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 2qvh_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLTGRAFAIP LRTRFRGITV REGXLVRGAA GWGEFSPFAE YGPRECARWW DATA SEQUENCE AACYEAAELG WPAPVRDTVP VNATVPAVGP EEAARIVASS GCTTAKVKVA DATA SEQUENCE ERGQSEANDV ARVEAVRDAL GPRGRVRIDV NGAWDVDTAV RXIRLLDRFE DATA SEQUENCE LEYVEQPCAT VDELAEVRRR VSVPIAADES IRRAEDPLRV RDAEAADVVV DATA SEQUENCE LKVQPLGGVR AALRLAEECG LPVVVSSAVE TSVGLAAGVA LAAALPELPY DATA SEQUENCE ACGLATLRLL HADVCDDPLL PVHGVLPVRR VDVSEQRLAE VEIDPAAWQA DATA SEQUENCE RLAAARAAWE Q 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 0.000 174.639 174.600 0.065 0.000 1.055 2 S CA 0.000 58.241 58.200 0.069 0.000 1.107 2 S CB 0.000 63.250 63.200 0.083 0.000 0.593 3 L N 0.105 121.374 121.223 0.078 0.000 1.315 3 L HA 0.324 4.721 4.340 0.095 0.000 0.105 3 L C 1.411 178.328 176.870 0.079 0.000 1.415 3 L CA 1.477 56.357 54.840 0.067 0.000 1.170 3 L CB -0.185 41.902 42.059 0.047 0.000 2.420 3 L HN 0.924 nan 8.230 nan 0.000 0.465 4 T N -3.095 111.507 114.554 0.081 0.000 3.115 4 T HA 0.482 4.889 4.350 0.095 0.000 0.256 4 T C 0.910 175.694 174.700 0.139 0.000 0.970 4 T CA 0.454 62.596 62.100 0.070 0.000 1.010 4 T CB 0.076 68.953 68.868 0.015 0.000 1.151 4 T HN 0.370 nan 8.240 nan 0.000 0.479 5 G N 1.799 110.685 108.800 0.143 0.000 2.384 5 G HA2 0.665 4.682 3.960 0.095 0.000 0.316 5 G HA3 0.665 4.682 3.960 0.095 0.000 0.316 5 G C -0.882 174.125 174.900 0.178 0.000 1.160 5 G CA -0.833 44.379 45.100 0.186 0.000 0.936 5 G HN 0.338 nan 8.290 nan 0.000 0.455 6 R N 1.328 121.951 120.500 0.205 0.000 2.686 6 R HA 0.668 5.065 4.340 0.095 0.000 0.286 6 R C -0.323 176.034 176.300 0.094 0.000 0.969 6 R CA -0.753 55.436 56.100 0.148 0.000 0.898 6 R CB 2.458 32.849 30.300 0.150 0.000 1.183 6 R HN 0.597 nan 8.270 nan 0.000 0.456 7 A N 2.848 125.678 122.820 0.018 0.000 2.304 7 A HA 0.706 5.083 4.320 0.095 0.000 0.301 7 A C -0.612 176.913 177.584 -0.099 0.000 1.132 7 A CA -0.393 51.524 52.037 -0.199 0.000 0.819 7 A CB 0.277 19.191 19.000 -0.143 0.000 1.094 7 A HN 0.632 nan 8.150 nan 0.000 0.492 8 F N -1.214 118.590 119.950 -0.244 0.000 2.613 8 F HA 0.837 5.415 4.527 0.085 0.000 0.314 8 F C -0.307 175.416 175.800 -0.127 0.000 1.075 8 F CA -1.189 56.721 58.000 -0.149 0.000 0.945 8 F CB 1.736 40.648 39.000 -0.147 0.000 1.310 8 F HN 0.753 nan 8.300 nan 0.000 0.467 9 A N 3.195 126.137 122.820 0.204 0.000 2.499 9 A HA 0.738 5.115 4.320 0.095 0.000 0.280 9 A C -1.494 176.206 177.584 0.194 0.000 1.135 9 A CA -0.404 51.722 52.037 0.149 0.000 0.744 9 A CB 0.228 19.278 19.000 0.083 0.000 1.213 9 A HN 0.756 nan 8.150 nan 0.000 0.434 10 I N 4.558 125.271 120.570 0.238 0.000 2.389 10 I HA 0.379 4.606 4.170 0.095 0.000 0.288 10 I C -2.200 174.009 176.117 0.152 0.000 0.999 10 I CA -2.328 59.068 61.300 0.161 0.000 1.129 10 I CB 2.584 40.652 38.000 0.112 0.000 1.288 10 I HN 0.419 nan 8.210 nan 0.000 0.444 11 P HA 0.189 nan 4.420 nan 0.000 0.275 11 P C -0.893 176.541 177.300 0.223 0.000 1.227 11 P CA -0.388 62.826 63.100 0.190 0.000 0.781 11 P CB 1.185 32.996 31.700 0.184 0.000 0.906 12 L N 3.802 125.115 121.223 0.150 0.000 2.421 12 L HA 0.313 4.710 4.340 0.095 0.000 0.263 12 L C 2.147 178.961 176.870 -0.094 0.000 1.122 12 L CA 0.006 54.858 54.840 0.019 0.000 0.804 12 L CB 0.054 42.146 42.059 0.055 0.000 1.150 12 L HN 0.311 nan 8.230 nan 0.000 0.457 13 R N -0.527 119.749 120.500 -0.373 0.000 2.235 13 R HA 0.054 4.451 4.340 0.095 0.000 0.213 13 R C 0.030 176.276 176.300 -0.091 0.000 1.059 13 R CA 0.700 56.532 56.100 -0.447 0.000 0.997 13 R CB 0.050 30.073 30.300 -0.461 0.000 0.884 13 R HN 0.672 nan 8.270 nan 0.000 0.462 14 T N -0.732 113.799 114.554 -0.039 0.000 2.977 14 T HA 0.109 4.516 4.350 0.095 0.000 0.345 14 T C -1.537 173.208 174.700 0.073 0.000 1.562 14 T CA -0.826 61.289 62.100 0.025 0.000 1.090 14 T CB 1.254 70.129 68.868 0.012 0.000 1.383 14 T HN 0.135 nan 8.240 nan 0.000 0.484 15 R N 2.706 123.256 120.500 0.082 0.000 2.504 15 R HA 0.310 4.707 4.340 0.095 0.000 0.291 15 R C -1.314 175.091 176.300 0.174 0.000 0.974 15 R CA 0.417 56.576 56.100 0.098 0.000 1.077 15 R CB -0.060 30.272 30.300 0.053 0.000 0.926 15 R HN 0.482 nan 8.270 nan 0.000 0.407 16 F N 4.336 124.275 119.950 -0.019 0.000 2.574 16 F HA 0.279 4.828 4.527 0.036 0.000 0.313 16 F C 0.010 175.773 175.800 -0.062 0.000 1.130 16 F CA -0.890 57.090 58.000 -0.033 0.000 0.936 16 F CB 1.108 40.099 39.000 -0.016 0.000 1.219 16 F HN 0.757 nan 8.300 nan 0.000 0.445 17 R N 4.194 124.301 120.500 -0.656 0.000 3.416 17 R HA -0.192 4.205 4.340 0.095 0.000 0.263 17 R C 0.882 176.996 176.300 -0.310 0.000 1.053 17 R CA 1.102 56.872 56.100 -0.551 0.000 0.705 17 R CB -1.619 28.308 30.300 -0.623 0.000 1.124 17 R HN 1.912 nan 8.270 nan 0.000 0.444 18 G N -0.420 108.261 108.800 -0.198 0.000 2.196 18 G HA2 -0.349 3.668 3.960 0.095 0.000 0.268 18 G HA3 -0.349 3.668 3.960 0.095 0.000 0.268 18 G C 0.295 175.158 174.900 -0.061 0.000 0.975 18 G CA 0.840 45.869 45.100 -0.119 0.000 0.648 18 G HN 0.791 nan 8.290 nan 0.000 0.538 19 I N -3.317 117.238 120.570 -0.025 0.000 2.910 19 I HA 0.877 5.104 4.170 0.095 0.000 0.310 19 I C 0.944 177.111 176.117 0.083 0.000 1.043 19 I CA -0.380 60.945 61.300 0.042 0.000 1.053 19 I CB 2.188 40.244 38.000 0.094 0.000 1.242 19 I HN 0.119 nan 8.210 nan 0.000 0.452 20 T N -0.260 114.346 114.554 0.088 0.000 3.058 20 T HA 0.421 4.828 4.350 0.095 0.000 0.278 20 T C 0.078 174.846 174.700 0.114 0.000 0.974 20 T CA -0.162 61.996 62.100 0.097 0.000 0.893 20 T CB -0.008 68.906 68.868 0.076 0.000 1.138 20 T HN 0.418 nan 8.240 nan 0.000 0.529 21 V N 1.205 121.193 119.914 0.123 0.000 2.777 21 V HA 0.646 4.823 4.120 0.095 0.000 0.306 21 V C -1.015 175.175 176.094 0.161 0.000 1.112 21 V CA -1.113 61.267 62.300 0.133 0.000 0.917 21 V CB 2.209 34.097 31.823 0.109 0.000 1.018 21 V HN 0.227 nan 8.190 nan 0.000 0.426 22 R N 2.825 123.434 120.500 0.182 0.000 2.229 22 R HA 0.578 4.975 4.340 0.095 0.000 0.332 22 R C -0.343 176.060 176.300 0.172 0.000 0.989 22 R CA 0.012 56.238 56.100 0.210 0.000 0.842 22 R CB 0.838 31.285 30.300 0.245 0.000 1.119 22 R HN 0.813 nan 8.270 nan 0.000 0.456 23 E N 1.691 121.893 120.200 0.003 0.000 2.221 23 E HA 0.740 5.147 4.350 0.095 0.000 0.268 23 E C -0.577 175.464 176.600 -0.932 0.000 0.933 23 E CA -0.923 55.261 56.400 -0.360 0.000 0.809 23 E CB 2.092 31.820 29.700 0.046 0.000 1.190 23 E HN 0.794 nan 8.360 nan 0.000 0.406 27 V N 2.293 122.479 119.914 0.454 0.000 2.540 27 V HA 0.585 4.762 4.120 0.095 0.000 0.302 27 V C -0.269 175.837 176.094 0.019 0.000 1.035 27 V CA -0.711 61.751 62.300 0.269 0.000 0.873 27 V CB 2.341 34.313 31.823 0.248 0.000 0.992 27 V HN 0.565 nan 8.190 nan 0.000 0.428 28 R N 2.204 122.495 120.500 -0.349 0.000 2.265 28 R HA 0.717 5.114 4.340 0.095 0.000 0.319 28 R C 0.119 176.150 176.300 -0.448 0.000 1.006 28 R CA 0.109 55.695 56.100 -0.858 0.000 0.880 28 R CB 1.336 30.932 30.300 -1.173 0.000 1.077 28 R HN 0.986 nan 8.270 nan 0.000 0.454 29 G N 0.600 109.143 108.800 -0.429 0.000 3.176 29 G HA2 0.467 4.484 3.960 0.095 0.000 0.272 29 G HA3 0.467 4.484 3.960 0.095 0.000 0.272 29 G C 0.190 174.915 174.900 -0.292 0.000 1.349 29 G CA 0.095 45.017 45.100 -0.296 0.000 0.953 29 G HN 0.497 nan 8.290 nan 0.000 0.559 30 A N -0.963 121.714 122.820 -0.237 0.000 2.015 30 A HA 0.304 4.681 4.320 0.095 0.000 0.219 30 A C 2.409 179.858 177.584 -0.225 0.000 1.163 30 A CA 2.528 54.444 52.037 -0.202 0.000 0.646 30 A CB -0.549 18.355 19.000 -0.161 0.000 0.806 30 A HN 1.349 nan 8.150 nan 0.000 0.448 31 A N -2.074 120.576 122.820 -0.284 0.000 2.095 31 A HA 0.505 4.882 4.320 0.095 0.000 0.212 31 A C 1.353 178.745 177.584 -0.320 0.000 1.162 31 A CA 1.482 53.331 52.037 -0.314 0.000 0.753 31 A CB -0.343 18.412 19.000 -0.408 0.000 0.840 31 A HN 1.789 nan 8.150 nan 0.000 0.468 32 G N -2.269 106.334 108.800 -0.327 0.000 2.288 32 G HA2 0.132 4.149 3.960 0.095 0.000 0.227 32 G HA3 0.132 4.149 3.960 0.095 0.000 0.227 32 G C -1.503 173.192 174.900 -0.340 0.000 1.339 32 G CA -0.579 44.345 45.100 -0.293 0.000 1.057 32 G HN 0.338 nan 8.290 nan 0.000 0.470 33 W N 0.874 122.114 121.300 -0.101 0.000 2.449 33 W HA 0.635 5.350 4.660 0.092 0.000 0.331 33 W C 0.618 177.129 176.519 -0.014 0.000 1.119 33 W CA 0.591 57.912 57.345 -0.040 0.000 1.240 33 W CB 1.994 31.452 29.460 -0.003 0.000 1.251 33 W HN 0.898 nan 8.180 nan 0.000 0.576 34 G N 1.123 110.098 108.800 0.292 0.000 2.519 34 G HA2 0.544 4.561 3.960 0.095 0.000 0.307 34 G HA3 0.544 4.561 3.960 0.095 0.000 0.307 34 G C -1.924 173.155 174.900 0.299 0.000 1.266 34 G CA -0.727 44.508 45.100 0.226 0.000 0.970 34 G HN 0.409 nan 8.290 nan 0.000 0.481 35 E N 0.463 120.831 120.200 0.279 0.000 2.187 35 E HA 0.528 4.935 4.350 0.095 0.000 0.268 35 E C -1.785 175.040 176.600 0.375 0.000 0.896 35 E CA -0.836 55.748 56.400 0.307 0.000 0.766 35 E CB 1.766 31.607 29.700 0.234 0.000 1.142 35 E HN 0.245 nan 8.360 nan 0.000 0.408 36 F N 4.501 124.589 119.950 0.230 0.000 2.366 36 F HA 0.324 4.913 4.527 0.103 0.000 0.366 36 F C -0.712 175.185 175.800 0.163 0.000 1.096 36 F CA -0.687 57.487 58.000 0.289 0.000 1.060 36 F CB 1.089 40.314 39.000 0.375 0.000 1.282 36 F HN 0.321 nan 8.300 nan 0.000 0.450 37 S N 5.683 121.307 115.700 -0.126 0.000 2.665 37 S HA 0.405 4.932 4.470 0.095 0.000 0.235 37 S C -3.057 171.253 174.600 -0.483 0.000 1.084 37 S CA -1.159 56.855 58.200 -0.309 0.000 1.151 37 S CB -0.174 62.956 63.200 -0.116 0.000 1.151 37 S HN 0.414 nan 8.310 nan 0.000 0.461 38 P HA 0.186 nan 4.420 nan 0.000 0.269 38 P C -0.340 176.393 177.300 -0.945 0.000 1.209 38 P CA -0.196 61.997 63.100 -1.512 0.000 0.776 38 P CB 0.307 31.162 31.700 -1.409 0.000 0.876 39 F N 1.056 120.571 119.950 -0.724 0.000 2.553 39 F HA 0.113 4.667 4.527 0.046 0.000 0.356 39 F C 2.164 177.562 175.800 -0.670 0.000 1.142 39 F CA 0.367 58.006 58.000 -0.600 0.000 1.322 39 F CB -0.540 38.071 39.000 -0.649 0.000 1.126 39 F HN 0.425 nan 8.300 nan 0.000 0.599 40 A N 2.019 124.690 122.820 -0.249 0.000 1.954 40 A HA -0.276 4.101 4.320 0.095 0.000 0.222 40 A C 2.124 179.540 177.584 -0.280 0.000 1.199 40 A CA 2.183 54.063 52.037 -0.261 0.000 0.657 40 A CB -0.887 18.021 19.000 -0.153 0.000 0.823 40 A HN 0.828 nan 8.150 nan 0.000 0.463 41 E N -1.042 118.970 120.200 -0.314 0.000 2.347 41 E HA -0.128 4.279 4.350 0.095 0.000 0.196 41 E C -0.459 176.110 176.600 -0.051 0.000 1.008 41 E CA 0.129 56.417 56.400 -0.185 0.000 0.852 41 E CB -0.502 29.118 29.700 -0.132 0.000 0.783 41 E HN 0.601 nan 8.360 nan 0.000 0.505 42 Y N 1.976 122.216 120.300 -0.101 0.000 2.442 42 Y HA 0.412 5.009 4.550 0.079 0.000 0.330 42 Y C 1.465 177.311 175.900 -0.089 0.000 1.129 42 Y CA -0.461 57.579 58.100 -0.100 0.000 1.365 42 Y CB 0.271 38.613 38.460 -0.196 0.000 1.233 42 Y HN -0.081 nan 8.280 nan 0.000 0.529 43 G N 3.700 112.583 108.800 0.137 0.000 2.616 43 G HA2 0.235 4.252 3.960 0.095 0.000 0.268 43 G HA3 0.235 4.252 3.960 0.095 0.000 0.268 43 G C -1.744 173.211 174.900 0.092 0.000 1.213 43 G CA -1.288 43.857 45.100 0.075 0.000 0.926 43 G HN 0.404 nan 8.290 nan 0.000 0.523 44 P HA -0.077 nan 4.420 nan 0.000 0.216 44 P C 1.966 179.359 177.300 0.154 0.000 1.150 44 P CA 0.996 64.163 63.100 0.112 0.000 0.837 44 P CB 0.151 31.891 31.700 0.067 0.000 0.786 45 R N 0.112 120.688 120.500 0.127 0.000 2.081 45 R HA -0.150 4.247 4.340 0.095 0.000 0.235 45 R C 2.272 178.686 176.300 0.189 0.000 1.131 45 R CA 1.663 57.850 56.100 0.146 0.000 0.960 45 R CB -0.618 29.742 30.300 0.100 0.000 0.856 45 R HN 0.456 nan 8.270 nan 0.000 0.436 46 E N -0.195 120.102 120.200 0.161 0.000 2.216 46 E HA -0.095 4.312 4.350 0.095 0.000 0.192 46 E C 1.775 178.553 176.600 0.298 0.000 0.988 46 E CA 0.852 57.355 56.400 0.172 0.000 0.834 46 E CB -0.203 29.516 29.700 0.031 0.000 0.772 46 E HN 0.253 nan 8.360 nan 0.000 0.479 47 C N 1.427 120.886 119.300 0.266 0.000 2.456 47 C HA 0.144 4.661 4.460 0.095 0.000 0.279 47 C C 2.883 178.224 174.990 0.585 0.000 1.427 47 C CA 0.475 59.717 59.018 0.373 0.000 1.778 47 C CB -1.069 26.874 27.740 0.339 0.000 1.842 47 C HN 0.591 nan 8.230 nan 0.000 0.531 48 A N 1.232 124.339 122.820 0.478 0.000 1.903 48 A HA -0.265 4.112 4.320 0.095 0.000 0.219 48 A C 2.275 180.124 177.584 0.442 0.000 1.191 48 A CA 1.730 54.097 52.037 0.551 0.000 0.638 48 A CB -0.529 18.830 19.000 0.598 0.000 0.823 48 A HN 0.668 nan 8.150 nan 0.000 0.451 49 R N -2.193 118.536 120.500 0.382 0.000 2.115 49 R HA -0.161 4.236 4.340 0.095 0.000 0.230 49 R C 1.958 178.290 176.300 0.054 0.000 1.111 49 R CA 1.355 57.490 56.100 0.058 0.000 0.976 49 R CB -0.298 30.078 30.300 0.126 0.000 0.870 49 R HN 0.759 nan 8.270 nan 0.000 0.445 50 W N 0.272 121.664 121.300 0.154 0.000 2.363 50 W HA -0.183 4.538 4.660 0.103 0.000 0.296 50 W C 2.203 178.949 176.519 0.379 0.000 1.212 50 W CA 0.540 58.023 57.345 0.230 0.000 1.260 50 W CB -0.667 28.937 29.460 0.241 0.000 1.131 50 W HN 0.283 nan 8.180 nan 0.000 0.530 51 W N 1.097 122.684 121.300 0.477 0.000 2.381 51 W HA -0.171 4.547 4.660 0.096 0.000 0.301 51 W C 1.992 178.453 176.519 -0.098 0.000 1.205 51 W CA 1.875 59.306 57.345 0.143 0.000 1.285 51 W CB -0.702 28.713 29.460 -0.074 0.000 1.133 51 W HN -0.109 nan 8.180 nan 0.000 0.521 52 A N 1.486 123.851 122.820 -0.759 0.000 1.908 52 A HA -0.148 4.229 4.320 0.095 0.000 0.218 52 A C 2.179 179.429 177.584 -0.557 0.000 1.181 52 A CA 2.851 54.226 52.037 -1.104 0.000 0.627 52 A CB -1.329 16.670 19.000 -1.669 0.000 0.818 52 A HN 0.394 nan 8.150 nan 0.000 0.445 53 A N -1.217 121.408 122.820 -0.326 0.000 1.873 53 A HA -0.194 4.183 4.320 0.095 0.000 0.215 53 A C 2.424 179.954 177.584 -0.090 0.000 1.186 53 A CA 1.651 53.601 52.037 -0.146 0.000 0.616 53 A CB -1.432 17.503 19.000 -0.107 0.000 0.823 53 A HN 0.831 nan 8.150 nan 0.000 0.442 54 C N -1.703 117.545 119.300 -0.088 0.000 2.429 54 C HA -0.145 4.372 4.460 0.095 0.000 0.277 54 C C 2.472 177.293 174.990 -0.282 0.000 1.262 54 C CA 1.316 60.305 59.018 -0.048 0.000 1.733 54 C CB -1.453 26.377 27.740 0.150 0.000 2.010 54 C HN 0.685 nan 8.230 nan 0.000 0.483 55 Y N 1.700 121.508 120.300 -0.821 0.000 2.145 55 Y HA -0.155 4.450 4.550 0.092 0.000 0.286 55 Y C 2.483 178.149 175.900 -0.390 0.000 1.145 55 Y CA 2.478 60.100 58.100 -0.797 0.000 1.148 55 Y CB -0.771 37.021 38.460 -1.114 0.000 0.981 55 Y HN 0.510 nan 8.280 nan 0.000 0.507 56 E N 0.052 120.083 120.200 -0.281 0.000 2.058 56 E HA -0.265 4.142 4.350 0.095 0.000 0.194 56 E C 2.258 178.682 176.600 -0.294 0.000 0.997 56 E CA 1.306 57.576 56.400 -0.217 0.000 0.801 56 E CB -0.370 29.326 29.700 -0.006 0.000 0.746 56 E HN 0.561 nan 8.360 nan 0.000 0.450 57 A N 1.021 123.758 122.820 -0.139 0.000 1.902 57 A HA -0.073 4.304 4.320 0.095 0.000 0.217 57 A C 2.339 179.672 177.584 -0.418 0.000 1.181 57 A CA 1.962 53.865 52.037 -0.223 0.000 0.623 57 A CB -0.635 18.516 19.000 0.252 0.000 0.818 57 A HN 0.427 nan 8.150 nan 0.000 0.443 58 A N -1.464 121.165 122.820 -0.318 0.000 1.975 58 A HA 0.121 4.498 4.320 0.095 0.000 0.215 58 A C 1.913 179.251 177.584 -0.411 0.000 1.170 58 A CA 1.811 53.654 52.037 -0.322 0.000 0.656 58 A CB -0.135 18.739 19.000 -0.211 0.000 0.821 58 A HN 0.477 nan 8.150 nan 0.000 0.449 59 E N -1.141 118.724 120.200 -0.558 0.000 2.364 59 E HA 0.265 4.672 4.350 0.095 0.000 0.203 59 E C 1.609 177.924 176.600 -0.474 0.000 0.888 59 E CA 0.241 56.302 56.400 -0.565 0.000 0.989 59 E CB 0.152 29.323 29.700 -0.882 0.000 0.985 59 E HN 0.490 nan 8.360 nan 0.000 0.499 60 L N -1.107 119.823 121.223 -0.489 0.000 2.425 60 L HA 0.453 4.850 4.340 0.095 0.000 0.215 60 L C 1.020 177.716 176.870 -0.290 0.000 1.065 60 L CA 0.186 54.840 54.840 -0.310 0.000 0.842 60 L CB 0.144 42.076 42.059 -0.212 0.000 1.033 60 L HN 0.212 nan 8.230 nan 0.000 0.474 61 G N -0.829 107.707 108.800 -0.441 0.000 2.661 61 G HA2 -0.155 3.862 3.960 0.095 0.000 0.685 61 G HA3 -0.155 3.862 3.960 0.095 0.000 0.685 61 G C -1.448 173.230 174.900 -0.370 0.000 1.298 61 G CA -0.809 43.977 45.100 -0.524 0.000 0.855 61 G HN -0.016 nan 8.290 nan 0.000 0.560 62 W N -0.523 120.746 121.300 -0.051 0.000 2.719 62 W HA 0.588 5.318 4.660 0.117 0.000 0.352 62 W C -1.903 174.599 176.519 -0.028 0.000 1.085 62 W CA -1.946 55.375 57.345 -0.040 0.000 1.187 62 W CB 0.175 29.613 29.460 -0.036 0.000 1.417 62 W HN 0.507 nan 8.180 nan 0.000 0.557 63 P HA 0.181 nan 4.420 nan 0.000 0.268 63 P C -0.214 177.153 177.300 0.112 0.000 1.205 63 P CA 0.085 63.255 63.100 0.117 0.000 0.771 63 P CB 0.378 32.127 31.700 0.082 0.000 0.858 64 A N 5.092 127.957 122.820 0.075 0.000 2.531 64 A HA 0.281 4.658 4.320 0.095 0.000 0.236 64 A C -1.712 175.903 177.584 0.050 0.000 1.062 64 A CA -0.606 51.469 52.037 0.063 0.000 0.760 64 A CB -1.066 17.958 19.000 0.041 0.000 0.995 64 A HN 0.449 nan 8.150 nan 0.000 0.501 65 P HA 0.280 nan 4.420 nan 0.000 0.279 65 P C 0.446 177.757 177.300 0.017 0.000 1.252 65 P CA -0.138 62.977 63.100 0.025 0.000 0.811 65 P CB 1.300 33.015 31.700 0.025 0.000 1.035 66 V N -1.332 118.587 119.914 0.008 0.000 3.578 66 V HA 0.297 4.473 4.120 0.095 0.000 0.290 66 V C 0.647 176.743 176.094 0.003 0.000 1.376 66 V CA 0.087 62.391 62.300 0.006 0.000 1.083 66 V CB -1.002 30.823 31.823 0.003 0.000 0.911 66 V HN 0.643 nan 8.190 nan 0.000 0.433 67 R N -1.463 119.038 120.500 0.002 0.000 2.668 67 R HA 0.563 4.960 4.340 0.095 0.000 0.272 67 R C -1.037 175.264 176.300 0.002 0.000 1.019 67 R CA -0.588 55.513 56.100 0.001 0.000 0.894 67 R CB 1.427 31.724 30.300 -0.004 0.000 1.228 67 R HN -0.035 nan 8.270 nan 0.000 0.460 68 D N 0.796 121.199 120.400 0.003 0.000 2.350 68 D HA 0.034 4.731 4.640 0.095 0.000 0.213 68 D C 0.085 176.386 176.300 0.002 0.000 1.031 68 D CA 1.042 55.045 54.000 0.005 0.000 0.861 68 D CB 0.795 41.599 40.800 0.007 0.000 0.926 68 D HN 0.718 nan 8.370 nan 0.000 0.520 69 T N -2.089 112.465 114.554 -0.001 0.000 2.864 69 T HA 0.611 5.018 4.350 0.095 0.000 0.299 69 T C -0.633 174.064 174.700 -0.006 0.000 1.166 69 T CA -0.948 61.150 62.100 -0.004 0.000 1.007 69 T CB 2.328 71.197 68.868 0.001 0.000 1.219 69 T HN -0.129 nan 8.240 nan 0.000 0.506 70 V N -1.297 118.611 119.914 -0.009 0.000 2.686 70 V HA 0.858 5.035 4.120 0.095 0.000 0.306 70 V C -3.050 173.043 176.094 -0.001 0.000 1.065 70 V CA -2.656 59.639 62.300 -0.009 0.000 0.894 70 V CB 1.829 33.640 31.823 -0.021 0.000 1.004 70 V HN 0.932 nan 8.190 nan 0.000 0.424 71 P HA 0.475 nan 4.420 nan 0.000 0.278 71 P C -0.557 176.754 177.300 0.018 0.000 1.238 71 P CA -0.120 62.990 63.100 0.015 0.000 0.794 71 P CB 1.841 33.553 31.700 0.020 0.000 0.955 72 V N 0.072 119.995 119.914 0.015 0.000 2.962 72 V HA 0.622 4.799 4.120 0.095 0.000 0.313 72 V C -0.298 175.803 176.094 0.012 0.000 1.099 72 V CA -1.105 61.201 62.300 0.012 0.000 0.971 72 V CB 2.006 33.826 31.823 -0.004 0.000 1.028 72 V HN 0.700 nan 8.190 nan 0.000 0.430 73 N N 1.938 120.644 118.700 0.010 0.000 2.477 73 N HA 0.682 5.479 4.740 0.095 0.000 0.284 73 N C -0.183 175.317 175.510 -0.017 0.000 1.182 73 N CA -0.234 52.816 53.050 -0.001 0.000 0.949 73 N CB 2.335 40.821 38.487 -0.002 0.000 1.204 73 N HN 1.178 nan 8.380 nan 0.000 0.526 74 A N 0.372 123.177 122.820 -0.025 0.000 2.340 74 A HA 0.436 4.813 4.320 0.095 0.000 0.268 74 A C -0.146 177.412 177.584 -0.044 0.000 1.100 74 A CA -0.270 51.743 52.037 -0.039 0.000 0.803 74 A CB 0.107 19.085 19.000 -0.037 0.000 1.043 74 A HN 0.666 nan 8.150 nan 0.000 0.488 75 T N 2.029 116.542 114.554 -0.069 0.000 2.788 75 T HA 0.456 4.863 4.350 0.095 0.000 0.296 75 T C -0.546 174.104 174.700 -0.083 0.000 1.009 75 T CA -0.194 61.860 62.100 -0.076 0.000 0.949 75 T CB 0.715 69.489 68.868 -0.157 0.000 0.946 75 T HN 0.384 nan 8.240 nan 0.000 0.453 76 V N 7.599 127.501 119.914 -0.019 0.000 2.328 76 V HA 0.316 4.493 4.120 0.095 0.000 0.278 76 V C -2.069 174.069 176.094 0.073 0.000 1.021 76 V CA -1.976 60.322 62.300 -0.004 0.000 0.838 76 V CB 0.934 32.751 31.823 -0.010 0.000 0.999 76 V HN 0.644 nan 8.190 nan 0.000 0.447 77 P HA 0.216 nan 4.420 nan 0.000 0.275 77 P C -0.087 177.281 177.300 0.113 0.000 1.266 77 P CA -0.444 62.794 63.100 0.230 0.000 0.793 77 P CB 0.617 32.451 31.700 0.223 0.000 1.074 78 A N 0.684 123.561 122.820 0.094 0.000 3.051 78 A HA 0.333 4.710 4.320 0.095 0.000 0.257 78 A C 0.555 178.158 177.584 0.030 0.000 1.785 78 A CA -0.070 51.989 52.037 0.037 0.000 1.420 78 A CB -1.767 17.237 19.000 0.007 0.000 1.063 78 A HN 0.361 nan 8.150 nan 0.000 0.630 79 V N -1.705 118.225 119.914 0.027 0.000 3.438 79 V HA 0.930 5.107 4.120 0.095 0.000 0.298 79 V C 0.898 176.995 176.094 0.005 0.000 1.148 79 V CA -0.478 61.832 62.300 0.016 0.000 0.994 79 V CB 0.226 32.056 31.823 0.012 0.000 1.236 79 V HN 0.565 nan 8.190 nan 0.000 0.455 80 G N -0.109 108.692 108.800 0.002 0.000 2.636 80 G HA2 0.413 4.430 3.960 0.095 0.000 0.246 80 G HA3 0.413 4.430 3.960 0.095 0.000 0.246 80 G C -1.159 173.733 174.900 -0.013 0.000 1.216 80 G CA -0.369 44.730 45.100 -0.003 0.000 0.854 80 G HN 0.743 nan 8.290 nan 0.000 0.572 81 P HA -0.153 nan 4.420 nan 0.000 0.216 81 P C 1.243 178.526 177.300 -0.028 0.000 1.150 81 P CA 1.389 64.471 63.100 -0.031 0.000 0.837 81 P CB 0.314 31.994 31.700 -0.033 0.000 0.786 82 E N -0.032 120.157 120.200 -0.018 0.000 2.028 82 E HA -0.177 4.230 4.350 0.095 0.000 0.191 82 E C 2.049 178.639 176.600 -0.017 0.000 0.988 82 E CA 0.921 57.311 56.400 -0.016 0.000 0.799 82 E CB -0.140 29.554 29.700 -0.010 0.000 0.755 82 E HN 0.013 nan 8.360 nan 0.000 0.447 83 E N 0.267 120.459 120.200 -0.014 0.000 2.150 83 E HA -0.144 4.263 4.350 0.095 0.000 0.193 83 E C 1.828 178.415 176.600 -0.020 0.000 0.985 83 E CA 0.923 57.314 56.400 -0.014 0.000 0.814 83 E CB -0.242 29.453 29.700 -0.009 0.000 0.752 83 E HN 0.373 nan 8.360 nan 0.000 0.466 84 A N 1.334 124.141 122.820 -0.022 0.000 1.898 84 A HA -0.063 4.314 4.320 0.095 0.000 0.216 84 A C 2.403 179.967 177.584 -0.033 0.000 1.181 84 A CA 1.933 53.953 52.037 -0.028 0.000 0.620 84 A CB -0.527 18.453 19.000 -0.033 0.000 0.819 84 A HN 0.262 nan 8.150 nan 0.000 0.442 85 A N -0.259 122.541 122.820 -0.033 0.000 1.969 85 A HA -0.125 4.252 4.320 0.095 0.000 0.218 85 A C 2.214 179.783 177.584 -0.026 0.000 1.169 85 A CA 1.334 53.351 52.037 -0.033 0.000 0.635 85 A CB -0.407 18.575 19.000 -0.031 0.000 0.810 85 A HN 0.553 nan 8.150 nan 0.000 0.445 86 R N -0.642 119.844 120.500 -0.023 0.000 2.115 86 R HA 0.092 4.489 4.340 0.095 0.000 0.226 86 R C 1.835 178.120 176.300 -0.025 0.000 1.100 86 R CA 1.152 57.239 56.100 -0.021 0.000 0.980 86 R CB -0.380 29.909 30.300 -0.017 0.000 0.875 86 R HN 0.540 nan 8.270 nan 0.000 0.445 87 I N 0.374 120.925 120.570 -0.031 0.000 2.252 87 I HA -0.240 3.987 4.170 0.095 0.000 0.245 87 I C 2.221 178.317 176.117 -0.035 0.000 1.102 87 I CA 1.106 62.383 61.300 -0.038 0.000 1.385 87 I CB -0.172 37.800 38.000 -0.047 0.000 1.064 87 I HN -0.054 nan 8.210 nan 0.000 0.414 88 V N 1.059 120.954 119.914 -0.032 0.000 2.295 88 V HA -0.286 3.891 4.120 0.095 0.000 0.246 88 V C 2.713 178.794 176.094 -0.021 0.000 1.049 88 V CA 2.005 64.288 62.300 -0.029 0.000 1.024 88 V CB -0.989 30.816 31.823 -0.030 0.000 0.648 88 V HN 0.491 nan 8.190 nan 0.000 0.447 89 A N -0.598 122.210 122.820 -0.020 0.000 1.972 89 A HA -0.175 4.202 4.320 0.095 0.000 0.219 89 A C 2.305 179.882 177.584 -0.011 0.000 1.169 89 A CA 2.167 54.196 52.037 -0.014 0.000 0.635 89 A CB -0.462 18.530 19.000 -0.013 0.000 0.810 89 A HN 0.518 nan 8.150 nan 0.000 0.446 90 S N -0.310 115.381 115.700 -0.016 0.000 2.575 90 S HA 0.013 4.540 4.470 0.095 0.000 0.215 90 S C 1.958 176.548 174.600 -0.016 0.000 0.966 90 S CA 0.680 58.871 58.200 -0.015 0.000 0.911 90 S CB -0.038 63.150 63.200 -0.020 0.000 0.780 90 S HN 0.858 nan 8.310 nan 0.000 0.514 91 S N 1.285 116.975 115.700 -0.017 0.000 2.388 91 S HA 0.231 4.758 4.470 0.095 0.000 0.223 91 S C 1.793 176.392 174.600 -0.002 0.000 1.034 91 S CA 0.926 59.115 58.200 -0.018 0.000 0.963 91 S CB -0.627 62.558 63.200 -0.025 0.000 0.827 91 S HN 0.746 nan 8.310 nan 0.000 0.481 92 G N 0.252 109.057 108.800 0.010 0.000 2.143 92 G HA2 -0.234 3.783 3.960 0.095 0.000 0.249 92 G HA3 -0.234 3.783 3.960 0.095 0.000 0.249 92 G C 0.097 175.013 174.900 0.028 0.000 0.981 92 G CA 0.029 45.149 45.100 0.034 0.000 0.665 92 G HN 0.747 nan 8.290 nan 0.000 0.528 93 C N 0.281 119.586 119.300 0.009 0.000 2.391 93 C HA 0.750 5.266 4.460 0.095 0.000 0.339 93 C C 1.782 176.772 174.990 -0.001 0.000 1.205 93 C CA 0.322 59.343 59.018 0.005 0.000 1.937 93 C CB 1.406 29.144 27.740 -0.003 0.000 2.341 93 C HN 0.684 nan 8.230 nan 0.000 0.516 94 T N -2.214 112.340 114.554 0.001 0.000 3.040 94 T HA 0.106 4.513 4.350 0.095 0.000 0.250 94 T C 0.445 175.143 174.700 -0.004 0.000 1.058 94 T CA 0.306 62.405 62.100 -0.002 0.000 0.988 94 T CB -0.129 68.739 68.868 0.000 0.000 0.993 94 T HN 0.632 nan 8.240 nan 0.000 0.519 95 T N 2.235 116.786 114.554 -0.005 0.000 2.829 95 T HA 0.760 5.167 4.350 0.095 0.000 0.280 95 T C -0.859 173.824 174.700 -0.028 0.000 0.999 95 T CA -0.585 61.506 62.100 -0.015 0.000 0.983 95 T CB 1.617 70.485 68.868 0.000 0.000 0.968 95 T HN 0.454 nan 8.240 nan 0.000 0.446 96 A N 2.860 125.652 122.820 -0.047 0.000 2.422 96 A HA 0.764 5.141 4.320 0.095 0.000 0.302 96 A C -0.733 176.810 177.584 -0.067 0.000 1.041 96 A CA -0.874 51.135 52.037 -0.048 0.000 0.708 96 A CB 1.423 20.398 19.000 -0.041 0.000 1.257 96 A HN 0.716 nan 8.150 nan 0.000 0.414 97 K N 2.141 122.510 120.400 -0.051 0.000 2.265 97 K HA 0.613 4.990 4.320 0.095 0.000 0.267 97 K C -1.379 175.213 176.600 -0.013 0.000 0.994 97 K CA -0.358 55.900 56.287 -0.048 0.000 0.860 97 K CB 1.269 33.757 32.500 -0.020 0.000 1.099 97 K HN 0.448 nan 8.250 nan 0.000 0.448 98 V N 4.228 124.132 119.914 -0.018 0.000 2.398 98 V HA 0.229 4.406 4.120 0.095 0.000 0.286 98 V C -0.204 175.892 176.094 0.004 0.000 1.026 98 V CA -0.934 61.365 62.300 -0.002 0.000 0.868 98 V CB 1.189 33.000 31.823 -0.020 0.000 0.982 98 V HN 0.698 nan 8.190 nan 0.000 0.443 99 K N 4.986 125.402 120.400 0.026 0.000 2.368 99 K HA 0.484 4.861 4.320 0.095 0.000 0.282 99 K C -0.596 175.982 176.600 -0.037 0.000 1.035 99 K CA 0.020 56.300 56.287 -0.012 0.000 0.973 99 K CB 0.890 33.398 32.500 0.013 0.000 0.957 99 K HN 0.661 nan 8.250 nan 0.000 0.474 100 V N 0.101 119.958 119.914 -0.095 0.000 3.102 100 V HA 0.829 5.006 4.120 0.095 0.000 0.312 100 V C 0.007 175.988 176.094 -0.187 0.000 1.135 100 V CA -0.617 61.636 62.300 -0.079 0.000 1.022 100 V CB 0.993 32.809 31.823 -0.012 0.000 1.056 100 V HN 1.125 nan 8.190 nan 0.000 0.436 101 A N 0.010 122.783 122.820 -0.078 0.000 2.869 101 A HA -0.176 4.201 4.320 0.095 0.000 0.280 101 A C 0.277 177.793 177.584 -0.114 0.000 1.458 101 A CA 1.348 53.322 52.037 -0.104 0.000 0.776 101 A CB -2.354 16.329 19.000 -0.528 0.000 1.028 101 A HN 1.851 nan 8.150 nan 0.000 0.547 102 E N 0.958 121.117 120.200 -0.069 0.000 2.344 102 E HA 0.378 4.785 4.350 0.095 0.000 0.270 102 E C 0.615 177.191 176.600 -0.039 0.000 1.021 102 E CA -0.527 55.828 56.400 -0.074 0.000 0.887 102 E CB 0.446 30.112 29.700 -0.056 0.000 0.997 102 E HN 0.354 nan 8.360 nan 0.000 0.429 103 R N 3.404 123.874 120.500 -0.050 0.000 2.504 103 R HA 0.173 4.570 4.340 0.095 0.000 0.291 103 R C 1.051 177.344 176.300 -0.012 0.000 0.974 103 R CA 1.033 57.117 56.100 -0.027 0.000 1.077 103 R CB -0.428 29.850 30.300 -0.037 0.000 0.926 103 R HN 0.935 nan 8.270 nan 0.000 0.407 104 G N 1.891 110.694 108.800 0.004 0.000 2.213 104 G HA2 -0.261 3.756 3.960 0.095 0.000 0.236 104 G HA3 -0.261 3.756 3.960 0.095 0.000 0.236 104 G C 0.099 175.008 174.900 0.015 0.000 0.991 104 G CA -0.059 45.046 45.100 0.008 0.000 0.629 104 G HN 0.552 nan 8.290 nan 0.000 0.517 105 Q N 0.392 120.205 119.800 0.021 0.000 2.195 105 Q HA 0.652 5.049 4.340 0.095 0.000 0.250 105 Q C 0.331 176.360 176.000 0.048 0.000 0.988 105 Q CA -0.046 55.775 55.803 0.030 0.000 0.911 105 Q CB 1.692 30.445 28.738 0.026 0.000 1.258 105 Q HN 0.578 nan 8.270 nan 0.000 0.475 106 S N -0.859 114.871 115.700 0.050 0.000 2.651 106 S HA 0.210 4.737 4.470 0.095 0.000 0.291 106 S C 0.487 175.136 174.600 0.081 0.000 1.141 106 S CA -0.750 57.485 58.200 0.059 0.000 1.027 106 S CB 1.309 64.534 63.200 0.041 0.000 1.043 106 S HN 0.643 nan 8.310 nan 0.000 0.530 107 E N 0.927 121.179 120.200 0.087 0.000 2.204 107 E HA -0.122 4.285 4.350 0.095 0.000 0.195 107 E C 2.134 178.783 176.600 0.081 0.000 0.990 107 E CA 1.115 57.577 56.400 0.103 0.000 0.821 107 E CB -0.395 29.337 29.700 0.053 0.000 0.750 107 E HN 0.795 nan 8.360 nan 0.000 0.477 108 A N 1.860 124.714 122.820 0.057 0.000 1.933 108 A HA -0.198 4.179 4.320 0.095 0.000 0.218 108 A C 1.869 179.482 177.584 0.049 0.000 1.175 108 A CA 1.218 53.285 52.037 0.050 0.000 0.628 108 A CB -0.320 18.702 19.000 0.036 0.000 0.814 108 A HN 0.139 nan 8.150 nan 0.000 0.444 109 N N 0.736 119.465 118.700 0.047 0.000 2.120 109 N HA -0.139 4.658 4.740 0.095 0.000 0.188 109 N C 1.099 176.631 175.510 0.037 0.000 1.024 109 N CA 1.586 54.657 53.050 0.035 0.000 0.852 109 N CB -0.472 38.036 38.487 0.034 0.000 1.003 109 N HN 0.460 nan 8.380 nan 0.000 0.424 110 D N 0.809 121.250 120.400 0.068 0.000 2.123 110 D HA -0.089 4.608 4.640 0.095 0.000 0.196 110 D C 2.129 178.464 176.300 0.058 0.000 0.992 110 D CA 0.632 54.680 54.000 0.081 0.000 0.833 110 D CB -0.301 40.598 40.800 0.166 0.000 0.954 110 D HN 0.027 nan 8.370 nan 0.000 0.455 111 V N 1.696 121.657 119.914 0.079 0.000 2.295 111 V HA -0.245 3.932 4.120 0.095 0.000 0.246 111 V C 2.615 178.689 176.094 -0.032 0.000 1.049 111 V CA 1.864 64.219 62.300 0.091 0.000 1.024 111 V CB -0.837 31.076 31.823 0.150 0.000 0.648 111 V HN 0.182 nan 8.190 nan 0.000 0.447 112 A N -0.130 122.680 122.820 -0.016 0.000 1.902 112 A HA -0.266 4.111 4.320 0.095 0.000 0.217 112 A C 2.409 179.928 177.584 -0.108 0.000 1.181 112 A CA 2.153 54.159 52.037 -0.053 0.000 0.623 112 A CB -0.561 18.431 19.000 -0.014 0.000 0.818 112 A HN 0.500 nan 8.150 nan 0.000 0.443 113 R N -0.434 120.018 120.500 -0.081 0.000 2.062 113 R HA -0.091 4.306 4.340 0.095 0.000 0.231 113 R C 1.972 178.180 176.300 -0.153 0.000 1.136 113 R CA 1.840 57.889 56.100 -0.086 0.000 0.948 113 R CB -0.448 29.829 30.300 -0.040 0.000 0.845 113 R HN 0.287 nan 8.270 nan 0.000 0.430 114 V N 1.397 121.196 119.914 -0.192 0.000 2.343 114 V HA -0.247 3.930 4.120 0.095 0.000 0.247 114 V C 2.352 178.104 176.094 -0.570 0.000 1.051 114 V CA 2.252 64.383 62.300 -0.281 0.000 1.036 114 V CB -0.641 31.061 31.823 -0.202 0.000 0.654 114 V HN 0.509 nan 8.190 nan 0.000 0.451 115 E N 0.476 120.162 120.200 -0.857 0.000 2.058 115 E HA -0.255 4.152 4.350 0.095 0.000 0.194 115 E C 2.245 178.609 176.600 -0.393 0.000 0.997 115 E CA 1.538 57.341 56.400 -0.996 0.000 0.801 115 E CB -0.284 29.030 29.700 -0.643 0.000 0.746 115 E HN 0.548 nan 8.360 nan 0.000 0.450 116 A N 0.572 123.244 122.820 -0.247 0.000 1.883 116 A HA -0.167 4.210 4.320 0.095 0.000 0.217 116 A C 2.443 179.958 177.584 -0.116 0.000 1.186 116 A CA 1.709 53.667 52.037 -0.133 0.000 0.624 116 A CB -0.811 18.133 19.000 -0.094 0.000 0.822 116 A HN 0.248 nan 8.150 nan 0.000 0.444 117 V N 0.249 120.083 119.914 -0.135 0.000 2.343 117 V HA -0.248 3.929 4.120 0.095 0.000 0.247 117 V C 2.692 178.737 176.094 -0.082 0.000 1.051 117 V CA 2.386 64.629 62.300 -0.096 0.000 1.036 117 V CB -0.867 30.901 31.823 -0.090 0.000 0.654 117 V HN 0.692 nan 8.190 nan 0.000 0.451 118 R N 1.032 121.464 120.500 -0.113 0.000 2.081 118 R HA -0.146 4.251 4.340 0.095 0.000 0.235 118 R C 1.800 178.091 176.300 -0.016 0.000 1.131 118 R CA 1.964 58.038 56.100 -0.043 0.000 0.960 118 R CB -0.945 29.353 30.300 -0.003 0.000 0.856 118 R HN 0.519 nan 8.270 nan 0.000 0.436 119 D N 0.173 120.552 120.400 -0.034 0.000 2.144 119 D HA -0.079 4.618 4.640 0.095 0.000 0.200 119 D C 1.623 177.915 176.300 -0.013 0.000 0.978 119 D CA 1.648 55.642 54.000 -0.009 0.000 0.833 119 D CB -0.277 40.515 40.800 -0.014 0.000 0.961 119 D HN 0.405 nan 8.370 nan 0.000 0.470 120 A N 0.386 123.190 122.820 -0.027 0.000 2.015 120 A HA -0.042 4.335 4.320 0.095 0.000 0.219 120 A C 2.257 179.831 177.584 -0.016 0.000 1.163 120 A CA 0.699 52.723 52.037 -0.022 0.000 0.646 120 A CB -0.410 18.572 19.000 -0.030 0.000 0.806 120 A HN 0.193 nan 8.150 nan 0.000 0.448 121 L N -1.775 119.440 121.223 -0.015 0.000 2.416 121 L HA 0.309 4.706 4.340 0.095 0.000 0.216 121 L C 1.329 178.199 176.870 -0.001 0.000 1.098 121 L CA 0.415 55.250 54.840 -0.009 0.000 0.840 121 L CB -0.442 41.611 42.059 -0.010 0.000 0.981 121 L HN 0.596 nan 8.230 nan 0.000 0.462 122 G N 0.568 109.371 108.800 0.005 0.000 2.796 122 G HA2 -0.192 3.825 3.960 0.095 0.000 0.571 122 G HA3 -0.192 3.825 3.960 0.095 0.000 0.571 122 G C -2.112 172.800 174.900 0.020 0.000 1.370 122 G CA -0.271 44.836 45.100 0.011 0.000 0.856 122 G HN 0.035 nan 8.290 nan 0.000 0.538 123 P HA -0.051 nan 4.420 nan 0.000 0.226 123 P C 1.446 178.759 177.300 0.022 0.000 1.153 123 P CA 0.852 63.969 63.100 0.027 0.000 0.777 123 P CB 0.113 31.827 31.700 0.024 0.000 0.794 124 R N 0.045 120.554 120.500 0.014 0.000 2.161 124 R HA 0.152 4.549 4.340 0.095 0.000 0.213 124 R C 1.664 177.971 176.300 0.011 0.000 1.055 124 R CA 0.405 56.511 56.100 0.011 0.000 0.996 124 R CB -1.348 28.955 30.300 0.005 0.000 0.901 124 R HN 0.187 nan 8.270 nan 0.000 0.456 125 G N 1.134 109.940 108.800 0.009 0.000 2.690 125 G HA2 0.085 4.102 3.960 0.095 0.000 0.239 125 G HA3 0.085 4.102 3.960 0.095 0.000 0.239 125 G C -0.516 174.389 174.900 0.008 0.000 1.233 125 G CA -0.351 44.752 45.100 0.005 0.000 0.847 125 G HN 0.156 nan 8.290 nan 0.000 0.588 126 R N -0.752 119.748 120.500 -0.001 0.000 2.437 126 R HA 0.487 4.884 4.340 0.095 0.000 0.310 126 R C -1.090 175.186 176.300 -0.041 0.000 0.955 126 R CA -0.604 55.491 56.100 -0.009 0.000 0.851 126 R CB 2.326 32.627 30.300 0.001 0.000 1.161 126 R HN 0.276 nan 8.270 nan 0.000 0.446 127 V N 4.271 124.156 119.914 -0.047 0.000 2.409 127 V HA 0.484 4.661 4.120 0.095 0.000 0.291 127 V C -0.131 175.889 176.094 -0.124 0.000 1.020 127 V CA -0.801 61.460 62.300 -0.065 0.000 0.848 127 V CB 1.716 33.530 31.823 -0.015 0.000 0.990 127 V HN 0.705 nan 8.190 nan 0.000 0.430 128 R N 4.579 124.969 120.500 -0.183 0.000 2.832 128 R HA 0.836 5.233 4.340 0.095 0.000 0.271 128 R C -0.824 175.412 176.300 -0.107 0.000 0.996 128 R CA -0.779 55.163 56.100 -0.264 0.000 0.977 128 R CB 2.430 32.421 30.300 -0.514 0.000 1.168 128 R HN 0.800 nan 8.270 nan 0.000 0.482 129 I N -2.332 118.210 120.570 -0.046 0.000 2.730 129 I HA 0.562 4.789 4.170 0.095 0.000 0.298 129 I C -1.242 174.872 176.117 -0.005 0.000 1.089 129 I CA -0.882 60.414 61.300 -0.005 0.000 1.041 129 I CB 2.521 40.547 38.000 0.044 0.000 1.235 129 I HN 0.351 nan 8.210 nan 0.000 0.423 130 D N 3.895 124.270 120.400 -0.042 0.000 2.481 130 D HA 0.392 5.089 4.640 0.095 0.000 0.246 130 D C 0.269 176.458 176.300 -0.186 0.000 1.109 130 D CA -0.440 53.518 54.000 -0.069 0.000 0.845 130 D CB 2.605 43.386 40.800 -0.032 0.000 1.160 130 D HN 0.454 nan 8.370 nan 0.000 0.534 131 V N 2.900 122.652 119.914 -0.271 0.000 3.471 131 V HA 0.041 4.218 4.120 0.095 0.000 0.258 131 V C 0.650 176.524 176.094 -0.367 0.000 1.192 131 V CA 0.071 62.071 62.300 -0.501 0.000 1.116 131 V CB -1.167 30.195 31.823 -0.767 0.000 0.792 131 V HN 0.747 nan 8.190 nan 0.000 0.459 132 N N 0.637 119.202 118.700 -0.225 0.000 2.727 132 N HA -0.207 4.590 4.740 0.095 0.000 0.249 132 N C 0.992 176.408 175.510 -0.157 0.000 1.048 132 N CA 0.629 53.578 53.050 -0.169 0.000 0.714 132 N CB -1.270 37.107 38.487 -0.183 0.000 0.959 132 N HN 0.789 nan 8.380 nan 0.000 0.544 133 G N -1.299 107.409 108.800 -0.153 0.000 2.258 133 G HA2 -0.268 3.749 3.960 0.095 0.000 0.274 133 G HA3 -0.268 3.749 3.960 0.095 0.000 0.274 133 G C 1.016 175.853 174.900 -0.104 0.000 1.021 133 G CA 0.661 45.702 45.100 -0.099 0.000 0.798 133 G HN 0.949 nan 8.290 nan 0.000 0.507 134 A N -1.407 121.278 122.820 -0.225 0.000 2.167 134 A HA 0.375 4.752 4.320 0.095 0.000 0.214 134 A C 1.025 178.604 177.584 -0.009 0.000 1.151 134 A CA 0.784 52.714 52.037 -0.179 0.000 0.735 134 A CB -0.062 18.765 19.000 -0.289 0.000 0.802 134 A HN 0.541 nan 8.150 nan 0.000 0.467 135 W N 1.189 122.489 121.300 0.000 0.000 2.578 135 W HA 0.409 5.134 4.660 0.107 0.000 0.353 135 W C -0.270 176.251 176.519 0.004 0.000 1.088 135 W CA -1.642 55.705 57.345 0.003 0.000 1.235 135 W CB 0.386 29.849 29.460 0.006 0.000 1.362 135 W HN 0.335 nan 8.180 nan 0.000 0.592 136 D N -0.629 119.917 120.400 0.243 0.000 2.423 136 D HA 0.137 4.834 4.640 0.095 0.000 0.255 136 D C 0.990 177.357 176.300 0.113 0.000 1.174 136 D CA -0.490 53.587 54.000 0.128 0.000 1.008 136 D CB 0.884 41.730 40.800 0.076 0.000 1.101 136 D HN 0.062 nan 8.370 nan 0.000 0.516 137 V N 0.760 120.716 119.914 0.070 0.000 2.255 137 V HA -0.281 3.896 4.120 0.095 0.000 0.247 137 V C 1.935 178.041 176.094 0.020 0.000 1.051 137 V CA 2.293 64.624 62.300 0.052 0.000 1.018 137 V CB -0.672 31.172 31.823 0.035 0.000 0.641 137 V HN 0.555 nan 8.190 nan 0.000 0.445 138 D N -0.165 120.234 120.400 -0.002 0.000 2.104 138 D HA -0.145 4.552 4.640 0.095 0.000 0.194 138 D C 2.281 178.530 176.300 -0.085 0.000 0.994 138 D CA 1.952 55.932 54.000 -0.034 0.000 0.830 138 D CB -0.542 40.240 40.800 -0.030 0.000 0.959 138 D HN 0.406 nan 8.370 nan 0.000 0.452 139 T N 0.557 115.044 114.554 -0.111 0.000 2.821 139 T HA -0.074 4.333 4.350 0.095 0.000 0.267 139 T C 1.970 176.420 174.700 -0.418 0.000 1.046 139 T CA 1.296 63.234 62.100 -0.269 0.000 1.139 139 T CB -0.206 68.488 68.868 -0.291 0.000 0.871 139 T HN 0.199 nan 8.240 nan 0.000 0.454 140 A N 1.033 123.747 122.820 -0.177 0.000 1.877 140 A HA -0.038 4.339 4.320 0.095 0.000 0.216 140 A C 2.570 180.108 177.584 -0.076 0.000 1.186 140 A CA 1.316 53.331 52.037 -0.038 0.000 0.620 140 A CB -0.999 18.136 19.000 0.226 0.000 0.822 140 A HN 0.348 nan 8.150 nan 0.000 0.443 141 V N 0.443 120.326 119.914 -0.052 0.000 2.343 141 V HA -0.170 4.007 4.120 0.095 0.000 0.247 141 V C 1.846 177.890 176.094 -0.082 0.000 1.051 141 V CA 1.837 64.113 62.300 -0.039 0.000 1.036 141 V CB -0.940 30.868 31.823 -0.026 0.000 0.654 141 V HN 0.658 nan 8.190 nan 0.000 0.451 145 R N 1.047 121.539 120.500 -0.013 0.000 2.091 145 R HA -0.149 4.248 4.340 0.095 0.000 0.238 145 R C 2.083 178.363 176.300 -0.033 0.000 1.136 145 R CA 1.668 57.755 56.100 -0.022 0.000 0.959 145 R CB -0.234 30.044 30.300 -0.036 0.000 0.856 145 R HN 0.200 nan 8.270 nan 0.000 0.437 146 L N 0.832 122.031 121.223 -0.040 0.000 1.994 146 L HA -0.122 4.274 4.340 0.095 0.000 0.208 146 L C 1.978 178.841 176.870 -0.011 0.000 1.071 146 L CA 1.668 56.484 54.840 -0.039 0.000 0.745 146 L CB -0.361 41.676 42.059 -0.036 0.000 0.892 146 L HN 0.150 nan 8.230 nan 0.000 0.431 147 L N -0.876 120.391 121.223 0.073 0.000 2.362 147 L HA -0.140 4.257 4.340 0.095 0.000 0.219 147 L C 1.644 178.610 176.870 0.159 0.000 1.134 147 L CA 0.775 55.741 54.840 0.211 0.000 0.807 147 L CB -0.527 41.678 42.059 0.244 0.000 0.927 147 L HN 0.281 nan 8.230 nan 0.000 0.447 148 D N 0.705 121.133 120.400 0.046 0.000 2.378 148 D HA -0.140 4.557 4.640 0.095 0.000 0.227 148 D C 2.095 178.353 176.300 -0.070 0.000 1.012 148 D CA 0.337 54.352 54.000 0.024 0.000 0.905 148 D CB 0.211 41.022 40.800 0.019 0.000 0.895 148 D HN 0.311 nan 8.370 nan 0.000 0.532 149 R N -0.894 119.463 120.500 -0.238 0.000 2.316 149 R HA -0.005 4.392 4.340 0.095 0.000 0.202 149 R C 0.529 176.550 176.300 -0.465 0.000 1.029 149 R CA 0.731 56.601 56.100 -0.384 0.000 1.018 149 R CB -0.433 29.554 30.300 -0.522 0.000 0.888 149 R HN 0.089 nan 8.270 nan 0.000 0.471 150 F N 1.405 121.362 119.950 0.012 0.000 2.641 150 F HA 0.282 4.867 4.527 0.096 0.000 0.302 150 F C -0.397 175.408 175.800 0.009 0.000 1.098 150 F CA -0.800 57.206 58.000 0.010 0.000 1.318 150 F CB -0.085 38.922 39.000 0.012 0.000 1.035 150 F HN 0.117 nan 8.300 nan 0.000 0.551 151 E N 1.771 122.034 120.200 0.106 0.000 5.041 151 E HA -0.197 4.210 4.350 0.095 0.000 0.185 151 E C -1.170 175.481 176.600 0.084 0.000 1.775 151 E CA -0.091 56.354 56.400 0.076 0.000 1.128 151 E CB -0.655 29.081 29.700 0.061 0.000 1.025 151 E HN 0.336 nan 8.360 nan 0.000 0.332 152 L N 3.827 125.096 121.223 0.077 0.000 2.307 152 L HA 0.254 4.651 4.340 0.095 0.000 0.282 152 L C 1.703 178.598 176.870 0.042 0.000 1.051 152 L CA -0.277 54.597 54.840 0.057 0.000 0.804 152 L CB 1.302 43.407 42.059 0.077 0.000 1.197 152 L HN 0.594 nan 8.230 nan 0.000 0.431 153 E N 2.985 123.174 120.200 -0.020 0.000 2.046 153 E HA -0.118 4.289 4.350 0.095 0.000 0.190 153 E C -0.802 175.851 176.600 0.089 0.000 0.982 153 E CA 1.094 57.492 56.400 -0.004 0.000 0.800 153 E CB 0.375 29.993 29.700 -0.137 0.000 0.756 153 E HN 0.565 nan 8.360 nan 0.000 0.449 154 Y N -3.806 116.494 120.300 -0.000 0.000 2.732 154 Y HA 0.460 5.058 4.550 0.079 0.000 0.342 154 Y C -1.566 174.327 175.900 -0.013 0.000 1.203 154 Y CA -1.592 56.492 58.100 -0.026 0.000 1.092 154 Y CB 0.856 39.250 38.460 -0.110 0.000 1.345 154 Y HN -0.297 nan 8.280 nan 0.000 0.458 155 V N 2.060 122.152 119.914 0.296 0.000 2.357 155 V HA 0.360 4.537 4.120 0.095 0.000 0.284 155 V C -0.326 175.873 176.094 0.175 0.000 1.018 155 V CA -0.670 61.750 62.300 0.201 0.000 0.841 155 V CB 1.201 33.124 31.823 0.167 0.000 0.991 155 V HN 0.791 nan 8.190 nan 0.000 0.437 156 E N 3.703 123.997 120.200 0.158 0.000 2.194 156 E HA 0.293 4.700 4.350 0.095 0.000 0.284 156 E C 0.061 176.660 176.600 -0.002 0.000 1.035 156 E CA -0.496 55.949 56.400 0.074 0.000 0.836 156 E CB 0.518 30.281 29.700 0.106 0.000 1.070 156 E HN 0.643 nan 8.360 nan 0.000 0.401 157 Q N 3.871 123.661 119.800 -0.016 0.000 2.437 157 Q HA -0.165 4.232 4.340 0.095 0.000 0.354 157 Q C -1.979 173.996 176.000 -0.042 0.000 1.402 157 Q CA 0.666 56.451 55.803 -0.030 0.000 1.020 157 Q CB -0.291 28.420 28.738 -0.045 0.000 1.220 157 Q HN 0.528 nan 8.270 nan 0.000 0.368 158 P HA -0.111 nan 4.420 nan 0.000 0.218 158 P C 0.009 177.355 177.300 0.076 0.000 1.149 158 P CA 1.082 64.222 63.100 0.067 0.000 0.817 158 P CB 0.297 32.118 31.700 0.202 0.000 0.785 159 C N -1.628 117.708 119.300 0.059 0.000 2.913 159 C HA 0.696 5.213 4.460 0.095 0.000 0.322 159 C C 2.172 177.173 174.990 0.019 0.000 1.292 159 C CA -0.044 59.010 59.018 0.061 0.000 1.649 159 C CB 1.117 28.905 27.740 0.081 0.000 2.139 159 C HN 0.131 nan 8.230 nan 0.000 0.475 160 A N 0.381 123.214 122.820 0.022 0.000 1.929 160 A HA 0.135 4.512 4.320 0.095 0.000 0.216 160 A C 1.079 178.670 177.584 0.011 0.000 1.176 160 A CA 1.994 54.037 52.037 0.009 0.000 0.628 160 A CB -0.649 18.359 19.000 0.013 0.000 0.816 160 A HN 1.014 nan 8.150 nan 0.000 0.444 161 T N -5.041 109.524 114.554 0.018 0.000 2.950 161 T HA 0.495 4.902 4.350 0.095 0.000 0.288 161 T C 0.903 175.612 174.700 0.015 0.000 1.035 161 T CA -0.072 62.037 62.100 0.015 0.000 1.028 161 T CB 1.520 70.398 68.868 0.017 0.000 1.109 161 T HN -0.015 nan 8.240 nan 0.000 0.514 162 V N 1.261 121.182 119.914 0.011 0.000 2.343 162 V HA -0.144 4.032 4.120 0.095 0.000 0.247 162 V C 2.364 178.465 176.094 0.013 0.000 1.051 162 V CA 2.108 64.414 62.300 0.009 0.000 1.036 162 V CB -0.790 31.037 31.823 0.006 0.000 0.654 162 V HN 0.884 nan 8.190 nan 0.000 0.451 163 D N -0.080 120.328 120.400 0.014 0.000 2.149 163 D HA -0.188 4.509 4.640 0.095 0.000 0.198 163 D C 2.176 178.487 176.300 0.020 0.000 0.990 163 D CA 1.388 55.397 54.000 0.015 0.000 0.839 163 D CB -0.190 40.619 40.800 0.015 0.000 0.948 163 D HN 0.578 nan 8.370 nan 0.000 0.460 164 E N 0.112 120.327 120.200 0.024 0.000 2.106 164 E HA -0.054 4.353 4.350 0.095 0.000 0.192 164 E C 2.382 179.003 176.600 0.036 0.000 0.984 164 E CA 0.293 56.712 56.400 0.033 0.000 0.806 164 E CB -0.015 29.710 29.700 0.041 0.000 0.750 164 E HN 0.264 nan 8.360 nan 0.000 0.458 165 L N 0.602 121.843 121.223 0.030 0.000 2.046 165 L HA -0.170 4.227 4.340 0.095 0.000 0.208 165 L C 2.635 179.520 176.870 0.025 0.000 1.077 165 L CA 0.994 55.851 54.840 0.029 0.000 0.747 165 L CB -0.592 41.477 42.059 0.016 0.000 0.896 165 L HN 0.151 nan 8.230 nan 0.000 0.432 166 A N 0.049 122.880 122.820 0.019 0.000 1.908 166 A HA -0.226 4.151 4.320 0.095 0.000 0.218 166 A C 2.183 179.779 177.584 0.019 0.000 1.181 166 A CA 1.728 53.775 52.037 0.016 0.000 0.627 166 A CB -0.437 18.570 19.000 0.013 0.000 0.818 166 A HN 0.460 nan 8.150 nan 0.000 0.445 167 E N -0.455 119.758 120.200 0.022 0.000 2.051 167 E HA -0.126 4.281 4.350 0.095 0.000 0.192 167 E C 2.038 178.653 176.600 0.025 0.000 0.991 167 E CA 1.338 57.751 56.400 0.021 0.000 0.799 167 E CB -0.299 29.414 29.700 0.022 0.000 0.748 167 E HN 0.397 nan 8.360 nan 0.000 0.449 168 V N 1.245 121.180 119.914 0.034 0.000 2.343 168 V HA -0.277 3.900 4.120 0.095 0.000 0.247 168 V C 2.444 178.560 176.094 0.037 0.000 1.051 168 V CA 1.998 64.323 62.300 0.042 0.000 1.036 168 V CB -0.514 31.348 31.823 0.065 0.000 0.654 168 V HN 0.202 nan 8.190 nan 0.000 0.451 169 R N 0.103 120.623 120.500 0.033 0.000 2.105 169 R HA -0.164 4.233 4.340 0.095 0.000 0.239 169 R C 2.356 178.671 176.300 0.024 0.000 1.135 169 R CA 1.617 57.734 56.100 0.029 0.000 0.967 169 R CB -0.163 30.150 30.300 0.022 0.000 0.861 169 R HN 0.430 nan 8.270 nan 0.000 0.442 170 R N -0.700 119.812 120.500 0.021 0.000 2.307 170 R HA 0.042 4.439 4.340 0.095 0.000 0.199 170 R C 1.442 177.751 176.300 0.015 0.000 1.000 170 R CA 0.694 56.804 56.100 0.017 0.000 1.023 170 R CB 0.228 30.536 30.300 0.014 0.000 0.908 170 R HN 0.177 nan 8.270 nan 0.000 0.473 171 R N -0.145 120.365 120.500 0.017 0.000 2.476 171 R HA 0.123 4.520 4.340 0.095 0.000 0.276 171 R C -0.082 176.226 176.300 0.014 0.000 0.941 171 R CA 0.019 56.127 56.100 0.013 0.000 1.088 171 R CB 1.371 31.676 30.300 0.010 0.000 1.216 171 R HN -0.013 nan 8.270 nan 0.000 0.533 172 V N -2.337 117.591 119.914 0.022 0.000 3.040 172 V HA 0.413 4.590 4.120 0.095 0.000 0.312 172 V C 0.801 176.913 176.094 0.031 0.000 1.115 172 V CA -0.666 61.649 62.300 0.026 0.000 0.998 172 V CB 2.198 34.044 31.823 0.038 0.000 1.042 172 V HN 0.085 nan 8.190 nan 0.000 0.433 173 S N 1.043 116.761 115.700 0.031 0.000 2.478 173 S HA 0.145 4.672 4.470 0.095 0.000 0.222 173 S C 0.650 175.279 174.600 0.049 0.000 1.008 173 S CA 0.414 58.634 58.200 0.035 0.000 0.928 173 S CB -0.151 63.066 63.200 0.028 0.000 0.781 173 S HN 0.949 nan 8.310 nan 0.000 0.518 174 V N 4.359 124.307 119.914 0.058 0.000 2.585 174 V HA 0.231 4.408 4.120 0.095 0.000 0.296 174 V C -2.202 173.945 176.094 0.089 0.000 1.035 174 V CA -1.523 60.824 62.300 0.079 0.000 1.084 174 V CB -0.110 31.766 31.823 0.088 0.000 0.953 174 V HN 0.238 nan 8.190 nan 0.000 0.483 175 P HA 0.162 nan 4.420 nan 0.000 0.267 175 P C -0.643 176.707 177.300 0.084 0.000 1.200 175 P CA 0.055 63.211 63.100 0.095 0.000 0.772 175 P CB 0.371 32.150 31.700 0.132 0.000 0.855 176 I N 1.424 122.005 120.570 0.018 0.000 2.474 176 I HA 0.549 4.776 4.170 0.095 0.000 0.294 176 I C 0.192 176.235 176.117 -0.123 0.000 1.005 176 I CA -1.097 60.198 61.300 -0.008 0.000 1.113 176 I CB 1.147 39.153 38.000 0.009 0.000 1.289 176 I HN 0.304 nan 8.210 nan 0.000 0.436 177 A N 4.857 127.574 122.820 -0.172 0.000 2.337 177 A HA 0.888 5.265 4.320 0.095 0.000 0.329 177 A C -0.350 177.146 177.584 -0.147 0.000 1.146 177 A CA -0.590 51.267 52.037 -0.300 0.000 0.800 177 A CB 1.397 20.028 19.000 -0.615 0.000 1.220 177 A HN 0.808 nan 8.150 nan 0.000 0.472 178 A N 1.408 124.151 122.820 -0.129 0.000 2.288 178 A HA 0.617 4.994 4.320 0.095 0.000 0.320 178 A C 0.062 177.607 177.584 -0.065 0.000 1.217 178 A CA -0.158 51.835 52.037 -0.073 0.000 0.840 178 A CB 0.814 19.782 19.000 -0.053 0.000 1.179 178 A HN 0.868 nan 8.150 nan 0.000 0.504 179 D N 1.140 121.515 120.400 -0.042 0.000 3.137 179 D HA 0.035 4.732 4.640 0.095 0.000 0.236 179 D C 1.328 177.620 176.300 -0.014 0.000 1.557 179 D CA 0.546 54.529 54.000 -0.028 0.000 1.305 179 D CB -0.043 40.746 40.800 -0.017 0.000 1.065 179 D HN 0.430 nan 8.370 nan 0.000 0.290 180 E N 0.192 120.387 120.200 -0.009 0.000 2.130 180 E HA -0.061 4.346 4.350 0.095 0.000 0.196 180 E C 1.942 178.541 176.600 -0.001 0.000 0.998 180 E CA 1.234 57.634 56.400 0.001 0.000 0.806 180 E CB -0.160 29.538 29.700 -0.003 0.000 0.738 180 E HN 0.068 nan 8.360 nan 0.000 0.459 181 S N -0.282 115.413 115.700 -0.007 0.000 2.547 181 S HA -0.019 4.508 4.470 0.095 0.000 0.235 181 S C 1.348 175.945 174.600 -0.006 0.000 0.980 181 S CA 0.375 58.572 58.200 -0.005 0.000 0.941 181 S CB 0.070 63.266 63.200 -0.007 0.000 0.763 181 S HN 0.174 nan 8.310 nan 0.000 0.532 182 I N 1.462 122.026 120.570 -0.010 0.000 2.899 182 I HA 0.065 4.292 4.170 0.095 0.000 0.257 182 I C 2.342 178.454 176.117 -0.008 0.000 1.115 182 I CA 0.843 62.136 61.300 -0.012 0.000 1.451 182 I CB -0.831 37.155 38.000 -0.024 0.000 1.251 182 I HN 0.307 nan 8.210 nan 0.000 0.456 183 R N 1.094 121.588 120.500 -0.009 0.000 2.200 183 R HA 0.091 4.488 4.340 0.095 0.000 0.208 183 R C 0.705 177.009 176.300 0.007 0.000 1.033 183 R CA 0.532 56.626 56.100 -0.010 0.000 1.000 183 R CB -0.023 30.266 30.300 -0.018 0.000 0.906 183 R HN 0.145 nan 8.270 nan 0.000 0.462 184 R N 1.102 121.608 120.500 0.010 0.000 2.748 184 R HA 0.467 4.864 4.340 0.095 0.000 0.283 184 R C -1.283 175.023 176.300 0.011 0.000 1.507 184 R CA -0.176 55.928 56.100 0.008 0.000 1.666 184 R CB 1.883 32.185 30.300 0.004 0.000 1.237 184 R HN 0.216 nan 8.270 nan 0.000 0.633 185 A N 0.450 123.279 122.820 0.015 0.000 2.549 185 A HA 0.345 4.721 4.320 0.095 0.000 0.297 185 A C 0.587 178.184 177.584 0.021 0.000 1.061 185 A CA -0.735 51.311 52.037 0.015 0.000 0.690 185 A CB 1.391 20.398 19.000 0.011 0.000 1.287 185 A HN 0.259 nan 8.150 nan 0.000 0.402 186 E N 0.560 120.772 120.200 0.020 0.000 2.033 186 E HA -0.175 4.232 4.350 0.095 0.000 0.199 186 E C -0.322 176.291 176.600 0.022 0.000 1.011 186 E CA 1.809 58.222 56.400 0.022 0.000 0.815 186 E CB 0.063 29.774 29.700 0.018 0.000 0.755 186 E HN 0.684 nan 8.360 nan 0.000 0.451 187 D N -0.743 119.667 120.400 0.017 0.000 2.421 187 D HA 0.183 4.880 4.640 0.095 0.000 0.254 187 D C -2.114 174.193 176.300 0.012 0.000 1.238 187 D CA -1.948 52.061 54.000 0.016 0.000 0.919 187 D CB 1.697 42.504 40.800 0.013 0.000 1.152 187 D HN -0.278 nan 8.370 nan 0.000 0.552 188 P HA -0.108 nan 4.420 nan 0.000 0.219 188 P C 1.281 178.583 177.300 0.003 0.000 1.146 188 P CA 0.341 63.444 63.100 0.006 0.000 0.808 188 P CB 0.313 32.017 31.700 0.006 0.000 0.779 189 L N -0.926 120.301 121.223 0.006 0.000 2.450 189 L HA -0.103 4.294 4.340 0.095 0.000 0.224 189 L C 2.230 179.102 176.870 0.003 0.000 1.149 189 L CA 1.462 56.305 54.840 0.004 0.000 0.816 189 L CB -0.746 41.317 42.059 0.007 0.000 0.932 189 L HN -0.127 nan 8.230 nan 0.000 0.449 190 R N -0.955 119.547 120.500 0.004 0.000 2.105 190 R HA -0.102 4.295 4.340 0.095 0.000 0.239 190 R C 2.202 178.503 176.300 0.001 0.000 1.135 190 R CA 1.212 57.314 56.100 0.004 0.000 0.967 190 R CB -1.036 29.267 30.300 0.005 0.000 0.861 190 R HN 0.253 nan 8.270 nan 0.000 0.442 191 V N 1.153 121.066 119.914 -0.002 0.000 2.332 191 V HA -0.254 3.923 4.120 0.095 0.000 0.248 191 V C 2.676 178.767 176.094 -0.005 0.000 1.055 191 V CA 2.053 64.349 62.300 -0.006 0.000 1.038 191 V CB -0.583 31.232 31.823 -0.014 0.000 0.651 191 V HN 0.334 nan 8.190 nan 0.000 0.450 192 R N 0.147 120.645 120.500 -0.004 0.000 2.057 192 R HA -0.155 4.242 4.340 0.095 0.000 0.229 192 R C 2.073 178.374 176.300 0.001 0.000 1.136 192 R CA 1.998 58.097 56.100 -0.002 0.000 0.952 192 R CB -0.413 29.887 30.300 -0.000 0.000 0.848 192 R HN 0.495 nan 8.270 nan 0.000 0.430 193 D N 0.401 120.802 120.400 0.002 0.000 2.144 193 D HA -0.125 4.572 4.640 0.095 0.000 0.199 193 D C 1.396 177.699 176.300 0.004 0.000 0.984 193 D CA 1.491 55.493 54.000 0.004 0.000 0.834 193 D CB -0.059 40.744 40.800 0.005 0.000 0.955 193 D HN 0.412 nan 8.370 nan 0.000 0.465 194 A N 0.277 123.100 122.820 0.004 0.000 2.275 194 A HA 0.014 4.391 4.320 0.095 0.000 0.212 194 A C 0.450 178.037 177.584 0.005 0.000 1.201 194 A CA 0.007 52.047 52.037 0.005 0.000 0.843 194 A CB -0.306 18.698 19.000 0.005 0.000 0.873 194 A HN 0.160 nan 8.150 nan 0.000 0.492 195 E N -1.689 118.512 120.200 0.003 0.000 2.228 195 E HA -0.280 4.127 4.350 0.095 0.000 0.213 195 E C 0.844 177.446 176.600 0.003 0.000 1.282 195 E CA 0.164 56.566 56.400 0.003 0.000 0.707 195 E CB -1.497 28.206 29.700 0.005 0.000 1.150 195 E HN 0.735 nan 8.360 nan 0.000 0.362 196 A N -0.269 122.551 122.820 -0.001 0.000 2.178 196 A HA 0.485 4.862 4.320 0.095 0.000 0.211 196 A C 0.842 178.422 177.584 -0.008 0.000 1.157 196 A CA 1.027 53.064 52.037 -0.000 0.000 0.780 196 A CB 0.550 19.550 19.000 0.000 0.000 0.828 196 A HN 0.505 nan 8.150 nan 0.000 0.476 197 A N -1.234 121.576 122.820 -0.017 0.000 2.587 197 A HA 0.573 4.950 4.320 0.095 0.000 0.293 197 A C -0.463 177.100 177.584 -0.036 0.000 1.087 197 A CA -0.264 51.752 52.037 -0.035 0.000 0.692 197 A CB 0.611 19.575 19.000 -0.060 0.000 1.291 197 A HN 0.030 nan 8.150 nan 0.000 0.407 198 D N -0.478 119.890 120.400 -0.053 0.000 2.355 198 D HA 0.210 4.907 4.640 0.095 0.000 0.206 198 D C -0.043 176.221 176.300 -0.059 0.000 1.010 198 D CA 1.225 55.205 54.000 -0.032 0.000 0.875 198 D CB 0.873 41.669 40.800 -0.007 0.000 0.966 198 D HN 0.237 nan 8.370 nan 0.000 0.512 199 V N 1.236 121.055 119.914 -0.160 0.000 2.841 199 V HA 0.318 4.495 4.120 0.095 0.000 0.310 199 V C -0.245 175.725 176.094 -0.206 0.000 1.090 199 V CA -0.874 61.292 62.300 -0.223 0.000 0.930 199 V CB 3.010 34.488 31.823 -0.576 0.000 1.014 199 V HN -0.286 nan 8.190 nan 0.000 0.425 200 V N 4.132 123.965 119.914 -0.135 0.000 2.417 200 V HA 0.452 4.629 4.120 0.095 0.000 0.291 200 V C -0.179 175.856 176.094 -0.098 0.000 1.024 200 V CA -0.550 61.690 62.300 -0.100 0.000 0.861 200 V CB 2.002 33.794 31.823 -0.052 0.000 0.985 200 V HN 0.647 nan 8.190 nan 0.000 0.436 201 V N 6.931 126.788 119.914 -0.096 0.000 2.465 201 V HA 0.452 4.629 4.120 0.095 0.000 0.279 201 V C -0.089 175.979 176.094 -0.044 0.000 1.045 201 V CA -0.385 61.876 62.300 -0.066 0.000 0.938 201 V CB 1.393 33.183 31.823 -0.054 0.000 0.986 201 V HN 0.604 nan 8.190 nan 0.000 0.467 202 L N 5.454 126.655 121.223 -0.037 0.000 2.333 202 L HA 0.616 5.013 4.340 0.095 0.000 0.280 202 L C -0.233 176.602 176.870 -0.058 0.000 1.004 202 L CA -0.593 54.218 54.840 -0.048 0.000 0.820 202 L CB 1.731 43.761 42.059 -0.048 0.000 1.247 202 L HN 0.528 nan 8.230 nan 0.000 0.416 203 K N 2.236 122.586 120.400 -0.083 0.000 2.413 203 K HA 0.322 4.699 4.320 0.095 0.000 0.257 203 K C 0.569 177.060 176.600 -0.182 0.000 0.946 203 K CA -0.634 55.586 56.287 -0.112 0.000 0.823 203 K CB 2.814 35.258 32.500 -0.095 0.000 1.109 203 K HN 0.301 nan 8.250 nan 0.000 0.427 204 V N 2.611 122.415 119.914 -0.184 0.000 2.252 204 V HA -0.328 3.849 4.120 0.095 0.000 0.249 204 V C 2.221 178.145 176.094 -0.283 0.000 1.056 204 V CA 1.790 63.967 62.300 -0.205 0.000 1.022 204 V CB -0.399 31.307 31.823 -0.194 0.000 0.641 204 V HN 0.780 nan 8.190 nan 0.000 0.445 205 Q N -0.294 119.271 119.800 -0.392 0.000 2.020 205 Q HA -0.150 4.247 4.340 0.095 0.000 0.202 205 Q C 0.101 175.505 176.000 -0.994 0.000 0.982 205 Q CA 2.221 57.661 55.803 -0.605 0.000 0.838 205 Q CB -1.276 27.042 28.738 -0.699 0.000 0.899 205 Q HN 0.572 nan 8.270 nan 0.000 0.423 206 P HA -0.148 nan 4.420 nan 0.000 0.222 206 P C 0.914 177.985 177.300 -0.381 0.000 1.147 206 P CA 1.232 63.763 63.100 -0.948 0.000 0.790 206 P CB -0.018 31.380 31.700 -0.504 0.000 0.780 207 L N -1.815 119.230 121.223 -0.297 0.000 2.592 207 L HA 0.266 4.663 4.340 0.095 0.000 0.227 207 L C 1.508 178.316 176.870 -0.102 0.000 1.127 207 L CA 0.720 55.475 54.840 -0.140 0.000 0.884 207 L CB -0.763 41.230 42.059 -0.109 0.000 1.065 207 L HN 0.103 nan 8.230 nan 0.000 0.457 208 G N -0.122 108.573 108.800 -0.174 0.000 2.131 208 G HA2 -0.032 3.985 3.960 0.095 0.000 0.223 208 G HA3 -0.032 3.985 3.960 0.095 0.000 0.223 208 G C 0.489 175.297 174.900 -0.153 0.000 0.990 208 G CA -0.066 44.925 45.100 -0.181 0.000 0.671 208 G HN 0.818 nan 8.290 nan 0.000 0.521 209 G N -2.825 105.899 108.800 -0.127 0.000 2.423 209 G HA2 0.241 4.257 3.960 0.095 0.000 0.684 209 G HA3 0.241 4.257 3.960 0.095 0.000 0.684 209 G C 0.616 175.485 174.900 -0.052 0.000 1.309 209 G CA 0.094 45.155 45.100 -0.065 0.000 0.950 209 G HN 1.205 nan 8.290 nan 0.000 0.587 210 V N 0.783 120.680 119.914 -0.028 0.000 2.261 210 V HA -0.154 4.023 4.120 0.095 0.000 0.246 210 V C 3.034 179.124 176.094 -0.006 0.000 1.047 210 V CA 2.775 65.037 62.300 -0.062 0.000 1.015 210 V CB -0.704 31.058 31.823 -0.101 0.000 0.642 210 V HN 0.716 nan 8.190 nan 0.000 0.446 211 R N 0.095 120.622 120.500 0.045 0.000 2.081 211 R HA -0.128 4.269 4.340 0.095 0.000 0.235 211 R C 2.438 178.760 176.300 0.037 0.000 1.131 211 R CA 1.476 57.605 56.100 0.049 0.000 0.960 211 R CB -0.621 29.722 30.300 0.072 0.000 0.856 211 R HN 0.547 nan 8.270 nan 0.000 0.436 212 A N 1.308 124.150 122.820 0.037 0.000 1.877 212 A HA -0.109 4.268 4.320 0.095 0.000 0.216 212 A C 2.386 179.977 177.584 0.012 0.000 1.186 212 A CA 1.685 53.745 52.037 0.039 0.000 0.620 212 A CB -0.620 18.407 19.000 0.045 0.000 0.822 212 A HN 0.394 nan 8.150 nan 0.000 0.443 213 A N -0.379 122.431 122.820 -0.016 0.000 1.933 213 A HA -0.016 4.361 4.320 0.095 0.000 0.218 213 A C 2.165 179.738 177.584 -0.020 0.000 1.175 213 A CA 1.457 53.475 52.037 -0.032 0.000 0.628 213 A CB -0.576 18.386 19.000 -0.063 0.000 0.814 213 A HN 0.471 nan 8.150 nan 0.000 0.444 214 L N -1.176 120.039 121.223 -0.013 0.000 2.056 214 L HA -0.172 4.225 4.340 0.095 0.000 0.207 214 L C 2.879 179.751 176.870 0.004 0.000 1.078 214 L CA 1.321 56.157 54.840 -0.006 0.000 0.749 214 L CB -0.444 41.615 42.059 0.001 0.000 0.901 214 L HN 0.349 nan 8.230 nan 0.000 0.433 215 R N -0.425 120.083 120.500 0.013 0.000 2.081 215 R HA -0.180 4.217 4.340 0.095 0.000 0.235 215 R C 2.210 178.519 176.300 0.014 0.000 1.131 215 R CA 1.261 57.372 56.100 0.018 0.000 0.960 215 R CB -0.484 29.834 30.300 0.030 0.000 0.856 215 R HN 0.182 nan 8.270 nan 0.000 0.436 216 L N 0.737 121.967 121.223 0.011 0.000 2.093 216 L HA -0.059 4.338 4.340 0.095 0.000 0.208 216 L C 2.204 179.074 176.870 0.001 0.000 1.085 216 L CA 1.808 56.652 54.840 0.006 0.000 0.755 216 L CB -0.639 41.422 42.059 0.002 0.000 0.904 216 L HN 0.107 nan 8.230 nan 0.000 0.435 217 A N -0.875 121.943 122.820 -0.003 0.000 1.933 217 A HA -0.262 4.115 4.320 0.095 0.000 0.218 217 A C 2.326 179.910 177.584 0.001 0.000 1.175 217 A CA 1.757 53.792 52.037 -0.004 0.000 0.628 217 A CB -0.666 18.330 19.000 -0.006 0.000 0.814 217 A HN 0.619 nan 8.150 nan 0.000 0.444 218 E N -0.049 120.153 120.200 0.004 0.000 2.047 218 E HA -0.225 4.182 4.350 0.095 0.000 0.191 218 E C 1.854 178.457 176.600 0.006 0.000 0.987 218 E CA 1.384 57.787 56.400 0.006 0.000 0.799 218 E CB -0.163 29.542 29.700 0.008 0.000 0.752 218 E HN 0.739 nan 8.360 nan 0.000 0.449 219 E N -0.387 119.818 120.200 0.007 0.000 2.153 219 E HA -0.172 4.235 4.350 0.095 0.000 0.194 219 E C 2.118 178.721 176.600 0.005 0.000 0.988 219 E CA 1.128 57.532 56.400 0.007 0.000 0.811 219 E CB -0.037 29.669 29.700 0.010 0.000 0.746 219 E HN 0.359 nan 8.360 nan 0.000 0.466 220 C N -0.167 119.134 119.300 0.002 0.000 2.464 220 C HA 0.131 4.647 4.460 0.095 0.000 0.278 220 C C 1.835 176.825 174.990 0.001 0.000 1.375 220 C CA 0.513 59.531 59.018 -0.000 0.000 1.761 220 C CB -0.965 26.772 27.740 -0.005 0.000 1.944 220 C HN 0.703 nan 8.230 nan 0.000 0.509 221 G N 0.759 109.560 108.800 0.003 0.000 2.258 221 G HA2 -0.264 3.753 3.960 0.095 0.000 0.274 221 G HA3 -0.264 3.753 3.960 0.095 0.000 0.274 221 G C -0.179 174.725 174.900 0.006 0.000 1.021 221 G CA 0.384 45.486 45.100 0.004 0.000 0.798 221 G HN 0.547 nan 8.290 nan 0.000 0.507 222 L N -0.824 120.402 121.223 0.005 0.000 2.323 222 L HA 0.555 4.952 4.340 0.095 0.000 0.265 222 L C -1.996 174.886 176.870 0.019 0.000 1.012 222 L CA -2.670 52.175 54.840 0.008 0.000 0.820 222 L CB 1.904 43.960 42.059 -0.004 0.000 1.334 222 L HN -0.168 nan 8.230 nan 0.000 0.427 223 P HA 0.083 nan 4.420 nan 0.000 0.266 223 P C -1.097 176.252 177.300 0.081 0.000 1.195 223 P CA -0.141 63.009 63.100 0.083 0.000 0.768 223 P CB 0.656 32.453 31.700 0.161 0.000 0.838 224 V N 0.851 120.821 119.914 0.094 0.000 3.074 224 V HA 0.829 5.006 4.120 0.095 0.000 0.314 224 V C -0.738 175.427 176.094 0.118 0.000 1.117 224 V CA -1.009 61.327 62.300 0.060 0.000 1.014 224 V CB 2.260 34.096 31.823 0.021 0.000 1.057 224 V HN 0.376 nan 8.190 nan 0.000 0.438 225 V N 1.875 121.821 119.914 0.054 0.000 2.888 225 V HA 0.755 4.932 4.120 0.095 0.000 0.309 225 V C -0.887 175.225 176.094 0.030 0.000 1.114 225 V CA -0.316 62.034 62.300 0.084 0.000 0.940 225 V CB 2.385 34.257 31.823 0.083 0.000 1.021 225 V HN 0.975 nan 8.190 nan 0.000 0.426 226 V N 5.451 125.383 119.914 0.030 0.000 2.547 226 V HA 0.879 5.056 4.120 0.095 0.000 0.299 226 V C 0.086 176.184 176.094 0.008 0.000 1.040 226 V CA 0.109 62.407 62.300 -0.004 0.000 0.913 226 V CB 1.873 33.678 31.823 -0.030 0.000 0.992 226 V HN 1.145 nan 8.190 nan 0.000 0.449 227 S N 1.786 117.485 115.700 -0.001 0.000 2.607 227 S HA 0.760 5.287 4.470 0.095 0.000 0.273 227 S C -0.426 174.182 174.600 0.013 0.000 1.148 227 S CA -0.394 57.818 58.200 0.020 0.000 0.833 227 S CB 1.851 65.080 63.200 0.049 0.000 1.130 227 S HN 1.028 nan 8.310 nan 0.000 0.470 228 S N 0.234 115.957 115.700 0.038 0.000 2.713 228 S HA 0.784 5.311 4.470 0.095 0.000 0.277 228 S C 0.392 175.071 174.600 0.132 0.000 1.168 228 S CA -0.422 57.808 58.200 0.050 0.000 0.994 228 S CB 1.081 64.307 63.200 0.043 0.000 1.054 228 S HN 1.813 nan 8.310 nan 0.000 0.555 229 A N 0.053 122.977 122.820 0.173 0.000 2.701 229 A HA 0.592 4.969 4.320 0.095 0.000 0.297 229 A C 0.426 178.249 177.584 0.398 0.000 1.197 229 A CA -0.498 51.753 52.037 0.357 0.000 0.963 229 A CB -0.812 18.398 19.000 0.350 0.000 1.175 229 A HN 1.578 nan 8.150 nan 0.000 0.531 230 V N 0.020 120.099 119.914 0.275 0.000 5.820 230 V HA -0.248 3.929 4.120 0.095 0.000 0.300 230 V C 0.361 176.553 176.094 0.162 0.000 0.585 230 V CA 1.571 64.000 62.300 0.214 0.000 0.629 230 V CB -2.595 29.424 31.823 0.325 0.000 0.291 230 V HN 0.801 nan 8.190 nan 0.000 0.887 231 E N 0.593 120.856 120.200 0.104 0.000 2.322 231 E HA 0.620 5.027 4.350 0.095 0.000 0.257 231 E C 1.003 177.593 176.600 -0.015 0.000 1.155 231 E CA 0.179 56.621 56.400 0.070 0.000 0.936 231 E CB 0.498 30.237 29.700 0.066 0.000 1.130 231 E HN 0.714 nan 8.360 nan 0.000 0.465 232 T N -2.268 112.227 114.554 -0.098 0.000 2.729 232 T HA 0.091 4.498 4.350 0.095 0.000 0.298 232 T C 1.115 175.739 174.700 -0.125 0.000 1.013 232 T CA -0.392 61.586 62.100 -0.202 0.000 0.957 232 T CB 0.712 69.324 68.868 -0.427 0.000 1.130 232 T HN 0.207 nan 8.240 nan 0.000 0.526 233 S N -0.351 115.268 115.700 -0.136 0.000 2.440 233 S HA -0.089 4.438 4.470 0.095 0.000 0.238 233 S C 2.071 176.644 174.600 -0.044 0.000 1.010 233 S CA 0.856 59.004 58.200 -0.086 0.000 0.972 233 S CB -0.704 62.440 63.200 -0.092 0.000 0.774 233 S HN 0.536 nan 8.310 nan 0.000 0.501 234 V N 1.358 121.237 119.914 -0.060 0.000 2.307 234 V HA -0.131 4.046 4.120 0.095 0.000 0.245 234 V C 2.620 178.774 176.094 0.100 0.000 1.045 234 V CA 2.022 64.345 62.300 0.038 0.000 1.024 234 V CB -1.386 30.448 31.823 0.018 0.000 0.651 234 V HN 0.573 nan 8.190 nan 0.000 0.449 235 G N -0.535 108.299 108.800 0.056 0.000 2.403 235 G HA2 -0.147 3.870 3.960 0.095 0.000 0.216 235 G HA3 -0.147 3.870 3.960 0.095 0.000 0.216 235 G C 1.587 176.487 174.900 0.001 0.000 1.154 235 G CA 0.590 45.728 45.100 0.064 0.000 0.784 235 G HN 0.450 nan 8.290 nan 0.000 0.538 236 L N 0.718 121.929 121.223 -0.019 0.000 2.131 236 L HA -0.055 4.342 4.340 0.095 0.000 0.210 236 L C 3.355 180.170 176.870 -0.092 0.000 1.092 236 L CA 0.835 55.643 54.840 -0.053 0.000 0.759 236 L CB -0.337 41.694 42.059 -0.047 0.000 0.903 236 L HN 0.306 nan 8.230 nan 0.000 0.435 237 A N 0.111 122.899 122.820 -0.053 0.000 1.972 237 A HA -0.165 4.212 4.320 0.095 0.000 0.219 237 A C 2.526 179.848 177.584 -0.438 0.000 1.169 237 A CA 1.704 53.691 52.037 -0.083 0.000 0.635 237 A CB -0.539 18.552 19.000 0.153 0.000 0.810 237 A HN 0.408 nan 8.150 nan 0.000 0.446 238 A N -0.560 121.980 122.820 -0.467 0.000 1.929 238 A HA 0.198 4.575 4.320 0.095 0.000 0.216 238 A C 2.373 179.576 177.584 -0.636 0.000 1.176 238 A CA 1.704 53.186 52.037 -0.925 0.000 0.628 238 A CB -1.241 17.558 19.000 -0.335 0.000 0.816 238 A HN 0.674 nan 8.150 nan 0.000 0.444 239 G N -0.488 108.108 108.800 -0.340 0.000 2.418 239 G HA2 -0.103 3.913 3.960 0.095 0.000 0.217 239 G HA3 -0.103 3.913 3.960 0.095 0.000 0.217 239 G C 1.489 176.247 174.900 -0.237 0.000 1.158 239 G CA 1.218 46.175 45.100 -0.238 0.000 0.771 239 G HN 0.297 nan 8.290 nan 0.000 0.545 240 V N 1.524 121.296 119.914 -0.237 0.000 2.407 240 V HA -0.119 4.058 4.120 0.095 0.000 0.248 240 V C 3.312 179.270 176.094 -0.227 0.000 1.055 240 V CA 1.924 64.115 62.300 -0.182 0.000 1.049 240 V CB -0.748 30.995 31.823 -0.134 0.000 0.662 240 V HN 0.473 nan 8.190 nan 0.000 0.455 241 A N -0.135 122.440 122.820 -0.407 0.000 1.902 241 A HA -0.202 4.175 4.320 0.095 0.000 0.217 241 A C 2.159 179.566 177.584 -0.295 0.000 1.181 241 A CA 2.128 53.916 52.037 -0.416 0.000 0.623 241 A CB -0.529 17.902 19.000 -0.948 0.000 0.818 241 A HN 0.467 nan 8.150 nan 0.000 0.443 242 L N -0.265 120.762 121.223 -0.326 0.000 2.027 242 L HA 0.003 4.400 4.340 0.095 0.000 0.206 242 L C 2.634 179.431 176.870 -0.120 0.000 1.074 242 L CA 2.281 57.002 54.840 -0.199 0.000 0.745 242 L CB -0.861 41.083 42.059 -0.192 0.000 0.898 242 L HN 0.309 nan 8.230 nan 0.000 0.433 243 A N -0.441 122.310 122.820 -0.115 0.000 1.978 243 A HA -0.076 4.301 4.320 0.095 0.000 0.220 243 A C 2.342 179.896 177.584 -0.051 0.000 1.170 243 A CA 1.687 53.685 52.037 -0.065 0.000 0.636 243 A CB -1.088 17.879 19.000 -0.055 0.000 0.810 243 A HN 0.593 nan 8.150 nan 0.000 0.448 244 A N -1.057 121.724 122.820 -0.065 0.000 2.169 244 A HA 0.451 4.828 4.320 0.095 0.000 0.212 244 A C 2.080 179.649 177.584 -0.026 0.000 1.153 244 A CA 1.301 53.315 52.037 -0.039 0.000 0.756 244 A CB -0.422 18.556 19.000 -0.037 0.000 0.813 244 A HN 0.935 nan 8.150 nan 0.000 0.471 245 A N -0.783 122.015 122.820 -0.036 0.000 2.220 245 A HA 0.479 4.856 4.320 0.095 0.000 0.211 245 A C 0.768 178.344 177.584 -0.013 0.000 1.176 245 A CA -0.248 51.779 52.037 -0.017 0.000 0.834 245 A CB -0.182 18.808 19.000 -0.016 0.000 0.868 245 A HN 0.384 nan 8.150 nan 0.000 0.488 246 L N 1.076 122.288 121.223 -0.019 0.000 2.456 246 L HA 0.127 4.524 4.340 0.095 0.000 0.272 246 L C -0.791 176.075 176.870 -0.007 0.000 1.189 246 L CA -1.426 53.407 54.840 -0.012 0.000 0.846 246 L CB 0.680 42.732 42.059 -0.011 0.000 1.111 246 L HN 0.169 nan 8.230 nan 0.000 0.475 247 P HA -0.155 nan 4.420 nan 0.000 0.216 247 P C -0.310 176.986 177.300 -0.007 0.000 1.150 247 P CA 1.360 64.458 63.100 -0.004 0.000 0.837 247 P CB 0.165 31.864 31.700 -0.002 0.000 0.786 248 E N -0.713 119.482 120.200 -0.008 0.000 2.331 248 E HA 0.513 4.920 4.350 0.095 0.000 0.275 248 E C -1.168 175.425 176.600 -0.011 0.000 0.895 248 E CA -0.928 55.463 56.400 -0.014 0.000 0.753 248 E CB 1.699 31.387 29.700 -0.020 0.000 1.216 248 E HN -0.057 nan 8.360 nan 0.000 0.434 249 L N 3.670 124.883 121.223 -0.017 0.000 2.445 249 L HA 0.282 4.679 4.340 0.095 0.000 0.252 249 L C -1.516 175.329 176.870 -0.042 0.000 1.105 249 L CA -1.514 53.323 54.840 -0.004 0.000 0.943 249 L CB 1.080 43.142 42.059 0.006 0.000 1.277 249 L HN 0.557 nan 8.230 nan 0.000 0.465 250 P HA -0.105 nan 4.420 nan 0.000 0.223 250 P C -0.336 176.706 177.300 -0.431 0.000 1.151 250 P CA 1.084 63.992 63.100 -0.319 0.000 0.787 250 P CB 0.181 31.598 31.700 -0.472 0.000 0.788 251 Y N -0.257 120.077 120.300 0.057 0.000 2.446 251 Y HA 0.566 5.174 4.550 0.097 0.000 0.345 251 Y C 0.591 176.527 175.900 0.059 0.000 0.984 251 Y CA -1.647 56.505 58.100 0.086 0.000 1.058 251 Y CB 1.178 39.740 38.460 0.170 0.000 1.220 251 Y HN -0.114 nan 8.280 nan 0.000 0.455 252 A N 1.468 124.418 122.820 0.218 0.000 2.498 252 A HA 0.328 4.705 4.320 0.095 0.000 0.239 252 A C -0.315 177.341 177.584 0.121 0.000 1.068 252 A CA -0.270 51.838 52.037 0.118 0.000 0.766 252 A CB -0.389 18.658 19.000 0.078 0.000 1.003 252 A HN 0.866 nan 8.150 nan 0.000 0.497 253 C N 1.454 120.798 119.300 0.073 0.000 2.405 253 C HA 0.577 5.094 4.460 0.095 0.000 0.365 253 C C 1.536 176.546 174.990 0.034 0.000 1.233 253 C CA -0.034 59.017 59.018 0.056 0.000 2.230 253 C CB 0.921 28.677 27.740 0.028 0.000 2.443 253 C HN 1.001 nan 8.230 nan 0.000 0.556 254 G N 1.986 110.808 108.800 0.036 0.000 3.316 254 G HA2 0.377 4.394 3.960 0.095 0.000 0.255 254 G HA3 0.377 4.394 3.960 0.095 0.000 0.255 254 G C 0.292 175.196 174.900 0.007 0.000 0.880 254 G CA -0.027 45.088 45.100 0.026 0.000 1.956 254 G HN 0.799 nan 8.290 nan 0.000 0.634 255 L N 0.631 121.848 121.223 -0.009 0.000 2.959 255 L HA 0.290 4.687 4.340 0.095 0.000 0.259 255 L C 1.673 178.521 176.870 -0.036 0.000 1.185 255 L CA -0.223 54.602 54.840 -0.025 0.000 0.998 255 L CB 0.882 42.920 42.059 -0.035 0.000 1.337 255 L HN 0.374 nan 8.230 nan 0.000 0.555 256 A N 0.009 122.806 122.820 -0.040 0.000 3.012 256 A HA 0.253 4.630 4.320 0.095 0.000 0.295 256 A C 1.372 178.908 177.584 -0.081 0.000 1.338 256 A CA 0.114 52.118 52.037 -0.054 0.000 0.981 256 A CB -0.752 18.220 19.000 -0.046 0.000 1.091 256 A HN 0.321 nan 8.150 nan 0.000 0.602 257 T N -3.513 110.991 114.554 -0.083 0.000 3.069 257 T HA 0.066 4.473 4.350 0.095 0.000 0.252 257 T C 1.384 176.017 174.700 -0.112 0.000 1.053 257 T CA 0.243 62.270 62.100 -0.122 0.000 0.964 257 T CB -0.245 68.565 68.868 -0.097 0.000 1.005 257 T HN 0.178 nan 8.240 nan 0.000 0.532 258 L N 1.518 122.689 121.223 -0.088 0.000 2.201 258 L HA 0.191 4.588 4.340 0.095 0.000 0.212 258 L C 2.506 179.316 176.870 -0.099 0.000 1.105 258 L CA 1.333 56.122 54.840 -0.085 0.000 0.775 258 L CB -0.475 41.537 42.059 -0.077 0.000 0.913 258 L HN 0.149 nan 8.230 nan 0.000 0.440 259 R N -0.968 119.467 120.500 -0.109 0.000 2.189 259 R HA -0.074 4.323 4.340 0.095 0.000 0.223 259 R C 1.993 178.200 176.300 -0.155 0.000 1.092 259 R CA 1.006 57.036 56.100 -0.117 0.000 0.989 259 R CB -0.377 29.858 30.300 -0.108 0.000 0.876 259 R HN 0.399 nan 8.270 nan 0.000 0.457 260 L N 0.811 121.926 121.223 -0.179 0.000 2.465 260 L HA 0.011 4.408 4.340 0.095 0.000 0.224 260 L C 0.682 177.442 176.870 -0.183 0.000 1.145 260 L CA 0.445 55.157 54.840 -0.214 0.000 0.834 260 L CB -0.051 41.832 42.059 -0.293 0.000 0.944 260 L HN 0.067 nan 8.230 nan 0.000 0.451 261 L N -1.394 119.743 121.223 -0.143 0.000 2.322 261 L HA 0.220 4.617 4.340 0.095 0.000 0.279 261 L C 1.296 178.096 176.870 -0.118 0.000 1.036 261 L CA -0.756 54.023 54.840 -0.102 0.000 0.807 261 L CB 1.230 43.259 42.059 -0.050 0.000 1.226 261 L HN 0.016 nan 8.230 nan 0.000 0.433 262 H N 1.541 120.600 119.070 -0.019 0.000 2.495 262 H HA 0.205 4.821 4.556 0.099 0.000 0.287 262 H C 0.329 175.637 175.328 -0.033 0.000 1.033 262 H CA 0.831 56.867 56.048 -0.021 0.000 1.307 262 H CB 0.632 30.390 29.762 -0.008 0.000 1.401 262 H HN 0.682 nan 8.280 nan 0.000 0.555 263 A N -0.103 122.755 122.820 0.063 0.000 2.602 263 A HA 0.451 4.828 4.320 0.095 0.000 0.290 263 A C -1.386 176.160 177.584 -0.065 0.000 1.114 263 A CA -0.661 51.375 52.037 -0.002 0.000 0.683 263 A CB 2.310 21.311 19.000 0.001 0.000 1.281 263 A HN 0.156 nan 8.150 nan 0.000 0.416 264 D N -1.456 118.886 120.400 -0.097 0.000 2.533 264 D HA 0.528 5.225 4.640 0.095 0.000 0.247 264 D C 0.400 176.587 176.300 -0.188 0.000 1.056 264 D CA 0.524 54.430 54.000 -0.156 0.000 1.054 264 D CB 2.142 42.862 40.800 -0.133 0.000 1.400 264 D HN 0.913 nan 8.370 nan 0.000 0.533 265 V N -1.470 118.292 119.914 -0.253 0.000 3.376 265 V HA 0.433 4.610 4.120 0.095 0.000 0.313 265 V C -0.180 175.764 176.094 -0.249 0.000 1.393 265 V CA -0.338 61.797 62.300 -0.274 0.000 1.125 265 V CB -0.859 30.730 31.823 -0.391 0.000 1.037 265 V HN 0.412 nan 8.190 nan 0.000 0.440 266 C N 0.365 119.550 119.300 -0.191 0.000 2.707 266 C HA 0.544 5.061 4.460 0.095 0.000 0.313 266 C C 1.171 176.097 174.990 -0.107 0.000 1.209 266 C CA -0.391 58.534 59.018 -0.156 0.000 1.635 266 C CB 2.029 29.684 27.740 -0.141 0.000 2.206 266 C HN 0.453 nan 8.230 nan 0.000 0.485 267 D N 0.214 120.563 120.400 -0.085 0.000 2.277 267 D HA -0.037 4.660 4.640 0.095 0.000 0.208 267 D C 0.172 176.440 176.300 -0.052 0.000 0.962 267 D CA 1.485 55.449 54.000 -0.061 0.000 0.865 267 D CB 0.173 40.945 40.800 -0.046 0.000 0.939 267 D HN 0.588 nan 8.370 nan 0.000 0.510 268 D N 0.928 121.296 120.400 -0.053 0.000 2.441 268 D HA 0.151 4.848 4.640 0.095 0.000 0.287 268 D C -2.434 173.835 176.300 -0.052 0.000 1.198 268 D CA -1.660 52.313 54.000 -0.045 0.000 0.894 268 D CB 1.603 42.384 40.800 -0.032 0.000 1.070 268 D HN 0.004 nan 8.370 nan 0.000 0.499 269 P HA 0.062 nan 4.420 nan 0.000 0.269 269 P C 0.293 177.559 177.300 -0.056 0.000 1.215 269 P CA -0.368 62.693 63.100 -0.066 0.000 0.780 269 P CB 1.351 33.009 31.700 -0.071 0.000 0.898 270 L N 2.762 123.951 121.223 -0.056 0.000 2.384 270 L HA 0.185 4.582 4.340 0.095 0.000 0.258 270 L C 0.333 177.171 176.870 -0.053 0.000 1.266 270 L CA -0.088 54.723 54.840 -0.048 0.000 1.162 270 L CB -0.769 41.263 42.059 -0.044 0.000 1.375 270 L HN 0.215 nan 8.230 nan 0.000 0.420 271 L N 4.585 125.776 121.223 -0.054 0.000 2.296 271 L HA 0.492 4.889 4.340 0.095 0.000 0.286 271 L C -1.775 175.063 176.870 -0.054 0.000 1.023 271 L CA -1.935 52.872 54.840 -0.056 0.000 0.812 271 L CB 1.668 43.693 42.059 -0.057 0.000 1.223 271 L HN 0.257 nan 8.230 nan 0.000 0.421 272 P HA 0.102 nan 4.420 nan 0.000 0.269 272 P C -0.985 176.280 177.300 -0.059 0.000 1.215 272 P CA -0.198 62.875 63.100 -0.045 0.000 0.780 272 P CB 1.568 33.250 31.700 -0.031 0.000 0.898 273 V N 3.588 123.456 119.914 -0.076 0.000 2.482 273 V HA 0.211 4.388 4.120 0.095 0.000 0.295 273 V C 0.317 176.356 176.094 -0.092 0.000 1.026 273 V CA -0.475 61.727 62.300 -0.165 0.000 0.856 273 V CB 0.214 31.879 31.823 -0.263 0.000 1.001 273 V HN 0.808 nan 8.190 nan 0.000 0.424 274 H N 2.744 121.805 119.070 -0.015 0.000 2.839 274 H HA -0.197 4.415 4.556 0.094 0.000 0.298 274 H C 1.395 176.715 175.328 -0.013 0.000 1.224 274 H CA 0.480 56.520 56.048 -0.013 0.000 1.144 274 H CB -0.791 28.965 29.762 -0.011 0.000 1.372 274 H HN 1.418 nan 8.280 nan 0.000 0.408 275 G N -0.554 108.297 108.800 0.085 0.000 2.249 275 G HA2 -0.228 3.789 3.960 0.095 0.000 0.273 275 G HA3 -0.228 3.789 3.960 0.095 0.000 0.273 275 G C -0.019 174.900 174.900 0.031 0.000 1.036 275 G CA 0.442 45.567 45.100 0.041 0.000 0.824 275 G HN 0.515 nan 8.290 nan 0.000 0.504 276 V N -0.065 119.863 119.914 0.024 0.000 2.888 276 V HA 0.691 4.868 4.120 0.095 0.000 0.309 276 V C 0.165 176.252 176.094 -0.011 0.000 1.114 276 V CA -0.962 61.345 62.300 0.011 0.000 0.940 276 V CB 2.277 34.115 31.823 0.026 0.000 1.021 276 V HN 0.277 nan 8.190 nan 0.000 0.426 277 L N 5.876 127.090 121.223 -0.014 0.000 2.346 277 L HA 0.604 5.001 4.340 0.095 0.000 0.276 277 L C -2.400 174.458 176.870 -0.020 0.000 1.006 277 L CA -1.748 53.078 54.840 -0.024 0.000 0.817 277 L CB 3.001 45.042 42.059 -0.030 0.000 1.272 277 L HN 0.428 nan 8.230 nan 0.000 0.421 278 P HA 0.100 nan 4.420 nan 0.000 0.278 278 P C -0.718 176.578 177.300 -0.008 0.000 1.238 278 P CA -0.342 62.751 63.100 -0.011 0.000 0.794 278 P CB 1.644 33.337 31.700 -0.012 0.000 0.955 279 V N 5.019 124.933 119.914 0.000 0.000 2.356 279 V HA 0.260 4.437 4.120 0.095 0.000 0.258 279 V C 0.939 177.055 176.094 0.035 0.000 1.065 279 V CA 0.191 62.496 62.300 0.008 0.000 0.935 279 V CB -0.946 30.881 31.823 0.008 0.000 1.061 279 V HN 0.703 nan 8.190 nan 0.000 0.484 280 R N 3.716 124.247 120.500 0.052 0.000 2.663 280 R HA 0.625 5.022 4.340 0.095 0.000 0.267 280 R C -0.996 175.379 176.300 0.124 0.000 1.038 280 R CA -1.123 55.023 56.100 0.077 0.000 0.886 280 R CB 1.801 32.127 30.300 0.044 0.000 1.249 280 R HN 0.370 nan 8.270 nan 0.000 0.463 281 R N 0.821 121.407 120.500 0.143 0.000 2.582 281 R HA 0.333 4.730 4.340 0.095 0.000 0.271 281 R C 0.167 176.537 176.300 0.117 0.000 1.078 281 R CA -0.541 55.666 56.100 0.178 0.000 1.127 281 R CB 1.365 31.737 30.300 0.120 0.000 1.038 281 R HN 0.536 nan 8.270 nan 0.000 0.500 282 V N -1.025 118.964 119.914 0.125 0.000 2.547 282 V HA 0.379 4.556 4.120 0.095 0.000 0.299 282 V C -0.547 175.587 176.094 0.067 0.000 1.040 282 V CA -0.962 61.375 62.300 0.061 0.000 0.913 282 V CB 1.993 33.827 31.823 0.018 0.000 0.992 282 V HN 0.575 nan 8.190 nan 0.000 0.449 283 D N 3.344 123.758 120.400 0.023 0.000 2.329 283 D HA 0.396 5.093 4.640 0.095 0.000 0.232 283 D C -0.080 176.155 176.300 -0.107 0.000 1.088 283 D CA -0.110 53.912 54.000 0.036 0.000 0.835 283 D CB 2.071 42.901 40.800 0.049 0.000 1.078 283 D HN 0.505 nan 8.370 nan 0.000 0.495 284 V N 1.921 121.652 119.914 -0.305 0.000 2.655 284 V HA -0.003 4.174 4.120 0.095 0.000 0.300 284 V C 0.923 176.861 176.094 -0.259 0.000 1.044 284 V CA 0.159 62.146 62.300 -0.523 0.000 1.095 284 V CB 1.382 32.428 31.823 -1.294 0.000 0.952 284 V HN 0.497 nan 8.190 nan 0.000 0.485 285 S N 2.648 118.215 115.700 -0.221 0.000 2.404 285 S HA 0.201 4.728 4.470 0.095 0.000 0.309 285 S C 0.981 175.513 174.600 -0.113 0.000 1.076 285 S CA -0.584 57.542 58.200 -0.123 0.000 1.095 285 S CB 0.828 63.967 63.200 -0.102 0.000 0.972 285 S HN 0.843 nan 8.310 nan 0.000 0.484 286 E N 4.437 124.602 120.200 -0.058 0.000 2.108 286 E HA -0.306 4.101 4.350 0.095 0.000 0.203 286 E C 1.924 178.503 176.600 -0.034 0.000 1.022 286 E CA 2.660 59.044 56.400 -0.027 0.000 0.823 286 E CB -0.223 29.486 29.700 0.015 0.000 0.744 286 E HN 0.937 nan 8.360 nan 0.000 0.456 287 Q N -0.923 118.857 119.800 -0.033 0.000 2.123 287 Q HA -0.073 4.324 4.340 0.095 0.000 0.199 287 Q C 2.076 178.049 176.000 -0.044 0.000 0.966 287 Q CA 0.828 56.613 55.803 -0.030 0.000 0.845 287 Q CB -0.220 28.504 28.738 -0.024 0.000 0.907 287 Q HN 0.097 nan 8.270 nan 0.000 0.439 288 R N 0.640 121.099 120.500 -0.068 0.000 2.090 288 R HA -0.023 4.374 4.340 0.095 0.000 0.228 288 R C 2.303 178.548 176.300 -0.092 0.000 1.110 288 R CA 0.742 56.793 56.100 -0.082 0.000 0.973 288 R CB -0.747 29.489 30.300 -0.108 0.000 0.869 288 R HN 0.294 nan 8.270 nan 0.000 0.440 289 L N 1.151 122.307 121.223 -0.112 0.000 2.005 289 L HA -0.001 4.396 4.340 0.095 0.000 0.207 289 L C 2.246 179.093 176.870 -0.038 0.000 1.072 289 L CA 2.057 56.835 54.840 -0.104 0.000 0.744 289 L CB -0.994 40.985 42.059 -0.134 0.000 0.895 289 L HN 0.151 nan 8.230 nan 0.000 0.433 290 A N -0.610 122.195 122.820 -0.025 0.000 1.997 290 A HA -0.281 4.096 4.320 0.095 0.000 0.221 290 A C 2.094 179.679 177.584 0.002 0.000 1.172 290 A CA 2.122 54.158 52.037 -0.001 0.000 0.645 290 A CB -0.750 18.250 19.000 0.000 0.000 0.813 290 A HN 0.710 nan 8.150 nan 0.000 0.454 291 E N -0.758 119.436 120.200 -0.010 0.000 2.347 291 E HA -0.031 4.376 4.350 0.095 0.000 0.196 291 E C 1.278 177.881 176.600 0.006 0.000 1.008 291 E CA 1.221 57.617 56.400 -0.006 0.000 0.852 291 E CB -0.051 29.638 29.700 -0.017 0.000 0.783 291 E HN 0.708 nan 8.360 nan 0.000 0.505 292 V N -1.718 118.204 119.914 0.013 0.000 3.330 292 V HA 0.195 4.372 4.120 0.095 0.000 0.309 292 V C 0.203 176.348 176.094 0.085 0.000 1.481 292 V CA -0.557 61.771 62.300 0.047 0.000 1.068 292 V CB 0.045 31.894 31.823 0.043 0.000 0.935 292 V HN 0.001 nan 8.190 nan 0.000 0.453 293 E N 2.174 122.412 120.200 0.063 0.000 2.316 293 E HA 0.527 4.934 4.350 0.095 0.000 0.275 293 E C -0.146 176.490 176.600 0.061 0.000 1.029 293 E CA -0.405 56.039 56.400 0.073 0.000 0.871 293 E CB 1.037 30.771 29.700 0.057 0.000 1.022 293 E HN 0.767 nan 8.360 nan 0.000 0.418 294 I N 0.096 120.701 120.570 0.058 0.000 3.133 294 I HA 0.483 4.710 4.170 0.095 0.000 0.311 294 I C -0.172 175.988 176.117 0.071 0.000 1.072 294 I CA -1.335 60.001 61.300 0.061 0.000 1.015 294 I CB 1.296 39.337 38.000 0.069 0.000 1.233 294 I HN 0.390 nan 8.210 nan 0.000 0.473 295 D N 3.062 123.507 120.400 0.075 0.000 2.487 295 D HA 0.088 4.785 4.640 0.095 0.000 0.243 295 D C -1.452 174.916 176.300 0.113 0.000 1.154 295 D CA -0.965 53.083 54.000 0.079 0.000 0.876 295 D CB 0.863 41.702 40.800 0.065 0.000 1.161 295 D HN 0.401 nan 8.370 nan 0.000 0.478 296 P HA -0.016 nan 4.420 nan 0.000 0.240 296 P C 0.937 178.327 177.300 0.149 0.000 1.190 296 P CA 0.269 63.456 63.100 0.145 0.000 0.781 296 P CB 0.264 32.033 31.700 0.115 0.000 0.931 297 A N 1.768 124.647 122.820 0.099 0.000 1.859 297 A HA -0.213 4.164 4.320 0.095 0.000 0.218 297 A C 2.543 180.163 177.584 0.059 0.000 1.209 297 A CA 2.844 54.921 52.037 0.066 0.000 0.639 297 A CB -1.651 17.373 19.000 0.040 0.000 0.835 297 A HN 0.257 nan 8.150 nan 0.000 0.450 298 A N -2.172 120.674 122.820 0.044 0.000 1.883 298 A HA -0.180 4.197 4.320 0.095 0.000 0.217 298 A C 2.020 179.573 177.584 -0.051 0.000 1.186 298 A CA 1.539 53.555 52.037 -0.035 0.000 0.624 298 A CB -0.952 17.995 19.000 -0.088 0.000 0.822 298 A HN 0.760 nan 8.150 nan 0.000 0.444 299 W N -0.524 120.778 121.300 0.004 0.000 2.388 299 W HA -0.128 4.587 4.660 0.090 0.000 0.294 299 W C 2.580 179.131 176.519 0.053 0.000 1.212 299 W CA 1.549 58.914 57.345 0.033 0.000 1.271 299 W CB -0.089 29.380 29.460 0.015 0.000 1.126 299 W HN 0.474 nan 8.180 nan 0.000 0.535 300 Q N 0.707 120.653 119.800 0.243 0.000 2.124 300 Q HA -0.132 4.265 4.340 0.095 0.000 0.202 300 Q C 2.107 178.129 176.000 0.036 0.000 0.977 300 Q CA 2.337 58.216 55.803 0.126 0.000 0.850 300 Q CB -0.735 28.054 28.738 0.085 0.000 0.901 300 Q HN 0.160 nan 8.270 nan 0.000 0.429 301 A N 0.339 123.170 122.820 0.017 0.000 1.930 301 A HA -0.159 4.218 4.320 0.095 0.000 0.217 301 A C 2.184 179.740 177.584 -0.046 0.000 1.175 301 A CA 1.506 53.524 52.037 -0.031 0.000 0.627 301 A CB -0.575 18.401 19.000 -0.040 0.000 0.815 301 A HN 0.404 nan 8.150 nan 0.000 0.443 302 R N -0.633 119.849 120.500 -0.029 0.000 2.075 302 R HA -0.029 4.368 4.340 0.095 0.000 0.232 302 R C 2.133 178.471 176.300 0.064 0.000 1.126 302 R CA 1.415 57.511 56.100 -0.007 0.000 0.963 302 R CB -0.359 29.870 30.300 -0.119 0.000 0.858 302 R HN 0.553 nan 8.270 nan 0.000 0.435 303 L N 0.272 121.518 121.223 0.038 0.000 2.046 303 L HA -0.102 4.295 4.340 0.095 0.000 0.208 303 L C 2.310 178.888 176.870 -0.487 0.000 1.077 303 L CA 1.696 56.293 54.840 -0.405 0.000 0.747 303 L CB -0.333 41.520 42.059 -0.342 0.000 0.896 303 L HN 0.266 nan 8.230 nan 0.000 0.432 304 A N -0.258 122.384 122.820 -0.296 0.000 1.933 304 A HA -0.141 4.236 4.320 0.095 0.000 0.218 304 A C 2.414 179.857 177.584 -0.234 0.000 1.175 304 A CA 1.595 53.457 52.037 -0.292 0.000 0.628 304 A CB -0.877 18.022 19.000 -0.170 0.000 0.814 304 A HN 0.586 nan 8.150 nan 0.000 0.444 305 A N -0.212 122.522 122.820 -0.144 0.000 1.898 305 A HA 0.227 4.604 4.320 0.095 0.000 0.216 305 A C 2.480 180.034 177.584 -0.050 0.000 1.181 305 A CA 1.859 53.851 52.037 -0.075 0.000 0.620 305 A CB -0.920 18.061 19.000 -0.033 0.000 0.819 305 A HN 0.994 nan 8.150 nan 0.000 0.442 306 A N -0.305 122.484 122.820 -0.051 0.000 1.930 306 A HA -0.135 4.242 4.320 0.095 0.000 0.217 306 A C 2.234 179.801 177.584 -0.028 0.000 1.175 306 A CA 1.654 53.730 52.037 0.066 0.000 0.627 306 A CB -0.480 18.649 19.000 0.215 0.000 0.815 306 A HN 0.547 nan 8.150 nan 0.000 0.443 307 R N -0.342 119.894 120.500 -0.439 0.000 2.073 307 R HA -0.120 4.277 4.340 0.095 0.000 0.234 307 R C 2.344 178.578 176.300 -0.110 0.000 1.134 307 R CA 1.532 57.260 56.100 -0.620 0.000 0.952 307 R CB -0.444 29.248 30.300 -1.013 0.000 0.850 307 R HN 0.431 nan 8.270 nan 0.000 0.433 308 A N 0.792 123.543 122.820 -0.114 0.000 1.883 308 A HA -0.167 4.210 4.320 0.095 0.000 0.217 308 A C 2.394 179.999 177.584 0.034 0.000 1.186 308 A CA 1.932 53.947 52.037 -0.036 0.000 0.624 308 A CB -0.996 17.975 19.000 -0.049 0.000 0.822 308 A HN 0.565 nan 8.150 nan 0.000 0.444 309 A N -1.479 121.385 122.820 0.072 0.000 1.940 309 A HA -0.214 4.163 4.320 0.095 0.000 0.219 309 A C 2.132 179.824 177.584 0.180 0.000 1.176 309 A CA 1.474 53.581 52.037 0.117 0.000 0.631 309 A CB -0.899 18.191 19.000 0.151 0.000 0.814 309 A HN 0.883 nan 8.150 nan 0.000 0.446 310 W N 0.747 122.098 121.300 0.086 0.000 2.381 310 W HA -0.120 4.601 4.660 0.103 0.000 0.301 310 W C 1.636 178.202 176.519 0.080 0.000 1.205 310 W CA 1.729 59.156 57.345 0.135 0.000 1.285 310 W CB -0.109 29.528 29.460 0.294 0.000 1.133 310 W HN 0.527 nan 8.180 nan 0.000 0.521 311 E N 0.055 120.297 120.200 0.069 0.000 2.285 311 E HA -0.109 4.297 4.350 0.095 0.000 0.194 311 E C 0.940 177.480 176.600 -0.100 0.000 0.997 311 E CA 0.587 56.952 56.400 -0.058 0.000 0.845 311 E CB 0.050 29.770 29.700 0.034 0.000 0.782 311 E HN 0.397 nan 8.360 nan 0.000 0.491 312 Q N 0.000 119.762 119.800 -0.063 0.000 2.315 312 Q HA 0.000 4.397 4.340 0.095 0.000 0.214 312 Q CA 0.000 55.767 55.803 -0.060 0.000 1.022 312 Q CB 0.000 28.721 28.738 -0.028 0.000 1.108 312 Q HN 0.000 nan 8.270 nan 0.000 0.481