4.340 0.231 0.000 0.202 372 Q C 2.189 178.204 176.000 0.026 0.000 0.978 372 Q CA 1.596 57.396 55.803 -0.004 0.000 0.844 372 Q CB -0.134 28.607 28.738 0.006 0.000 0.898 372 Q HN 0.479 nan 8.270 nan 0.000 0.426 373 E N 0.784 121.020 120.200 0.059 0.000 2.077 373 E HA -0.184 4.304 4.350 0.231 0.000 0.193 373 E C 1.141 177.783 176.600 0.070 0.000 0.989 373 E CA 0.837 57.306 56.400 0.115 0.000 0.800 373 E CB 0.260 30.122 29.700 0.270 0.000 0.746 373 E HN 0.070 nan 8.360 nan 0.000 0.452 374 K N 0.486 120.912 120.400 0.044 0.000 2.505 374 K HA 0.035 4.494 4.320 0.231 0.000 0.192 374 K C 0.117 176.723 176.600 0.010 0.000 1.025 374 K CA 0.093 56.396 56.287 0.026 0.000 1.086 374 K CB 0.052 32.562 32.500 0.016 0.000 0.840 374 K HN 0.180 nan 8.250 nan 0.000 0.514 375 R N 0.206 120.710 120.500 0.006 0.000 3.525 375 R HA -0.166 4.313 4.340 0.231 0.000 0.276 375 R C 0.324 176.611 176.300 -0.021 0.000 1.116 375 R CA 0.340 56.435 56.100 -0.008 0.000 0.745 375 R CB -2.365 27.933 30.300 -0.005 0.000 1.185 375 R HN 0.168 nan 8.270 nan 0.000 0.454 376 L N -0.008 121.200 121.223 -0.025 0.000 2.700 376 L HA 0.227 4.706 4.340 0.231 0.000 0.234 376 L C 0.774 177.598 176.870 -0.076 0.000 1.156 376 L CA 0.184 55.004 54.840 -0.033 0.000 0.946 376 L CB 0.429 42.484 42.059 -0.007 0.000 1.216 376 L HN 0.171 nan 8.230 nan 0.000 0.493 377 L N 1.904 123.073 121.223 -0.091 0.000 2.783 377 L HA 0.317 4.795 4.340 0.231 0.000 0.265 377 L C -2.018 174.772 176.870 -0.133 0.000 1.398 377 L CA -1.252 53.495 54.840 -0.154 0.000 0.802 377 L CB 0.714 42.709 42.059 -0.107 0.000 1.126 377 L HN 0.019 nan 8.230 nan 0.000 0.529 378 P HA 0.029 nan 4.420 nan 0.000 0.269 378 P C -0.494 176.740 177.300 -0.109 0.000 1.209 378 P CA -0.203 62.841 63.100 -0.094 0.000 0.776 378 P CB 0.932 32.585 31.700 -0.079 0.000 0.876 379 D N 1.393 121.748 120.400 -0.075 0.000 2.488 379 D HA 0.057 4.835 4.640 0.231 0.000 0.238 379 D C -0.414 175.845 176.300 -0.068 0.000 1.138 379 D CA 0.280 54.240 54.000 -0.067 0.000 0.873 379 D CB -0.038 40.737 40.800 -0.042 0.000 1.183 379 D HN 0.202 nan 8.370 nan 0.000 0.458 380 I N 5.393 125.922 120.570 -0.068 0.000 2.428 380 I HA 0.257 4.566 4.170 0.231 0.000 0.279 380 I C -1.975 174.124 176.117 -0.029 0.000 1.040 380 I CA -2.070 59.197 61.300 -0.055 0.000 1.171 380 I CB 1.430 39.389 38.000 -0.068 0.000 1.312 380 I HN 0.294 nan 8.210 nan 0.000 0.470 381 P HA -0.082 nan 4.420 nan 0.000 0.267 381 P C -0.107 177.206 177.300 0.022 0.000 1.201 381 P CA 0.107 63.211 63.100 0.006 0.000 0.775 381 P CB 0.310 32.008 31.700 -0.004 0.000 0.854 382 H N 1.304 120.347 119.070 -0.043 0.000 2.972 382 H HA 0.195 4.888 4.556 0.229 0.000 0.343 382 H C -0.371 174.928 175.328 -0.047 0.000 1.054 382 H CA 0.146 56.169 56.048 -0.043 0.000 1.412 382 H CB 0.459 30.194 29.762 -0.046 0.000 1.385 382 H HN 0.178 nan 8.280 nan 0.000 0.600 383 V N 2.768 122.299 119.914 -0.639 0.000 3.102 383 V HA 0.729 4.988 4.120 0.231 0.000 0.312 383 V C -0.836 174.921 176.094 -0.562 0.000 1.135 383 V CA -0.861 61.177 62.300 -0.437 0.000 1.022 383 V CB 1.627 33.323 31.823 -0.213 0.000 1.056 383 V HN 0.533 nan 8.190 nan 0.000 0.436 384 V N 0.328 120.079 119.914 -0.272 0.000 3.012 384 V HA 0.478 4.736 4.120 0.231 0.000 0.307 384 V C 0.187 176.233 176.094 -0.079 0.000 1.166 384 V CA -0.159 62.047 62.300 -0.156 0.000 0.974 384 V CB 2.357 34.142 31.823 -0.065 0.000 1.040 384 V HN 1.031 nan 8.190 nan 0.000 0.428 385 D N 1.672 122.045 120.400 -0.045 0.000 2.084 385 D HA 0.019 4.797 4.640 0.231 0.000 0.196 385 D C -0.019 176.278 176.300 -0.004 0.000 0.985 385 D CA 1.608 55.596 54.000 -0.020 0.000 0.826 385 D CB 0.262 41.058 40.800 -0.007 0.000 0.978 385 D HN 0.686 nan 8.370 nan 0.000 0.456 386 D N -0.213 120.190 120.400 0.005 0.000 2.738 386 D HA 0.327 5.106 4.640 0.231 0.000 0.237 386 D C -0.704 175.608 176.300 0.020 0.000 1.123 386 D CA -0.492 53.517 54.000 0.016 0.000 0.856 386 D CB 3.213 44.028 40.800 0.026 0.000 1.552 386 D HN -0.265 nan 8.370 nan 0.000 0.480 387 V N 1.915 121.835 119.914 0.010 0.000 2.384 387 V HA 0.237 4.496 4.120 0.231 0.000 0.287 387 V C 0.123 176.209 176.094 -0.013 0.000 1.020 387 V CA -0.770 61.543 62.300 0.020 0.000 0.850 387 V CB 1.819 33.661 31.823 0.033 0.000 0.987 387 V HN 0.302 nan 8.190 nan 0.000 0.436 388 V N 6.930 126.847 119.914 0.004 0.000 2.432 388 V HA 0.437 4.695 4.120 0.231 0.000 0.275 388 V C -0.004 176.070 176.094 -0.035 0.000 1.043 388 V CA -0.191 62.107 62.300 -0.004 0.000 0.925 388 V CB 1.289 33.122 31.823 0.017 0.000 0.985 388 V HN 0.660 nan 8.190 nan 0.000 0.466 389 I N 7.371 127.910 120.570 -0.051 0.000 2.390 389 I HA 0.362 4.671 4.170 0.231 0.000 0.283 389 I C -2.511 173.600 176.117 -0.010 0.000 1.016 389 I CA -2.074 59.182 61.300 -0.073 0.000 1.151 389 I CB 2.098 39.997 38.000 -0.168 0.000 1.293 389 I HN 0.423 nan 8.210 nan 0.000 0.458 390 P HA 0.035 nan 4.420 nan 0.000 0.271 390 P C 0.457 177.794 177.300 0.061 0.000 1.216 390 P CA -0.139 62.972 63.100 0.018 0.000 0.771 390 P CB 0.571 32.254 31.700 -0.029 0.000 0.864 391 F N 3.081 123.024 119.950 -0.010 0.000 2.171 391 F HA -0.153 4.513 4.527 0.231 0.000 0.300 391 F C 0.443 176.242 175.800 -0.001 0.000 1.090 391 F CA 1.717 59.724 58.000 0.012 0.000 1.293 391 F CB 0.140 39.158 39.000 0.029 0.000 1.013 391 F HN 0.351 nan 8.300 nan 0.000 0.486 392 D N -2.691 117.750 120.400 0.068 0.000 2.768 392 D HA 0.121 4.900 4.640 0.231 0.000 0.327 392 D C 0.460 176.758 176.300 -0.002 0.000 1.302 392 D CA -0.506 53.475 54.000 -0.032 0.000 0.897 392 D CB 0.015 40.830 40.800 0.025 0.000 1.420 392 D HN -0.209 nan 8.370 nan 0.000 0.494 393 E N -0.185 119.998 120.200 -0.028 0.000 2.204 393 E HA -0.111 4.378 4.350 0.231 0.000 0.194 393 E C 1.798 178.368 176.600 -0.050 0.000 0.989 393 E CA 1.469 57.842 56.400 -0.045 0.000 0.824 393 E CB -0.316 29.354 29.700 -0.049 0.000 0.756 393 E HN 0.546 nan 8.360 nan 0.000 0.477 394 S N 0.204 115.889 115.700 -0.024 0.000 2.442 394 S HA -0.101 4.508 4.470 0.231 0.000 0.236 394 S C 1.723 176.262 174.600 -0.102 0.000 1.007 394 S CA 0.727 58.898 58.200 -0.048 0.000 0.965 394 S CB -0.066 63.130 63.200 -0.006 0.000 0.773 394 S HN 0.068 nan 8.310 nan 0.000 0.504 395 M N 1.017 120.581 119.600 -0.060 0.000 2.561 395 M HA 0.285 4.904 4.480 0.231 0.000 0.238 395 M C 1.986 178.178 176.300 -0.179 0.000 1.131 395 M CA 0.298 55.535 55.300 -0.105 0.000 1.046 395 M CB -1.088 31.520 32.600 0.014 0.000 1.532 395 M HN 0.492 nan 8.290 nan 0.000 0.497 396 R N 1.330 121.735 120.500 -0.157 0.000 2.073 396 R HA -0.129 4.350 4.340 0.231 0.000 0.234 396 R C -0.855 175.329 176.300 -0.194 0.000 1.134 396 R CA 1.611 57.625 56.100 -0.143 0.000 0.952 396 R CB -1.024 29.210 30.300 -0.110 0.000 0.850 396 R HN 0.144 nan 8.270 nan 0.000 0.433 397 P HA -0.146 nan 4.420 nan 0.000 0.216 397 P C 0.600 177.713 177.300 -0.312 0.000 1.150 397 P CA 1.346 64.266 63.100 -0.299 0.000 0.837 397 P CB -0.120 31.342 31.700 -0.396 0.000 0.786 398 H N -0.576 118.257 119.070 -0.394 0.000 2.357 398 H HA 0.087 4.781 4.556 0.231 0.000 0.301 398 H C 1.988 177.075 175.328 -0.402 0.000 1.082 398 H CA 1.408 57.037 56.048 -0.700 0.000 1.342 398 H CB -1.087 27.681 29.762 -1.655 0.000 1.389 398 H HN 0.049 nan 8.280 nan 0.000 0.511 399 A N 1.119 123.843 122.820 -0.161 0.000 1.940 399 A HA -0.118 4.341 4.320 0.231 0.000 0.219 399 A C 2.660 180.235 177.584 -0.016 0.000 1.176 399 A CA 1.131 53.137 52.037 -0.051 0.000 0.631 399 A CB -0.887 18.083 19.000 -0.049 0.000 0.814 399 A HN 0.286 nan 8.150 nan 0.000 0.446 400 L N -0.997 120.202 121.223 -0.041 0.000 2.093 400 L HA -0.157 4.321 4.340 0.231 0.000 0.208 400 L C 3.055 179.941 176.870 0.027 0.000 1.085 400 L CA 0.963 55.795 54.840 -0.013 0.000 0.755 400 L CB -0.418 41.620 42.059 -0.034 0.000 0.904 400 L HN 0.429 nan 8.230 nan 0.000 0.435 401 A N -0.585 122.267 122.820 0.053 0.000 1.930 401 A HA -0.124 4.335 4.320 0.231 0.000 0.217 401 A C 2.312 179.979 177.584 0.138 0.000 1.175 401 A CA 1.515 53.621 52.037 0.116 0.000 0.627 401 A CB -0.677 18.446 19.000 0.205 0.000 0.815 401 A HN 0.190 nan 8.150 nan 0.000 0.443 402 V N -0.338 119.668 119.914 0.154 0.000 2.358 402 V HA -0.219 4.040 4.120 0.231 0.000 0.246 402 V C 2.478 178.627 176.094 0.093 0.000 1.047 402 V CA 1.892 64.284 62.300 0.154 0.000 1.035 402 V CB -0.742 31.189 31.823 0.179 0.000 0.658 402 V HN 0.596 nan 8.190 nan 0.000 0.452 403 L N 0.478 121.740 121.223 0.066 0.000 2.017 403 L HA -0.171 4.308 4.340 0.231 0.000 0.208 403 L C 2.588 179.486 176.870 0.045 0.000 1.073 403 L CA 2.219 57.087 54.840 0.047 0.000 0.745 403 L CB -0.648 41.429 42.059 0.030 0.000 0.894 403 L HN 0.254 nan 8.230 nan 0.000 0.432 404 R N -0.082 120.446 120.500 0.047 0.000 2.094 404 R HA -0.221 4.257 4.340 0.231 0.000 0.239 404 R C 2.482 178.810 176.300 0.046 0.000 1.137 404 R CA 2.130 58.257 56.100 0.044 0.000 0.943 404 R CB -0.604 29.724 30.300 0.046 0.000 0.850 404 R HN 0.345 nan 8.270 nan 0.000 0.433 405 R N -0.259 120.276 120.500 0.059 0.000 2.096 405 R HA -0.107 4.372 4.340 0.231 0.000 0.240 405 R C 2.299 178.626 176.300 0.045 0.000 1.139 405 R CA 2.087 58.220 56.100 0.055 0.000 0.952 405 R CB -0.433 29.909 30.300 0.071 0.000 0.854 405 R HN 0.284 nan 8.270 nan 0.000 0.436 406 L N -0.326 120.925 121.223 0.047 0.000 2.017 406 L HA -0.179 4.300 4.340 0.231 0.000 0.208 406 L C 2.609 179.498 176.870 0.031 0.000 1.073 406 L CA 1.551 56.415 54.840 0.039 0.000 0.745 406 L CB -0.375 41.709 42.059 0.042 0.000 0.894 406 L HN 0.186 nan 8.230 nan 0.000 0.432 407 R N -0.202 120.317 120.500 0.031 0.000 2.092 407 R HA -0.137 4.341 4.340 0.231 0.000 0.231 407 R C 1.855 178.169 176.300 0.023 0.000 1.119 407 R CA 1.284 57.400 56.100 0.026 0.000 0.970 407 R CB -0.381 29.934 30.300 0.026 0.000 0.864 407 R HN 0.319 nan 8.270 nan 0.000 0.440 408 D N 0.746 121.162 120.400 0.025 0.000 2.221 408 D HA -0.115 4.664 4.640 0.231 0.000 0.204 408 D C 1.303 177.615 176.300 0.020 0.000 0.982 408 D CA 1.265 55.278 54.000 0.022 0.000 0.857 408 D CB -0.032 40.783 40.800 0.025 0.000 0.934 408 D HN 0.261 nan 8.370 nan 0.000 0.475 409 A N -0.661 122.171 122.820 0.021 0.000 2.278 409 A HA 0.451 4.910 4.320 0.231 0.000 0.212 409 A C 1.703 179.296 177.584 0.015 0.000 1.213 409 A CA 0.895 52.943 52.037 0.018 0.000 0.840 409 A CB -0.156 18.856 19.000 0.020 0.000 0.866 409 A HN 0.225 nan 8.150 nan 0.000 0.489 410 G N -0.627 108.182 108.800 0.015 0.000 2.157 410 G HA2 -0.242 3.857 3.960 0.231 0.000 0.239 410 G HA3 -0.242 3.857 3.960 0.231 0.000 0.239 410 G C 0.316 175.223 174.900 0.011 0.000 0.982 410 G CA 0.163 45.270 45.100 0.012 0.000 0.650 410 G HN 0.636 nan 8.290 nan 0.000 0.527 411 R N 0.663 121.171 120.500 0.014 0.000 2.560 411 R HA 0.543 5.021 4.340 0.231 0.000 0.270 411 R C 0.643 176.950 176.300 0.012 0.000 1.074 411 R CA 0.332 56.439 56.100 0.012 0.000 1.140 411 R CB 0.842 31.151 30.300 0.016 0.000 1.073 411 R HN 0.476 nan 8.270 nan 0.000 0.527 412 S N 0.221 115.925 115.700 0.006 0.000 2.457 412 S HA 0.707 5.315 4.470 0.231 0.000 0.289 412 S C -0.519 174.091 174.600 0.016 0.000 1.163 412 S CA -0.826 57.380 58.200 0.010 0.000 1.078 412 S CB 1.822 65.019 63.200 -0.006 0.000 0.987 412 S HN 0.718 nan 8.310 nan 0.000 0.482 413 A N 2.474 125.313 122.820 0.032 0.000 2.547 413 A HA 0.706 5.164 4.320 0.231 0.000 0.297 413 A C -1.491 176.127 177.584 0.057 0.000 1.056 413 A CA -0.866 51.194 52.037 0.039 0.000 0.688 413 A CB 1.323 20.344 19.000 0.035 0.000 1.282 413 A HN 0.726 nan 8.150 nan 0.000 0.400 414 D N 0.639 121.084 120.400 0.075 0.000 2.272 414 D HA 0.587 5.366 4.640 0.231 0.000 0.247 414 D C -0.681 175.660 176.300 0.067 0.000 0.990 414 D CA 0.013 54.072 54.000 0.100 0.000 0.931 414 D CB 2.208 43.127 40.800 0.199 0.000 1.195 414 D HN 0.546 nan 8.370 nan 0.000 0.477 415 I N 1.098 121.690 120.570 0.037 0.000 2.603 415 I HA 0.255 4.564 4.170 0.231 0.000 0.300 415 I C -0.482 175.598 176.117 -0.062 0.000 1.017 415 I CA -0.891 60.406 61.300 -0.006 0.000 1.098 415 I CB 1.254 39.242 38.000 -0.020 0.000 1.279 415 I HN 0.128 nan 8.210 nan 0.000 0.437 416 I N 7.468 127.975 120.570 -0.105 0.000 2.668 416 I HA -0.040 4.268 4.170 0.231 0.000 0.285 416 I C 0.873 176.888 176.117 -0.170 0.000 1.168 416 I CA 0.653 61.830 61.300 -0.205 0.000 1.424 416 I CB 0.433 38.326 38.000 -0.178 0.000 1.377 416 I HN 0.724 nan 8.210 nan 0.000 0.560 417 L N 3.886 124.986 121.223 -0.206 0.000 2.185 417 L HA 0.090 4.569 4.340 0.231 0.000 0.198 417 L C 0.868 177.664 176.870 -0.123 0.000 1.079 417 L CA 0.632 55.388 54.840 -0.140 0.000 0.780 417 L CB -0.131 41.853 42.059 -0.126 0.000 0.955 417 L HN 0.516 nan 8.230 nan 0.000 0.462 418 D N 0.624 120.940 120.400 -0.139 0.000 2.383 418 D HA 0.076 4.854 4.640 0.231 0.000 0.248 418 D C -0.046 176.190 176.300 -0.107 0.000 1.170 418 D CA -0.144 53.791 54.000 -0.108 0.000 0.977 418 D CB 0.759 41.499 40.800 -0.099 0.000 1.120 418 D HN -0.130 nan 8.370 nan 0.000 0.481 419 K N 1.132 121.480 120.400 -0.086 0.000 2.416 419 K HA 0.073 4.532 4.320 0.231 0.000 0.283 419 K C -0.217 176.331 176.600 -0.087 0.000 1.037 419 K CA 0.193 56.431 56.287 -0.083 0.000 0.995 419 K CB 0.220 32.679 32.500 -0.067 0.000 0.938 419 K HN 0.431 nan 8.250 nan 0.000 0.475 420 K N 2.532 122.875 120.400 -0.095 0.000 2.575 420 K HA 0.295 4.754 4.320 0.231 0.000 0.279 420 K C -1.262 175.284 176.600 -0.091 0.000 0.969 420 K CA -1.156 55.081 56.287 -0.084 0.000 0.868 420 K CB 1.091 33.544 32.500 -0.078 0.000 1.457 420 K HN 0.224 nan 8.250 nan 0.000 0.426 421 K N 0.803 121.159 120.400 -0.075 0.000 2.414 421 K HA 0.034 4.492 4.320 0.231 0.000 0.272 421 K C 1.164 177.735 176.600 -0.048 0.000 0.993 421 K CA -0.316 55.921 56.287 -0.084 0.000 0.964 421 K CB 0.869 33.334 32.500 -0.059 0.000 0.925 421 K HN 0.398 nan 8.250 nan 0.000 0.487 422 V N 2.469 122.349 119.914 -0.058 0.000 2.278 422 V HA -0.264 3.994 4.120 0.231 0.000 0.251 422 V C 2.066 178.290 176.094 0.217 0.000 1.062 422 V CA 1.975 64.313 62.300 0.063 0.000 1.038 422 V CB -0.437 31.433 31.823 0.078 0.000 0.646 422 V HN 0.736 nan 8.190 nan 0.000 0.447 423 V N -0.644 119.354 119.914 0.140 0.000 2.332 423 V HA -0.343 3.915 4.120 0.231 0.000 0.248 423 V C 2.440 178.626 176.094 0.153 0.000 1.055 423 V CA 2.481 64.873 62.300 0.153 0.000 1.038 423 V CB -0.331 31.525 31.823 0.055 0.000 0.651 423 V HN 0.657 nan 8.190 nan 0.000 0.450 424 Q N -0.433 119.420 119.800 0.087 0.000 2.167 424 Q HA -0.098 4.381 4.340 0.231 0.000 0.202 424 Q C 2.344 178.400 176.000 0.092 0.000 0.970 424 Q CA 1.603 57.450 55.803 0.073 0.000 0.855 424 Q CB -0.375 28.378 28.738 0.024 0.000 0.911 424 Q HN 0.764 nan 8.270 nan 0.000 0.438 425 A N 0.098 122.954 122.820 0.061 0.000 1.930 425 A HA -0.147 4.311 4.320 0.231 0.000 0.217 425 A C 1.672 179.253 177.584 -0.005 0.000 1.175 425 A CA 1.005 53.042 52.037 0.000 0.000 0.627 425 A CB -0.605 18.335 19.000 -0.100 0.000 0.815 425 A HN 0.309 nan 8.150 nan 0.000 0.443 426 F N 0.305 120.292 119.950 0.062 0.000 2.234 426 F HA -0.113 4.553 4.527 0.231 0.000 0.299 426 F C 2.321 178.153 175.800 0.052 0.000 1.087 426 F CA 1.329 59.361 58.000 0.052 0.000 1.340 426 F CB -0.310 38.705 39.000 0.026 0.000 1.031 426 F HN 0.344 nan 8.300 nan 0.000 0.500 427 N N -0.364 118.470 118.700 0.223 0.000 2.058 427 N HA -0.297 4.582 4.740 0.231 0.000 0.191 427 N C 2.101 177.684 175.510 0.121 0.000 1.037 427 N CA 1.476 54.612 53.050 0.143 0.000 0.848 427 N CB -0.414 38.144 38.487 0.118 0.000 1.021 427 N HN 0.324 nan 8.380 nan 0.000 0.422 428 Y N 1.636 121.947 120.300 0.020 0.000 2.128 428 Y HA -0.215 4.473 4.550 0.230 0.000 0.284 428 Y C 2.409 178.309 175.900 0.000 0.000 1.154 428 Y CA 1.993 60.093 58.100 -0.000 0.000 1.149 428 Y CB -0.697 37.749 38.460 -0.023 0.000 0.976 428 Y HN 0.162 nan 8.280 nan 0.000 0.505 429 A N -0.231 122.590 122.820 0.001 0.000 1.908 429 A HA -0.279 4.179 4.320 0.231 0.000 0.218 429 A C 1.954 179.487 177.584 -0.086 0.000 1.181 429 A CA 2.217 54.206 52.037 -0.081 0.000 0.627 429 A CB -1.201 17.768 19.000 -0.052 0.000 0.818 429 A HN 0.651 nan 8.150 nan 0.000 0.445 430 D N -1.204 119.187 120.400 -0.016 0.000 2.117 430 D HA -0.139 4.639 4.640 0.231 0.000 0.198 430 D C 2.247 178.509 176.300 -0.064 0.000 0.982 430 D CA 1.078 55.072 54.000 -0.011 0.000 0.828 430 D CB 0.006 40.825 40.800 0.033 0.000 0.967 430 D HN 0.229 nan 8.370 nan 0.000 0.464 431 R N 0.079 120.517 120.500 -0.103 0.000 2.083 431 R HA -0.102 4.377 4.340 0.231 0.000 0.237 431 R C 2.385 178.589 176.300 -0.160 0.000 1.137 431 R CA 1.488 57.515 56.100 -0.122 0.000 0.951 431 R CB -1.058 29.163 30.300 -0.131 0.000 0.851 431 R HN 0.383 nan 8.270 nan 0.000 0.434 432 V N -2.469 117.269 119.914 -0.294 0.000 3.573 432 V HA 0.305 4.563 4.120 0.231 0.000 0.270 432 V C 1.019 177.085 176.094 -0.047 0.000 1.221 432 V CA 0.698 62.885 62.300 -0.187 0.000 1.163 432 V CB -0.445 31.149 31.823 -0.383 0.000 0.847 432 V HN 0.445 nan 8.190 nan 0.000 0.468 433 G N 0.222 108.973 108.800 -0.082 0.000 2.256 433 G HA2 -0.029 4.069 3.960 0.231 0.000 0.272 433 G HA3 -0.029 4.069 3.960 0.231 0.000 0.272 433 G C 0.232 175.085 174.900 -0.079 0.000 1.076 433 G CA 0.203 45.262 45.100 -0.068 0.000 0.882 433 G HN 1.681 nan 8.290 nan 0.000 0.497 434 A N -0.726 122.053 122.820 -0.067 0.000 2.440 434 A HA 0.676 5.135 4.320 0.231 0.000 0.251 434 A C 1.534 179.106 177.584 -0.019 0.000 1.089 434 A CA 0.443 52.453 52.037 -0.045 0.000 0.779 434 A CB 0.896 19.875 19.000 -0.034 0.000 1.022 434 A HN 1.066 nan 8.150 nan 0.000 0.492 435 V N 2.275 122.180 119.914 -0.015 0.000 2.591 435 V HA 0.040 4.298 4.120 0.231 0.000 0.249 435 V C 1.286 177.398 176.094 0.029 0.000 1.053 435 V CA 1.806 64.108 62.300 0.004 0.000 1.068 435 V CB -0.740 31.082 31.823 -0.002 0.000 0.689 435 V HN 0.810 nan 8.190 nan 0.000 0.462 436 R N -0.581 119.937 120.500 0.030 0.000 2.604 436 R HA 0.661 5.140 4.340 0.231 0.000 0.281 436 R C -1.148 175.174 176.300 0.037 0.000 1.020 436 R CA -0.138 55.992 56.100 0.050 0.000 0.899 436 R CB 1.997 32.325 30.300 0.048 0.000 1.205 436 R HN 0.251 nan 8.270 nan 0.000 0.450 437 A N 2.982 125.836 122.820 0.056 0.000 2.304 437 A HA 0.571 5.030 4.320 0.231 0.000 0.323 437 A C -0.922 176.677 177.584 0.025 0.000 1.195 437 A CA -0.558 51.465 52.037 -0.023 0.000 0.826 437 A CB 1.408 20.323 19.000 -0.141 0.000 1.184 437 A HN 0.403 nan 8.150 nan 0.000 0.496 438 V N 3.985 123.898 119.914 -0.001 0.000 2.304 438 V HA 0.277 4.536 4.120 0.231 0.000 0.278 438 V C -0.512 175.608 176.094 0.043 0.000 1.018 438 V CA -0.382 61.947 62.300 0.048 0.000 0.814 438 V CB 0.790 32.649 31.823 0.060 0.000 1.021 438 V HN 0.785 nan 8.190 nan 0.000 0.440 439 L N 7.020 128.295 121.223 0.086 0.000 2.265 439 L HA 0.557 5.035 4.340 0.231 0.000 0.288 439 L C -0.147 176.811 176.870 0.146 0.000 1.058 439 L CA 0.293 55.201 54.840 0.113 0.000 0.809 439 L CB 1.512 43.685 42.059 0.190 0.000 1.179 439 L HN 0.417 nan 8.230 nan 0.000 0.429 440 V N 6.321 126.321 119.914 0.144 0.000 2.277 440 V HA 0.740 4.998 4.120 0.231 0.000 0.269 440 V C 0.467 176.661 176.094 0.167 0.000 1.036 440 V CA -0.139 62.256 62.300 0.159 0.000 0.821 440 V CB 0.194 32.074 31.823 0.095 0.000 1.052 440 V HN 0.956 nan 8.190 nan 0.000 0.462 441 A N 7.029 129.935 122.820 0.143 0.000 2.330 441 A HA 0.896 5.355 4.320 0.231 0.000 0.329 441 A C -1.584 175.991 177.584 -0.016 0.000 1.135 441 A CA -1.782 50.253 52.037 -0.004 0.000 0.817 441 A CB 1.571 20.489 19.000 -0.137 0.000 1.269 441 A HN 0.499 nan 8.150 nan 0.000 0.469 442 P HA -0.217 nan 4.420 nan 0.000 0.215 442 P C 1.194 178.503 177.300 0.016 0.000 1.157 442 P CA 1.753 64.837 63.100 -0.027 0.000 0.868 442 P CB 0.171 31.809 31.700 -0.103 0.000 0.788 443 E N 0.285 120.445 120.200 -0.066 0.000 2.038 443 E HA -0.246 4.243 4.350 0.231 0.000 0.195 443 E C 1.921 178.524 176.600 0.004 0.000 1.000 443 E CA 1.483 57.862 56.400 -0.033 0.000 0.803 443 E CB -0.290 29.374 29.700 -0.061 0.000 0.750 443 E HN 0.060 nan 8.360 nan 0.000 0.448 444 E N 0.501 120.712 120.200 0.018 0.000 2.085 444 E HA -0.181 4.307 4.350 0.231 0.000 0.194 444 E C 1.516 178.140 176.600 0.041 0.000 0.994 444 E CA 1.312 57.733 56.400 0.034 0.000 0.801 444 E CB -0.598 29.140 29.700 0.064 0.000 0.743 444 E HN 0.503 nan 8.360 nan 0.000 0.453 445 W N 1.827 123.081 121.300 -0.076 0.000 2.338 445 W HA -0.219 4.579 4.660 0.231 0.000 0.304 445 W C 1.305 177.753 176.519 -0.118 0.000 1.212 445 W CA 1.607 58.883 57.345 -0.116 0.000 1.264 445 W CB -0.028 29.334 29.460 -0.164 0.000 1.142 445 W HN 0.184 nan 8.180 nan 0.000 0.512 446 E N -0.150 120.061 120.200 0.018 0.000 2.160 446 E HA -0.222 4.266 4.350 0.231 0.000 0.195 446 E C 1.878 178.400 176.600 -0.130 0.000 0.991 446 E CA 1.094 57.465 56.400 -0.048 0.000 0.810 446 E CB -0.214 29.490 29.700 0.008 0.000 0.742 446 E HN 0.322 nan 8.360 nan 0.000 0.466 447 R N -0.545 119.878 120.500 -0.129 0.000 2.334 447 R HA 0.107 4.585 4.340 0.231 0.000 0.220 447 R C 0.890 177.077 176.300 -0.187 0.000 0.917 447 R CA 0.429 56.455 56.100 -0.123 0.000 1.073 447 R CB 0.618 30.875 30.300 -0.071 0.000 1.056 447 R HN 0.158 nan 8.270 nan 0.000 0.506 448 G N 1.629 110.231 108.800 -0.330 0.000 2.198 448 G HA2 -0.295 3.804 3.960 0.231 0.000 0.257 448 G HA3 -0.295 3.804 3.960 0.231 0.000 0.257 448 G C -0.351 174.355 174.900 -0.323 0.000 1.042 448 G CA 0.237 45.082 45.100 -0.426 0.000 0.791 448 G HN 0.420 nan 8.290 nan 0.000 0.502 449 E N -1.548 118.506 120.200 -0.243 0.000 2.359 449 E HA 0.737 5.226 4.350 0.231 0.000 0.266 449 E C 0.123 176.732 176.600 0.014 0.000 0.920 449 E CA -0.701 55.643 56.400 -0.094 0.000 0.788 449 E CB 2.776 32.453 29.700 -0.038 0.000 1.279 449 E HN 0.709 nan 8.360 nan 0.000 0.438 450 V N -2.032 117.924 119.914 0.071 0.000 3.126 450 V HA 0.488 4.747 4.120 0.231 0.000 0.314 450 V C -0.932 175.229 176.094 0.112 0.000 1.138 450 V CA -1.081 61.300 62.300 0.136 0.000 1.034 450 V CB 1.744 33.668 31.823 0.168 0.000 1.075 450 V HN 0.582 nan 8.190 nan 0.000 0.442 451 Q N 0.768 120.641 119.800 0.123 0.000 2.290 451 Q HA 0.688 5.167 4.340 0.231 0.000 0.259 451 Q C -1.288 174.786 176.000 0.124 0.000 0.941 451 Q CA -0.584 55.288 55.803 0.116 0.000 0.912 451 Q CB 2.203 31.009 28.738 0.112 0.000 1.244 451 Q HN 0.678 nan 8.270 nan 0.000 0.441 452 V N 3.277 123.269 119.914 0.130 0.000 2.417 452 V HA 0.388 4.647 4.120 0.231 0.000 0.291 452 V C -0.370 175.804 176.094 0.133 0.000 1.024 452 V CA -0.682 61.698 62.300 0.134 0.000 0.861 452 V CB 1.737 33.642 31.823 0.136 0.000 0.985 452 V HN 0.598 nan 8.190 nan 0.000 0.436 453 K N 4.988 125.471 120.400 0.139 0.000 2.413 453 K HA 0.555 5.014 4.320 0.231 0.000 0.257 453 K C -0.727 175.955 176.600 0.136 0.000 0.946 453 K CA -0.814 55.547 56.287 0.125 0.000 0.823 453 K CB 1.216 33.821 32.500 0.175 0.000 1.109 453 K HN 0.497 nan 8.250 nan 0.000 0.427 454 M N 5.142 124.817 119.600 0.125 0.000 2.200 454 M HA 0.234 4.853 4.480 0.231 0.000 0.355 454 M C -0.135 176.220 176.300 0.091 0.000 1.283 454 M CA -0.008 55.355 55.300 0.104 0.000 1.124 454 M CB -0.015 32.647 32.600 0.105 0.000 1.625 454 M HN 0.559 nan 8.290 nan 0.000 0.463 469 G N 0.450 108.863 108.800 -0.644 0.000 3.445 469 G HA2 0.077 4.176 3.960 0.231 0.000 0.634 469 G HA3 0.077 4.176 3.960 0.231 0.000 0.634 469 G C -0.558 173.922 174.900 -0.700 0.000 0.909 469 G CA 0.040 44.868 45.100 -0.453 0.000 0.740 469 G HN 0.945 nan 8.290 nan 0.000 0.441 470 F N 1.075 121.059 119.950 0.057 0.000 2.556 470 F HA 0.748 5.413 4.527 0.231 0.000 0.314 470 F C 0.631 176.456 175.800 0.041 0.000 1.106 470 F CA -0.534 57.490 58.000 0.040 0.000 0.911 470 F CB 2.117 41.135 39.000 0.030 0.000 1.190 470 F HN 0.902 nan 8.300 nan 0.000 0.448 471 A N 2.301 125.251 122.820 0.217 0.000 2.450 471 A HA 0.638 5.096 4.320 0.231 0.000 0.255 471 A C -0.729 176.920 177.584 0.109 0.000 1.096 471 A CA -0.234 51.878 52.037 0.126 0.000 0.778 471 A CB 0.139 19.189 19.000 0.083 0.000 1.031 471 A HN 0.587 nan 8.150 nan 0.000 0.494 472 V N 4.877 124.839 119.914 0.079 0.000 2.760 472 V HA 0.367 4.625 4.120 0.231 0.000 0.309 472 V C -2.525 173.579 176.094 0.016 0.000 1.077 472 V CA -1.671 60.660 62.300 0.052 0.000 0.910 472 V CB 2.092 33.956 31.823 0.068 0.000 1.008 472 V HN 0.775 nan 8.190 nan 0.000 0.424 473 P HA 0.146 nan 4.420 nan 0.000 0.268 473 P C 0.766 178.044 177.300 -0.036 0.000 1.205 473 P CA -0.166 62.909 63.100 -0.042 0.000 0.771 473 P CB 0.654 32.327 31.700 -0.044 0.000 0.858 474 L N 2.691 123.871 121.223 -0.072 0.000 2.010 474 L HA -0.270 4.208 4.340 0.231 0.000 0.219 474 L C 1.745 178.604 176.870 -0.018 0.000 1.077 474 L CA 2.092 56.904 54.840 -0.046 0.000 0.773 474 L CB -1.237 40.757 42.059 -0.109 0.000 0.892 474 L HN 0.409 nan 8.230 nan 0.000 0.436 475 D N -0.984 119.397 120.400 -0.033 0.000 2.221 475 D HA -0.149 4.629 4.640 0.231 0.000 0.204 475 D C 1.967 178.264 176.300 -0.005 0.000 0.982 475 D CA 0.866 54.855 54.000 -0.018 0.000 0.857 475 D CB -0.079 40.705 40.800 -0.026 0.000 0.934 475 D HN 0.229 nan 8.370 nan 0.000 0.475 476 R N -0.017 120.481 120.500 -0.003 0.000 2.359 476 R HA 0.111 4.589 4.340 0.231 0.000 0.231 476 R C 1.525 177.835 176.300 0.017 0.000 0.913 476 R CA -0.206 55.897 56.100 0.004 0.000 1.075 476 R CB -0.080 30.220 30.300 0.000 0.000 1.087 476 R HN 0.178 nan 8.270 nan 0.000 0.515 477 L N 0.580 121.817 121.223 0.023 0.000 2.141 477 L HA -0.063 4.416 4.340 0.231 0.000 0.209 477 L C 1.121 178.010 176.870 0.032 0.000 1.094 477 L CA 1.300 56.162 54.840 0.036 0.000 0.763 477 L CB -0.165 41.922 42.059 0.046 0.000 0.908 477 L HN -0.069 nan 8.230 nan 0.000 0.437 478 V N 0.000 119.929 119.914 0.024 0.000 2.409 478 V HA 0.000 4.258 4.120 0.231 0.000 0.244 478 V CA 0.000 62.313 62.300 0.021 0.000 1.235 478 V CB 0.000 31.836 31.823 0.022 0.000 1.184 478 V HN 0.000 nan 8.190 nan 0.000 0.556