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 1lxy_1_B DATA FIRST_RESID 2 DATA SEQUENCE SVFDSKFKGI HVYSEIGELE SVLVHEPGRE IDYITPARLD ELLFSAILES DATA SEQUENCE HDARKEHKQF VAELKANDIN VVELIDLVAE TYDLASQEAK DKLIEEFLED DATA SEQUENCE SEPVLSEEHK VVVRNFLKAK KTSRELVEIM MAGITKYDLG IEADHELIVD DATA SEQUENCE PMPNLYFTRD PFASVGNGVT IHYMRYKVRQ RETLFSRFVF SNHPKLINTP DATA SEQUENCE WYYDPSLKLS IEGGDVFIYN NDTLVVGVSE RTDLQTVTLL AKNIVANKEC DATA SEQUENCE EFKRIVAINV PKWTNLMHLD TWLTMLDKDK FLYSPIANDV FKFWDYDLVN DATA SEQUENCE GGAEPQPVEN GLPLEGLLQS IINKKPVLIP IAGEGASQME IERETHFDGT DATA SEQUENCE NYLAIRPGVV IGYSRNEKTN AALEAAGIKV LPFHGNQLSL GMGNARCMSM DATA SEQUENCE PLSRKDVKW 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.590 174.600 -0.017 0.000 1.055 2 S CA 0.000 58.243 58.200 0.071 0.000 1.107 2 S CB 0.000 63.313 63.200 0.188 0.000 0.593 3 V N 0.893 120.715 119.914 -0.153 0.000 2.809 3 V HA 0.355 4.475 4.120 -0.001 0.000 0.256 3 V C 0.646 176.535 176.094 -0.341 0.000 1.080 3 V CA 0.943 63.056 62.300 -0.311 0.000 1.102 3 V CB -1.130 30.387 31.823 -0.510 0.000 0.705 3 V HN 0.549 nan 8.190 nan 0.000 0.475 4 F N 2.702 122.584 119.950 -0.114 0.000 2.394 4 F HA 0.487 5.013 4.527 -0.001 0.000 0.340 4 F C 0.755 176.555 175.800 0.000 0.000 1.105 4 F CA -1.134 56.793 58.000 -0.122 0.000 1.124 4 F CB 0.653 39.592 39.000 -0.101 0.000 1.145 4 F HN 0.208 nan 8.300 nan 0.000 0.505 5 D N 0.125 120.661 120.400 0.226 0.000 2.377 5 D HA 0.049 4.689 4.640 -0.001 0.000 0.245 5 D C 1.134 177.548 176.300 0.190 0.000 1.196 5 D CA -0.330 53.764 54.000 0.158 0.000 0.962 5 D CB 0.501 41.367 40.800 0.110 0.000 1.127 5 D HN 0.450 nan 8.370 nan 0.000 0.471 6 S N 0.093 115.867 115.700 0.124 0.000 2.419 6 S HA -0.265 4.205 4.470 -0.001 0.000 0.235 6 S C 1.304 175.956 174.600 0.087 0.000 1.019 6 S CA 0.950 59.210 58.200 0.100 0.000 0.982 6 S CB -0.452 62.785 63.200 0.061 0.000 0.789 6 S HN 0.486 nan 8.310 nan 0.000 0.490 7 K N 0.798 121.254 120.400 0.093 0.000 2.296 7 K HA 0.264 4.584 4.320 -0.001 0.000 0.200 7 K C 0.384 177.014 176.600 0.051 0.000 1.048 7 K CA -0.043 56.276 56.287 0.054 0.000 0.966 7 K CB -0.588 31.939 32.500 0.046 0.000 0.754 7 K HN 0.452 nan 8.250 nan 0.000 0.466 8 F N 2.340 122.286 119.950 -0.007 0.000 2.571 8 F HA -0.051 4.476 4.527 -0.001 0.000 0.384 8 F C 0.905 176.637 175.800 -0.114 0.000 1.058 8 F CA 0.289 58.255 58.000 -0.056 0.000 1.200 8 F CB 0.642 39.601 39.000 -0.068 0.000 1.077 8 F HN -0.166 nan 8.300 nan 0.000 0.558 9 K N 4.032 123.924 120.400 -0.846 0.000 2.273 9 K HA 0.454 4.774 4.320 -0.001 0.000 0.206 9 K C 0.796 176.901 176.600 -0.826 0.000 1.072 9 K CA 0.771 56.699 56.287 -0.598 0.000 0.953 9 K CB -0.093 32.197 32.500 -0.351 0.000 1.043 9 K HN 0.760 nan 8.250 nan 0.000 0.477 10 G N 0.573 108.688 108.800 -1.142 0.000 2.490 10 G HA2 0.299 4.259 3.960 -0.001 0.000 0.308 10 G HA3 0.299 4.259 3.960 -0.001 0.000 0.308 10 G C -1.370 173.285 174.900 -0.409 0.000 1.286 10 G CA -0.835 43.838 45.100 -0.711 0.000 0.825 10 G HN -0.097 nan 8.290 nan 0.000 0.479 11 I N 1.907 122.521 120.570 0.072 0.000 2.668 11 I HA 0.199 4.369 4.170 -0.001 0.000 0.285 11 I C 0.005 176.273 176.117 0.253 0.000 1.168 11 I CA 0.530 61.984 61.300 0.256 0.000 1.424 11 I CB 0.275 38.447 38.000 0.287 0.000 1.377 11 I HN 0.562 nan 8.210 nan 0.000 0.560 12 H N 6.720 125.900 119.070 0.184 0.000 2.661 12 H HA 0.379 4.935 4.556 -0.001 0.000 0.243 12 H C -1.907 173.594 175.328 0.288 0.000 1.410 12 H CA -0.139 56.069 56.048 0.267 0.000 1.509 12 H CB 0.922 30.805 29.762 0.202 0.000 1.761 12 H HN 0.267 nan 8.280 nan 0.000 0.576 13 V N 5.939 125.867 119.914 0.023 0.000 2.340 13 V HA 0.147 4.267 4.120 -0.001 0.000 0.277 13 V C -0.653 175.410 176.094 -0.051 0.000 1.017 13 V CA -0.384 61.960 62.300 0.073 0.000 0.820 13 V CB 0.658 32.543 31.823 0.104 0.000 1.028 13 V HN 0.550 nan 8.190 nan 0.000 0.436 14 Y N 2.255 122.618 120.300 0.106 0.000 2.681 14 Y HA 0.485 5.035 4.550 -0.000 0.000 0.267 14 Y C 1.090 177.184 175.900 0.323 0.000 1.166 14 Y CA -0.179 58.058 58.100 0.229 0.000 1.209 14 Y CB 0.851 39.370 38.460 0.098 0.000 1.161 14 Y HN 0.699 nan 8.280 nan 0.000 0.534 15 S N -2.518 113.411 115.700 0.382 0.000 2.655 15 S HA 0.350 4.820 4.470 -0.001 0.000 0.266 15 S C -0.012 174.747 174.600 0.265 0.000 1.149 15 S CA -0.871 57.562 58.200 0.388 0.000 0.818 15 S CB 1.703 65.130 63.200 0.379 0.000 1.130 15 S HN -0.028 nan 8.310 nan 0.000 0.476 16 E N 0.282 120.625 120.200 0.240 0.000 2.460 16 E HA 0.254 4.604 4.350 -0.001 0.000 0.200 16 E C 1.341 178.002 176.600 0.102 0.000 1.011 16 E CA 0.704 57.206 56.400 0.170 0.000 0.912 16 E CB 0.283 30.101 29.700 0.197 0.000 0.953 16 E HN 0.726 nan 8.360 nan 0.000 0.494 17 I N -3.637 116.977 120.570 0.074 0.000 4.403 17 I HA 0.370 4.540 4.170 -0.001 0.000 0.331 17 I C 1.150 177.251 176.117 -0.025 0.000 1.327 17 I CA -0.289 61.012 61.300 0.001 0.000 1.175 17 I CB 0.258 38.220 38.000 -0.063 0.000 1.165 17 I HN -0.239 nan 8.210 nan 0.000 0.413 18 G N 2.366 111.164 108.800 -0.005 0.000 2.391 18 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.234 18 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.234 18 G C -0.147 174.765 174.900 0.019 0.000 1.284 18 G CA -0.045 45.049 45.100 -0.011 0.000 0.873 18 G HN 0.527 nan 8.290 nan 0.000 0.549 19 E N 0.401 120.601 120.200 0.000 0.000 2.752 19 E HA -0.074 4.276 4.350 -0.001 0.000 0.241 19 E C 0.298 176.926 176.600 0.046 0.000 1.016 19 E CA -0.469 55.938 56.400 0.013 0.000 0.952 19 E CB 0.141 29.842 29.700 0.001 0.000 0.921 19 E HN 0.314 nan 8.360 nan 0.000 0.515 20 L N 5.614 126.864 121.223 0.046 0.000 2.477 20 L HA -0.025 4.315 4.340 -0.001 0.000 0.272 20 L C 0.631 177.538 176.870 0.062 0.000 1.157 20 L CA 0.972 55.850 54.840 0.063 0.000 0.889 20 L CB 0.632 42.718 42.059 0.044 0.000 1.158 20 L HN 0.655 nan 8.230 nan 0.000 0.473 21 E N 1.522 121.782 120.200 0.099 0.000 2.152 21 E HA 0.123 4.473 4.350 -0.001 0.000 0.195 21 E C -0.076 176.592 176.600 0.112 0.000 0.934 21 E CA 0.198 56.660 56.400 0.104 0.000 0.869 21 E CB 0.435 30.216 29.700 0.135 0.000 0.842 21 E HN 0.563 nan 8.360 nan 0.000 0.472 22 S N 0.499 116.292 115.700 0.155 0.000 2.538 22 S HA 0.530 5.000 4.470 -0.001 0.000 0.288 22 S C -1.399 173.255 174.600 0.089 0.000 1.108 22 S CA -0.648 57.622 58.200 0.117 0.000 0.971 22 S CB 1.869 65.174 63.200 0.176 0.000 1.041 22 S HN 0.019 nan 8.310 nan 0.000 0.483 23 V N 5.140 125.065 119.914 0.018 0.000 2.888 23 V HA 0.707 4.827 4.120 -0.001 0.000 0.309 23 V C -1.516 174.568 176.094 -0.017 0.000 1.114 23 V CA -0.857 61.452 62.300 0.014 0.000 0.940 23 V CB 2.046 33.858 31.823 -0.019 0.000 1.021 23 V HN 0.912 nan 8.190 nan 0.000 0.426 24 L N 7.564 128.800 121.223 0.021 0.000 2.295 24 L HA 0.869 5.208 4.340 -0.001 0.000 0.285 24 L C -0.360 176.539 176.870 0.049 0.000 1.035 24 L CA 0.291 55.145 54.840 0.024 0.000 0.806 24 L CB 1.514 43.629 42.059 0.092 0.000 1.214 24 L HN 0.738 nan 8.230 nan 0.000 0.426 25 V N 1.668 121.622 119.914 0.067 0.000 3.156 25 V HA 0.733 4.852 4.120 -0.001 0.000 0.311 25 V C -1.515 174.711 176.094 0.220 0.000 1.208 25 V CA -0.731 61.674 62.300 0.175 0.000 1.063 25 V CB 1.831 33.757 31.823 0.171 0.000 1.098 25 V HN 0.978 nan 8.190 nan 0.000 0.452 26 H N -0.266 118.889 119.070 0.142 0.000 3.240 26 H HA 0.425 4.980 4.556 -0.001 0.000 0.329 26 H C -0.876 174.240 175.328 -0.354 0.000 1.024 26 H CA -0.012 56.008 56.048 -0.045 0.000 1.487 26 H CB 1.436 31.186 29.762 -0.020 0.000 1.909 26 H HN 1.050 nan 8.280 nan 0.000 0.465 27 E N 6.582 126.154 120.200 -1.045 0.000 2.324 27 E HA 0.170 4.519 4.350 -0.001 0.000 0.271 27 E C -2.174 173.754 176.600 -1.120 0.000 1.028 27 E CA -2.021 53.591 56.400 -1.312 0.000 0.890 27 E CB 0.715 30.018 29.700 -0.662 0.000 1.004 27 E HN 0.402 nan 8.360 nan 0.000 0.431 28 P HA -0.031 nan 4.420 nan 0.000 0.258 28 P C -0.103 176.989 177.300 -0.347 0.000 1.187 28 P CA 0.204 63.011 63.100 -0.488 0.000 0.767 28 P CB 0.882 32.263 31.700 -0.532 0.000 0.770 29 G N 3.644 112.332 108.800 -0.187 0.000 2.582 29 G HA2 0.079 4.039 3.960 -0.001 0.000 0.232 29 G HA3 0.079 4.039 3.960 -0.001 0.000 0.232 29 G C 1.049 175.869 174.900 -0.134 0.000 1.458 29 G CA -0.349 44.677 45.100 -0.124 0.000 1.062 29 G HN 0.370 nan 8.290 nan 0.000 0.566 30 R N 0.516 120.938 120.500 -0.131 0.000 2.193 30 R HA -0.087 4.253 4.340 -0.001 0.000 0.229 30 R C 2.490 178.581 176.300 -0.349 0.000 1.110 30 R CA 1.875 57.827 56.100 -0.248 0.000 0.988 30 R CB -0.262 29.915 30.300 -0.206 0.000 0.871 30 R HN 0.665 nan 8.270 nan 0.000 0.458 31 E N 1.137 121.257 120.200 -0.134 0.000 2.130 31 E HA -0.247 4.102 4.350 -0.001 0.000 0.196 31 E C 1.747 178.289 176.600 -0.096 0.000 0.998 31 E CA 1.892 58.271 56.400 -0.034 0.000 0.806 31 E CB -0.693 29.083 29.700 0.127 0.000 0.738 31 E HN 0.745 nan 8.360 nan 0.000 0.459 32 I N -1.028 119.457 120.570 -0.142 0.000 3.111 32 I HA -0.019 4.150 4.170 -0.001 0.000 0.272 32 I C 0.921 176.885 176.117 -0.254 0.000 1.268 32 I CA 0.966 62.144 61.300 -0.204 0.000 1.467 32 I CB -0.131 37.752 38.000 -0.195 0.000 1.087 32 I HN -0.284 nan 8.210 nan 0.000 0.467 33 D N 0.984 121.180 120.400 -0.340 0.000 2.312 33 D HA -0.084 4.555 4.640 -0.001 0.000 0.211 33 D C 1.539 177.723 176.300 -0.194 0.000 0.964 33 D CA 1.298 55.098 54.000 -0.334 0.000 0.877 33 D CB -0.169 40.364 40.800 -0.445 0.000 0.924 33 D HN 0.601 nan 8.370 nan 0.000 0.515 34 Y N 0.046 120.314 120.300 -0.054 0.000 2.466 34 Y HA 0.239 4.789 4.550 -0.000 0.000 0.272 34 Y C 0.839 176.711 175.900 -0.047 0.000 1.169 34 Y CA -0.713 57.370 58.100 -0.028 0.000 1.285 34 Y CB 0.406 38.871 38.460 0.008 0.000 1.078 34 Y HN -0.220 nan 8.280 nan 0.000 0.523 35 I N 1.992 122.568 120.570 0.010 0.000 2.471 35 I HA 0.038 4.207 4.170 -0.001 0.000 0.286 35 I C 0.457 176.562 176.117 -0.019 0.000 1.079 35 I CA 0.178 61.441 61.300 -0.062 0.000 1.398 35 I CB 0.663 38.502 38.000 -0.269 0.000 1.403 35 I HN 0.081 nan 8.210 nan 0.000 0.530 36 T N 2.700 117.261 114.554 0.012 0.000 2.932 36 T HA 0.416 4.766 4.350 -0.001 0.000 0.289 36 T C -2.054 172.658 174.700 0.019 0.000 1.039 36 T CA -2.027 60.085 62.100 0.020 0.000 1.024 36 T CB 1.930 70.818 68.868 0.034 0.000 1.090 36 T HN 0.193 nan 8.240 nan 0.000 0.496 37 P HA -0.112 nan 4.420 nan 0.000 0.216 37 P C 1.651 178.965 177.300 0.024 0.000 1.157 37 P CA 1.766 64.879 63.100 0.022 0.000 0.880 37 P CB -0.267 31.444 31.700 0.018 0.000 0.791 38 A N -0.610 122.223 122.820 0.022 0.000 2.067 38 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 38 A C 1.886 179.483 177.584 0.021 0.000 1.158 38 A CA 1.216 53.264 52.037 0.019 0.000 0.661 38 A CB -0.734 18.276 19.000 0.016 0.000 0.801 38 A HN 0.165 nan 8.150 nan 0.000 0.452 39 R N -0.838 119.679 120.500 0.029 0.000 2.468 39 R HA 0.377 4.717 4.340 -0.001 0.000 0.280 39 R C 1.063 177.395 176.300 0.054 0.000 0.963 39 R CA -0.256 55.865 56.100 0.035 0.000 1.083 39 R CB -0.077 30.247 30.300 0.041 0.000 1.200 39 R HN 0.407 nan 8.270 nan 0.000 0.541 40 L N 0.918 122.177 121.223 0.059 0.000 1.989 40 L HA -0.259 4.081 4.340 -0.001 0.000 0.211 40 L C 1.590 178.516 176.870 0.093 0.000 1.071 40 L CA 1.565 56.465 54.840 0.100 0.000 0.749 40 L CB -0.271 41.842 42.059 0.089 0.000 0.890 40 L HN 0.211 nan 8.230 nan 0.000 0.431 41 D N -0.560 119.861 120.400 0.035 0.000 2.097 41 D HA -0.237 4.403 4.640 -0.001 0.000 0.195 41 D C 1.968 178.238 176.300 -0.050 0.000 0.989 41 D CA 1.313 55.306 54.000 -0.012 0.000 0.827 41 D CB -0.152 40.630 40.800 -0.029 0.000 0.966 41 D HN 0.413 nan 8.370 nan 0.000 0.456 42 E N 0.651 120.833 120.200 -0.030 0.000 2.058 42 E HA -0.153 4.197 4.350 -0.001 0.000 0.194 42 E C 2.084 178.672 176.600 -0.020 0.000 0.997 42 E CA 0.676 57.045 56.400 -0.052 0.000 0.801 42 E CB -0.080 29.614 29.700 -0.010 0.000 0.746 42 E HN 0.233 nan 8.360 nan 0.000 0.450 43 L N 0.544 121.816 121.223 0.081 0.000 2.610 43 L HA 0.046 4.386 4.340 -0.001 0.000 0.232 43 L C 0.596 177.634 176.870 0.280 0.000 1.149 43 L CA 0.106 55.066 54.840 0.199 0.000 0.872 43 L CB -0.128 42.078 42.059 0.245 0.000 0.992 43 L HN 0.268 nan 8.230 nan 0.000 0.447 44 L N -1.645 119.643 121.223 0.108 0.000 3.754 44 L HA -0.230 4.110 4.340 -0.001 0.000 0.410 44 L C -0.795 175.981 176.870 -0.157 0.000 1.230 44 L CA 0.172 54.981 54.840 -0.052 0.000 0.901 44 L CB -2.513 39.463 42.059 -0.138 0.000 1.982 44 L HN 0.033 nan 8.230 nan 0.000 0.822 45 F N -0.567 119.395 119.950 0.020 0.000 2.532 45 F HA 0.383 4.910 4.527 -0.001 0.000 0.321 45 F C 1.377 177.195 175.800 0.029 0.000 1.089 45 F CA 0.087 58.121 58.000 0.057 0.000 0.926 45 F CB 1.809 40.871 39.000 0.102 0.000 1.168 45 F HN 0.015 nan 8.300 nan 0.000 0.459 46 S N 1.311 117.103 115.700 0.153 0.000 2.461 46 S HA 0.561 5.031 4.470 -0.001 0.000 0.228 46 S C 0.440 175.125 174.600 0.141 0.000 1.005 46 S CA 0.539 58.798 58.200 0.097 0.000 0.942 46 S CB -0.025 63.194 63.200 0.031 0.000 0.776 46 S HN 0.877 nan 8.310 nan 0.000 0.514 47 A N 0.058 123.000 122.820 0.203 0.000 2.567 47 A HA 0.593 4.913 4.320 -0.001 0.000 0.291 47 A C -1.238 176.447 177.584 0.168 0.000 1.048 47 A CA -0.986 51.145 52.037 0.157 0.000 0.661 47 A CB 0.195 19.276 19.000 0.135 0.000 1.288 47 A HN 0.310 nan 8.150 nan 0.000 0.424 48 I N 1.540 122.161 120.570 0.085 0.000 2.452 48 I HA 0.154 4.324 4.170 -0.001 0.000 0.287 48 I C -0.407 175.725 176.117 0.025 0.000 1.079 48 I CA -0.281 61.031 61.300 0.020 0.000 1.387 48 I CB 0.436 38.429 38.000 -0.011 0.000 1.404 48 I HN 0.462 nan 8.210 nan 0.000 0.522 49 L N 6.535 127.763 121.223 0.010 0.000 2.452 49 L HA 0.124 4.464 4.340 -0.001 0.000 0.267 49 L C 0.783 177.622 176.870 -0.051 0.000 1.188 49 L CA 0.393 55.239 54.840 0.010 0.000 0.821 49 L CB 0.048 42.116 42.059 0.016 0.000 1.102 49 L HN 0.498 nan 8.230 nan 0.000 0.470 50 E N 0.985 121.158 120.200 -0.045 0.000 2.105 50 E HA 0.120 4.470 4.350 -0.001 0.000 0.285 50 E C 0.506 177.036 176.600 -0.116 0.000 1.055 50 E CA 0.070 56.429 56.400 -0.068 0.000 0.843 50 E CB 1.065 30.748 29.700 -0.028 0.000 1.067 50 E HN 0.669 nan 8.360 nan 0.000 0.398 51 S N 4.524 120.097 115.700 -0.212 0.000 2.365 51 S HA -0.195 4.274 4.470 -0.001 0.000 0.225 51 S C 1.466 175.915 174.600 -0.253 0.000 1.039 51 S CA 1.112 59.138 58.200 -0.290 0.000 1.033 51 S CB -0.293 62.660 63.200 -0.412 0.000 0.887 51 S HN 0.618 nan 8.310 nan 0.000 0.447 52 H N 1.198 120.223 119.070 -0.074 0.000 2.293 52 H HA -0.044 4.511 4.556 -0.000 0.000 0.300 52 H C 1.973 177.270 175.328 -0.051 0.000 1.082 52 H CA 1.594 57.604 56.048 -0.063 0.000 1.308 52 H CB -0.794 28.938 29.762 -0.050 0.000 1.375 52 H HN 0.327 nan 8.280 nan 0.000 0.495 53 D N 0.468 120.909 120.400 0.068 0.000 2.117 53 D HA -0.071 4.569 4.640 -0.001 0.000 0.197 53 D C 2.307 178.612 176.300 0.009 0.000 0.987 53 D CA 1.239 55.259 54.000 0.033 0.000 0.829 53 D CB -0.335 40.474 40.800 0.014 0.000 0.961 53 D HN 0.335 nan 8.370 nan 0.000 0.460 54 A N 0.820 123.617 122.820 -0.038 0.000 1.883 54 A HA -0.230 4.090 4.320 -0.001 0.000 0.217 54 A C 2.134 179.677 177.584 -0.067 0.000 1.186 54 A CA 1.502 53.494 52.037 -0.075 0.000 0.624 54 A CB -0.446 18.456 19.000 -0.164 0.000 0.822 54 A HN 0.160 nan 8.150 nan 0.000 0.444 55 R N -0.420 120.032 120.500 -0.080 0.000 2.092 55 R HA -0.072 4.267 4.340 -0.001 0.000 0.231 55 R C 2.170 178.479 176.300 0.015 0.000 1.119 55 R CA 1.448 57.508 56.100 -0.068 0.000 0.970 55 R CB -0.273 29.977 30.300 -0.084 0.000 0.864 55 R HN 0.517 nan 8.270 nan 0.000 0.440 56 K N 0.920 121.339 120.400 0.032 0.000 2.057 56 K HA -0.148 4.172 4.320 -0.001 0.000 0.206 56 K C 1.958 178.611 176.600 0.087 0.000 1.050 56 K CA 1.403 57.721 56.287 0.052 0.000 0.935 56 K CB 0.010 32.540 32.500 0.049 0.000 0.715 56 K HN 0.249 nan 8.250 nan 0.000 0.439 57 E N -0.149 120.118 120.200 0.113 0.000 2.077 57 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 57 E C 2.091 178.805 176.600 0.190 0.000 0.989 57 E CA 0.918 57.437 56.400 0.199 0.000 0.800 57 E CB -0.102 29.728 29.700 0.217 0.000 0.746 57 E HN 0.344 nan 8.360 nan 0.000 0.452 58 H N 1.372 120.471 119.070 0.049 0.000 2.387 58 H HA -0.041 4.514 4.556 -0.000 0.000 0.299 58 H C 1.703 177.031 175.328 0.001 0.000 1.090 58 H CA 1.346 57.412 56.048 0.029 0.000 1.332 58 H CB 0.335 30.061 29.762 -0.060 0.000 1.386 58 H HN 0.034 nan 8.280 nan 0.000 0.516 59 K N 0.031 120.486 120.400 0.092 0.000 2.147 59 K HA -0.119 4.201 4.320 -0.001 0.000 0.205 59 K C 2.323 178.894 176.600 -0.049 0.000 1.049 59 K CA 0.937 57.233 56.287 0.016 0.000 0.936 59 K CB 0.160 32.673 32.500 0.021 0.000 0.722 59 K HN 0.317 nan 8.250 nan 0.000 0.446 60 Q N 0.138 119.930 119.800 -0.014 0.000 2.119 60 Q HA -0.125 4.215 4.340 -0.001 0.000 0.201 60 Q C 1.927 177.843 176.000 -0.140 0.000 0.972 60 Q CA 1.232 57.024 55.803 -0.018 0.000 0.847 60 Q CB -0.314 28.482 28.738 0.097 0.000 0.903 60 Q HN 0.393 nan 8.270 nan 0.000 0.433 61 F N 0.907 120.524 119.950 -0.556 0.000 2.069 61 F HA -0.259 4.267 4.527 -0.001 0.000 0.298 61 F C 2.155 177.632 175.800 -0.537 0.000 1.113 61 F CA 1.016 58.443 58.000 -0.955 0.000 1.214 61 F CB 0.046 38.286 39.000 -1.266 0.000 0.978 61 F HN -0.172 nan 8.300 nan 0.000 0.474 62 V N 0.845 120.415 119.914 -0.572 0.000 2.332 62 V HA -0.349 3.771 4.120 -0.001 0.000 0.248 62 V C 2.718 178.614 176.094 -0.330 0.000 1.055 62 V CA 1.775 63.765 62.300 -0.517 0.000 1.038 62 V CB -1.449 30.199 31.823 -0.292 0.000 0.651 62 V HN 0.550 nan 8.190 nan 0.000 0.450 63 A N -0.044 122.646 122.820 -0.218 0.000 1.877 63 A HA -0.276 4.044 4.320 -0.001 0.000 0.216 63 A C 2.201 179.702 177.584 -0.138 0.000 1.186 63 A CA 2.115 54.069 52.037 -0.139 0.000 0.620 63 A CB -0.575 18.376 19.000 -0.082 0.000 0.822 63 A HN 0.553 nan 8.150 nan 0.000 0.443 64 E N 0.257 120.369 120.200 -0.146 0.000 2.085 64 E HA -0.172 4.178 4.350 -0.001 0.000 0.194 64 E C 1.829 178.348 176.600 -0.134 0.000 0.994 64 E CA 1.489 57.830 56.400 -0.099 0.000 0.801 64 E CB -0.466 29.207 29.700 -0.045 0.000 0.743 64 E HN 0.603 nan 8.360 nan 0.000 0.453 65 L N 0.109 121.181 121.223 -0.251 0.000 2.012 65 L HA -0.218 4.122 4.340 -0.001 0.000 0.210 65 L C 2.579 179.352 176.870 -0.162 0.000 1.073 65 L CA 1.768 56.458 54.840 -0.251 0.000 0.748 65 L CB -0.420 41.381 42.059 -0.431 0.000 0.891 65 L HN 0.100 nan 8.230 nan 0.000 0.431 66 K N -0.049 120.254 120.400 -0.161 0.000 2.097 66 K HA -0.119 4.201 4.320 -0.001 0.000 0.206 66 K C 2.106 178.662 176.600 -0.074 0.000 1.049 66 K CA 1.257 57.478 56.287 -0.108 0.000 0.933 66 K CB -0.258 32.179 32.500 -0.104 0.000 0.717 66 K HN 0.283 nan 8.250 nan 0.000 0.442 67 A N 1.433 124.211 122.820 -0.070 0.000 2.178 67 A HA -0.111 4.209 4.320 -0.001 0.000 0.218 67 A C 1.188 178.750 177.584 -0.036 0.000 1.157 67 A CA 1.132 53.142 52.037 -0.045 0.000 0.689 67 A CB -0.193 18.785 19.000 -0.037 0.000 0.787 67 A HN 0.264 nan 8.150 nan 0.000 0.465 68 N N 0.636 119.310 118.700 -0.043 0.000 2.321 68 N HA 0.055 4.795 4.740 -0.001 0.000 0.242 68 N C -0.966 174.528 175.510 -0.028 0.000 1.141 68 N CA 0.167 53.199 53.050 -0.030 0.000 0.864 68 N CB 0.305 38.775 38.487 -0.028 0.000 1.100 68 N HN 0.282 nan 8.380 nan 0.000 0.510 69 D N 0.807 121.188 120.400 -0.030 0.000 2.751 69 D HA -0.188 4.452 4.640 -0.001 0.000 0.233 69 D C -0.065 176.222 176.300 -0.020 0.000 1.149 69 D CA 0.839 54.825 54.000 -0.022 0.000 0.682 69 D CB -1.379 39.414 40.800 -0.011 0.000 1.068 69 D HN 0.464 nan 8.370 nan 0.000 0.429 70 I N 0.787 121.333 120.570 -0.039 0.000 2.392 70 I HA 0.100 4.270 4.170 -0.001 0.000 0.295 70 I C 1.160 177.249 176.117 -0.047 0.000 0.985 70 I CA -0.545 60.733 61.300 -0.038 0.000 1.221 70 I CB 1.399 39.360 38.000 -0.065 0.000 1.366 70 I HN -0.085 nan 8.210 nan 0.000 0.467 71 N N 6.090 124.778 118.700 -0.019 0.000 2.402 71 N HA 0.171 4.910 4.740 -0.001 0.000 0.252 71 N C -1.112 174.357 175.510 -0.069 0.000 1.118 71 N CA -0.353 52.680 53.050 -0.028 0.000 0.945 71 N CB 0.782 39.283 38.487 0.023 0.000 1.147 71 N HN 0.299 nan 8.380 nan 0.000 0.495 72 V N 4.366 124.217 119.914 -0.106 0.000 2.406 72 V HA 0.206 4.325 4.120 -0.001 0.000 0.272 72 V C 0.184 176.189 176.094 -0.149 0.000 1.043 72 V CA -0.617 61.601 62.300 -0.137 0.000 0.915 72 V CB 1.351 33.072 31.823 -0.170 0.000 0.988 72 V HN 0.351 nan 8.190 nan 0.000 0.466 73 V N 4.374 124.190 119.914 -0.163 0.000 2.370 73 V HA 0.359 4.478 4.120 -0.001 0.000 0.283 73 V C 0.041 176.051 176.094 -0.140 0.000 1.023 73 V CA -0.698 61.468 62.300 -0.223 0.000 0.857 73 V CB 1.695 33.301 31.823 -0.361 0.000 0.985 73 V HN 0.962 nan 8.190 nan 0.000 0.443 74 E N 3.933 124.059 120.200 -0.122 0.000 2.194 74 E HA 0.202 4.552 4.350 -0.001 0.000 0.284 74 E C 0.649 177.216 176.600 -0.054 0.000 1.035 74 E CA -0.415 55.956 56.400 -0.048 0.000 0.836 74 E CB 1.319 30.992 29.700 -0.046 0.000 1.070 74 E HN 0.481 nan 8.360 nan 0.000 0.401 75 L N 5.649 126.876 121.223 0.007 0.000 2.021 75 L HA -0.230 4.110 4.340 -0.001 0.000 0.215 75 L C 1.701 178.503 176.870 -0.112 0.000 1.074 75 L CA 1.995 56.806 54.840 -0.048 0.000 0.760 75 L CB -0.496 41.509 42.059 -0.091 0.000 0.889 75 L HN 0.888 nan 8.230 nan 0.000 0.433 76 I N -0.502 120.017 120.570 -0.086 0.000 2.163 76 I HA -0.331 3.839 4.170 -0.001 0.000 0.243 76 I C 2.107 178.168 176.117 -0.095 0.000 1.085 76 I CA 1.721 62.945 61.300 -0.127 0.000 1.347 76 I CB -0.637 37.325 38.000 -0.063 0.000 1.044 76 I HN 0.353 nan 8.210 nan 0.000 0.408 77 D N 0.583 120.935 120.400 -0.081 0.000 2.144 77 D HA -0.160 4.479 4.640 -0.001 0.000 0.200 77 D C 2.054 178.302 176.300 -0.088 0.000 0.978 77 D CA 1.090 55.042 54.000 -0.080 0.000 0.833 77 D CB -0.242 40.500 40.800 -0.096 0.000 0.961 77 D HN 0.215 nan 8.370 nan 0.000 0.470 78 L N 0.929 122.070 121.223 -0.137 0.000 2.046 78 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 78 L C 2.196 179.064 176.870 -0.004 0.000 1.077 78 L CA 1.305 56.042 54.840 -0.172 0.000 0.747 78 L CB -0.455 41.449 42.059 -0.259 0.000 0.896 78 L HN -0.163 nan 8.230 nan 0.000 0.432 79 V N 0.165 120.103 119.914 0.040 0.000 2.358 79 V HA -0.239 3.880 4.120 -0.001 0.000 0.246 79 V C 2.807 179.054 176.094 0.254 0.000 1.047 79 V CA 1.597 64.017 62.300 0.200 0.000 1.035 79 V CB -1.436 30.447 31.823 0.100 0.000 0.658 79 V HN 0.597 nan 8.190 nan 0.000 0.452 80 A N -0.433 122.454 122.820 0.112 0.000 1.930 80 A HA -0.236 4.083 4.320 -0.001 0.000 0.217 80 A C 2.286 179.985 177.584 0.191 0.000 1.175 80 A CA 1.808 53.918 52.037 0.122 0.000 0.627 80 A CB -0.445 18.564 19.000 0.016 0.000 0.815 80 A HN 0.631 nan 8.150 nan 0.000 0.443 81 E N -0.590 119.693 120.200 0.139 0.000 2.047 81 E HA -0.157 4.193 4.350 -0.001 0.000 0.191 81 E C 1.894 178.620 176.600 0.210 0.000 0.987 81 E CA 1.643 58.132 56.400 0.148 0.000 0.799 81 E CB -0.160 29.610 29.700 0.117 0.000 0.752 81 E HN 0.515 nan 8.360 nan 0.000 0.449 82 T N -0.036 114.679 114.554 0.268 0.000 2.788 82 T HA -0.188 4.162 4.350 -0.001 0.000 0.268 82 T C 1.423 176.274 174.700 0.251 0.000 1.044 82 T CA 1.373 63.609 62.100 0.227 0.000 1.139 82 T CB -0.465 68.504 68.868 0.169 0.000 0.867 82 T HN 0.337 nan 8.240 nan 0.000 0.454 83 Y N 2.058 122.562 120.300 0.340 0.000 2.200 83 Y HA -0.146 4.404 4.550 -0.001 0.000 0.290 83 Y C 2.077 178.089 175.900 0.186 0.000 1.137 83 Y CA 1.342 59.672 58.100 0.383 0.000 1.163 83 Y CB -0.271 38.355 38.460 0.278 0.000 0.988 83 Y HN 0.108 nan 8.280 nan 0.000 0.518 84 D N 0.268 120.834 120.400 0.276 0.000 2.182 84 D HA -0.137 4.503 4.640 -0.001 0.000 0.201 84 D C 1.587 177.906 176.300 0.031 0.000 0.986 84 D CA 1.815 55.899 54.000 0.140 0.000 0.847 84 D CB -0.263 40.619 40.800 0.136 0.000 0.942 84 D HN 0.515 nan 8.370 nan 0.000 0.467 85 L N -2.448 118.785 121.223 0.017 0.000 2.667 85 L HA 0.518 4.858 4.340 -0.001 0.000 0.232 85 L C 0.596 177.426 176.870 -0.066 0.000 1.138 85 L CA -0.568 54.252 54.840 -0.033 0.000 0.921 85 L CB -0.252 41.775 42.059 -0.053 0.000 1.180 85 L HN -0.240 nan 8.230 nan 0.000 0.487 86 A N 0.460 123.234 122.820 -0.076 0.000 2.302 86 A HA 0.664 4.984 4.320 -0.001 0.000 0.285 86 A C 0.720 178.247 177.584 -0.095 0.000 1.105 86 A CA 0.141 52.122 52.037 -0.094 0.000 0.816 86 A CB 0.222 19.189 19.000 -0.055 0.000 1.067 86 A HN 0.480 nan 8.150 nan 0.000 0.489 87 S N 0.660 116.321 115.700 -0.064 0.000 2.579 87 S HA 0.093 4.562 4.470 -0.001 0.000 0.275 87 S C 0.915 175.484 174.600 -0.052 0.000 1.345 87 S CA 0.383 58.554 58.200 -0.048 0.000 1.031 87 S CB 0.853 64.037 63.200 -0.027 0.000 0.892 87 S HN 0.781 nan 8.310 nan 0.000 0.529 88 Q N 1.324 121.096 119.800 -0.046 0.000 2.152 88 Q HA -0.218 4.122 4.340 -0.001 0.000 0.206 88 Q C 1.951 177.946 176.000 -0.008 0.000 0.985 88 Q CA 2.555 58.333 55.803 -0.041 0.000 0.863 88 Q CB -0.548 28.178 28.738 -0.020 0.000 0.904 88 Q HN 1.022 nan 8.270 nan 0.000 0.422 89 E N -0.578 119.628 120.200 0.009 0.000 2.106 89 E HA -0.114 4.236 4.350 -0.001 0.000 0.192 89 E C 1.743 178.384 176.600 0.068 0.000 0.984 89 E CA 1.532 57.953 56.400 0.034 0.000 0.806 89 E CB -0.772 28.945 29.700 0.028 0.000 0.750 89 E HN 0.324 nan 8.360 nan 0.000 0.458 90 A N 1.186 124.053 122.820 0.078 0.000 1.902 90 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 90 A C 2.137 179.871 177.584 0.250 0.000 1.181 90 A CA 1.806 53.954 52.037 0.186 0.000 0.623 90 A CB -0.478 18.614 19.000 0.153 0.000 0.818 90 A HN 0.241 nan 8.150 nan 0.000 0.443 91 K N -0.206 120.246 120.400 0.087 0.000 2.032 91 K HA -0.170 4.150 4.320 -0.001 0.000 0.209 91 K C 1.528 178.200 176.600 0.120 0.000 1.048 91 K CA 1.627 57.906 56.287 -0.012 0.000 0.927 91 K CB -0.326 31.985 32.500 -0.316 0.000 0.712 91 K HN 0.463 nan 8.250 nan 0.000 0.441 92 D N 0.578 121.028 120.400 0.083 0.000 2.178 92 D HA -0.142 4.498 4.640 -0.001 0.000 0.202 92 D C 1.763 178.119 176.300 0.094 0.000 0.974 92 D CA 0.993 55.046 54.000 0.088 0.000 0.841 92 D CB -0.035 40.804 40.800 0.065 0.000 0.953 92 D HN 0.185 nan 8.370 nan 0.000 0.478 93 K N 0.452 120.915 120.400 0.105 0.000 2.148 93 K HA -0.113 4.206 4.320 -0.001 0.000 0.204 93 K C 2.113 178.775 176.600 0.103 0.000 1.050 93 K CA 0.358 56.709 56.287 0.108 0.000 0.942 93 K CB -0.058 32.517 32.500 0.125 0.000 0.724 93 K HN -0.015 nan 8.250 nan 0.000 0.446 94 L N 1.426 122.698 121.223 0.082 0.000 2.017 94 L HA -0.126 4.214 4.340 -0.001 0.000 0.208 94 L C 1.882 178.762 176.870 0.016 0.000 1.073 94 L CA 1.609 56.425 54.840 -0.041 0.000 0.745 94 L CB -0.239 41.609 42.059 -0.352 0.000 0.894 94 L HN 0.210 nan 8.230 nan 0.000 0.432 95 I N -0.596 120.004 120.570 0.050 0.000 2.286 95 I HA -0.203 3.967 4.170 -0.001 0.000 0.248 95 I C 2.331 178.544 176.117 0.159 0.000 1.115 95 I CA 0.821 62.176 61.300 0.091 0.000 1.392 95 I CB -0.352 37.694 38.000 0.076 0.000 1.065 95 I HN 0.328 nan 8.210 nan 0.000 0.418 96 E N 0.845 121.116 120.200 0.118 0.000 2.072 96 E HA -0.174 4.176 4.350 -0.001 0.000 0.190 96 E C 2.007 178.669 176.600 0.102 0.000 0.982 96 E CA 1.057 57.521 56.400 0.107 0.000 0.803 96 E CB -0.242 29.508 29.700 0.082 0.000 0.755 96 E HN 0.550 nan 8.360 nan 0.000 0.453 97 E N 0.089 120.349 120.200 0.099 0.000 2.106 97 E HA -0.154 4.196 4.350 -0.001 0.000 0.192 97 E C 1.964 178.608 176.600 0.074 0.000 0.984 97 E CA 0.554 57.000 56.400 0.077 0.000 0.806 97 E CB -0.292 29.454 29.700 0.076 0.000 0.750 97 E HN 0.168 nan 8.360 nan 0.000 0.458 98 F N 1.873 121.799 119.950 -0.040 0.000 2.095 98 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 98 F C 1.989 177.788 175.800 -0.001 0.000 1.104 98 F CA 1.345 59.315 58.000 -0.050 0.000 1.232 98 F CB -0.199 38.768 39.000 -0.055 0.000 0.987 98 F HN -0.111 nan 8.300 nan 0.000 0.475 99 L N 0.024 121.291 121.223 0.073 0.000 2.046 99 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 99 L C 2.449 179.277 176.870 -0.069 0.000 1.077 99 L CA 1.825 56.656 54.840 -0.014 0.000 0.747 99 L CB -0.793 41.331 42.059 0.108 0.000 0.896 99 L HN 0.184 nan 8.230 nan 0.000 0.432 100 E N 0.304 120.488 120.200 -0.025 0.000 2.150 100 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 100 E C 1.319 177.891 176.600 -0.047 0.000 0.985 100 E CA 1.226 57.615 56.400 -0.019 0.000 0.814 100 E CB 0.029 29.736 29.700 0.012 0.000 0.752 100 E HN 0.366 nan 8.360 nan 0.000 0.466 101 D N 0.049 120.397 120.400 -0.086 0.000 2.328 101 D HA 0.015 4.655 4.640 -0.001 0.000 0.221 101 D C 0.098 176.303 176.300 -0.158 0.000 1.072 101 D CA 0.110 54.057 54.000 -0.087 0.000 0.850 101 D CB 0.091 40.855 40.800 -0.060 0.000 0.922 101 D HN 0.051 nan 8.370 nan 0.000 0.516 102 S N 0.956 116.512 115.700 -0.240 0.000 2.566 102 S HA 0.003 4.473 4.470 -0.001 0.000 0.280 102 S C 0.013 174.536 174.600 -0.128 0.000 1.343 102 S CA 0.095 58.127 58.200 -0.281 0.000 1.036 102 S CB 1.058 64.087 63.200 -0.285 0.000 0.866 102 S HN 0.042 nan 8.310 nan 0.000 0.526 103 E N 3.382 123.522 120.200 -0.099 0.000 2.274 103 E HA 0.552 4.902 4.350 -0.001 0.000 0.269 103 E C -2.868 173.725 176.600 -0.012 0.000 0.891 103 E CA -2.170 54.210 56.400 -0.033 0.000 0.784 103 E CB 1.724 31.421 29.700 -0.006 0.000 1.225 103 E HN 0.338 nan 8.360 nan 0.000 0.412 104 P HA 0.059 nan 4.420 nan 0.000 0.273 104 P C -0.575 176.719 177.300 -0.009 0.000 1.250 104 P CA -0.510 62.585 63.100 -0.009 0.000 0.793 104 P CB 0.504 32.189 31.700 -0.025 0.000 1.011 105 V N 1.820 121.727 119.914 -0.011 0.000 2.585 105 V HA -0.009 4.111 4.120 -0.001 0.000 0.296 105 V C 0.550 176.653 176.094 0.016 0.000 1.035 105 V CA 0.223 62.519 62.300 -0.008 0.000 1.084 105 V CB -0.463 31.355 31.823 -0.008 0.000 0.953 105 V HN 0.274 nan 8.190 nan 0.000 0.483 106 L N 5.466 126.703 121.223 0.023 0.000 2.290 106 L HA 0.324 4.663 4.340 -0.001 0.000 0.284 106 L C 0.954 177.849 176.870 0.042 0.000 1.078 106 L CA -0.031 54.849 54.840 0.066 0.000 0.815 106 L CB 1.187 43.288 42.059 0.070 0.000 1.162 106 L HN 0.860 nan 8.230 nan 0.000 0.435 107 S N 1.643 117.359 115.700 0.025 0.000 2.580 107 S HA 0.051 4.520 4.470 -0.001 0.000 0.266 107 S C 0.966 175.556 174.600 -0.017 0.000 1.354 107 S CA -0.614 57.559 58.200 -0.045 0.000 1.008 107 S CB 0.983 64.081 63.200 -0.169 0.000 0.898 107 S HN 0.596 nan 8.310 nan 0.000 0.555 108 E N 1.270 121.455 120.200 -0.024 0.000 2.110 108 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 108 E C 1.995 178.601 176.600 0.010 0.000 0.988 108 E CA 1.433 57.834 56.400 0.001 0.000 0.804 108 E CB -0.410 29.289 29.700 -0.003 0.000 0.745 108 E HN 0.816 nan 8.360 nan 0.000 0.458 109 E N -0.034 120.147 120.200 -0.030 0.000 2.051 109 E HA -0.176 4.174 4.350 -0.001 0.000 0.192 109 E C 2.033 178.687 176.600 0.089 0.000 0.991 109 E CA 0.908 57.303 56.400 -0.008 0.000 0.799 109 E CB -0.320 29.334 29.700 -0.077 0.000 0.748 109 E HN 0.561 nan 8.360 nan 0.000 0.449 110 H N 0.189 119.264 119.070 0.008 0.000 2.462 110 H HA -0.038 4.518 4.556 0.000 0.000 0.292 110 H C 2.195 177.536 175.328 0.022 0.000 1.049 110 H CA 0.825 56.875 56.048 0.004 0.000 1.334 110 H CB 0.201 29.965 29.762 0.002 0.000 1.404 110 H HN -0.037 nan 8.280 nan 0.000 0.544 111 K N 0.776 121.266 120.400 0.151 0.000 2.057 111 K HA -0.113 4.207 4.320 -0.001 0.000 0.207 111 K C 2.018 178.683 176.600 0.108 0.000 1.049 111 K CA 0.959 57.313 56.287 0.113 0.000 0.931 111 K CB -0.011 32.537 32.500 0.079 0.000 0.714 111 K HN 0.012 nan 8.250 nan 0.000 0.440 112 V N 0.356 120.326 119.914 0.094 0.000 2.295 112 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 112 V C 2.235 178.387 176.094 0.096 0.000 1.049 112 V CA 1.665 64.016 62.300 0.084 0.000 1.024 112 V CB -0.194 31.668 31.823 0.065 0.000 0.648 112 V HN 0.177 nan 8.190 nan 0.000 0.447 113 V N -0.284 119.690 119.914 0.099 0.000 2.343 113 V HA -0.228 3.892 4.120 -0.001 0.000 0.247 113 V C 2.394 178.556 176.094 0.113 0.000 1.051 113 V CA 1.983 64.335 62.300 0.087 0.000 1.036 113 V CB -0.467 31.387 31.823 0.053 0.000 0.654 113 V HN 0.411 nan 8.190 nan 0.000 0.451 114 V N -0.027 119.956 119.914 0.116 0.000 2.358 114 V HA -0.242 3.878 4.120 -0.001 0.000 0.246 114 V C 2.550 178.790 176.094 0.243 0.000 1.047 114 V CA 2.320 64.728 62.300 0.179 0.000 1.035 114 V CB -0.801 31.125 31.823 0.172 0.000 0.658 114 V HN 0.503 nan 8.190 nan 0.000 0.452 115 R N 0.679 121.287 120.500 0.179 0.000 2.081 115 R HA -0.214 4.125 4.340 -0.001 0.000 0.235 115 R C 2.320 178.697 176.300 0.128 0.000 1.131 115 R CA 1.977 58.166 56.100 0.150 0.000 0.960 115 R CB -0.467 29.904 30.300 0.117 0.000 0.856 115 R HN 0.610 nan 8.270 nan 0.000 0.436 116 N N 0.267 119.046 118.700 0.132 0.000 2.188 116 N HA -0.211 4.528 4.740 -0.001 0.000 0.184 116 N C 1.722 177.315 175.510 0.138 0.000 1.018 116 N CA 1.353 54.471 53.050 0.113 0.000 0.858 116 N CB -0.246 38.304 38.487 0.104 0.000 0.989 116 N HN 0.251 nan 8.380 nan 0.000 0.426 117 F N 1.800 121.764 119.950 0.023 0.000 2.102 117 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 117 F C 2.231 178.030 175.800 -0.001 0.000 1.105 117 F CA 1.062 59.069 58.000 0.011 0.000 1.239 117 F CB -0.506 38.502 39.000 0.012 0.000 0.991 117 F HN -0.033 nan 8.300 nan 0.000 0.474 118 L N 0.320 121.541 121.223 -0.003 0.000 1.989 118 L HA -0.257 4.082 4.340 -0.001 0.000 0.211 118 L C 2.466 179.230 176.870 -0.177 0.000 1.071 118 L CA 1.887 56.620 54.840 -0.179 0.000 0.749 118 L CB -0.834 41.197 42.059 -0.046 0.000 0.890 118 L HN 0.059 nan 8.230 nan 0.000 0.431 119 K N -0.126 120.238 120.400 -0.059 0.000 2.280 119 K HA -0.110 4.210 4.320 -0.001 0.000 0.202 119 K C 1.867 178.433 176.600 -0.056 0.000 1.047 119 K CA 1.062 57.331 56.287 -0.031 0.000 0.942 119 K CB -0.128 32.385 32.500 0.021 0.000 0.739 119 K HN 0.313 nan 8.250 nan 0.000 0.457 120 A N 0.745 123.507 122.820 -0.096 0.000 2.238 120 A HA 0.005 4.324 4.320 -0.001 0.000 0.208 120 A C 0.112 177.606 177.584 -0.150 0.000 1.177 120 A CA 0.245 52.227 52.037 -0.093 0.000 0.804 120 A CB 0.114 19.078 19.000 -0.059 0.000 0.823 120 A HN -0.048 nan 8.150 nan 0.000 0.482 121 K N 1.317 121.580 120.400 -0.228 0.000 2.416 121 K HA 0.088 4.408 4.320 -0.001 0.000 0.283 121 K C 0.544 177.064 176.600 -0.133 0.000 1.037 121 K CA -0.133 56.014 56.287 -0.234 0.000 0.995 121 K CB 0.777 33.095 32.500 -0.304 0.000 0.938 121 K HN 0.159 nan 8.250 nan 0.000 0.475 122 K N 0.734 121.073 120.400 -0.103 0.000 2.026 122 K HA -0.085 4.234 4.320 -0.001 0.000 0.208 122 K C 1.299 177.871 176.600 -0.046 0.000 1.048 122 K CA 1.354 57.606 56.287 -0.059 0.000 0.929 122 K CB -0.294 32.179 32.500 -0.046 0.000 0.713 122 K HN 0.825 nan 8.250 nan 0.000 0.439 123 T N -3.450 111.064 114.554 -0.066 0.000 2.949 123 T HA 0.293 4.643 4.350 -0.001 0.000 0.287 123 T C 1.174 175.821 174.700 -0.089 0.000 1.034 123 T CA -0.527 61.543 62.100 -0.050 0.000 1.018 123 T CB 2.010 70.852 68.868 -0.044 0.000 1.135 123 T HN -0.063 nan 8.240 nan 0.000 0.532 124 S N -0.455 115.212 115.700 -0.055 0.000 2.356 124 S HA -0.099 4.371 4.470 -0.001 0.000 0.223 124 S C 2.099 176.598 174.600 -0.168 0.000 1.032 124 S CA 1.236 59.367 58.200 -0.116 0.000 1.005 124 S CB -0.573 62.660 63.200 0.055 0.000 0.867 124 S HN 0.736 nan 8.310 nan 0.000 0.449 125 R N 0.512 120.953 120.500 -0.099 0.000 2.096 125 R HA -0.044 4.296 4.340 -0.001 0.000 0.235 125 R C 2.206 178.432 176.300 -0.124 0.000 1.127 125 R CA 1.658 57.698 56.100 -0.101 0.000 0.968 125 R CB -0.171 30.089 30.300 -0.066 0.000 0.861 125 R HN 0.518 nan 8.270 nan 0.000 0.440 126 E N 0.266 120.392 120.200 -0.123 0.000 2.077 126 E HA -0.222 4.128 4.350 -0.001 0.000 0.193 126 E C 1.933 178.427 176.600 -0.177 0.000 0.989 126 E CA 1.086 57.409 56.400 -0.128 0.000 0.800 126 E CB -0.114 29.513 29.700 -0.122 0.000 0.746 126 E HN 0.174 nan 8.360 nan 0.000 0.452 127 L N 0.829 121.909 121.223 -0.238 0.000 1.989 127 L HA -0.186 4.154 4.340 -0.001 0.000 0.211 127 L C 2.252 178.957 176.870 -0.275 0.000 1.071 127 L CA 1.549 56.204 54.840 -0.307 0.000 0.749 127 L CB -0.519 41.277 42.059 -0.438 0.000 0.890 127 L HN -0.058 nan 8.230 nan 0.000 0.431 128 V N -0.039 119.718 119.914 -0.260 0.000 2.287 128 V HA -0.306 3.813 4.120 -0.001 0.000 0.248 128 V C 2.529 178.516 176.094 -0.179 0.000 1.053 128 V CA 2.101 64.272 62.300 -0.216 0.000 1.027 128 V CB -0.765 30.926 31.823 -0.219 0.000 0.646 128 V HN 0.523 nan 8.190 nan 0.000 0.447 129 E N -0.357 119.760 120.200 -0.138 0.000 2.070 129 E HA -0.279 4.070 4.350 -0.001 0.000 0.197 129 E C 2.133 178.718 176.600 -0.024 0.000 1.004 129 E CA 1.773 58.126 56.400 -0.077 0.000 0.805 129 E CB -0.284 29.382 29.700 -0.057 0.000 0.744 129 E HN 0.503 nan 8.360 nan 0.000 0.451 130 I N 0.692 121.246 120.570 -0.027 0.000 2.315 130 I HA -0.221 3.949 4.170 -0.001 0.000 0.248 130 I C 2.074 178.237 176.117 0.076 0.000 1.117 130 I CA 1.335 62.672 61.300 0.062 0.000 1.404 130 I CB -0.023 38.021 38.000 0.074 0.000 1.071 130 I HN 0.117 nan 8.210 nan 0.000 0.419 131 M N -1.224 118.336 119.600 -0.065 0.000 2.229 131 M HA -0.205 4.275 4.480 -0.001 0.000 0.264 131 M C 2.137 178.613 176.300 0.294 0.000 1.063 131 M CA 1.699 56.916 55.300 -0.138 0.000 1.114 131 M CB -0.261 32.126 32.600 -0.355 0.000 1.387 131 M HN 0.236 nan 8.290 nan 0.000 0.420 132 M N -0.935 118.780 119.600 0.192 0.000 2.287 132 M HA 0.014 4.494 4.480 -0.001 0.000 0.266 132 M C 2.439 178.867 176.300 0.213 0.000 1.079 132 M CA 1.113 56.532 55.300 0.197 0.000 1.146 132 M CB -0.366 32.204 32.600 -0.049 0.000 1.374 132 M HN 0.296 nan 8.290 nan 0.000 0.435 133 A N 0.591 123.517 122.820 0.176 0.000 1.902 133 A HA 0.302 4.622 4.320 -0.001 0.000 0.217 133 A C 1.292 179.080 177.584 0.340 0.000 1.181 133 A CA 1.520 53.675 52.037 0.196 0.000 0.623 133 A CB -0.824 18.266 19.000 0.150 0.000 0.818 133 A HN 0.581 nan 8.150 nan 0.000 0.443 134 G N -2.226 106.779 108.800 0.342 0.000 2.555 134 G HA2 0.142 4.102 3.960 -0.001 0.000 0.686 134 G HA3 0.142 4.102 3.960 -0.001 0.000 0.686 134 G C -0.857 174.201 174.900 0.264 0.000 1.275 134 G CA -0.387 44.907 45.100 0.323 0.000 0.871 134 G HN 0.691 nan 8.290 nan 0.000 0.603 135 I N 1.272 121.910 120.570 0.114 0.000 2.499 135 I HA 0.508 4.678 4.170 -0.001 0.000 0.288 135 I C 0.754 176.761 176.117 -0.182 0.000 1.048 135 I CA -0.544 60.752 61.300 -0.006 0.000 1.062 135 I CB 2.411 40.408 38.000 -0.005 0.000 1.238 135 I HN 0.902 nan 8.210 nan 0.000 0.426 136 T N 0.993 115.415 114.554 -0.220 0.000 2.927 136 T HA 0.319 4.669 4.350 -0.001 0.000 0.281 136 T C 0.996 175.465 174.700 -0.385 0.000 0.998 136 T CA -0.813 61.107 62.100 -0.300 0.000 1.019 136 T CB 1.616 70.398 68.868 -0.143 0.000 1.061 136 T HN 0.777 nan 8.240 nan 0.000 0.518 137 K N 0.048 120.115 120.400 -0.555 0.000 2.209 137 K HA -0.147 4.173 4.320 -0.001 0.000 0.204 137 K C 1.411 177.717 176.600 -0.491 0.000 1.048 137 K CA 1.323 57.261 56.287 -0.582 0.000 0.940 137 K CB -0.669 31.432 32.500 -0.665 0.000 0.729 137 K HN 0.740 nan 8.250 nan 0.000 0.451 138 Y N 2.394 122.589 120.300 -0.174 0.000 2.163 138 Y HA -0.152 4.398 4.550 -0.000 0.000 0.288 138 Y C 2.086 177.914 175.900 -0.119 0.000 1.136 138 Y CA 1.030 59.062 58.100 -0.114 0.000 1.147 138 Y CB -0.275 38.141 38.460 -0.073 0.000 0.987 138 Y HN 0.101 nan 8.280 nan 0.000 0.509 139 D N 0.369 120.752 120.400 -0.028 0.000 2.149 139 D HA -0.154 4.486 4.640 -0.001 0.000 0.198 139 D C 1.949 178.069 176.300 -0.300 0.000 0.990 139 D CA 1.343 55.273 54.000 -0.116 0.000 0.839 139 D CB -0.281 40.390 40.800 -0.216 0.000 0.948 139 D HN 0.366 nan 8.370 nan 0.000 0.460 140 L N -0.612 120.366 121.223 -0.407 0.000 2.418 140 L HA 0.142 4.482 4.340 -0.001 0.000 0.218 140 L C 1.463 178.235 176.870 -0.164 0.000 1.125 140 L CA 0.485 55.096 54.840 -0.381 0.000 0.835 140 L CB -0.187 41.623 42.059 -0.415 0.000 0.953 140 L HN 0.088 nan 8.230 nan 0.000 0.454 141 G N 1.764 110.490 108.800 -0.123 0.000 2.182 141 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.248 141 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.248 141 G C 0.119 174.976 174.900 -0.072 0.000 1.042 141 G CA 0.567 45.635 45.100 -0.054 0.000 0.775 141 G HN 0.476 nan 8.290 nan 0.000 0.501 142 I N -4.335 116.154 120.570 -0.135 0.000 3.067 142 I HA 0.907 5.076 4.170 -0.001 0.000 0.312 142 I C -0.346 175.682 176.117 -0.147 0.000 1.073 142 I CA -1.570 59.660 61.300 -0.118 0.000 1.016 142 I CB 1.748 39.672 38.000 -0.127 0.000 1.227 142 I HN -0.161 nan 8.210 nan 0.000 0.456 143 E N 2.201 122.346 120.200 -0.092 0.000 2.266 143 E HA 0.738 5.088 4.350 -0.001 0.000 0.277 143 E C -0.718 175.827 176.600 -0.091 0.000 1.018 143 E CA -0.461 55.885 56.400 -0.091 0.000 0.840 143 E CB 1.845 31.522 29.700 -0.038 0.000 1.082 143 E HN 0.827 nan 8.360 nan 0.000 0.395 144 A N 1.810 124.552 122.820 -0.131 0.000 2.606 144 A HA 0.363 4.683 4.320 -0.001 0.000 0.293 144 A C -0.338 177.210 177.584 -0.061 0.000 1.082 144 A CA -0.707 51.268 52.037 -0.103 0.000 0.685 144 A CB 1.006 19.821 19.000 -0.308 0.000 1.284 144 A HN 0.558 nan 8.150 nan 0.000 0.408 145 D N 0.307 120.749 120.400 0.069 0.000 2.336 145 D HA 0.070 4.710 4.640 -0.001 0.000 0.229 145 D C 0.357 176.754 176.300 0.160 0.000 1.061 145 D CA 0.832 54.891 54.000 0.099 0.000 0.875 145 D CB -0.262 40.600 40.800 0.104 0.000 0.904 145 D HN 0.639 nan 8.370 nan 0.000 0.525 146 H N -2.173 116.860 119.070 -0.063 0.000 3.046 146 H HA 0.371 4.927 4.556 -0.001 0.000 0.363 146 H C -0.096 175.146 175.328 -0.142 0.000 1.203 146 H CA -0.658 55.344 56.048 -0.076 0.000 1.169 146 H CB 0.862 30.592 29.762 -0.054 0.000 1.851 146 H HN -0.167 nan 8.280 nan 0.000 0.546 147 E N 1.272 121.377 120.200 -0.158 0.000 2.112 147 E HA 0.089 4.438 4.350 -0.001 0.000 0.190 147 E C 0.269 176.655 176.600 -0.356 0.000 0.979 147 E CA 0.447 56.669 56.400 -0.296 0.000 0.814 147 E CB 0.433 30.070 29.700 -0.105 0.000 0.762 147 E HN 0.356 nan 8.360 nan 0.000 0.460 148 L N 2.436 123.528 121.223 -0.218 0.000 2.282 148 L HA 0.100 4.440 4.340 -0.001 0.000 0.287 148 L C 0.973 177.761 176.870 -0.136 0.000 1.075 148 L CA -0.568 54.153 54.840 -0.199 0.000 0.839 148 L CB 0.793 42.781 42.059 -0.117 0.000 1.219 148 L HN 0.098 nan 8.230 nan 0.000 0.434 149 I N 2.961 123.366 120.570 -0.275 0.000 2.353 149 I HA -0.043 4.126 4.170 -0.001 0.000 0.248 149 I C 0.795 176.896 176.117 -0.027 0.000 1.119 149 I CA 1.079 62.250 61.300 -0.215 0.000 1.417 149 I CB -0.193 37.586 38.000 -0.369 0.000 1.078 149 I HN 0.201 nan 8.210 nan 0.000 0.421 150 V N 1.805 121.700 119.914 -0.033 0.000 2.525 150 V HA 0.279 4.399 4.120 -0.001 0.000 0.299 150 V C -0.467 175.654 176.094 0.044 0.000 1.034 150 V CA -1.186 61.127 62.300 0.021 0.000 0.863 150 V CB 2.321 34.194 31.823 0.085 0.000 0.999 150 V HN 0.041 nan 8.190 nan 0.000 0.423 151 D N 6.053 126.482 120.400 0.050 0.000 2.378 151 D HA 0.214 4.854 4.640 -0.001 0.000 0.238 151 D C -2.006 174.388 176.300 0.157 0.000 1.180 151 D CA -0.633 53.416 54.000 0.081 0.000 0.895 151 D CB 1.067 41.912 40.800 0.076 0.000 1.192 151 D HN 0.321 nan 8.370 nan 0.000 0.438 152 P HA 0.167 nan 4.420 nan 0.000 0.275 152 P C -0.421 177.022 177.300 0.238 0.000 1.266 152 P CA -0.296 62.970 63.100 0.278 0.000 0.793 152 P CB 0.810 32.711 31.700 0.336 0.000 1.074 153 M N 1.100 120.853 119.600 0.255 0.000 2.854 153 M HA 0.189 4.669 4.480 -0.001 0.000 0.203 153 M C -1.624 174.841 176.300 0.275 0.000 1.069 153 M CA -1.723 53.731 55.300 0.258 0.000 0.803 153 M CB 1.562 34.333 32.600 0.286 0.000 1.380 153 M HN 0.218 nan 8.290 nan 0.000 0.494 154 P HA -0.153 nan 4.420 nan 0.000 0.221 154 P C 0.303 177.944 177.300 0.567 0.000 1.145 154 P CA 1.423 64.738 63.100 0.359 0.000 0.795 154 P CB 0.080 31.934 31.700 0.256 0.000 0.775 155 N N -0.464 118.513 118.700 0.462 0.000 2.398 155 N HA 0.096 4.836 4.740 -0.001 0.000 0.188 155 N C 1.752 177.412 175.510 0.251 0.000 1.122 155 N CA 0.039 53.308 53.050 0.364 0.000 0.866 155 N CB -0.166 38.480 38.487 0.264 0.000 0.970 155 N HN 0.240 nan 8.380 nan 0.000 0.462 156 L N 0.717 122.104 121.223 0.274 0.000 2.129 156 L HA -0.227 4.113 4.340 -0.001 0.000 0.212 156 L C 2.248 179.286 176.870 0.281 0.000 1.087 156 L CA 1.378 56.339 54.840 0.202 0.000 0.757 156 L CB -0.636 41.447 42.059 0.039 0.000 0.896 156 L HN 0.327 nan 8.230 nan 0.000 0.434 157 Y N -2.046 118.374 120.300 0.200 0.000 2.651 157 Y HA -0.092 4.458 4.550 -0.001 0.000 0.296 157 Y C 0.726 176.539 175.900 -0.145 0.000 1.150 157 Y CA -0.059 58.037 58.100 -0.007 0.000 1.348 157 Y CB -1.070 37.236 38.460 -0.257 0.000 0.983 157 Y HN -0.057 nan 8.280 nan 0.000 0.555 158 F N 2.415 122.309 119.950 -0.094 0.000 2.509 158 F HA 0.216 4.742 4.527 -0.001 0.000 0.344 158 F C 1.327 177.105 175.800 -0.037 0.000 1.197 158 F CA -0.399 57.528 58.000 -0.121 0.000 1.294 158 F CB 0.127 38.973 39.000 -0.257 0.000 1.643 158 F HN 0.109 nan 8.300 nan 0.000 0.596 159 T N -2.950 111.687 114.554 0.138 0.000 3.077 159 T HA -0.209 4.141 4.350 -0.001 0.000 0.269 159 T C 2.099 176.745 174.700 -0.089 0.000 1.146 159 T CA 0.644 62.768 62.100 0.040 0.000 1.091 159 T CB -0.208 68.696 68.868 0.060 0.000 0.892 159 T HN 0.310 nan 8.240 nan 0.000 0.533 160 R N 1.984 122.460 120.500 -0.041 0.000 2.148 160 R HA -0.038 4.302 4.340 -0.001 0.000 0.227 160 R C 1.551 177.739 176.300 -0.186 0.000 1.103 160 R CA 1.489 57.507 56.100 -0.137 0.000 0.983 160 R CB -0.610 29.625 30.300 -0.109 0.000 0.874 160 R HN 0.426 nan 8.270 nan 0.000 0.451 161 D N -0.489 119.838 120.400 -0.121 0.000 2.216 161 D HA 0.037 4.677 4.640 -0.001 0.000 0.208 161 D C -0.985 175.362 176.300 0.079 0.000 0.960 161 D CA 0.545 54.490 54.000 -0.093 0.000 0.861 161 D CB -1.057 39.688 40.800 -0.093 0.000 0.985 161 D HN 0.226 nan 8.370 nan 0.000 0.493 162 P HA -0.072 nan 4.420 nan 0.000 0.215 162 P C 0.239 177.577 177.300 0.064 0.000 1.157 162 P CA 1.097 64.278 63.100 0.135 0.000 0.868 162 P CB 0.081 31.883 31.700 0.170 0.000 0.788 163 F N -3.229 116.643 119.950 -0.130 0.000 2.626 163 F HA 0.817 5.344 4.527 -0.001 0.000 0.311 163 F C -1.690 173.998 175.800 -0.187 0.000 1.088 163 F CA -2.145 55.583 58.000 -0.453 0.000 0.949 163 F CB 0.843 39.602 39.000 -0.401 0.000 1.322 163 F HN -0.217 nan 8.300 nan 0.000 0.461 164 A N 1.529 124.329 122.820 -0.033 0.000 2.371 164 A HA 0.713 5.033 4.320 -0.001 0.000 0.311 164 A C -1.016 176.646 177.584 0.129 0.000 1.068 164 A CA -0.842 51.207 52.037 0.020 0.000 0.744 164 A CB 1.120 20.168 19.000 0.081 0.000 1.239 164 A HN 0.804 nan 8.150 nan 0.000 0.435 165 S N 0.572 116.361 115.700 0.149 0.000 2.505 165 S HA 0.428 4.898 4.470 -0.001 0.000 0.276 165 S C -0.231 174.403 174.600 0.057 0.000 1.274 165 S CA -0.243 58.053 58.200 0.160 0.000 1.053 165 S CB 0.688 64.017 63.200 0.216 0.000 0.919 165 S HN 0.638 nan 8.310 nan 0.000 0.490 166 V N 3.804 123.737 119.914 0.032 0.000 2.340 166 V HA 0.596 4.716 4.120 -0.001 0.000 0.277 166 V C 0.941 177.107 176.094 0.120 0.000 1.017 166 V CA 0.191 62.509 62.300 0.030 0.000 0.820 166 V CB 0.087 31.972 31.823 0.103 0.000 1.028 166 V HN 1.187 nan 8.190 nan 0.000 0.436 167 G N 5.377 114.131 108.800 -0.077 0.000 2.601 167 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.306 167 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.306 167 G C 0.630 175.221 174.900 -0.515 0.000 1.172 167 G CA 0.941 45.578 45.100 -0.772 0.000 0.966 167 G HN 1.071 nan 8.290 nan 0.000 0.542 168 N N 0.923 119.579 118.700 -0.074 0.000 2.187 168 N HA 0.450 5.190 4.740 -0.001 0.000 0.212 168 N C 0.883 176.459 175.510 0.109 0.000 1.152 168 N CA 0.527 53.658 53.050 0.134 0.000 0.872 168 N CB 0.779 39.435 38.487 0.281 0.000 1.025 168 N HN 0.902 nan 8.380 nan 0.000 0.514 169 G N 0.267 109.093 108.800 0.043 0.000 2.795 169 G HA2 0.641 4.600 3.960 -0.001 0.000 0.267 169 G HA3 0.641 4.600 3.960 -0.001 0.000 0.267 169 G C -1.304 173.397 174.900 -0.332 0.000 1.362 169 G CA -0.608 44.305 45.100 -0.312 0.000 1.048 169 G HN 0.086 nan 8.290 nan 0.000 0.547 170 V N -0.865 118.692 119.914 -0.594 0.000 3.077 170 V HA 0.690 4.810 4.120 -0.001 0.000 0.299 170 V C -0.993 174.824 176.094 -0.462 0.000 1.276 170 V CA -0.186 61.826 62.300 -0.479 0.000 0.993 170 V CB 2.363 33.680 31.823 -0.844 0.000 1.076 170 V HN 1.299 nan 8.190 nan 0.000 0.434 171 T N 3.989 118.371 114.554 -0.287 0.000 2.791 171 T HA 0.709 5.058 4.350 -0.001 0.000 0.288 171 T C -0.634 173.773 174.700 -0.487 0.000 0.999 171 T CA -0.360 61.641 62.100 -0.166 0.000 0.952 171 T CB 0.912 69.847 68.868 0.111 0.000 0.938 171 T HN 0.537 nan 8.240 nan 0.000 0.444 172 I N 4.109 124.411 120.570 -0.446 0.000 2.312 172 I HA 0.310 4.480 4.170 -0.001 0.000 0.290 172 I C 0.338 176.392 176.117 -0.104 0.000 1.008 172 I CA -0.977 60.035 61.300 -0.479 0.000 1.226 172 I CB 0.726 38.332 38.000 -0.657 0.000 1.371 172 I HN 0.731 nan 8.210 nan 0.000 0.468 173 H N 4.678 123.813 119.070 0.109 0.000 2.547 173 H HA 0.158 4.714 4.556 -0.001 0.000 0.362 173 H C -0.943 174.522 175.328 0.229 0.000 1.181 173 H CA -0.465 55.671 56.048 0.146 0.000 1.376 173 H CB 0.858 30.608 29.762 -0.020 0.000 1.488 173 H HN 0.497 nan 8.280 nan 0.000 0.583 174 Y N 2.564 123.065 120.300 0.335 0.000 2.595 174 Y HA 0.237 4.787 4.550 -0.001 0.000 0.336 174 Y C -0.639 175.336 175.900 0.125 0.000 0.996 174 Y CA -0.998 57.239 58.100 0.227 0.000 1.260 174 Y CB -0.100 38.515 38.460 0.259 0.000 1.108 174 Y HN 0.510 nan 8.280 nan 0.000 0.509 175 M N 4.296 123.708 119.600 -0.313 0.000 2.226 175 M HA 0.147 4.627 4.480 -0.001 0.000 0.324 175 M C 1.484 177.497 176.300 -0.478 0.000 1.112 175 M CA -0.039 55.099 55.300 -0.271 0.000 1.176 175 M CB 0.995 33.535 32.600 -0.100 0.000 1.430 175 M HN 0.635 nan 8.290 nan 0.000 0.462 176 R N 1.280 121.567 120.500 -0.354 0.000 2.081 176 R HA -0.031 4.309 4.340 -0.001 0.000 0.235 176 R C -0.597 175.325 176.300 -0.630 0.000 1.131 176 R CA 1.703 57.480 56.100 -0.540 0.000 0.960 176 R CB 0.015 29.896 30.300 -0.699 0.000 0.856 176 R HN 0.573 nan 8.270 nan 0.000 0.436 177 Y N -0.204 120.039 120.300 -0.095 0.000 2.377 177 Y HA 0.224 4.773 4.550 -0.001 0.000 0.339 177 Y C 0.932 176.804 175.900 -0.048 0.000 1.011 177 Y CA -1.119 56.950 58.100 -0.053 0.000 1.093 177 Y CB 1.705 40.153 38.460 -0.020 0.000 1.201 177 Y HN -0.164 nan 8.280 nan 0.000 0.455 178 K N 1.225 121.712 120.400 0.144 0.000 2.089 178 K HA -0.191 4.129 4.320 -0.001 0.000 0.210 178 K C 1.796 178.452 176.600 0.094 0.000 1.048 178 K CA 1.879 58.217 56.287 0.084 0.000 0.926 178 K CB -0.678 31.872 32.500 0.083 0.000 0.714 178 K HN 0.644 nan 8.250 nan 0.000 0.448 179 V N 0.732 120.721 119.914 0.125 0.000 2.546 179 V HA -0.245 3.875 4.120 -0.001 0.000 0.254 179 V C 1.969 178.149 176.094 0.143 0.000 1.076 179 V CA 2.103 64.479 62.300 0.127 0.000 1.087 179 V CB -0.271 31.628 31.823 0.127 0.000 0.674 179 V HN 0.392 nan 8.190 nan 0.000 0.470 180 R N -1.593 118.990 120.500 0.138 0.000 2.225 180 R HA 0.105 4.445 4.340 -0.001 0.000 0.194 180 R C 2.226 178.583 176.300 0.095 0.000 0.957 180 R CA 0.522 56.701 56.100 0.132 0.000 1.042 180 R CB -0.187 30.191 30.300 0.130 0.000 1.004 180 R HN 0.530 nan 8.270 nan 0.000 0.509 181 Q N 1.006 120.833 119.800 0.044 0.000 2.133 181 Q HA -0.169 4.171 4.340 -0.001 0.000 0.208 181 Q C 1.911 177.944 176.000 0.054 0.000 0.991 181 Q CA 1.725 57.532 55.803 0.007 0.000 0.867 181 Q CB -0.118 28.593 28.738 -0.046 0.000 0.911 181 Q HN 0.249 nan 8.270 nan 0.000 0.417 182 R N 0.492 121.028 120.500 0.060 0.000 2.200 182 R HA -0.166 4.173 4.340 -0.001 0.000 0.234 182 R C 1.818 178.159 176.300 0.067 0.000 1.127 182 R CA 1.186 57.314 56.100 0.046 0.000 0.989 182 R CB -0.164 30.164 30.300 0.046 0.000 0.869 182 R HN 0.421 nan 8.270 nan 0.000 0.459 183 E N -0.034 120.251 120.200 0.142 0.000 2.204 183 E HA -0.121 4.228 4.350 -0.001 0.000 0.194 183 E C 1.706 178.436 176.600 0.216 0.000 0.989 183 E CA 1.553 58.099 56.400 0.242 0.000 0.824 183 E CB -0.013 29.831 29.700 0.241 0.000 0.756 183 E HN 0.439 nan 8.360 nan 0.000 0.477 184 T N -0.431 114.205 114.554 0.137 0.000 3.163 184 T HA -0.054 4.295 4.350 -0.001 0.000 0.260 184 T C 1.750 176.503 174.700 0.089 0.000 1.156 184 T CA 0.209 62.389 62.100 0.133 0.000 1.072 184 T CB -0.073 68.862 68.868 0.112 0.000 0.937 184 T HN 0.037 nan 8.240 nan 0.000 0.528 185 L N 0.053 121.256 121.223 -0.033 0.000 2.056 185 L HA 0.181 4.520 4.340 -0.001 0.000 0.207 185 L C 1.996 178.820 176.870 -0.077 0.000 1.078 185 L CA 1.640 56.400 54.840 -0.134 0.000 0.749 185 L CB -0.615 41.216 42.059 -0.379 0.000 0.901 185 L HN 0.281 nan 8.230 nan 0.000 0.433 186 F N -0.998 119.069 119.950 0.195 0.000 2.206 186 F HA -0.110 4.416 4.527 -0.000 0.000 0.298 186 F C 2.509 178.466 175.800 0.261 0.000 1.090 186 F CA 1.057 59.192 58.000 0.225 0.000 1.323 186 F CB -0.744 38.347 39.000 0.150 0.000 1.028 186 F HN -0.001 nan 8.300 nan 0.000 0.492 187 S N 0.246 116.174 115.700 0.379 0.000 2.348 187 S HA -0.179 4.291 4.470 -0.001 0.000 0.221 187 S C 2.023 176.732 174.600 0.181 0.000 1.033 187 S CA 1.177 59.534 58.200 0.261 0.000 1.010 187 S CB -0.343 62.990 63.200 0.221 0.000 0.891 187 S HN 0.304 nan 8.310 nan 0.000 0.442 188 R N -0.338 120.259 120.500 0.162 0.000 2.096 188 R HA -0.063 4.277 4.340 -0.001 0.000 0.235 188 R C 2.072 178.612 176.300 0.400 0.000 1.127 188 R CA 1.353 57.607 56.100 0.256 0.000 0.968 188 R CB -0.432 30.054 30.300 0.310 0.000 0.861 188 R HN 0.370 nan 8.270 nan 0.000 0.440 189 F N 1.289 121.374 119.950 0.225 0.000 2.102 189 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 189 F C 2.255 178.188 175.800 0.221 0.000 1.105 189 F CA 1.566 59.700 58.000 0.224 0.000 1.239 189 F CB -0.452 38.683 39.000 0.226 0.000 0.991 189 F HN -0.173 nan 8.300 nan 0.000 0.474 190 V N -2.201 117.827 119.914 0.191 0.000 2.427 190 V HA -0.227 3.893 4.120 -0.001 0.000 0.248 190 V C 2.204 178.255 176.094 -0.072 0.000 1.051 190 V CA 1.729 64.027 62.300 -0.004 0.000 1.048 190 V CB -1.520 30.289 31.823 -0.023 0.000 0.666 190 V HN 0.241 nan 8.190 nan 0.000 0.456 191 F N 1.261 121.222 119.950 0.018 0.000 2.325 191 F HA 0.063 4.590 4.527 -0.001 0.000 0.299 191 F C 2.607 178.539 175.800 0.221 0.000 1.090 191 F CA 1.616 59.674 58.000 0.095 0.000 1.392 191 F CB -0.232 38.766 39.000 -0.003 0.000 1.053 191 F HN 0.109 nan 8.300 nan 0.000 0.521 192 S N -0.681 115.235 115.700 0.360 0.000 2.528 192 S HA 0.019 4.489 4.470 -0.001 0.000 0.219 192 S C 1.415 176.020 174.600 0.010 0.000 0.985 192 S CA 0.466 58.789 58.200 0.204 0.000 0.914 192 S CB -0.079 63.245 63.200 0.207 0.000 0.776 192 S HN 0.404 nan 8.310 nan 0.000 0.526 193 N N -0.341 118.304 118.700 -0.092 0.000 2.272 193 N HA 0.050 4.790 4.740 -0.001 0.000 0.228 193 N C -0.094 175.346 175.510 -0.118 0.000 1.206 193 N CA 0.047 52.986 53.050 -0.185 0.000 0.855 193 N CB 0.224 38.430 38.487 -0.468 0.000 1.248 193 N HN 0.351 nan 8.380 nan 0.000 0.476 194 H N 3.073 122.067 119.070 -0.126 0.000 2.803 194 H HA 0.134 4.690 4.556 -0.001 0.000 0.330 194 H C -1.495 173.821 175.328 -0.021 0.000 1.057 194 H CA -0.947 55.071 56.048 -0.050 0.000 1.458 194 H CB 1.622 31.383 29.762 -0.003 0.000 1.470 194 H HN -0.089 nan 8.280 nan 0.000 0.560 195 P HA -0.254 nan 4.420 nan 0.000 0.216 195 P C 0.865 178.181 177.300 0.027 0.000 1.157 195 P CA 1.730 64.741 63.100 -0.149 0.000 0.880 195 P CB 0.279 31.844 31.700 -0.225 0.000 0.791 196 K N -1.121 119.417 120.400 0.231 0.000 2.504 196 K HA 0.069 4.388 4.320 -0.001 0.000 0.195 196 K C 1.638 178.289 176.600 0.086 0.000 1.036 196 K CA 0.844 57.215 56.287 0.140 0.000 0.984 196 K CB -0.240 32.287 32.500 0.046 0.000 0.788 196 K HN 0.327 nan 8.250 nan 0.000 0.488 197 L N -0.777 120.518 121.223 0.120 0.000 2.749 197 L HA 0.216 4.556 4.340 -0.001 0.000 0.242 197 L C 1.983 178.940 176.870 0.146 0.000 1.103 197 L CA -0.101 54.760 54.840 0.033 0.000 0.906 197 L CB -0.031 41.850 42.059 -0.295 0.000 1.228 197 L HN -0.087 nan 8.230 nan 0.000 0.517 198 I N 1.338 121.976 120.570 0.115 0.000 2.248 198 I HA -0.322 3.848 4.170 -0.001 0.000 0.248 198 I C 1.916 178.107 176.117 0.123 0.000 1.107 198 I CA 1.488 62.859 61.300 0.118 0.000 1.373 198 I CB 0.075 38.100 38.000 0.042 0.000 1.055 198 I HN 0.383 nan 8.210 nan 0.000 0.418 199 N N 0.264 119.023 118.700 0.098 0.000 2.515 199 N HA -0.030 4.710 4.740 -0.001 0.000 0.185 199 N C 0.259 175.846 175.510 0.129 0.000 1.109 199 N CA 0.471 53.571 53.050 0.083 0.000 0.903 199 N CB -0.471 38.047 38.487 0.051 0.000 0.969 199 N HN 0.309 nan 8.380 nan 0.000 0.450 200 T N 3.542 118.226 114.554 0.215 0.000 2.829 200 T HA 0.125 4.474 4.350 -0.001 0.000 0.293 200 T C -2.280 172.577 174.700 0.262 0.000 0.970 200 T CA -0.698 61.557 62.100 0.260 0.000 1.168 200 T CB 0.917 70.055 68.868 0.449 0.000 0.911 200 T HN 0.079 nan 8.240 nan 0.000 0.535 201 P HA 0.281 nan 4.420 nan 0.000 0.277 201 P C -0.979 176.385 177.300 0.106 0.000 1.240 201 P CA -0.632 62.530 63.100 0.104 0.000 0.798 201 P CB 0.511 32.264 31.700 0.089 0.000 0.979 202 W N 1.752 122.917 121.300 -0.226 0.000 2.475 202 W HA 0.360 5.019 4.660 -0.001 0.000 0.317 202 W C 0.343 176.818 176.519 -0.074 0.000 1.046 202 W CA -0.158 57.033 57.345 -0.257 0.000 1.215 202 W CB -0.076 29.297 29.460 -0.145 0.000 1.335 202 W HN 0.532 nan 8.180 nan 0.000 0.471 203 Y N 1.168 121.598 120.300 0.217 0.000 2.457 203 Y HA 0.157 4.707 4.550 -0.001 0.000 0.263 203 Y C -0.014 176.029 175.900 0.238 0.000 1.164 203 Y CA -0.065 58.143 58.100 0.180 0.000 1.274 203 Y CB 0.621 39.160 38.460 0.132 0.000 1.097 203 Y HN 0.250 nan 8.280 nan 0.000 0.523 204 Y N 1.134 121.560 120.300 0.210 0.000 2.620 204 Y HA 0.225 4.774 4.550 -0.001 0.000 0.331 204 Y C -1.770 174.219 175.900 0.147 0.000 1.173 204 Y CA -1.810 56.389 58.100 0.164 0.000 1.076 204 Y CB 1.412 39.963 38.460 0.152 0.000 1.336 204 Y HN 0.106 nan 8.280 nan 0.000 0.459 205 D N 3.781 124.195 120.400 0.023 0.000 2.602 205 D HA 0.305 4.945 4.640 -0.001 0.000 0.236 205 D C -2.791 173.604 176.300 0.158 0.000 1.209 205 D CA -1.910 52.203 54.000 0.190 0.000 0.831 205 D CB 2.616 43.624 40.800 0.348 0.000 1.478 205 D HN 0.209 nan 8.370 nan 0.000 0.438 206 P HA -0.177 nan 4.420 nan 0.000 0.218 206 P C 1.620 179.044 177.300 0.207 0.000 1.146 206 P CA 1.905 65.188 63.100 0.304 0.000 0.813 206 P CB 0.077 31.932 31.700 0.259 0.000 0.778 207 S N -0.899 114.857 115.700 0.093 0.000 2.447 207 S HA -0.104 4.366 4.470 -0.001 0.000 0.233 207 S C 1.789 176.327 174.600 -0.103 0.000 1.006 207 S CA 0.828 59.029 58.200 0.002 0.000 0.957 207 S CB -1.594 61.609 63.200 0.006 0.000 0.773 207 S HN 0.119 nan 8.310 nan 0.000 0.507 208 L N -0.126 121.006 121.223 -0.151 0.000 2.450 208 L HA 0.031 4.371 4.340 -0.001 0.000 0.224 208 L C 1.238 177.980 176.870 -0.214 0.000 1.149 208 L CA 0.682 55.387 54.840 -0.225 0.000 0.816 208 L CB -0.630 41.123 42.059 -0.510 0.000 0.932 208 L HN 0.206 nan 8.230 nan 0.000 0.449 209 K N -0.498 119.644 120.400 -0.430 0.000 3.185 209 K HA -0.178 4.142 4.320 -0.001 0.000 0.298 209 K C -0.318 176.011 176.600 -0.453 0.000 1.178 209 K CA 1.018 56.735 56.287 -0.949 0.000 0.882 209 K CB -1.675 30.473 32.500 -0.586 0.000 1.218 209 K HN 0.260 nan 8.250 nan 0.000 0.454 210 L N 0.274 121.520 121.223 0.038 0.000 2.307 210 L HA 0.317 4.657 4.340 -0.001 0.000 0.284 210 L C 0.549 177.642 176.870 0.371 0.000 1.023 210 L CA -0.784 54.175 54.840 0.198 0.000 0.810 210 L CB 1.899 44.070 42.059 0.187 0.000 1.231 210 L HN -0.014 nan 8.230 nan 0.000 0.423 211 S N 4.248 120.119 115.700 0.286 0.000 2.533 211 S HA 0.477 4.946 4.470 -0.001 0.000 0.282 211 S C -0.458 174.128 174.600 -0.024 0.000 1.304 211 S CA -0.051 58.241 58.200 0.153 0.000 1.063 211 S CB 0.069 63.285 63.200 0.026 0.000 0.881 211 S HN 0.507 nan 8.310 nan 0.000 0.493 212 I N 3.432 123.932 120.570 -0.118 0.000 2.785 212 I HA 0.428 4.598 4.170 -0.001 0.000 0.293 212 I C -1.617 174.240 176.117 -0.433 0.000 1.446 212 I CA -0.356 60.764 61.300 -0.301 0.000 1.028 212 I CB 1.740 39.436 38.000 -0.506 0.000 1.349 212 I HN 0.640 nan 8.210 nan 0.000 0.438 213 E N 3.717 123.626 120.200 -0.484 0.000 2.367 213 E HA 0.344 4.694 4.350 -0.001 0.000 0.273 213 E C 0.379 176.596 176.600 -0.639 0.000 0.903 213 E CA -0.538 55.548 56.400 -0.524 0.000 0.764 213 E CB 2.064 31.710 29.700 -0.090 0.000 1.252 213 E HN 0.803 nan 8.360 nan 0.000 0.446 214 G N 1.497 110.023 108.800 -0.457 0.000 2.475 214 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.220 214 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.220 214 G C 1.217 175.898 174.900 -0.365 0.000 1.125 214 G CA 0.974 45.933 45.100 -0.235 0.000 0.755 214 G HN 0.621 nan 8.290 nan 0.000 0.565 215 G N -0.026 108.394 108.800 -0.633 0.000 2.498 215 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.219 215 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.219 215 G C 1.306 176.105 174.900 -0.169 0.000 1.119 215 G CA 0.982 45.739 45.100 -0.573 0.000 0.766 215 G HN 0.379 nan 8.290 nan 0.000 0.552 216 D N -0.343 119.994 120.400 -0.104 0.000 2.350 216 D HA 0.080 4.719 4.640 -0.001 0.000 0.213 216 D C 0.555 176.959 176.300 0.173 0.000 1.031 216 D CA 0.144 54.231 54.000 0.145 0.000 0.861 216 D CB 0.877 41.734 40.800 0.094 0.000 0.926 216 D HN 0.070 nan 8.370 nan 0.000 0.520 217 V N 1.799 121.692 119.914 -0.034 0.000 2.407 217 V HA 0.267 4.386 4.120 -0.001 0.000 0.278 217 V C -0.380 175.663 176.094 -0.086 0.000 1.037 217 V CA -0.306 61.991 62.300 -0.005 0.000 0.900 217 V CB 0.739 32.522 31.823 -0.066 0.000 0.983 217 V HN -0.144 nan 8.190 nan 0.000 0.459 218 F N 4.602 124.575 119.950 0.038 0.000 2.540 218 F HA 0.605 5.132 4.527 -0.001 0.000 0.317 218 F C -0.060 175.818 175.800 0.130 0.000 1.104 218 F CA -0.910 57.181 58.000 0.151 0.000 0.913 218 F CB 2.063 41.252 39.000 0.314 0.000 1.170 218 F HN 0.201 nan 8.300 nan 0.000 0.450 219 I N 4.595 125.382 120.570 0.363 0.000 2.442 219 I HA 0.140 4.309 4.170 -0.001 0.000 0.279 219 I C 0.326 176.744 176.117 0.502 0.000 1.081 219 I CA -0.269 61.204 61.300 0.289 0.000 1.197 219 I CB -0.298 37.819 38.000 0.194 0.000 1.394 219 I HN 0.810 nan 8.210 nan 0.000 0.488 220 Y N 4.316 124.763 120.300 0.246 0.000 2.200 220 Y HA -0.245 4.304 4.550 -0.001 0.000 0.290 220 Y C 1.040 177.101 175.900 0.269 0.000 1.137 220 Y CA 0.721 58.975 58.100 0.257 0.000 1.163 220 Y CB 0.384 38.944 38.460 0.166 0.000 0.988 220 Y HN 0.694 nan 8.280 nan 0.000 0.518 221 N N -3.055 115.882 118.700 0.395 0.000 3.308 221 N HA 0.074 4.814 4.740 -0.001 0.000 0.276 221 N C -0.624 175.121 175.510 0.391 0.000 1.533 221 N CA -0.547 52.680 53.050 0.294 0.000 0.878 221 N CB -0.170 38.173 38.487 -0.239 0.000 1.566 221 N HN -0.284 nan 8.380 nan 0.000 0.546 222 N N -0.778 118.097 118.700 0.291 0.000 2.258 222 N HA -0.110 4.630 4.740 -0.001 0.000 0.187 222 N C -0.028 175.547 175.510 0.108 0.000 1.012 222 N CA 1.613 54.787 53.050 0.206 0.000 0.870 222 N CB -0.132 38.387 38.487 0.054 0.000 0.977 222 N HN 0.483 nan 8.380 nan 0.000 0.434 223 D N -1.264 119.227 120.400 0.152 0.000 2.259 223 D HA 0.067 4.706 4.640 -0.001 0.000 0.216 223 D C 0.065 176.529 176.300 0.272 0.000 0.961 223 D CA 0.929 55.021 54.000 0.154 0.000 0.878 223 D CB 0.034 40.862 40.800 0.045 0.000 1.009 223 D HN 0.045 nan 8.370 nan 0.000 0.490 224 T N 1.125 115.823 114.554 0.240 0.000 2.807 224 T HA 0.580 4.929 4.350 -0.001 0.000 0.279 224 T C 0.034 174.797 174.700 0.104 0.000 0.993 224 T CA -0.589 61.599 62.100 0.147 0.000 0.970 224 T CB 1.810 70.705 68.868 0.045 0.000 0.950 224 T HN -0.145 nan 8.240 nan 0.000 0.441 225 L N 2.515 123.716 121.223 -0.037 0.000 2.334 225 L HA 0.801 5.141 4.340 -0.001 0.000 0.273 225 L C -0.656 176.116 176.870 -0.164 0.000 1.013 225 L CA -1.212 53.547 54.840 -0.136 0.000 0.816 225 L CB 1.826 43.717 42.059 -0.279 0.000 1.278 225 L HN 0.311 nan 8.230 nan 0.000 0.431 226 V N 2.729 122.546 119.914 -0.162 0.000 2.588 226 V HA 0.535 4.654 4.120 -0.001 0.000 0.304 226 V C -0.452 175.650 176.094 0.013 0.000 1.042 226 V CA -0.578 61.589 62.300 -0.222 0.000 0.877 226 V CB 2.379 33.801 31.823 -0.667 0.000 0.996 226 V HN 0.432 nan 8.190 nan 0.000 0.425 227 V N 3.199 123.126 119.914 0.021 0.000 2.638 227 V HA 0.734 4.854 4.120 -0.001 0.000 0.306 227 V C 0.611 176.773 176.094 0.114 0.000 1.052 227 V CA -0.465 61.881 62.300 0.076 0.000 0.885 227 V CB 1.985 33.795 31.823 -0.022 0.000 0.999 227 V HN 0.943 nan 8.190 nan 0.000 0.424 228 G N 2.298 111.196 108.800 0.163 0.000 2.507 228 G HA2 0.508 4.467 3.960 -0.001 0.000 0.271 228 G HA3 0.508 4.467 3.960 -0.001 0.000 0.271 228 G C -0.740 174.237 174.900 0.128 0.000 1.189 228 G CA -0.349 44.858 45.100 0.179 0.000 0.859 228 G HN 0.588 nan 8.290 nan 0.000 0.542 229 V N 1.842 121.842 119.914 0.143 0.000 2.304 229 V HA 0.497 4.617 4.120 -0.001 0.000 0.278 229 V C 0.279 176.419 176.094 0.076 0.000 1.018 229 V CA -0.224 62.127 62.300 0.085 0.000 0.814 229 V CB 0.113 32.002 31.823 0.111 0.000 1.021 229 V HN 1.067 nan 8.190 nan 0.000 0.440 230 S N 2.663 118.396 115.700 0.055 0.000 2.971 230 S HA 0.459 4.928 4.470 -0.001 0.000 0.320 230 S C 0.784 175.399 174.600 0.025 0.000 1.111 230 S CA -0.476 57.755 58.200 0.051 0.000 0.870 230 S CB 1.595 64.857 63.200 0.103 0.000 1.331 230 S HN 0.424 nan 8.310 nan 0.000 0.635 231 E N 0.192 120.409 120.200 0.028 0.000 2.338 231 E HA -0.027 4.323 4.350 -0.001 0.000 0.197 231 E C 0.992 177.570 176.600 -0.037 0.000 1.007 231 E CA 0.651 57.063 56.400 0.020 0.000 0.849 231 E CB 0.072 29.806 29.700 0.057 0.000 0.774 231 E HN 0.419 nan 8.360 nan 0.000 0.506 232 R N -0.870 119.598 120.500 -0.054 0.000 2.394 232 R HA 0.177 4.516 4.340 -0.001 0.000 0.220 232 R C 0.192 176.460 176.300 -0.053 0.000 0.887 232 R CA 0.249 56.304 56.100 -0.075 0.000 1.034 232 R CB 0.824 31.093 30.300 -0.052 0.000 1.179 232 R HN -0.089 nan 8.270 nan 0.000 0.561 233 T N 1.839 116.380 114.554 -0.023 0.000 2.841 233 T HA 0.341 4.690 4.350 -0.001 0.000 0.285 233 T C -0.820 173.856 174.700 -0.039 0.000 0.991 233 T CA -0.716 61.355 62.100 -0.049 0.000 0.966 233 T CB 2.521 71.359 68.868 -0.050 0.000 0.962 233 T HN -0.098 nan 8.240 nan 0.000 0.438 234 D N 1.929 122.299 120.400 -0.051 0.000 2.217 234 D HA 0.240 4.880 4.640 -0.001 0.000 0.248 234 D C 1.253 177.503 176.300 -0.083 0.000 1.008 234 D CA -0.732 53.235 54.000 -0.055 0.000 0.914 234 D CB 2.149 42.926 40.800 -0.038 0.000 1.182 234 D HN 0.256 nan 8.370 nan 0.000 0.451 235 L N 2.143 123.285 121.223 -0.135 0.000 2.042 235 L HA -0.254 4.085 4.340 -0.001 0.000 0.210 235 L C 2.458 179.263 176.870 -0.108 0.000 1.076 235 L CA 1.914 56.634 54.840 -0.199 0.000 0.749 235 L CB -0.682 41.126 42.059 -0.419 0.000 0.893 235 L HN 0.494 nan 8.230 nan 0.000 0.432 236 Q N -2.384 117.366 119.800 -0.082 0.000 2.234 236 Q HA -0.195 4.145 4.340 -0.001 0.000 0.206 236 Q C 1.602 177.601 176.000 -0.001 0.000 0.980 236 Q CA 2.039 57.823 55.803 -0.031 0.000 0.869 236 Q CB -0.912 27.812 28.738 -0.022 0.000 0.912 236 Q HN 0.484 nan 8.270 nan 0.000 0.436 237 T N 0.884 115.431 114.554 -0.012 0.000 2.857 237 T HA -0.033 4.317 4.350 -0.001 0.000 0.266 237 T C 2.001 176.678 174.700 -0.037 0.000 1.048 237 T CA 1.141 63.250 62.100 0.015 0.000 1.139 237 T CB -0.107 68.743 68.868 -0.031 0.000 0.874 237 T HN 0.141 nan 8.240 nan 0.000 0.455 238 V N 1.831 121.679 119.914 -0.110 0.000 2.427 238 V HA -0.169 3.951 4.120 -0.001 0.000 0.248 238 V C 2.781 178.677 176.094 -0.330 0.000 1.051 238 V CA 1.840 64.000 62.300 -0.234 0.000 1.048 238 V CB -1.227 30.440 31.823 -0.259 0.000 0.666 238 V HN 0.503 nan 8.190 nan 0.000 0.456 239 T N 0.622 115.095 114.554 -0.135 0.000 2.746 239 T HA -0.187 4.162 4.350 -0.001 0.000 0.267 239 T C 1.891 176.595 174.700 0.006 0.000 1.039 239 T CA 1.805 63.921 62.100 0.027 0.000 1.142 239 T CB -0.323 68.639 68.868 0.157 0.000 0.866 239 T HN 0.304 nan 8.240 nan 0.000 0.444 240 L N 1.064 122.307 121.223 0.033 0.000 2.056 240 L HA 0.092 4.431 4.340 -0.001 0.000 0.207 240 L C 2.137 179.062 176.870 0.091 0.000 1.078 240 L CA 1.381 56.268 54.840 0.079 0.000 0.749 240 L CB -0.893 41.253 42.059 0.145 0.000 0.901 240 L HN 0.175 nan 8.230 nan 0.000 0.433 241 L N 0.092 121.366 121.223 0.085 0.000 2.012 241 L HA -0.119 4.221 4.340 -0.001 0.000 0.210 241 L C 2.523 179.374 176.870 -0.032 0.000 1.073 241 L CA 2.179 57.068 54.840 0.082 0.000 0.748 241 L CB -1.201 40.848 42.059 -0.017 0.000 0.891 241 L HN 0.279 nan 8.230 nan 0.000 0.431 242 A N -0.494 122.238 122.820 -0.146 0.000 1.908 242 A HA -0.302 4.017 4.320 -0.001 0.000 0.218 242 A C 2.465 180.036 177.584 -0.022 0.000 1.181 242 A CA 2.172 54.131 52.037 -0.129 0.000 0.627 242 A CB -0.697 18.195 19.000 -0.181 0.000 0.818 242 A HN 0.566 nan 8.150 nan 0.000 0.445 243 K N -0.405 120.001 120.400 0.009 0.000 2.002 243 K HA -0.215 4.105 4.320 -0.001 0.000 0.209 243 K C 1.725 178.338 176.600 0.023 0.000 1.048 243 K CA 1.738 58.041 56.287 0.028 0.000 0.930 243 K CB -0.278 32.243 32.500 0.036 0.000 0.714 243 K HN 0.436 nan 8.250 nan 0.000 0.438 244 N N 1.015 119.737 118.700 0.037 0.000 2.149 244 N HA -0.166 4.574 4.740 -0.001 0.000 0.188 244 N C 1.852 177.372 175.510 0.017 0.000 1.019 244 N CA 1.365 54.449 53.050 0.057 0.000 0.857 244 N CB -0.241 38.317 38.487 0.119 0.000 0.997 244 N HN 0.324 nan 8.380 nan 0.000 0.426 245 I N 0.080 120.617 120.570 -0.056 0.000 2.233 245 I HA -0.158 4.012 4.170 -0.001 0.000 0.243 245 I C 1.934 177.998 176.117 -0.088 0.000 1.093 245 I CA 0.621 61.807 61.300 -0.188 0.000 1.380 245 I CB -0.229 37.638 38.000 -0.221 0.000 1.067 245 I HN -0.102 nan 8.210 nan 0.000 0.413 246 V N 1.253 121.149 119.914 -0.031 0.000 2.568 246 V HA -0.284 3.836 4.120 -0.001 0.000 0.253 246 V C 2.565 178.663 176.094 0.007 0.000 1.072 246 V CA 1.926 64.226 62.300 -0.001 0.000 1.084 246 V CB -0.886 30.948 31.823 0.019 0.000 0.676 246 V HN 0.504 nan 8.190 nan 0.000 0.469 247 A N -0.536 122.291 122.820 0.011 0.000 2.067 247 A HA -0.034 4.285 4.320 -0.001 0.000 0.217 247 A C 1.392 178.997 177.584 0.036 0.000 1.156 247 A CA 0.493 52.545 52.037 0.025 0.000 0.683 247 A CB -0.348 18.671 19.000 0.031 0.000 0.808 247 A HN 0.527 nan 8.150 nan 0.000 0.455 248 N N 0.581 119.302 118.700 0.035 0.000 2.420 248 N HA 0.080 4.820 4.740 -0.001 0.000 0.249 248 N C 0.346 175.886 175.510 0.051 0.000 1.033 248 N CA -0.248 52.846 53.050 0.072 0.000 0.944 248 N CB 0.761 39.325 38.487 0.129 0.000 1.113 248 N HN 0.102 nan 8.380 nan 0.000 0.502 249 K N 3.312 123.746 120.400 0.057 0.000 2.057 249 K HA -0.111 4.208 4.320 -0.001 0.000 0.206 249 K C 1.007 177.639 176.600 0.053 0.000 1.050 249 K CA 1.413 57.727 56.287 0.045 0.000 0.935 249 K CB 0.057 32.580 32.500 0.039 0.000 0.715 249 K HN 0.551 nan 8.250 nan 0.000 0.439 250 E N 0.527 120.774 120.200 0.080 0.000 2.268 250 E HA -0.073 4.277 4.350 -0.001 0.000 0.195 250 E C 0.656 177.317 176.600 0.103 0.000 0.995 250 E CA 0.142 56.596 56.400 0.090 0.000 0.836 250 E CB -0.294 29.473 29.700 0.111 0.000 0.763 250 E HN 0.172 nan 8.360 nan 0.000 0.491 251 C N 1.536 120.902 119.300 0.110 0.000 2.648 251 C HA 0.038 4.498 4.460 -0.001 0.000 0.419 251 C C 0.982 175.985 174.990 0.021 0.000 1.352 251 C CA -0.147 58.927 59.018 0.093 0.000 1.816 251 C CB -0.267 27.445 27.740 -0.046 0.000 2.598 251 C HN 0.389 nan 8.230 nan 0.000 0.598 252 E N 3.268 123.431 120.200 -0.061 0.000 2.501 252 E HA 0.139 4.489 4.350 -0.001 0.000 0.200 252 E C -0.491 176.001 176.600 -0.180 0.000 1.016 252 E CA -0.080 56.248 56.400 -0.119 0.000 0.921 252 E CB 0.255 29.878 29.700 -0.128 0.000 1.034 252 E HN 0.694 nan 8.360 nan 0.000 0.468 253 F N 1.359 121.332 119.950 0.039 0.000 2.471 253 F HA 0.129 4.656 4.527 -0.000 0.000 0.353 253 F C 1.568 177.373 175.800 0.008 0.000 1.113 253 F CA 0.207 58.225 58.000 0.029 0.000 1.262 253 F CB 0.875 39.876 39.000 0.001 0.000 1.146 253 F HN -0.197 nan 8.300 nan 0.000 0.578 254 K N 1.516 122.032 120.400 0.193 0.000 2.360 254 K HA 0.188 4.508 4.320 -0.001 0.000 0.196 254 K C 0.346 177.008 176.600 0.103 0.000 1.049 254 K CA -0.032 56.321 56.287 0.109 0.000 1.049 254 K CB 0.954 33.493 32.500 0.064 0.000 0.881 254 K HN 0.511 nan 8.250 nan 0.000 0.542 255 R N 0.945 121.518 120.500 0.121 0.000 2.643 255 R HA 0.405 4.745 4.340 -0.001 0.000 0.269 255 R C -1.822 174.519 176.300 0.068 0.000 1.037 255 R CA -0.493 55.662 56.100 0.093 0.000 0.894 255 R CB 1.417 31.755 30.300 0.063 0.000 1.238 255 R HN -0.059 nan 8.270 nan 0.000 0.459 256 I N 3.548 124.174 120.570 0.093 0.000 2.498 256 I HA 0.353 4.523 4.170 -0.001 0.000 0.290 256 I C -0.677 175.528 176.117 0.146 0.000 1.032 256 I CA -1.175 60.151 61.300 0.043 0.000 1.073 256 I CB 2.312 40.265 38.000 -0.079 0.000 1.251 256 I HN 0.260 nan 8.210 nan 0.000 0.426 257 V N 5.366 125.306 119.914 0.044 0.000 2.384 257 V HA 0.556 4.676 4.120 -0.001 0.000 0.287 257 V C 0.358 176.532 176.094 0.134 0.000 1.020 257 V CA -0.528 61.819 62.300 0.078 0.000 0.850 257 V CB 1.541 33.304 31.823 -0.100 0.000 0.987 257 V HN 0.824 nan 8.190 nan 0.000 0.436 258 A N 6.814 129.836 122.820 0.337 0.000 2.301 258 A HA 0.827 5.147 4.320 -0.001 0.000 0.298 258 A C -0.494 177.368 177.584 0.464 0.000 1.185 258 A CA -0.369 51.895 52.037 0.380 0.000 0.830 258 A CB 0.295 19.595 19.000 0.499 0.000 1.112 258 A HN 0.784 nan 8.150 nan 0.000 0.508 259 I N 2.542 123.315 120.570 0.339 0.000 2.389 259 I HA 0.174 4.344 4.170 -0.001 0.000 0.288 259 I C -0.089 176.217 176.117 0.316 0.000 0.999 259 I CA -0.643 60.864 61.300 0.345 0.000 1.129 259 I CB 1.800 39.948 38.000 0.247 0.000 1.288 259 I HN 0.786 nan 8.210 nan 0.000 0.444 260 N N 5.782 124.645 118.700 0.272 0.000 2.520 260 N HA 0.452 5.192 4.740 -0.001 0.000 0.273 260 N C -0.830 174.696 175.510 0.026 0.000 1.155 260 N CA -0.244 52.921 53.050 0.193 0.000 0.967 260 N CB 1.015 39.587 38.487 0.143 0.000 1.092 260 N HN 0.424 nan 8.380 nan 0.000 0.457 261 V N 0.832 120.683 119.914 -0.105 0.000 3.130 261 V HA 0.730 4.849 4.120 -0.001 0.000 0.310 261 V C -2.693 173.051 176.094 -0.584 0.000 1.158 261 V CA -2.566 59.456 62.300 -0.464 0.000 1.029 261 V CB 1.621 33.186 31.823 -0.431 0.000 1.057 261 V HN 0.545 nan 8.190 nan 0.000 0.436 262 P HA 0.126 nan 4.420 nan 0.000 0.262 262 P C -0.484 176.626 177.300 -0.316 0.000 1.182 262 P CA 0.206 62.839 63.100 -0.778 0.000 0.761 262 P CB 0.223 31.000 31.700 -1.539 0.000 0.795 263 K N 3.190 123.600 120.400 0.016 0.000 3.006 263 K HA 0.107 4.426 4.320 -0.001 0.000 0.262 263 K C -0.550 176.267 176.600 0.362 0.000 1.289 263 K CA -0.045 56.330 56.287 0.148 0.000 1.245 263 K CB -0.320 32.239 32.500 0.097 0.000 1.614 263 K HN 0.465 nan 8.250 nan 0.000 0.322 264 W N 1.368 122.731 121.300 0.104 0.000 2.287 264 W HA 0.067 4.727 4.660 -0.000 0.000 0.313 264 W C 1.722 178.280 176.519 0.066 0.000 1.267 264 W CA -0.902 56.513 57.345 0.117 0.000 1.201 264 W CB 0.267 29.864 29.460 0.229 0.000 1.196 264 W HN 0.311 nan 8.180 nan 0.000 0.536 265 T N -1.698 112.982 114.554 0.211 0.000 2.962 265 T HA -0.232 4.117 4.350 -0.001 0.000 0.270 265 T C 1.083 175.806 174.700 0.038 0.000 1.088 265 T CA 1.531 63.689 62.100 0.097 0.000 1.127 265 T CB -0.082 68.809 68.868 0.038 0.000 0.883 265 T HN 0.484 nan 8.240 nan 0.000 0.493 266 N N 1.015 119.762 118.700 0.079 0.000 2.299 266 N HA 0.078 4.817 4.740 -0.001 0.000 0.187 266 N C 0.415 175.880 175.510 -0.076 0.000 1.099 266 N CA -0.002 53.029 53.050 -0.032 0.000 0.867 266 N CB 0.102 38.568 38.487 -0.035 0.000 0.974 266 N HN 0.417 nan 8.380 nan 0.000 0.477 267 L N 2.149 123.405 121.223 0.056 0.000 2.551 267 L HA 0.312 4.652 4.340 -0.001 0.000 0.248 267 L C 1.226 178.156 176.870 0.100 0.000 1.509 267 L CA -0.349 54.443 54.840 -0.081 0.000 0.842 267 L CB 1.184 43.091 42.059 -0.253 0.000 1.087 267 L HN -0.023 nan 8.230 nan 0.000 0.512 268 M N -1.935 117.618 119.600 -0.078 0.000 2.595 268 M HA 0.170 4.649 4.480 -0.001 0.000 0.248 268 M C -0.143 175.972 176.300 -0.310 0.000 1.119 268 M CA 1.077 56.263 55.300 -0.190 0.000 1.079 268 M CB -1.098 31.282 32.600 -0.366 0.000 1.472 268 M HN 0.278 nan 8.290 nan 0.000 0.501 269 H N -0.572 118.566 119.070 0.113 0.000 2.797 269 H HA 0.397 4.953 4.556 -0.001 0.000 0.372 269 H C 0.584 176.088 175.328 0.293 0.000 1.168 269 H CA -0.884 55.248 56.048 0.141 0.000 1.163 269 H CB 1.776 31.569 29.762 0.052 0.000 1.778 269 H HN 0.036 nan 8.280 nan 0.000 0.551 270 L N 1.346 122.853 121.223 0.474 0.000 2.127 270 L HA -0.161 4.179 4.340 -0.001 0.000 0.211 270 L C 1.470 178.667 176.870 0.544 0.000 1.089 270 L CA 1.970 57.115 54.840 0.509 0.000 0.757 270 L CB -0.576 41.734 42.059 0.420 0.000 0.899 270 L HN 0.823 nan 8.230 nan 0.000 0.434 271 D N -1.891 118.846 120.400 0.561 0.000 2.392 271 D HA -0.134 4.506 4.640 -0.001 0.000 0.228 271 D C 1.496 177.940 176.300 0.240 0.000 1.003 271 D CA 1.042 55.353 54.000 0.518 0.000 0.917 271 D CB -0.916 40.087 40.800 0.337 0.000 0.890 271 D HN 0.563 nan 8.370 nan 0.000 0.532 272 T N -5.596 109.019 114.554 0.101 0.000 3.092 272 T HA 0.239 4.589 4.350 -0.001 0.000 0.258 272 T C 0.827 175.198 174.700 -0.548 0.000 1.031 272 T CA -0.495 61.456 62.100 -0.248 0.000 0.925 272 T CB -0.555 68.063 68.868 -0.417 0.000 1.036 272 T HN 0.269 nan 8.240 nan 0.000 0.544 273 W N 0.309 121.695 121.300 0.144 0.000 2.977 273 W HA 0.635 5.294 4.660 -0.001 0.000 0.236 273 W C -0.503 176.211 176.519 0.325 0.000 1.053 273 W CA -0.726 56.715 57.345 0.159 0.000 1.375 273 W CB 1.007 30.529 29.460 0.104 0.000 0.814 273 W HN 0.179 nan 8.180 nan 0.000 0.713 274 L N 1.682 123.199 121.223 0.490 0.000 2.588 274 L HA 0.644 4.983 4.340 -0.001 0.000 0.263 274 L C -0.579 176.458 176.870 0.280 0.000 0.935 274 L CA -0.212 54.862 54.840 0.390 0.000 0.891 274 L CB 1.236 43.477 42.059 0.304 0.000 1.318 274 L HN -0.050 nan 8.230 nan 0.000 0.409 275 T N 1.923 116.672 114.554 0.326 0.000 2.896 275 T HA 0.636 4.985 4.350 -0.001 0.000 0.297 275 T C -0.602 174.271 174.700 0.287 0.000 1.108 275 T CA -0.702 61.626 62.100 0.381 0.000 1.004 275 T CB 1.656 70.767 68.868 0.404 0.000 1.159 275 T HN 0.807 nan 8.240 nan 0.000 0.499 276 M N 2.950 122.669 119.600 0.198 0.000 2.149 276 M HA 0.472 4.951 4.480 -0.001 0.000 0.342 276 M C -0.812 175.413 176.300 -0.124 0.000 1.068 276 M CA -0.916 54.274 55.300 -0.184 0.000 0.991 276 M CB 0.543 32.895 32.600 -0.414 0.000 1.596 276 M HN 0.728 nan 8.290 nan 0.000 0.439 277 L N 2.595 123.688 121.223 -0.216 0.000 2.731 277 L HA 0.416 4.755 4.340 -0.001 0.000 0.240 277 L C 0.027 176.811 176.870 -0.143 0.000 1.120 277 L CA -0.043 54.729 54.840 -0.114 0.000 0.913 277 L CB 0.276 42.288 42.059 -0.079 0.000 1.213 277 L HN 0.636 nan 8.230 nan 0.000 0.515 278 D N -1.160 119.103 120.400 -0.229 0.000 2.677 278 D HA 0.179 4.818 4.640 -0.001 0.000 0.298 278 D C 0.298 176.489 176.300 -0.182 0.000 1.250 278 D CA -0.503 53.392 54.000 -0.174 0.000 0.888 278 D CB 1.531 42.246 40.800 -0.143 0.000 1.397 278 D HN -0.288 nan 8.370 nan 0.000 0.461 279 K N -0.456 119.890 120.400 -0.090 0.000 2.152 279 K HA -0.122 4.197 4.320 -0.001 0.000 0.206 279 K C 0.290 176.942 176.600 0.086 0.000 1.048 279 K CA 1.721 58.058 56.287 0.083 0.000 0.933 279 K CB 0.040 32.591 32.500 0.085 0.000 0.721 279 K HN 0.378 nan 8.250 nan 0.000 0.447 280 D N -0.734 119.636 120.400 -0.049 0.000 2.636 280 D HA 0.078 4.718 4.640 -0.001 0.000 0.270 280 D C -0.555 175.674 176.300 -0.118 0.000 1.430 280 D CA -0.253 53.744 54.000 -0.005 0.000 0.796 280 D CB 0.074 40.924 40.800 0.084 0.000 1.117 280 D HN -0.104 nan 8.370 nan 0.000 0.480 281 K N 0.417 120.561 120.400 -0.426 0.000 2.345 281 K HA 0.552 4.872 4.320 -0.001 0.000 0.255 281 K C -1.216 174.975 176.600 -0.681 0.000 0.934 281 K CA -0.641 55.444 56.287 -0.337 0.000 0.801 281 K CB 1.848 34.250 32.500 -0.164 0.000 1.137 281 K HN -0.142 nan 8.250 nan 0.000 0.424 282 F N 1.854 121.820 119.950 0.027 0.000 2.551 282 F HA 0.435 4.961 4.527 -0.001 0.000 0.316 282 F C -0.591 175.289 175.800 0.134 0.000 1.089 282 F CA -1.206 56.826 58.000 0.054 0.000 0.915 282 F CB 1.374 40.386 39.000 0.020 0.000 1.186 282 F HN 0.212 nan 8.300 nan 0.000 0.456 283 L N 4.748 126.160 121.223 0.316 0.000 2.313 283 L HA 0.613 4.953 4.340 -0.001 0.000 0.283 283 L C -1.274 175.827 176.870 0.384 0.000 1.013 283 L CA -0.823 54.183 54.840 0.276 0.000 0.816 283 L CB 0.733 42.884 42.059 0.154 0.000 1.236 283 L HN 0.584 nan 8.230 nan 0.000 0.419 284 Y N 1.673 122.100 120.300 0.212 0.000 2.588 284 Y HA 0.742 5.292 4.550 -0.001 0.000 0.343 284 Y C -0.911 175.140 175.900 0.250 0.000 1.065 284 Y CA -1.153 57.115 58.100 0.280 0.000 1.038 284 Y CB 1.440 40.091 38.460 0.318 0.000 1.297 284 Y HN 0.556 nan 8.280 nan 0.000 0.467 285 S N 2.716 118.504 115.700 0.147 0.000 2.429 285 S HA 0.400 4.870 4.470 -0.001 0.000 0.302 285 S C -2.069 172.599 174.600 0.114 0.000 1.115 285 S CA -1.750 56.447 58.200 -0.004 0.000 1.095 285 S CB 0.979 64.229 63.200 0.083 0.000 0.987 285 S HN 0.628 nan 8.310 nan 0.000 0.474 286 P HA -0.061 nan 4.420 nan 0.000 0.220 286 P C 1.123 178.508 177.300 0.141 0.000 1.144 286 P CA 0.948 64.159 63.100 0.186 0.000 0.800 286 P CB 0.009 31.764 31.700 0.092 0.000 0.772 287 I N -0.877 119.763 120.570 0.115 0.000 2.423 287 I HA -0.239 3.931 4.170 -0.001 0.000 0.254 287 I C 1.911 177.960 176.117 -0.113 0.000 1.151 287 I CA 1.352 62.702 61.300 0.083 0.000 1.421 287 I CB -0.443 37.669 38.000 0.188 0.000 1.079 287 I HN -0.051 nan 8.210 nan 0.000 0.431 288 A N -0.029 122.655 122.820 -0.227 0.000 2.307 288 A HA 0.022 4.341 4.320 -0.001 0.000 0.218 288 A C 1.660 178.842 177.584 -0.670 0.000 1.228 288 A CA 0.102 51.668 52.037 -0.784 0.000 0.857 288 A CB -0.413 17.768 19.000 -1.365 0.000 0.897 288 A HN 0.302 nan 8.150 nan 0.000 0.495 289 N N 1.595 120.195 118.700 -0.166 0.000 2.037 289 N HA -0.171 4.569 4.740 -0.001 0.000 0.196 289 N C 0.481 175.972 175.510 -0.032 0.000 1.034 289 N CA 1.914 54.991 53.050 0.044 0.000 0.861 289 N CB -0.222 38.335 38.487 0.116 0.000 1.039 289 N HN 0.436 nan 8.380 nan 0.000 0.427 290 D N -0.758 119.579 120.400 -0.105 0.000 2.340 290 D HA 0.070 4.709 4.640 -0.001 0.000 0.220 290 D C 1.377 177.571 176.300 -0.176 0.000 1.039 290 D CA 0.118 54.055 54.000 -0.105 0.000 0.866 290 D CB 0.384 41.141 40.800 -0.072 0.000 0.913 290 D HN 0.096 nan 8.370 nan 0.000 0.523 291 V N -0.213 119.521 119.914 -0.300 0.000 3.212 291 V HA 0.117 4.237 4.120 -0.001 0.000 0.244 291 V C 0.844 176.739 176.094 -0.332 0.000 1.151 291 V CA -0.147 61.946 62.300 -0.345 0.000 1.119 291 V CB -0.113 31.416 31.823 -0.490 0.000 0.838 291 V HN 0.062 nan 8.190 nan 0.000 0.470 292 F N 2.120 121.872 119.950 -0.329 0.000 2.623 292 F HA 0.082 4.608 4.527 -0.001 0.000 0.386 292 F C 0.599 175.920 175.800 -0.798 0.000 1.068 292 F CA 0.956 58.691 58.000 -0.441 0.000 1.265 292 F CB 0.162 39.013 39.000 -0.248 0.000 1.026 292 F HN 0.049 nan 8.300 nan 0.000 0.568 293 K N 4.479 124.360 120.400 -0.866 0.000 2.523 293 K HA 0.569 4.888 4.320 -0.001 0.000 0.257 293 K C -1.846 173.889 176.600 -1.442 0.000 0.932 293 K CA -0.652 54.908 56.287 -1.211 0.000 0.812 293 K CB 1.529 33.559 32.500 -0.783 0.000 1.326 293 K HN 0.435 nan 8.250 nan 0.000 0.433 294 F N 1.575 121.084 119.950 -0.736 0.000 2.577 294 F HA 0.641 5.168 4.527 -0.001 0.000 0.318 294 F C -0.626 174.752 175.800 -0.703 0.000 1.065 294 F CA -0.810 56.846 58.000 -0.573 0.000 0.929 294 F CB 1.507 40.322 39.000 -0.307 0.000 1.237 294 F HN 0.225 nan 8.300 nan 0.000 0.468 295 W N 1.100 122.480 121.300 0.133 0.000 2.998 295 W HA 0.325 4.984 4.660 -0.000 0.000 0.335 295 W C -1.283 175.238 176.519 0.002 0.000 1.110 295 W CA -0.626 56.724 57.345 0.008 0.000 1.230 295 W CB 2.266 31.698 29.460 -0.047 0.000 1.405 295 W HN 0.394 nan 8.180 nan 0.000 0.493 296 D N 1.184 121.659 120.400 0.125 0.000 2.198 296 D HA 0.376 5.016 4.640 -0.001 0.000 0.247 296 D C -1.290 174.985 176.300 -0.041 0.000 1.010 296 D CA -0.320 53.727 54.000 0.080 0.000 0.880 296 D CB 2.198 43.015 40.800 0.029 0.000 1.209 296 D HN 0.147 nan 8.370 nan 0.000 0.451 297 Y N 0.623 120.956 120.300 0.055 0.000 2.331 297 Y HA 0.149 4.699 4.550 -0.001 0.000 0.334 297 Y C 0.035 175.950 175.900 0.025 0.000 0.960 297 Y CA -0.966 57.156 58.100 0.037 0.000 1.130 297 Y CB 1.532 40.006 38.460 0.024 0.000 1.164 297 Y HN 0.130 nan 8.280 nan 0.000 0.458 298 D N 4.198 124.682 120.400 0.139 0.000 2.380 298 D HA 0.215 4.855 4.640 -0.001 0.000 0.230 298 D C 0.059 176.417 176.300 0.097 0.000 1.154 298 D CA 0.008 54.063 54.000 0.092 0.000 0.859 298 D CB 0.872 41.702 40.800 0.050 0.000 1.045 298 D HN 0.632 nan 8.370 nan 0.000 0.495 299 L N 3.094 124.371 121.223 0.090 0.000 2.653 299 L HA 0.132 4.472 4.340 -0.001 0.000 0.232 299 L C 1.146 178.047 176.870 0.052 0.000 1.169 299 L CA -0.207 54.676 54.840 0.072 0.000 0.951 299 L CB 0.265 42.366 42.059 0.070 0.000 1.181 299 L HN 0.289 nan 8.230 nan 0.000 0.460 300 V N -0.974 118.968 119.914 0.046 0.000 2.950 300 V HA 0.043 4.163 4.120 -0.001 0.000 0.231 300 V C 1.013 177.124 176.094 0.027 0.000 1.205 300 V CA 0.669 62.988 62.300 0.033 0.000 1.239 300 V CB 0.262 32.101 31.823 0.028 0.000 1.050 300 V HN 0.444 nan 8.190 nan 0.000 0.498 301 N N 0.277 118.993 118.700 0.027 0.000 2.338 301 N HA 0.234 4.974 4.740 -0.001 0.000 0.251 301 N C 1.088 176.611 175.510 0.023 0.000 1.199 301 N CA 0.502 53.564 53.050 0.021 0.000 0.879 301 N CB 0.912 39.408 38.487 0.015 0.000 1.159 301 N HN 0.440 nan 8.380 nan 0.000 0.514 302 G N 0.249 109.068 108.800 0.032 0.000 3.233 302 G HA2 0.470 4.430 3.960 -0.001 0.000 0.234 302 G HA3 0.470 4.430 3.960 -0.001 0.000 0.234 302 G C 0.739 175.660 174.900 0.034 0.000 1.137 302 G CA 0.150 45.271 45.100 0.035 0.000 0.763 302 G HN 0.394 nan 8.290 nan 0.000 0.549 303 G N -1.128 107.690 108.800 0.030 0.000 2.757 303 G HA2 0.250 4.210 3.960 -0.001 0.000 0.638 303 G HA3 0.250 4.210 3.960 -0.001 0.000 0.638 303 G C 0.930 175.849 174.900 0.032 0.000 1.344 303 G CA -0.140 44.976 45.100 0.027 0.000 0.855 303 G HN 1.081 nan 8.290 nan 0.000 0.537 304 A N -0.690 122.146 122.820 0.027 0.000 2.168 304 A HA 0.384 4.703 4.320 -0.001 0.000 0.215 304 A C 1.168 178.773 177.584 0.034 0.000 1.152 304 A CA 2.080 54.133 52.037 0.027 0.000 0.716 304 A CB -0.093 18.919 19.000 0.021 0.000 0.794 304 A HN 0.665 nan 8.150 nan 0.000 0.465 305 E N 0.625 120.849 120.200 0.040 0.000 3.666 305 E HA 0.170 4.520 4.350 -0.001 0.000 0.230 305 E C -2.801 173.842 176.600 0.072 0.000 1.235 305 E CA -1.960 54.471 56.400 0.052 0.000 1.096 305 E CB 1.042 30.765 29.700 0.039 0.000 1.287 305 E HN 0.350 nan 8.360 nan 0.000 0.406 306 P HA -0.080 nan 4.420 nan 0.000 0.266 306 P C -0.397 176.999 177.300 0.160 0.000 1.195 306 P CA 0.223 63.397 63.100 0.123 0.000 0.768 306 P CB 0.954 32.755 31.700 0.168 0.000 0.838 307 Q N 2.710 122.524 119.800 0.023 0.000 2.248 307 Q HA 0.437 4.776 4.340 -0.001 0.000 0.263 307 Q C -2.188 173.540 176.000 -0.452 0.000 1.007 307 Q CA -2.171 53.577 55.803 -0.092 0.000 0.877 307 Q CB 0.903 29.601 28.738 -0.067 0.000 1.315 307 Q HN 0.411 nan 8.270 nan 0.000 0.454 308 P HA 0.136 nan 4.420 nan 0.000 0.282 308 P C -0.671 176.491 177.300 -0.231 0.000 1.274 308 P CA -0.153 62.435 63.100 -0.855 0.000 0.770 308 P CB 0.660 31.930 31.700 -0.716 0.000 0.867 309 V N 4.241 124.080 119.914 -0.125 0.000 2.311 309 V HA 0.166 4.286 4.120 -0.001 0.000 0.275 309 V C 0.841 176.985 176.094 0.085 0.000 1.022 309 V CA -0.772 61.532 62.300 0.007 0.000 0.830 309 V CB 0.642 32.444 31.823 -0.034 0.000 1.012 309 V HN 0.595 nan 8.190 nan 0.000 0.452 310 E N 4.503 124.779 120.200 0.127 0.000 2.652 310 E HA -0.108 4.242 4.350 -0.001 0.000 0.255 310 E C 0.015 176.556 176.600 -0.099 0.000 0.952 310 E CA 0.171 56.516 56.400 -0.091 0.000 0.947 310 E CB 0.378 30.009 29.700 -0.114 0.000 0.912 310 E HN 0.677 nan 8.360 nan 0.000 0.489 311 N N 3.616 122.239 118.700 -0.128 0.000 2.511 311 N HA 0.172 4.912 4.740 -0.001 0.000 0.249 311 N C 0.152 175.648 175.510 -0.023 0.000 0.971 311 N CA -0.123 52.899 53.050 -0.047 0.000 0.938 311 N CB 1.439 39.918 38.487 -0.014 0.000 1.131 311 N HN 0.614 nan 8.380 nan 0.000 0.505 312 G N 3.105 111.877 108.800 -0.046 0.000 2.956 312 G HA2 0.040 4.000 3.960 -0.001 0.000 0.207 312 G HA3 0.040 4.000 3.960 -0.001 0.000 0.207 312 G C 0.833 175.733 174.900 -0.000 0.000 1.162 312 G CA 0.026 45.100 45.100 -0.043 0.000 0.796 312 G HN 0.507 nan 8.290 nan 0.000 0.527 313 L N 0.595 121.829 121.223 0.017 0.000 2.467 313 L HA 0.234 4.573 4.340 -0.001 0.000 0.270 313 L C -1.766 175.141 176.870 0.061 0.000 1.205 313 L CA -1.654 53.178 54.840 -0.012 0.000 0.828 313 L CB 0.820 42.822 42.059 -0.095 0.000 1.101 313 L HN -0.039 nan 8.230 nan 0.000 0.479 314 P HA 0.024 nan 4.420 nan 0.000 0.274 314 P C 0.423 177.693 177.300 -0.049 0.000 1.256 314 P CA -0.601 62.520 63.100 0.035 0.000 0.795 314 P CB 0.582 32.267 31.700 -0.026 0.000 1.038 315 L N 1.367 122.564 121.223 -0.043 0.000 2.013 315 L HA -0.227 4.113 4.340 -0.001 0.000 0.212 315 L C 2.085 178.697 176.870 -0.430 0.000 1.073 315 L CA 2.027 56.671 54.840 -0.327 0.000 0.753 315 L CB -1.138 40.706 42.059 -0.358 0.000 0.890 315 L HN 0.469 nan 8.230 nan 0.000 0.432 316 E N -1.076 118.943 120.200 -0.301 0.000 2.085 316 E HA -0.201 4.149 4.350 -0.001 0.000 0.194 316 E C 2.051 178.501 176.600 -0.250 0.000 0.994 316 E CA 1.119 57.355 56.400 -0.272 0.000 0.801 316 E CB -0.456 29.142 29.700 -0.171 0.000 0.743 316 E HN 0.657 nan 8.360 nan 0.000 0.453 317 G N 1.223 109.897 108.800 -0.210 0.000 2.408 317 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.217 317 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.217 317 G C 1.513 176.264 174.900 -0.249 0.000 1.150 317 G CA 0.723 45.714 45.100 -0.182 0.000 0.776 317 G HN 0.299 nan 8.290 nan 0.000 0.542 318 L N 0.329 121.323 121.223 -0.380 0.000 2.056 318 L HA 0.112 4.451 4.340 -0.001 0.000 0.207 318 L C 2.668 179.272 176.870 -0.443 0.000 1.078 318 L CA 1.377 55.913 54.840 -0.507 0.000 0.749 318 L CB -0.309 41.146 42.059 -1.006 0.000 0.901 318 L HN 0.190 nan 8.230 nan 0.000 0.433 319 L N -0.770 120.160 121.223 -0.488 0.000 2.027 319 L HA -0.224 4.116 4.340 -0.001 0.000 0.206 319 L C 2.697 179.426 176.870 -0.236 0.000 1.074 319 L CA 1.731 56.301 54.840 -0.451 0.000 0.745 319 L CB -0.717 40.872 42.059 -0.784 0.000 0.898 319 L HN 0.467 nan 8.230 nan 0.000 0.433 320 Q N 0.259 119.940 119.800 -0.199 0.000 2.181 320 Q HA -0.242 4.098 4.340 -0.001 0.000 0.205 320 Q C 2.235 178.182 176.000 -0.088 0.000 0.980 320 Q CA 2.082 57.825 55.803 -0.100 0.000 0.862 320 Q CB -0.053 28.632 28.738 -0.088 0.000 0.905 320 Q HN 0.543 nan 8.270 nan 0.000 0.429 321 S N -0.734 114.891 115.700 -0.125 0.000 2.474 321 S HA -0.071 4.399 4.470 -0.001 0.000 0.235 321 S C 1.683 176.232 174.600 -0.086 0.000 0.997 321 S CA 0.776 58.915 58.200 -0.103 0.000 0.949 321 S CB -0.233 62.893 63.200 -0.124 0.000 0.766 321 S HN 0.490 nan 8.310 nan 0.000 0.517 322 I N 1.144 121.665 120.570 -0.082 0.000 2.628 322 I HA 0.136 4.306 4.170 -0.001 0.000 0.255 322 I C 2.264 178.365 176.117 -0.027 0.000 1.119 322 I CA 0.903 62.181 61.300 -0.038 0.000 1.448 322 I CB -0.109 37.903 38.000 0.019 0.000 1.133 322 I HN 0.380 nan 8.210 nan 0.000 0.438 323 I N -2.579 117.991 120.570 -0.001 0.000 3.645 323 I HA 0.205 4.375 4.170 -0.001 0.000 0.300 323 I C 0.029 176.127 176.117 -0.030 0.000 1.260 323 I CA 0.143 61.425 61.300 -0.029 0.000 1.365 323 I CB 0.041 38.093 38.000 0.086 0.000 1.077 323 I HN 0.155 nan 8.210 nan 0.000 0.439 324 N N 2.604 121.292 118.700 -0.020 0.000 2.754 324 N HA -0.154 4.586 4.740 -0.001 0.000 0.248 324 N C -0.699 174.818 175.510 0.012 0.000 1.093 324 N CA 1.018 54.059 53.050 -0.014 0.000 0.699 324 N CB -1.188 37.283 38.487 -0.027 0.000 1.016 324 N HN 0.670 nan 8.380 nan 0.000 0.552 325 K N 0.113 120.531 120.400 0.031 0.000 2.536 325 K HA 0.300 4.619 4.320 -0.001 0.000 0.269 325 K C -0.153 176.477 176.600 0.049 0.000 0.965 325 K CA -0.799 55.517 56.287 0.049 0.000 0.860 325 K CB 2.349 34.898 32.500 0.080 0.000 1.423 325 K HN -0.004 nan 8.250 nan 0.000 0.438 326 K N 3.406 123.833 120.400 0.045 0.000 2.383 326 K HA 0.133 4.453 4.320 -0.001 0.000 0.286 326 K C -2.134 174.511 176.600 0.076 0.000 1.051 326 K CA -1.099 55.211 56.287 0.039 0.000 0.974 326 K CB 0.401 32.919 32.500 0.029 0.000 0.968 326 K HN 0.210 nan 8.250 nan 0.000 0.475 327 P HA 0.086 nan 4.420 nan 0.000 0.281 327 P C -0.968 176.425 177.300 0.155 0.000 1.249 327 P CA -0.532 62.682 63.100 0.189 0.000 0.810 327 P CB 1.299 33.064 31.700 0.108 0.000 1.008 328 V N 3.603 123.652 119.914 0.225 0.000 2.357 328 V HA 0.210 4.329 4.120 -0.001 0.000 0.284 328 V C 0.133 176.366 176.094 0.232 0.000 1.018 328 V CA -0.541 61.854 62.300 0.159 0.000 0.841 328 V CB 1.016 32.899 31.823 0.100 0.000 0.991 328 V HN 0.349 nan 8.190 nan 0.000 0.437 329 L N 6.671 128.003 121.223 0.181 0.000 2.280 329 L HA 0.550 4.890 4.340 -0.001 0.000 0.287 329 L C -0.193 176.875 176.870 0.330 0.000 1.023 329 L CA 0.146 55.131 54.840 0.242 0.000 0.819 329 L CB 1.285 43.360 42.059 0.026 0.000 1.212 329 L HN 0.462 nan 8.230 nan 0.000 0.420 330 I N 6.241 127.023 120.570 0.353 0.000 2.312 330 I HA 0.343 4.512 4.170 -0.001 0.000 0.290 330 I C -2.053 174.150 176.117 0.143 0.000 1.008 330 I CA -1.774 59.657 61.300 0.218 0.000 1.226 330 I CB 1.557 39.621 38.000 0.107 0.000 1.371 330 I HN 0.400 nan 8.210 nan 0.000 0.468 331 P HA 0.212 nan 4.420 nan 0.000 0.279 331 P C -0.113 177.068 177.300 -0.199 0.000 1.239 331 P CA -0.254 62.636 63.100 -0.350 0.000 0.789 331 P CB 1.192 32.799 31.700 -0.154 0.000 0.933 332 I N 2.334 122.757 120.570 -0.244 0.000 2.741 332 I HA -0.089 4.081 4.170 -0.001 0.000 0.288 332 I C 1.385 177.478 176.117 -0.040 0.000 1.192 332 I CA 1.198 62.447 61.300 -0.086 0.000 1.426 332 I CB -0.290 37.670 38.000 -0.066 0.000 1.367 332 I HN 0.670 nan 8.210 nan 0.000 0.563 333 A N 4.115 126.937 122.820 0.003 0.000 3.384 333 A HA -0.074 4.245 4.320 -0.001 0.000 0.260 333 A C 0.875 178.467 177.584 0.012 0.000 1.168 333 A CA 0.775 52.822 52.037 0.018 0.000 1.253 333 A CB -2.179 16.836 19.000 0.024 0.000 1.122 333 A HN 2.106 nan 8.150 nan 0.000 0.934 334 G N -1.144 107.657 108.800 0.001 0.000 2.814 334 G HA2 0.255 4.214 3.960 -0.001 0.000 0.677 334 G HA3 0.255 4.214 3.960 -0.001 0.000 0.677 334 G C -0.437 174.475 174.900 0.020 0.000 1.429 334 G CA 0.643 45.749 45.100 0.012 0.000 0.868 334 G HN 2.346 nan 8.290 nan 0.000 0.553 335 E N -0.005 120.213 120.200 0.030 0.000 2.415 335 E HA 0.421 4.771 4.350 -0.001 0.000 0.262 335 E C 1.391 178.010 176.600 0.031 0.000 1.038 335 E CA 0.396 56.818 56.400 0.037 0.000 0.921 335 E CB 0.575 30.300 29.700 0.042 0.000 0.950 335 E HN 2.533 nan 8.360 nan 0.000 0.438 336 G N 1.604 110.423 108.800 0.033 0.000 2.184 336 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.264 336 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.264 336 G C 0.458 175.374 174.900 0.027 0.000 0.975 336 G CA 0.122 45.239 45.100 0.029 0.000 0.642 336 G HN 1.053 nan 8.290 nan 0.000 0.536 337 A N 0.145 122.981 122.820 0.027 0.000 2.406 337 A HA 0.685 5.004 4.320 -0.001 0.000 0.243 337 A C 1.111 178.713 177.584 0.030 0.000 1.082 337 A CA 1.018 53.071 52.037 0.027 0.000 0.786 337 A CB 0.304 19.318 19.000 0.024 0.000 1.029 337 A HN 2.000 nan 8.150 nan 0.000 0.495 338 S N 0.147 115.866 115.700 0.030 0.000 2.652 338 S HA 0.276 4.746 4.470 -0.001 0.000 0.270 338 S C 0.814 175.437 174.600 0.038 0.000 1.243 338 S CA 0.102 58.322 58.200 0.032 0.000 0.999 338 S CB 1.166 64.383 63.200 0.029 0.000 0.973 338 S HN 0.750 nan 8.310 nan 0.000 0.544 339 Q N 0.868 120.692 119.800 0.041 0.000 2.124 339 Q HA -0.044 4.295 4.340 -0.001 0.000 0.202 339 Q C 1.887 177.920 176.000 0.054 0.000 0.977 339 Q CA 2.012 57.845 55.803 0.050 0.000 0.850 339 Q CB -0.607 28.162 28.738 0.051 0.000 0.901 339 Q HN 0.869 nan 8.270 nan 0.000 0.429 340 M N -0.330 119.297 119.600 0.044 0.000 2.108 340 M HA -0.192 4.288 4.480 -0.001 0.000 0.261 340 M C 1.903 178.235 176.300 0.054 0.000 1.066 340 M CA 1.937 57.264 55.300 0.044 0.000 1.107 340 M CB -0.322 32.297 32.600 0.032 0.000 1.356 340 M HN 0.255 nan 8.290 nan 0.000 0.406 341 E N 0.529 120.759 120.200 0.049 0.000 2.077 341 E HA -0.153 4.197 4.350 -0.001 0.000 0.193 341 E C 1.912 178.551 176.600 0.065 0.000 0.989 341 E CA 1.161 57.594 56.400 0.055 0.000 0.800 341 E CB -0.194 29.532 29.700 0.043 0.000 0.746 341 E HN 0.524 nan 8.360 nan 0.000 0.452 342 I N 1.225 121.829 120.570 0.057 0.000 2.252 342 I HA -0.252 3.917 4.170 -0.001 0.000 0.245 342 I C 2.203 178.367 176.117 0.078 0.000 1.102 342 I CA 1.232 62.565 61.300 0.053 0.000 1.385 342 I CB -0.204 37.822 38.000 0.044 0.000 1.064 342 I HN 0.094 nan 8.210 nan 0.000 0.414 343 E N 0.616 120.873 120.200 0.095 0.000 2.047 343 E HA -0.205 4.145 4.350 -0.001 0.000 0.191 343 E C 2.365 179.046 176.600 0.135 0.000 0.987 343 E CA 1.064 57.539 56.400 0.124 0.000 0.799 343 E CB -0.056 29.709 29.700 0.109 0.000 0.752 343 E HN 0.395 nan 8.360 nan 0.000 0.449 344 R N 0.854 121.430 120.500 0.127 0.000 2.073 344 R HA -0.111 4.229 4.340 -0.001 0.000 0.234 344 R C 2.209 178.683 176.300 0.289 0.000 1.134 344 R CA 1.326 57.544 56.100 0.196 0.000 0.952 344 R CB -0.102 30.295 30.300 0.161 0.000 0.850 344 R HN 0.199 nan 8.270 nan 0.000 0.433 345 E N -0.439 119.878 120.200 0.195 0.000 2.274 345 E HA -0.080 4.270 4.350 -0.001 0.000 0.194 345 E C 1.681 178.366 176.600 0.141 0.000 0.996 345 E CA 1.072 57.587 56.400 0.191 0.000 0.840 345 E CB 0.125 29.900 29.700 0.126 0.000 0.772 345 E HN 0.301 nan 8.360 nan 0.000 0.491 346 T N -0.079 114.525 114.554 0.084 0.000 2.812 346 T HA -0.147 4.203 4.350 -0.001 0.000 0.264 346 T C 1.663 176.325 174.700 -0.064 0.000 1.042 346 T CA 1.294 63.373 62.100 -0.035 0.000 1.140 346 T CB -0.286 68.538 68.868 -0.072 0.000 0.870 346 T HN 0.268 nan 8.240 nan 0.000 0.445 347 H N 0.397 119.422 119.070 -0.074 0.000 2.353 347 H HA -0.030 4.526 4.556 -0.001 0.000 0.298 347 H C 0.672 175.782 175.328 -0.363 0.000 1.103 347 H CA 1.397 57.326 56.048 -0.198 0.000 1.293 347 H CB -0.403 29.234 29.762 -0.209 0.000 1.372 347 H HN 0.357 nan 8.280 nan 0.000 0.501 348 F N 1.458 121.416 119.950 0.013 0.000 2.873 348 F HA 0.118 4.644 4.527 -0.000 0.000 0.289 348 F C 0.216 176.008 175.800 -0.014 0.000 1.206 348 F CA -0.009 57.981 58.000 -0.016 0.000 1.401 348 F CB -0.034 38.996 39.000 0.051 0.000 0.996 348 F HN 0.128 nan 8.300 nan 0.000 0.511 349 D N -0.013 120.355 120.400 -0.053 0.000 2.689 349 D HA -0.195 4.445 4.640 -0.001 0.000 0.237 349 D C 1.642 177.915 176.300 -0.044 0.000 1.148 349 D CA 0.821 54.768 54.000 -0.088 0.000 0.656 349 D CB -1.026 39.730 40.800 -0.074 0.000 1.050 349 D HN 0.583 nan 8.370 nan 0.000 0.426 350 G N 0.064 108.877 108.800 0.020 0.000 2.498 350 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.219 350 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.219 350 G C 1.593 176.612 174.900 0.200 0.000 1.119 350 G CA 1.437 46.601 45.100 0.107 0.000 0.766 350 G HN 0.510 nan 8.290 nan 0.000 0.552 351 T N -2.632 111.984 114.554 0.103 0.000 3.067 351 T HA 0.079 4.429 4.350 -0.001 0.000 0.257 351 T C 1.365 176.209 174.700 0.239 0.000 1.105 351 T CA 0.085 62.303 62.100 0.196 0.000 1.104 351 T CB -0.113 68.839 68.868 0.140 0.000 0.925 351 T HN 0.195 nan 8.240 nan 0.000 0.498 352 N N 1.136 119.872 118.700 0.059 0.000 3.210 352 N HA 0.057 4.797 4.740 -0.001 0.000 0.314 352 N C -1.237 174.192 175.510 -0.135 0.000 1.291 352 N CA -0.141 52.897 53.050 -0.019 0.000 1.202 352 N CB -0.227 38.195 38.487 -0.108 0.000 1.475 352 N HN 0.423 nan 8.380 nan 0.000 0.554 353 Y N 0.247 120.554 120.300 0.013 0.000 2.335 353 Y HA 0.311 4.861 4.550 -0.000 0.000 0.323 353 Y C 0.351 176.275 175.900 0.040 0.000 1.224 353 Y CA -0.818 57.287 58.100 0.008 0.000 1.241 353 Y CB 1.056 39.529 38.460 0.022 0.000 1.235 353 Y HN 0.119 nan 8.280 nan 0.000 0.492 354 L N 2.616 123.955 121.223 0.193 0.000 2.272 354 L HA 0.753 5.093 4.340 -0.001 0.000 0.289 354 L C -0.372 176.594 176.870 0.160 0.000 1.032 354 L CA -0.665 54.270 54.840 0.157 0.000 0.810 354 L CB 0.458 42.621 42.059 0.175 0.000 1.205 354 L HN 0.662 nan 8.230 nan 0.000 0.422 355 A N 5.752 128.642 122.820 0.117 0.000 2.320 355 A HA 0.463 4.783 4.320 -0.001 0.000 0.287 355 A C 0.817 178.439 177.584 0.065 0.000 1.181 355 A CA -0.253 51.831 52.037 0.079 0.000 0.831 355 A CB -0.022 19.006 19.000 0.046 0.000 1.102 355 A HN 0.963 nan 8.150 nan 0.000 0.513 356 I N -1.193 119.408 120.570 0.052 0.000 4.070 356 I HA 0.402 4.572 4.170 -0.001 0.000 0.328 356 I C 0.481 176.608 176.117 0.017 0.000 1.298 356 I CA -0.124 61.198 61.300 0.036 0.000 1.173 356 I CB 0.040 38.058 38.000 0.030 0.000 1.051 356 I HN 0.512 nan 8.210 nan 0.000 0.409 357 R N 0.597 121.099 120.500 0.004 0.000 2.690 357 R HA 0.393 4.733 4.340 -0.001 0.000 0.269 357 R C -2.966 173.310 176.300 -0.039 0.000 1.037 357 R CA -1.724 54.364 56.100 -0.020 0.000 0.877 357 R CB 1.155 31.443 30.300 -0.020 0.000 1.255 357 R HN -0.241 nan 8.270 nan 0.000 0.467 358 P HA -0.012 nan 4.420 nan 0.000 0.260 358 P C 0.511 177.769 177.300 -0.071 0.000 1.185 358 P CA 1.352 64.396 63.100 -0.094 0.000 0.763 358 P CB 0.357 31.974 31.700 -0.139 0.000 0.776 359 G N 1.876 110.634 108.800 -0.070 0.000 2.155 359 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.257 359 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.257 359 G C -0.064 174.811 174.900 -0.041 0.000 0.983 359 G CA -0.109 44.955 45.100 -0.061 0.000 0.676 359 G HN 0.517 nan 8.290 nan 0.000 0.528 360 V N 0.753 120.653 119.914 -0.025 0.000 2.443 360 V HA 0.702 4.821 4.120 -0.001 0.000 0.293 360 V C 0.384 176.494 176.094 0.027 0.000 1.021 360 V CA -0.290 62.009 62.300 -0.002 0.000 0.848 360 V CB 1.648 33.472 31.823 0.001 0.000 0.998 360 V HN 1.142 nan 8.190 nan 0.000 0.424 361 V N 3.249 123.191 119.914 0.047 0.000 3.001 361 V HA 0.744 4.864 4.120 -0.001 0.000 0.314 361 V C -0.705 175.513 176.094 0.207 0.000 1.099 361 V CA -0.854 61.520 62.300 0.123 0.000 0.989 361 V CB 2.473 34.362 31.823 0.111 0.000 1.040 361 V HN 0.625 nan 8.190 nan 0.000 0.434 362 I N 1.953 122.693 120.570 0.284 0.000 2.465 362 I HA 0.893 5.063 4.170 -0.001 0.000 0.291 362 I C 0.471 176.767 176.117 0.298 0.000 1.014 362 I CA -0.251 61.245 61.300 0.327 0.000 1.093 362 I CB 1.813 40.026 38.000 0.354 0.000 1.267 362 I HN 1.105 nan 8.210 nan 0.000 0.431 363 G N 3.980 112.893 108.800 0.189 0.000 2.559 363 G HA2 0.390 4.350 3.960 -0.001 0.000 0.291 363 G HA3 0.390 4.350 3.960 -0.001 0.000 0.291 363 G C -1.627 173.013 174.900 -0.435 0.000 1.424 363 G CA -0.662 44.209 45.100 -0.382 0.000 0.786 363 G HN 0.408 nan 8.290 nan 0.000 0.485 364 Y N 1.162 121.102 120.300 -0.599 0.000 2.610 364 Y HA 0.112 4.661 4.550 -0.001 0.000 0.332 364 Y C 2.268 177.983 175.900 -0.307 0.000 1.201 364 Y CA 0.303 58.030 58.100 -0.621 0.000 1.465 364 Y CB 1.221 39.427 38.460 -0.423 0.000 1.283 364 Y HN 0.618 nan 8.280 nan 0.000 0.563 365 S N 3.149 118.796 115.700 -0.087 0.000 2.423 365 S HA -0.228 4.241 4.470 -0.001 0.000 0.231 365 S C 1.843 176.463 174.600 0.034 0.000 1.014 365 S CA 0.952 59.158 58.200 0.011 0.000 0.965 365 S CB -0.318 62.920 63.200 0.063 0.000 0.785 365 S HN 0.834 nan 8.310 nan 0.000 0.495 366 R N 2.095 122.586 120.500 -0.016 0.000 2.117 366 R HA -0.039 4.300 4.340 -0.001 0.000 0.243 366 R C 0.189 176.476 176.300 -0.021 0.000 1.143 366 R CA 1.548 57.604 56.100 -0.073 0.000 0.968 366 R CB -0.963 29.199 30.300 -0.231 0.000 0.863 366 R HN 0.304 nan 8.270 nan 0.000 0.444 367 N N 2.589 121.318 118.700 0.049 0.000 3.178 367 N HA -0.034 4.706 4.740 -0.001 0.000 0.300 367 N C 0.392 175.959 175.510 0.096 0.000 1.242 367 N CA 0.345 53.450 53.050 0.092 0.000 1.192 367 N CB 0.830 39.409 38.487 0.154 0.000 1.463 367 N HN 0.585 nan 8.380 nan 0.000 0.539 368 E N 0.794 121.028 120.200 0.057 0.000 2.118 368 E HA -0.196 4.154 4.350 -0.001 0.000 0.195 368 E C 0.932 177.561 176.600 0.048 0.000 0.992 368 E CA 1.046 57.476 56.400 0.051 0.000 0.804 368 E CB 0.006 29.724 29.700 0.031 0.000 0.741 368 E HN 0.278 nan 8.360 nan 0.000 0.458 369 K N 0.273 120.700 120.400 0.046 0.000 2.148 369 K HA -0.027 4.292 4.320 -0.001 0.000 0.204 369 K C 2.230 178.852 176.600 0.038 0.000 1.050 369 K CA 1.583 57.892 56.287 0.038 0.000 0.942 369 K CB -0.075 32.446 32.500 0.036 0.000 0.724 369 K HN 0.132 nan 8.250 nan 0.000 0.446 370 T N 1.471 116.060 114.554 0.060 0.000 2.857 370 T HA -0.055 4.295 4.350 -0.001 0.000 0.266 370 T C 1.559 176.270 174.700 0.019 0.000 1.048 370 T CA 0.971 63.103 62.100 0.054 0.000 1.139 370 T CB -0.144 68.800 68.868 0.128 0.000 0.874 370 T HN 0.173 nan 8.240 nan 0.000 0.455 371 N N 1.621 120.355 118.700 0.058 0.000 2.120 371 N HA -0.020 4.720 4.740 -0.001 0.000 0.188 371 N C 2.136 177.642 175.510 -0.008 0.000 1.024 371 N CA 1.363 54.428 53.050 0.024 0.000 0.852 371 N CB -0.594 37.938 38.487 0.076 0.000 1.003 371 N HN 0.410 nan 8.380 nan 0.000 0.424 372 A N 0.980 123.806 122.820 0.010 0.000 1.902 372 A HA -0.012 4.308 4.320 -0.001 0.000 0.217 372 A C 2.357 179.936 177.584 -0.007 0.000 1.181 372 A CA 2.040 54.080 52.037 0.004 0.000 0.623 372 A CB -0.871 18.137 19.000 0.013 0.000 0.818 372 A HN 0.326 nan 8.150 nan 0.000 0.443 373 A N -0.453 122.361 122.820 -0.009 0.000 1.933 373 A HA -0.007 4.312 4.320 -0.001 0.000 0.218 373 A C 2.169 179.733 177.584 -0.033 0.000 1.175 373 A CA 1.429 53.459 52.037 -0.012 0.000 0.628 373 A CB -0.530 18.466 19.000 -0.006 0.000 0.814 373 A HN 0.481 nan 8.150 nan 0.000 0.444 374 L N -0.770 120.410 121.223 -0.072 0.000 2.027 374 L HA -0.156 4.184 4.340 -0.001 0.000 0.206 374 L C 2.715 179.542 176.870 -0.072 0.000 1.074 374 L CA 1.251 56.024 54.840 -0.111 0.000 0.745 374 L CB -0.546 41.376 42.059 -0.228 0.000 0.898 374 L HN 0.345 nan 8.230 nan 0.000 0.433 375 E N 0.331 120.500 120.200 -0.052 0.000 2.058 375 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 375 E C 2.265 178.854 176.600 -0.020 0.000 0.997 375 E CA 1.483 57.865 56.400 -0.031 0.000 0.801 375 E CB -0.241 29.450 29.700 -0.016 0.000 0.746 375 E HN 0.459 nan 8.360 nan 0.000 0.450 376 A N 1.187 123.999 122.820 -0.013 0.000 2.024 376 A HA -0.073 4.247 4.320 -0.001 0.000 0.220 376 A C 2.214 179.796 177.584 -0.003 0.000 1.164 376 A CA 1.745 53.779 52.037 -0.004 0.000 0.643 376 A CB -0.324 18.677 19.000 0.003 0.000 0.806 376 A HN 0.227 nan 8.150 nan 0.000 0.451 377 A N -1.891 120.923 122.820 -0.010 0.000 2.238 377 A HA 0.428 4.747 4.320 -0.001 0.000 0.208 377 A C 1.651 179.227 177.584 -0.014 0.000 1.177 377 A CA 1.104 53.138 52.037 -0.006 0.000 0.804 377 A CB -0.888 18.110 19.000 -0.004 0.000 0.823 377 A HN 1.862 nan 8.150 nan 0.000 0.482 378 G N -1.029 107.760 108.800 -0.019 0.000 2.141 378 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.231 378 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.231 378 G C -0.004 174.877 174.900 -0.032 0.000 0.984 378 G CA 0.169 45.256 45.100 -0.021 0.000 0.660 378 G HN 0.438 nan 8.290 nan 0.000 0.525 379 I N 0.661 121.205 120.570 -0.045 0.000 2.359 379 I HA 0.346 4.516 4.170 -0.001 0.000 0.294 379 I C 0.587 176.674 176.117 -0.050 0.000 0.987 379 I CA -0.838 60.428 61.300 -0.058 0.000 1.225 379 I CB 1.680 39.626 38.000 -0.090 0.000 1.366 379 I HN 0.063 nan 8.210 nan 0.000 0.466 380 K N 5.975 126.354 120.400 -0.034 0.000 2.312 380 K HA 0.416 4.735 4.320 -0.001 0.000 0.287 380 K C -1.184 175.411 176.600 -0.009 0.000 1.062 380 K CA -0.364 55.913 56.287 -0.017 0.000 0.934 380 K CB 0.859 33.355 32.500 -0.006 0.000 1.027 380 K HN 0.401 nan 8.250 nan 0.000 0.478 381 V N 6.730 126.645 119.914 0.001 0.000 2.398 381 V HA 0.269 4.389 4.120 -0.001 0.000 0.286 381 V C -0.158 175.978 176.094 0.070 0.000 1.026 381 V CA -0.812 61.510 62.300 0.036 0.000 0.868 381 V CB 1.243 33.079 31.823 0.022 0.000 0.982 381 V HN 0.696 nan 8.190 nan 0.000 0.443 382 L N 8.080 129.370 121.223 0.112 0.000 2.360 382 L HA 0.392 4.732 4.340 -0.001 0.000 0.265 382 L C -2.070 174.901 176.870 0.169 0.000 1.066 382 L CA -1.428 53.481 54.840 0.115 0.000 0.929 382 L CB 1.121 43.247 42.059 0.111 0.000 1.306 382 L HN 0.452 nan 8.230 nan 0.000 0.434 383 P HA 0.246 nan 4.420 nan 0.000 0.274 383 P C -0.981 176.391 177.300 0.120 0.000 1.237 383 P CA -0.112 63.044 63.100 0.094 0.000 0.793 383 P CB 1.128 32.840 31.700 0.020 0.000 0.977 384 F N -1.334 118.585 119.950 -0.051 0.000 2.641 384 F HA 0.446 4.972 4.527 -0.001 0.000 0.308 384 F C -0.880 174.888 175.800 -0.054 0.000 1.105 384 F CA -1.135 56.807 58.000 -0.097 0.000 0.964 384 F CB 0.861 39.887 39.000 0.043 0.000 1.294 384 F HN 0.184 nan 8.300 nan 0.000 0.442 385 H N 2.024 121.167 119.070 0.122 0.000 2.742 385 H HA 0.493 5.049 4.556 -0.001 0.000 0.302 385 H C 0.399 175.715 175.328 -0.020 0.000 1.069 385 H CA -0.122 55.904 56.048 -0.037 0.000 1.446 385 H CB 1.366 31.136 29.762 0.014 0.000 1.462 385 H HN 1.016 nan 8.280 nan 0.000 0.499 386 G N 3.129 111.828 108.800 -0.168 0.000 4.921 386 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.248 386 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.248 386 G C 0.765 175.343 174.900 -0.538 0.000 1.026 386 G CA -0.421 44.554 45.100 -0.208 0.000 0.825 386 G HN 0.365 nan 8.290 nan 0.000 0.538 387 N N 0.631 119.125 118.700 -0.345 0.000 2.104 387 N HA -0.128 4.611 4.740 -0.001 0.000 0.190 387 N C 2.199 177.595 175.510 -0.190 0.000 1.024 387 N CA 1.050 53.904 53.050 -0.327 0.000 0.853 387 N CB 0.114 38.462 38.487 -0.232 0.000 1.008 387 N HN 0.251 nan 8.380 nan 0.000 0.424 388 Q N 0.678 120.417 119.800 -0.101 0.000 2.046 388 Q HA 0.038 4.378 4.340 -0.001 0.000 0.200 388 Q C 2.467 178.490 176.000 0.038 0.000 0.975 388 Q CA 0.664 56.455 55.803 -0.019 0.000 0.836 388 Q CB -0.661 28.064 28.738 -0.020 0.000 0.896 388 Q HN 0.420 nan 8.270 nan 0.000 0.428 389 L N 1.199 122.432 121.223 0.017 0.000 2.043 389 L HA -0.223 4.117 4.340 -0.001 0.000 0.212 389 L C 2.536 179.602 176.870 0.327 0.000 1.075 389 L CA 1.604 56.542 54.840 0.164 0.000 0.752 389 L CB -0.757 41.448 42.059 0.244 0.000 0.891 389 L HN 0.277 nan 8.230 nan 0.000 0.432 390 S N -0.022 115.677 115.700 -0.001 0.000 2.440 390 S HA -0.156 4.314 4.470 -0.001 0.000 0.238 390 S C 1.855 176.627 174.600 0.286 0.000 1.010 390 S CA 0.862 59.132 58.200 0.116 0.000 0.972 390 S CB -0.635 62.422 63.200 -0.238 0.000 0.774 390 S HN 0.431 nan 8.310 nan 0.000 0.501 391 L N 1.023 122.412 121.223 0.277 0.000 2.362 391 L HA 0.068 4.408 4.340 -0.001 0.000 0.219 391 L C 2.622 179.674 176.870 0.303 0.000 1.134 391 L CA 0.836 55.849 54.840 0.289 0.000 0.807 391 L CB -0.844 41.378 42.059 0.273 0.000 0.927 391 L HN 0.552 nan 8.230 nan 0.000 0.447 392 G N -1.055 108.001 108.800 0.428 0.000 2.848 392 G HA2 0.040 4.000 3.960 -0.001 0.000 0.208 392 G HA3 0.040 4.000 3.960 -0.001 0.000 0.208 392 G C 0.957 175.776 174.900 -0.136 0.000 1.152 392 G CA -0.302 44.913 45.100 0.191 0.000 0.789 392 G HN 0.412 nan 8.290 nan 0.000 0.531 393 M N -1.259 118.315 119.600 -0.044 0.000 2.417 393 M HA -0.132 4.347 4.480 -0.001 0.000 0.205 393 M C 0.378 176.478 176.300 -0.334 0.000 0.452 393 M CA 0.606 55.766 55.300 -0.233 0.000 0.512 393 M CB -2.037 30.360 32.600 -0.338 0.000 1.774 393 M HN 0.390 nan 8.290 nan 0.000 0.874 394 G N -0.135 108.617 108.800 -0.080 0.000 2.742 394 G HA2 0.623 4.582 3.960 -0.001 0.000 0.296 394 G HA3 0.623 4.582 3.960 -0.001 0.000 0.296 394 G C -1.166 173.913 174.900 0.298 0.000 1.436 394 G CA -0.435 44.624 45.100 -0.069 0.000 0.928 394 G HN 0.198 nan 8.290 nan 0.000 0.520 395 N N -0.112 118.587 118.700 -0.003 0.000 2.823 395 N HA 0.594 5.333 4.740 -0.001 0.000 0.324 395 N C 1.887 177.163 175.510 -0.389 0.000 1.336 395 N CA 0.052 52.808 53.050 -0.491 0.000 0.861 395 N CB 1.754 39.882 38.487 -0.598 0.000 1.157 395 N HN 0.486 nan 8.380 nan 0.000 0.585 396 A N 0.606 123.081 122.820 -0.575 0.000 1.940 396 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 396 A C 2.168 179.695 177.584 -0.096 0.000 1.176 396 A CA 1.500 53.299 52.037 -0.397 0.000 0.631 396 A CB -0.520 18.328 19.000 -0.253 0.000 0.814 396 A HN 0.719 nan 8.150 nan 0.000 0.446 397 R N -0.682 119.776 120.500 -0.070 0.000 2.081 397 R HA -0.159 4.180 4.340 -0.001 0.000 0.235 397 R C 2.079 178.382 176.300 0.006 0.000 1.131 397 R CA 1.912 58.011 56.100 -0.001 0.000 0.960 397 R CB -0.663 29.631 30.300 -0.009 0.000 0.856 397 R HN 0.560 nan 8.270 nan 0.000 0.436 398 C N 0.386 119.692 119.300 0.011 0.000 2.419 398 C HA -0.030 4.430 4.460 -0.001 0.000 0.281 398 C C 2.037 177.175 174.990 0.246 0.000 1.336 398 C CA 0.605 59.676 59.018 0.088 0.000 1.770 398 C CB -0.594 27.195 27.740 0.082 0.000 1.929 398 C HN 0.527 nan 8.230 nan 0.000 0.509 399 M N 0.933 120.662 119.600 0.215 0.000 2.551 399 M HA 0.107 4.586 4.480 -0.001 0.000 0.252 399 M C 0.312 176.785 176.300 0.288 0.000 1.219 399 M CA 0.277 55.724 55.300 0.246 0.000 0.978 399 M CB -0.297 32.416 32.600 0.189 0.000 1.533 399 M HN 0.466 nan 8.290 nan 0.000 0.474 400 S N 0.491 116.301 115.700 0.183 0.000 2.556 400 S HA 0.774 5.243 4.470 -0.001 0.000 0.271 400 S C -0.975 173.640 174.600 0.025 0.000 1.135 400 S CA -0.944 57.342 58.200 0.143 0.000 0.858 400 S CB 2.526 65.845 63.200 0.198 0.000 1.114 400 S HN 0.223 nan 8.310 nan 0.000 0.468 401 M N 1.669 121.266 119.600 -0.006 0.000 2.073 401 M HA 0.534 5.013 4.480 -0.001 0.000 0.261 401 M C -3.211 173.104 176.300 0.024 0.000 0.928 401 M CA -2.061 53.196 55.300 -0.072 0.000 1.006 401 M CB 1.166 33.601 32.600 -0.276 0.000 1.893 401 M HN 0.372 nan 8.290 nan 0.000 0.440 402 P HA 0.065 nan 4.420 nan 0.000 0.262 402 P C 0.153 177.566 177.300 0.188 0.000 1.182 402 P CA 0.324 63.489 63.100 0.108 0.000 0.761 402 P CB 0.489 32.249 31.700 0.100 0.000 0.795 403 L N 1.350 122.715 121.223 0.238 0.000 2.537 403 L HA 0.161 4.501 4.340 -0.001 0.000 0.224 403 L C 0.563 177.696 176.870 0.438 0.000 1.065 403 L CA 0.501 55.559 54.840 0.363 0.000 0.860 403 L CB 0.077 42.328 42.059 0.321 0.000 1.086 403 L HN 0.427 nan 8.230 nan 0.000 0.482 404 S N -0.302 115.616 115.700 0.364 0.000 2.563 404 S HA 0.586 5.056 4.470 -0.001 0.000 0.279 404 S C -0.864 173.906 174.600 0.284 0.000 1.155 404 S CA -0.947 57.471 58.200 0.364 0.000 0.928 404 S CB 2.297 65.729 63.200 0.387 0.000 1.107 404 S HN 0.093 nan 8.310 nan 0.000 0.462 405 R N 0.888 121.583 120.500 0.323 0.000 2.750 405 R HA 0.542 4.882 4.340 -0.001 0.000 0.281 405 R C -0.682 175.786 176.300 0.279 0.000 0.972 405 R CA -1.009 55.238 56.100 0.244 0.000 0.912 405 R CB 2.196 32.619 30.300 0.205 0.000 1.187 405 R HN 0.738 nan 8.270 nan 0.000 0.464 406 K N 1.168 121.661 120.400 0.156 0.000 2.258 406 K HA 0.027 4.347 4.320 -0.001 0.000 0.264 406 K C -0.435 176.237 176.600 0.120 0.000 1.007 406 K CA -0.256 56.096 56.287 0.109 0.000 0.941 406 K CB 0.598 33.123 32.500 0.041 0.000 0.966 406 K HN 0.418 nan 8.250 nan 0.000 0.480 407 D N 1.491 121.957 120.400 0.109 0.000 2.449 407 D HA -0.010 4.629 4.640 -0.001 0.000 0.236 407 D C -0.420 175.842 176.300 -0.063 0.000 1.149 407 D CA 0.178 54.220 54.000 0.071 0.000 0.878 407 D CB 0.958 41.794 40.800 0.059 0.000 1.198 407 D HN 0.091 nan 8.370 nan 0.000 0.446 408 V N 2.934 122.735 119.914 -0.188 0.000 2.509 408 V HA 0.091 4.211 4.120 -0.001 0.000 0.284 408 V C 0.661 176.456 176.094 -0.499 0.000 1.047 408 V CA -0.490 61.506 62.300 -0.508 0.000 0.952 408 V CB 1.317 32.452 31.823 -1.146 0.000 0.988 408 V HN 0.306 nan 8.190 nan 0.000 0.469 409 K N 4.971 125.152 120.400 -0.365 0.000 2.184 409 K HA 0.196 4.516 4.320 -0.001 0.000 0.259 409 K C -0.466 176.030 176.600 -0.174 0.000 1.119 409 K CA -0.097 56.082 56.287 -0.181 0.000 0.991 409 K CB 0.366 32.806 32.500 -0.100 0.000 1.522 409 K HN 0.564 nan 8.250 nan 0.000 0.405 410 W N 0.000 121.314 121.300 0.023 0.000 2.388 410 W HA 0.000 4.660 4.660 -0.001 0.000 0.303 410 W CA 0.000 57.359 57.345 0.024 0.000 1.226 410 W CB 0.000 29.480 29.460 0.034 0.000 1.126 410 W HN 0.000 nan 8.180 nan 0.000 0.535