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 2i4l_1_A DATA FIRST_RESID -2 DATA SEQUENCE GSHMRLSRFF LPILKENPKE AEIVSHRLML RAGMLRQEAA GIYAWLPLGH DATA SEQUENCE RVLKKIEQIV REEQNRAGAI ELLMPTLQLA DLWRESGRYD AYGPEMLRIA DATA SEQUENCE DRHKRELLYG PTNEEMITEI FRAYIKSYKS LPLNLYHIQW KFRDEQRPRF DATA SEQUENCE GVMRGREFLM KDAYSFDVDE AGARKSYNKM FVAYLRTFAR MGLKAIPMRA DATA SEQUENCE ETGPIGGDLS HEFIVLAETG ESGVYIDRDV LNLPVPDENV DYDGDLTPII DATA SEQUENCE KQWTSVYAAT EDVHEPARYE SEVPEANRLN TRGIEVGQIF YFGTKYSDSM DATA SEQUENCE KANVTGPDGT DAPIHGGSYG VGVSRLLGAI IEACHDDNGI IWPEAVAPFR DATA SEQUENCE VTILNLKQGD AATDAACDQL YRELSAKGVD VLYDDTDQRA GAKFATADLI DATA SEQUENCE GIPWQIHVGP RGLAEGKVEL KRRSDGAREN LALADVVAR 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 -2 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 -2 G C 0.000 174.976 174.900 0.127 0.000 0.946 -2 G CA 0.000 45.139 45.100 0.065 0.000 0.502 -1 S N 1.612 117.354 115.700 0.070 0.000 2.558 -1 S HA 0.466 4.937 4.470 0.001 0.000 0.288 -1 S C 0.210 174.919 174.600 0.181 0.000 1.318 -1 S CA -0.152 58.070 58.200 0.036 0.000 1.056 -1 S CB 0.025 63.204 63.200 -0.036 0.000 0.853 -1 S HN 0.921 nan 8.310 nan 0.000 0.505 0 H N 2.294 121.466 119.070 0.171 0.000 2.954 0 H HA 0.687 5.244 4.556 0.001 0.000 0.361 0 H C -1.253 174.251 175.328 0.292 0.000 1.122 0 H CA -1.097 55.062 56.048 0.186 0.000 1.217 0 H CB 0.994 30.666 29.762 -0.150 0.000 1.776 0 H HN 0.554 nan 8.280 nan 0.000 0.533 1 M N 2.321 122.150 119.600 0.381 0.000 2.433 1 M HA 0.400 4.881 4.480 0.001 0.000 0.290 1 M C -1.494 174.803 176.300 -0.004 0.000 1.173 1 M CA -0.270 55.105 55.300 0.126 0.000 0.905 1 M CB 2.578 35.045 32.600 -0.221 0.000 1.692 1 M HN 0.679 nan 8.290 nan 0.000 0.462 2 R N 3.685 124.160 120.500 -0.042 0.000 2.265 2 R HA 0.397 4.738 4.340 0.001 0.000 0.319 2 R C 0.958 177.168 176.300 -0.150 0.000 1.006 2 R CA -0.498 55.460 56.100 -0.237 0.000 0.880 2 R CB 0.873 31.038 30.300 -0.224 0.000 1.077 2 R HN 0.863 nan 8.270 nan 0.000 0.454 3 L N 1.970 123.073 121.223 -0.200 0.000 2.129 3 L HA -0.278 4.063 4.340 0.001 0.000 0.212 3 L C 2.079 178.969 176.870 0.034 0.000 1.087 3 L CA 2.050 56.865 54.840 -0.042 0.000 0.757 3 L CB -0.187 41.826 42.059 -0.078 0.000 0.896 3 L HN 0.765 nan 8.230 nan 0.000 0.434 4 S N -0.782 114.879 115.700 -0.064 0.000 2.423 4 S HA -0.163 4.307 4.470 0.001 0.000 0.231 4 S C 1.664 176.295 174.600 0.050 0.000 1.014 4 S CA 0.539 58.725 58.200 -0.024 0.000 0.965 4 S CB -0.271 62.877 63.200 -0.086 0.000 0.785 4 S HN 0.483 nan 8.310 nan 0.000 0.495 5 R N -0.397 120.152 120.500 0.082 0.000 2.515 5 R HA 0.423 4.764 4.340 0.001 0.000 0.294 5 R C -0.713 175.751 176.300 0.274 0.000 1.021 5 R CA -0.309 55.875 56.100 0.140 0.000 1.081 5 R CB 0.104 30.473 30.300 0.116 0.000 1.263 5 R HN 0.354 nan 8.270 nan 0.000 0.557 6 F N -0.093 119.910 119.950 0.089 0.000 2.631 6 F HA 0.455 4.983 4.527 0.001 0.000 0.350 6 F C -1.029 174.906 175.800 0.226 0.000 1.080 6 F CA -2.432 55.658 58.000 0.150 0.000 1.026 6 F CB 1.250 40.321 39.000 0.118 0.000 1.347 6 F HN -0.183 nan 8.300 nan 0.000 0.501 7 F N 4.270 123.915 119.950 -0.507 0.000 2.513 7 F HA 0.578 5.106 4.527 0.001 0.000 0.358 7 F C -1.908 173.591 175.800 -0.501 0.000 1.118 7 F CA -0.869 56.911 58.000 -0.366 0.000 1.037 7 F CB 1.007 39.851 39.000 -0.260 0.000 1.276 7 F HN 0.198 nan 8.300 nan 0.000 0.446 8 L N 9.414 130.308 121.223 -0.549 0.000 2.489 8 L HA 0.563 4.903 4.340 0.001 0.000 0.257 8 L C -2.637 174.034 176.870 -0.331 0.000 1.215 8 L CA -1.475 53.145 54.840 -0.367 0.000 0.915 8 L CB 0.965 43.027 42.059 0.005 0.000 1.146 8 L HN 0.301 nan 8.230 nan 0.000 0.494 9 P HA 0.263 nan 4.420 nan 0.000 0.274 9 P C -0.386 176.821 177.300 -0.155 0.000 1.470 9 P CA -0.305 62.607 63.100 -0.314 0.000 1.001 9 P CB 0.474 31.940 31.700 -0.391 0.000 1.332 10 I N 4.151 124.667 120.570 -0.091 0.000 2.556 10 I HA 0.109 4.280 4.170 0.001 0.000 0.284 10 I C 0.980 177.072 176.117 -0.041 0.000 1.114 10 I CA -0.477 60.798 61.300 -0.042 0.000 1.418 10 I CB 0.170 38.161 38.000 -0.014 0.000 1.394 10 I HN 0.218 nan 8.210 nan 0.000 0.552 11 L N 7.095 128.299 121.223 -0.031 0.000 2.265 11 L HA 0.249 4.590 4.340 0.001 0.000 0.288 11 L C 1.450 178.308 176.870 -0.021 0.000 1.058 11 L CA -0.657 54.166 54.840 -0.029 0.000 0.809 11 L CB 0.719 42.759 42.059 -0.031 0.000 1.179 11 L HN 0.609 nan 8.230 nan 0.000 0.429 12 K N 1.517 121.905 120.400 -0.019 0.000 2.147 12 K HA -0.092 4.229 4.320 0.001 0.000 0.205 12 K C 0.514 177.105 176.600 -0.015 0.000 1.049 12 K CA 0.811 57.089 56.287 -0.014 0.000 0.936 12 K CB -0.054 32.438 32.500 -0.013 0.000 0.722 12 K HN 0.564 nan 8.250 nan 0.000 0.446 13 E N 1.605 121.793 120.200 -0.019 0.000 2.221 13 E HA 0.184 4.535 4.350 0.001 0.000 0.268 13 E C -1.120 175.462 176.600 -0.030 0.000 0.933 13 E CA -1.010 55.377 56.400 -0.021 0.000 0.809 13 E CB 0.643 30.331 29.700 -0.020 0.000 1.190 13 E HN -0.057 nan 8.360 nan 0.000 0.406 14 N N 3.043 121.724 118.700 -0.032 0.000 2.452 14 N HA 0.183 4.924 4.740 0.001 0.000 0.266 14 N C -2.265 173.214 175.510 -0.052 0.000 1.209 14 N CA -1.063 51.960 53.050 -0.044 0.000 0.929 14 N CB 0.003 38.466 38.487 -0.040 0.000 1.063 14 N HN 0.287 nan 8.380 nan 0.000 0.472 15 P HA 0.131 nan 4.420 nan 0.000 0.271 15 P C 0.514 177.765 177.300 -0.081 0.000 1.233 15 P CA -0.159 62.892 63.100 -0.081 0.000 0.764 15 P CB 0.770 32.399 31.700 -0.119 0.000 0.825 16 K N 2.538 122.906 120.400 -0.053 0.000 2.209 16 K HA -0.156 4.165 4.320 0.001 0.000 0.204 16 K C 1.610 178.188 176.600 -0.037 0.000 1.048 16 K CA 1.082 57.346 56.287 -0.038 0.000 0.940 16 K CB 0.123 32.609 32.500 -0.024 0.000 0.729 16 K HN 0.594 nan 8.250 nan 0.000 0.451 17 E N 0.714 120.884 120.200 -0.050 0.000 2.427 17 E HA -0.045 4.306 4.350 0.001 0.000 0.196 17 E C 0.027 176.599 176.600 -0.047 0.000 1.028 17 E CA 0.270 56.653 56.400 -0.028 0.000 0.864 17 E CB 0.086 29.782 29.700 -0.006 0.000 0.813 17 E HN 0.093 nan 8.360 nan 0.000 0.514 18 A N 1.301 124.026 122.820 -0.159 0.000 2.289 18 A HA 0.262 4.583 4.320 0.001 0.000 0.298 18 A C 0.533 178.118 177.584 0.001 0.000 1.208 18 A CA -0.492 51.417 52.037 -0.212 0.000 0.845 18 A CB 0.700 19.441 19.000 -0.431 0.000 1.125 18 A HN 0.147 nan 8.150 nan 0.000 0.517 19 E N 1.375 121.664 120.200 0.148 0.000 2.364 19 E HA 0.141 4.491 4.350 0.001 0.000 0.196 19 E C 0.384 177.058 176.600 0.123 0.000 0.990 19 E CA 0.387 56.879 56.400 0.152 0.000 0.886 19 E CB 0.211 30.062 29.700 0.252 0.000 0.866 19 E HN 0.854 nan 8.360 nan 0.000 0.493 20 I N -3.718 116.931 120.570 0.132 0.000 3.002 20 I HA 0.292 4.463 4.170 0.001 0.000 0.310 20 I C 1.093 177.200 176.117 -0.018 0.000 1.087 20 I CA -0.779 60.538 61.300 0.028 0.000 1.017 20 I CB 1.579 39.559 38.000 -0.034 0.000 1.226 20 I HN -0.320 nan 8.210 nan 0.000 0.443 21 V N 2.447 122.297 119.914 -0.107 0.000 2.358 21 V HA -0.211 3.910 4.120 0.001 0.000 0.246 21 V C 2.484 178.469 176.094 -0.182 0.000 1.047 21 V CA 2.861 65.042 62.300 -0.198 0.000 1.035 21 V CB -0.266 31.310 31.823 -0.411 0.000 0.658 21 V HN 1.061 nan 8.190 nan 0.000 0.452 22 S N -1.260 114.356 115.700 -0.141 0.000 2.382 22 S HA -0.307 4.164 4.470 0.001 0.000 0.228 22 S C 2.020 176.636 174.600 0.026 0.000 1.027 22 S CA 1.841 59.994 58.200 -0.078 0.000 0.991 22 S CB -1.007 62.164 63.200 -0.048 0.000 0.823 22 S HN 0.867 nan 8.310 nan 0.000 0.469 23 H N 1.440 120.473 119.070 -0.061 0.000 2.357 23 H HA 0.037 4.594 4.556 0.001 0.000 0.301 23 H C 2.662 177.966 175.328 -0.040 0.000 1.082 23 H CA 1.184 57.206 56.048 -0.043 0.000 1.342 23 H CB -0.043 29.723 29.762 0.007 0.000 1.389 23 H HN 0.364 nan 8.280 nan 0.000 0.511 24 R N 0.431 120.898 120.500 -0.055 0.000 2.083 24 R HA -0.124 4.216 4.340 0.001 0.000 0.237 24 R C 2.511 178.765 176.300 -0.077 0.000 1.137 24 R CA 1.569 57.597 56.100 -0.119 0.000 0.951 24 R CB -0.125 30.116 30.300 -0.098 0.000 0.851 24 R HN 0.343 nan 8.270 nan 0.000 0.434 25 L N -0.125 121.060 121.223 -0.064 0.000 2.109 25 L HA -0.132 4.209 4.340 0.001 0.000 0.207 25 L C 2.601 179.475 176.870 0.008 0.000 1.086 25 L CA 1.069 55.881 54.840 -0.047 0.000 0.760 25 L CB -0.259 41.743 42.059 -0.095 0.000 0.910 25 L HN 0.325 nan 8.230 nan 0.000 0.437 26 M N -0.471 119.150 119.600 0.036 0.000 2.117 26 M HA -0.224 4.256 4.480 0.001 0.000 0.262 26 M C 2.251 178.586 176.300 0.058 0.000 1.065 26 M CA 1.796 57.148 55.300 0.086 0.000 1.114 26 M CB -0.288 32.366 32.600 0.090 0.000 1.361 26 M HN 0.234 nan 8.290 nan 0.000 0.408 27 L N -0.809 120.426 121.223 0.020 0.000 2.027 27 L HA -0.176 4.164 4.340 0.001 0.000 0.206 27 L C 2.630 179.493 176.870 -0.012 0.000 1.074 27 L CA 1.256 56.092 54.840 -0.006 0.000 0.745 27 L CB -0.673 41.351 42.059 -0.058 0.000 0.898 27 L HN 0.234 nan 8.230 nan 0.000 0.433 28 R N 0.260 120.748 120.500 -0.020 0.000 2.091 28 R HA -0.112 4.229 4.340 0.001 0.000 0.238 28 R C 1.968 178.273 176.300 0.008 0.000 1.136 28 R CA 1.405 57.496 56.100 -0.014 0.000 0.959 28 R CB -0.442 29.846 30.300 -0.021 0.000 0.856 28 R HN 0.329 nan 8.270 nan 0.000 0.437 29 A N 0.307 123.149 122.820 0.038 0.000 2.276 29 A HA 0.227 4.548 4.320 0.001 0.000 0.212 29 A C 1.090 178.724 177.584 0.083 0.000 1.230 29 A CA 0.588 52.673 52.037 0.080 0.000 0.844 29 A CB -0.227 18.851 19.000 0.131 0.000 0.860 29 A HN 0.459 nan 8.150 nan 0.000 0.486 30 G N -0.957 107.860 108.800 0.029 0.000 2.273 30 G HA2 -0.307 3.653 3.960 0.001 0.000 0.280 30 G HA3 -0.307 3.653 3.960 0.001 0.000 0.280 30 G C 0.534 175.456 174.900 0.037 0.000 1.047 30 G CA 0.786 45.873 45.100 -0.021 0.000 0.869 30 G HN 0.465 nan 8.290 nan 0.000 0.502 31 M N -1.828 117.830 119.600 0.097 0.000 2.461 31 M HA 0.480 4.960 4.480 0.001 0.000 0.255 31 M C 0.495 176.875 176.300 0.132 0.000 1.137 31 M CA 0.442 55.842 55.300 0.167 0.000 1.086 31 M CB 0.697 33.441 32.600 0.239 0.000 1.356 31 M HN 0.248 nan 8.290 nan 0.000 0.487 32 L N -0.193 121.061 121.223 0.051 0.000 2.472 32 L HA 0.552 4.893 4.340 0.001 0.000 0.260 32 L C -1.224 175.657 176.870 0.018 0.000 0.963 32 L CA -0.358 54.460 54.840 -0.036 0.000 0.829 32 L CB 2.149 44.133 42.059 -0.125 0.000 1.348 32 L HN 0.038 nan 8.230 nan 0.000 0.408 33 R N 2.902 123.422 120.500 0.034 0.000 2.533 33 R HA 0.423 4.764 4.340 0.001 0.000 0.288 33 R C -1.381 174.985 176.300 0.111 0.000 1.039 33 R CA -0.578 55.567 56.100 0.076 0.000 0.909 33 R CB 1.721 32.051 30.300 0.050 0.000 1.195 33 R HN 0.789 nan 8.270 nan 0.000 0.438 34 Q N 2.646 122.513 119.800 0.112 0.000 2.313 34 Q HA 0.037 4.377 4.340 0.001 0.000 0.266 34 Q C -0.121 175.790 176.000 -0.148 0.000 0.989 34 Q CA 0.141 55.874 55.803 -0.117 0.000 0.890 34 Q CB 1.114 29.806 28.738 -0.076 0.000 1.200 34 Q HN 0.613 nan 8.270 nan 0.000 0.396 35 E N 1.901 121.958 120.200 -0.238 0.000 2.330 35 E HA 0.255 4.606 4.350 0.001 0.000 0.200 35 E C -0.484 176.029 176.600 -0.145 0.000 0.922 35 E CA 0.616 56.927 56.400 -0.148 0.000 0.935 35 E CB 1.012 30.640 29.700 -0.120 0.000 0.917 35 E HN 0.622 nan 8.360 nan 0.000 0.491 36 A N 0.316 123.013 122.820 -0.206 0.000 2.568 36 A HA 0.725 5.045 4.320 0.001 0.000 0.291 36 A C -1.121 176.336 177.584 -0.212 0.000 1.159 36 A CA -0.196 51.752 52.037 -0.150 0.000 0.679 36 A CB 0.781 19.729 19.000 -0.086 0.000 1.285 36 A HN 0.030 nan 8.150 nan 0.000 0.428 37 A N -0.460 122.282 122.820 -0.130 0.000 2.524 37 A HA 0.481 4.802 4.320 0.001 0.000 0.250 37 A C 1.578 179.068 177.584 -0.156 0.000 1.078 37 A CA 1.122 53.081 52.037 -0.129 0.000 0.761 37 A CB -1.085 17.875 19.000 -0.066 0.000 1.012 37 A HN 2.811 nan 8.150 nan 0.000 0.500 38 G N 1.389 110.069 108.800 -0.200 0.000 2.175 38 G HA2 -0.238 3.723 3.960 0.001 0.000 0.265 38 G HA3 -0.238 3.723 3.960 0.001 0.000 0.265 38 G C 0.009 174.814 174.900 -0.158 0.000 0.979 38 G CA 0.723 45.770 45.100 -0.087 0.000 0.663 38 G HN 1.032 nan 8.290 nan 0.000 0.533 39 I N -0.371 119.901 120.570 -0.496 0.000 2.478 39 I HA 0.544 4.715 4.170 0.001 0.000 0.287 39 I C -0.676 175.081 176.117 -0.599 0.000 1.042 39 I CA -1.156 59.960 61.300 -0.307 0.000 1.067 39 I CB 1.519 39.464 38.000 -0.091 0.000 1.233 39 I HN -0.006 nan 8.210 nan 0.000 0.431 40 Y N 3.754 123.989 120.300 -0.108 0.000 2.499 40 Y HA 0.735 5.286 4.550 0.001 0.000 0.347 40 Y C 0.339 176.057 175.900 -0.304 0.000 0.987 40 Y CA -0.957 56.983 58.100 -0.267 0.000 1.044 40 Y CB 2.058 40.208 38.460 -0.516 0.000 1.245 40 Y HN 0.588 nan 8.280 nan 0.000 0.461 41 A N 1.591 124.344 122.820 -0.113 0.000 2.327 41 A HA 0.541 4.862 4.320 0.001 0.000 0.283 41 A C -1.691 175.795 177.584 -0.164 0.000 1.127 41 A CA -0.541 51.463 52.037 -0.055 0.000 0.810 41 A CB 0.173 19.181 19.000 0.013 0.000 1.066 41 A HN 0.776 nan 8.150 nan 0.000 0.492 42 W N 3.255 124.636 121.300 0.136 0.000 2.283 42 W HA 0.512 5.173 4.660 0.001 0.000 0.317 42 W C -0.155 176.458 176.519 0.157 0.000 1.042 42 W CA -0.360 57.095 57.345 0.182 0.000 1.348 42 W CB 0.483 30.098 29.460 0.258 0.000 1.216 42 W HN 0.460 nan 8.180 nan 0.000 0.404 43 L N 5.384 126.777 121.223 0.285 0.000 2.472 43 L HA 0.128 4.469 4.340 0.001 0.000 0.260 43 L C -0.949 176.077 176.870 0.260 0.000 1.209 43 L CA -1.584 53.399 54.840 0.239 0.000 0.817 43 L CB 0.227 42.372 42.059 0.144 0.000 1.106 43 L HN 0.150 nan 8.230 nan 0.000 0.479 44 P HA -0.225 nan 4.420 nan 0.000 0.216 44 P C 1.623 179.123 177.300 0.333 0.000 1.157 44 P CA 1.142 64.369 63.100 0.211 0.000 0.880 44 P CB 0.163 31.818 31.700 -0.075 0.000 0.791 45 L N -0.732 120.679 121.223 0.312 0.000 2.046 45 L HA -0.060 4.281 4.340 0.001 0.000 0.208 45 L C 2.352 179.372 176.870 0.250 0.000 1.077 45 L CA 2.308 57.374 54.840 0.376 0.000 0.747 45 L CB -1.497 40.797 42.059 0.391 0.000 0.896 45 L HN -0.037 nan 8.230 nan 0.000 0.432 46 G N -2.164 106.812 108.800 0.293 0.000 2.421 46 G HA2 -0.323 3.637 3.960 0.001 0.000 0.216 46 G HA3 -0.323 3.637 3.960 0.001 0.000 0.216 46 G C 1.668 176.776 174.900 0.346 0.000 1.171 46 G CA 0.879 46.195 45.100 0.360 0.000 0.775 46 G HN 0.578 nan 8.290 nan 0.000 0.543 47 H N 0.863 120.095 119.070 0.271 0.000 2.353 47 H HA 0.005 4.561 4.556 0.001 0.000 0.300 47 H C 2.850 178.190 175.328 0.020 0.000 1.090 47 H CA 1.283 57.422 56.048 0.151 0.000 1.327 47 H CB 0.136 30.006 29.762 0.181 0.000 1.383 47 H HN 0.264 nan 8.280 nan 0.000 0.508 48 R N -0.153 120.314 120.500 -0.056 0.000 2.091 48 R HA -0.116 4.225 4.340 0.001 0.000 0.238 48 R C 2.594 178.722 176.300 -0.287 0.000 1.136 48 R CA 1.464 57.441 56.100 -0.205 0.000 0.959 48 R CB -0.135 30.047 30.300 -0.196 0.000 0.856 48 R HN 0.148 nan 8.270 nan 0.000 0.437 49 V N 1.128 120.878 119.914 -0.274 0.000 2.307 49 V HA -0.219 3.901 4.120 0.001 0.000 0.245 49 V C 2.181 178.105 176.094 -0.284 0.000 1.045 49 V CA 1.491 63.563 62.300 -0.379 0.000 1.024 49 V CB -0.493 31.003 31.823 -0.545 0.000 0.651 49 V HN 0.233 nan 8.190 nan 0.000 0.449 50 L N 0.198 121.277 121.223 -0.241 0.000 2.013 50 L HA -0.197 4.143 4.340 0.001 0.000 0.212 50 L C 2.479 179.156 176.870 -0.321 0.000 1.073 50 L CA 2.036 56.695 54.840 -0.302 0.000 0.753 50 L CB -0.657 41.148 42.059 -0.423 0.000 0.890 50 L HN 0.150 nan 8.230 nan 0.000 0.432 51 K N -0.307 119.861 120.400 -0.386 0.000 2.097 51 K HA -0.115 4.206 4.320 0.001 0.000 0.205 51 K C 2.090 178.551 176.600 -0.230 0.000 1.050 51 K CA 1.018 57.113 56.287 -0.321 0.000 0.938 51 K CB -0.332 31.950 32.500 -0.363 0.000 0.718 51 K HN 0.339 nan 8.250 nan 0.000 0.442 52 K N 0.906 121.165 120.400 -0.235 0.000 2.026 52 K HA -0.040 4.281 4.320 0.001 0.000 0.208 52 K C 2.331 178.835 176.600 -0.160 0.000 1.048 52 K CA 0.953 57.127 56.287 -0.189 0.000 0.929 52 K CB -0.440 31.934 32.500 -0.210 0.000 0.713 52 K HN 0.166 nan 8.250 nan 0.000 0.439 53 I N 1.189 121.657 120.570 -0.169 0.000 2.163 53 I HA -0.285 3.885 4.170 0.001 0.000 0.243 53 I C 2.672 178.702 176.117 -0.146 0.000 1.085 53 I CA 1.326 62.545 61.300 -0.136 0.000 1.347 53 I CB -0.324 37.605 38.000 -0.118 0.000 1.044 53 I HN 0.305 nan 8.210 nan 0.000 0.408 54 E N 0.696 120.797 120.200 -0.166 0.000 2.070 54 E HA -0.357 3.994 4.350 0.001 0.000 0.197 54 E C 2.178 178.708 176.600 -0.117 0.000 1.004 54 E CA 1.846 58.155 56.400 -0.151 0.000 0.805 54 E CB -0.031 29.571 29.700 -0.164 0.000 0.744 54 E HN 0.349 nan 8.360 nan 0.000 0.451 55 Q N 0.662 120.394 119.800 -0.113 0.000 2.119 55 Q HA -0.101 4.240 4.340 0.001 0.000 0.201 55 Q C 2.019 177.964 176.000 -0.093 0.000 0.972 55 Q CA 1.469 57.219 55.803 -0.087 0.000 0.847 55 Q CB -0.221 28.466 28.738 -0.084 0.000 0.903 55 Q HN 0.441 nan 8.270 nan 0.000 0.433 56 I N -0.784 119.719 120.570 -0.110 0.000 2.208 56 I HA -0.275 3.895 4.170 0.001 0.000 0.245 56 I C 2.010 178.029 176.117 -0.165 0.000 1.097 56 I CA 0.890 62.117 61.300 -0.122 0.000 1.363 56 I CB -0.261 37.667 38.000 -0.120 0.000 1.051 56 I HN 0.065 nan 8.210 nan 0.000 0.413 57 V N 0.845 120.647 119.914 -0.187 0.000 2.295 57 V HA -0.301 3.820 4.120 0.001 0.000 0.246 57 V C 2.628 178.591 176.094 -0.217 0.000 1.049 57 V CA 2.183 64.336 62.300 -0.245 0.000 1.024 57 V CB -0.804 30.877 31.823 -0.236 0.000 0.648 57 V HN 0.446 nan 8.190 nan 0.000 0.447 58 R N 0.187 120.614 120.500 -0.121 0.000 2.073 58 R HA -0.210 4.131 4.340 0.001 0.000 0.234 58 R C 2.260 178.520 176.300 -0.067 0.000 1.134 58 R CA 2.087 58.168 56.100 -0.032 0.000 0.952 58 R CB -0.303 30.032 30.300 0.058 0.000 0.850 58 R HN 0.609 nan 8.270 nan 0.000 0.433 59 E N -0.080 120.073 120.200 -0.079 0.000 2.070 59 E HA -0.207 4.144 4.350 0.001 0.000 0.197 59 E C 1.973 178.505 176.600 -0.114 0.000 1.004 59 E CA 1.476 57.831 56.400 -0.076 0.000 0.805 59 E CB 0.042 29.701 29.700 -0.069 0.000 0.744 59 E HN 0.378 nan 8.360 nan 0.000 0.451 60 E N 0.367 120.469 120.200 -0.162 0.000 2.107 60 E HA -0.139 4.212 4.350 0.001 0.000 0.191 60 E C 2.105 178.542 176.600 -0.271 0.000 0.982 60 E CA 0.660 56.945 56.400 -0.191 0.000 0.809 60 E CB -0.084 29.491 29.700 -0.209 0.000 0.756 60 E HN 0.253 nan 8.360 nan 0.000 0.459 61 Q N 0.772 120.373 119.800 -0.332 0.000 2.050 61 Q HA -0.089 4.251 4.340 0.001 0.000 0.202 61 Q C 1.844 177.660 176.000 -0.305 0.000 0.980 61 Q CA 0.932 56.461 55.803 -0.457 0.000 0.840 61 Q CB -0.420 27.757 28.738 -0.935 0.000 0.898 61 Q HN 0.250 nan 8.270 nan 0.000 0.424 62 N N 0.646 119.252 118.700 -0.157 0.000 2.120 62 N HA -0.144 4.597 4.740 0.001 0.000 0.188 62 N C 1.713 177.143 175.510 -0.133 0.000 1.024 62 N CA 0.888 53.904 53.050 -0.057 0.000 0.852 62 N CB -0.363 38.129 38.487 0.007 0.000 1.003 62 N HN 0.223 nan 8.380 nan 0.000 0.424 63 R N 0.710 121.105 120.500 -0.174 0.000 2.091 63 R HA -0.028 4.313 4.340 0.001 0.000 0.238 63 R C 1.558 177.561 176.300 -0.494 0.000 1.136 63 R CA 1.515 57.500 56.100 -0.192 0.000 0.959 63 R CB -0.198 30.048 30.300 -0.090 0.000 0.856 63 R HN 0.199 nan 8.270 nan 0.000 0.437 64 A N -0.781 121.567 122.820 -0.786 0.000 2.235 64 A HA 0.182 4.502 4.320 0.001 0.000 0.208 64 A C 1.277 178.527 177.584 -0.557 0.000 1.172 64 A CA 0.882 52.175 52.037 -1.239 0.000 0.786 64 A CB -0.112 18.277 19.000 -1.019 0.000 0.804 64 A HN 0.620 nan 8.150 nan 0.000 0.479 65 G N -2.346 106.269 108.800 -0.308 0.000 2.159 65 G HA2 0.117 4.077 3.960 0.001 0.000 0.227 65 G HA3 0.117 4.077 3.960 0.001 0.000 0.227 65 G C 0.407 175.282 174.900 -0.042 0.000 0.986 65 G CA 0.211 45.235 45.100 -0.127 0.000 0.651 65 G HN 1.529 nan 8.290 nan 0.000 0.523 66 A N -0.340 122.453 122.820 -0.045 0.000 2.351 66 A HA 0.777 5.098 4.320 0.001 0.000 0.257 66 A C 0.177 177.927 177.584 0.276 0.000 1.087 66 A CA 0.082 52.189 52.037 0.116 0.000 0.798 66 A CB 0.468 19.496 19.000 0.047 0.000 1.033 66 A HN 0.838 nan 8.150 nan 0.000 0.488 67 I N 0.920 121.670 120.570 0.300 0.000 2.389 67 I HA 0.253 4.424 4.170 0.001 0.000 0.288 67 I C 0.213 176.265 176.117 -0.107 0.000 0.999 67 I CA -0.134 61.241 61.300 0.125 0.000 1.129 67 I CB 1.775 39.819 38.000 0.072 0.000 1.288 67 I HN 0.809 nan 8.210 nan 0.000 0.444 68 E N 6.563 126.550 120.200 -0.355 0.000 2.313 68 E HA 0.505 4.856 4.350 0.001 0.000 0.276 68 E C -1.162 175.239 176.600 -0.331 0.000 1.031 68 E CA -0.510 55.423 56.400 -0.779 0.000 0.857 68 E CB 0.929 30.223 29.700 -0.677 0.000 1.040 68 E HN 0.469 nan 8.360 nan 0.000 0.408 69 L N 1.981 123.046 121.223 -0.265 0.000 2.218 69 L HA 0.717 5.057 4.340 0.001 0.000 0.243 69 L C -1.603 175.251 176.870 -0.027 0.000 1.132 69 L CA -1.219 53.557 54.840 -0.105 0.000 1.052 69 L CB 0.254 42.277 42.059 -0.061 0.000 1.599 69 L HN 0.460 nan 8.230 nan 0.000 0.468 70 L N 0.354 121.594 121.223 0.028 0.000 2.516 70 L HA 0.696 5.037 4.340 0.001 0.000 0.267 70 L C -1.286 175.661 176.870 0.129 0.000 0.957 70 L CA -0.179 54.743 54.840 0.137 0.000 0.860 70 L CB 1.822 43.941 42.059 0.100 0.000 1.265 70 L HN 0.679 nan 8.230 nan 0.000 0.403 71 M N 6.580 126.314 119.600 0.224 0.000 2.314 71 M HA 0.519 5.000 4.480 0.001 0.000 0.342 71 M C -2.142 174.264 176.300 0.176 0.000 1.171 71 M CA -1.661 53.708 55.300 0.115 0.000 1.098 71 M CB 1.325 33.904 32.600 -0.036 0.000 1.559 71 M HN 0.413 nan 8.290 nan 0.000 0.459 72 P HA 0.036 nan 4.420 nan 0.000 0.272 72 P C 0.329 177.650 177.300 0.035 0.000 1.230 72 P CA -0.049 63.080 63.100 0.049 0.000 0.788 72 P CB 0.313 32.020 31.700 0.011 0.000 0.949 73 T N -0.723 113.796 114.554 -0.059 0.000 2.867 73 T HA 0.004 4.354 4.350 0.001 0.000 0.268 73 T C 1.000 175.504 174.700 -0.327 0.000 1.057 73 T CA 0.721 62.685 62.100 -0.228 0.000 1.136 73 T CB -0.446 68.116 68.868 -0.510 0.000 0.874 73 T HN 0.236 nan 8.240 nan 0.000 0.466 74 L N 1.615 122.697 121.223 -0.236 0.000 2.307 74 L HA 0.534 4.874 4.340 0.001 0.000 0.282 74 L C -0.066 176.773 176.870 -0.051 0.000 1.051 74 L CA -0.780 53.957 54.840 -0.172 0.000 0.804 74 L CB 1.471 43.433 42.059 -0.161 0.000 1.197 74 L HN 0.251 nan 8.230 nan 0.000 0.431 75 Q N 2.621 122.411 119.800 -0.016 0.000 2.451 75 Q HA 0.560 4.901 4.340 0.001 0.000 0.281 75 Q C -1.230 174.786 176.000 0.027 0.000 1.099 75 Q CA -0.970 54.867 55.803 0.057 0.000 0.806 75 Q CB 3.235 32.094 28.738 0.203 0.000 1.419 75 Q HN 0.486 nan 8.270 nan 0.000 0.427 76 L N 1.340 122.595 121.223 0.054 0.000 2.331 76 L HA 0.220 4.561 4.340 0.001 0.000 0.278 76 L C 1.208 178.076 176.870 -0.004 0.000 1.106 76 L CA -0.097 54.745 54.840 0.004 0.000 0.824 76 L CB 0.848 42.907 42.059 0.000 0.000 1.142 76 L HN 0.935 nan 8.230 nan 0.000 0.443 77 A N 2.117 124.832 122.820 -0.175 0.000 1.948 77 A HA -0.223 4.097 4.320 0.001 0.000 0.220 77 A C 1.697 179.067 177.584 -0.358 0.000 1.177 77 A CA 1.832 53.560 52.037 -0.516 0.000 0.636 77 A CB -0.354 18.081 19.000 -0.941 0.000 0.815 77 A HN 0.857 nan 8.150 nan 0.000 0.449 78 D N -0.737 119.547 120.400 -0.194 0.000 2.218 78 D HA -0.109 4.531 4.640 0.001 0.000 0.204 78 D C 1.745 178.039 176.300 -0.011 0.000 0.976 78 D CA 1.027 54.967 54.000 -0.100 0.000 0.853 78 D CB -0.286 40.474 40.800 -0.067 0.000 0.939 78 D HN 0.398 nan 8.370 nan 0.000 0.481 79 L N -0.675 120.577 121.223 0.048 0.000 2.046 79 L HA -0.101 4.240 4.340 0.001 0.000 0.208 79 L C 1.696 178.605 176.870 0.065 0.000 1.077 79 L CA 1.519 56.396 54.840 0.061 0.000 0.747 79 L CB -0.598 41.514 42.059 0.088 0.000 0.896 79 L HN 0.033 nan 8.230 nan 0.000 0.432 80 W N 0.087 121.368 121.300 -0.031 0.000 2.465 80 W HA -0.014 4.646 4.660 0.001 0.000 0.268 80 W C 2.635 179.215 176.519 0.102 0.000 1.242 80 W CA 0.828 58.212 57.345 0.065 0.000 1.248 80 W CB -0.336 29.219 29.460 0.159 0.000 1.118 80 W HN 0.067 nan 8.180 nan 0.000 0.587 81 R N 0.223 120.846 120.500 0.204 0.000 2.115 81 R HA -0.095 4.246 4.340 0.001 0.000 0.226 81 R C 1.851 178.210 176.300 0.097 0.000 1.100 81 R CA 1.261 57.450 56.100 0.149 0.000 0.980 81 R CB -0.387 29.945 30.300 0.054 0.000 0.875 81 R HN 0.289 nan 8.270 nan 0.000 0.445 82 E N 0.433 120.668 120.200 0.057 0.000 2.097 82 E HA -0.195 4.155 4.350 0.001 0.000 0.196 82 E C 1.895 178.514 176.600 0.031 0.000 1.000 82 E CA 1.870 58.288 56.400 0.031 0.000 0.804 82 E CB -0.048 29.657 29.700 0.007 0.000 0.740 82 E HN 0.337 nan 8.360 nan 0.000 0.454 83 S N -1.134 114.588 115.700 0.038 0.000 2.524 83 S HA 0.167 4.638 4.470 0.001 0.000 0.216 83 S C 1.631 176.257 174.600 0.044 0.000 0.987 83 S CA 0.522 58.738 58.200 0.025 0.000 0.909 83 S CB 0.685 63.911 63.200 0.043 0.000 0.781 83 S HN 0.372 nan 8.310 nan 0.000 0.521 84 G N 1.854 110.718 108.800 0.107 0.000 2.162 84 G HA2 -0.289 3.671 3.960 0.001 0.000 0.260 84 G HA3 -0.289 3.671 3.960 0.001 0.000 0.260 84 G C 0.945 175.964 174.900 0.199 0.000 0.976 84 G CA 0.426 45.607 45.100 0.134 0.000 0.655 84 G HN 0.516 nan 8.290 nan 0.000 0.533 85 R N -1.351 119.314 120.500 0.274 0.000 2.200 85 R HA 0.088 4.429 4.340 0.001 0.000 0.208 85 R C 2.006 178.636 176.300 0.550 0.000 1.033 85 R CA 0.853 57.201 56.100 0.414 0.000 1.000 85 R CB -0.215 30.368 30.300 0.472 0.000 0.906 85 R HN 0.496 nan 8.270 nan 0.000 0.462 86 Y N 2.366 122.910 120.300 0.407 0.000 2.081 86 Y HA -0.278 4.272 4.550 0.001 0.000 0.280 86 Y C 1.620 177.637 175.900 0.196 0.000 1.163 86 Y CA 1.759 60.042 58.100 0.305 0.000 1.135 86 Y CB -0.077 38.521 38.460 0.230 0.000 0.970 86 Y HN -0.012 nan 8.280 nan 0.000 0.498 87 D N -1.138 119.340 120.400 0.130 0.000 2.348 87 D HA 0.112 4.753 4.640 0.001 0.000 0.211 87 D C 1.768 178.091 176.300 0.037 0.000 0.998 87 D CA 0.923 54.920 54.000 -0.005 0.000 0.873 87 D CB 0.086 40.928 40.800 0.069 0.000 0.925 87 D HN 0.436 nan 8.370 nan 0.000 0.524 88 A N -0.401 122.490 122.820 0.117 0.000 2.169 88 A HA -0.021 4.300 4.320 0.001 0.000 0.210 88 A C 1.791 179.454 177.584 0.131 0.000 1.168 88 A CA -0.065 52.036 52.037 0.107 0.000 0.813 88 A CB -0.356 18.710 19.000 0.110 0.000 0.861 88 A HN 0.131 nan 8.150 nan 0.000 0.481 89 Y N 0.811 121.163 120.300 0.087 0.000 2.165 89 Y HA 0.172 4.723 4.550 0.001 0.000 0.286 89 Y C 1.410 177.333 175.900 0.039 0.000 1.155 89 Y CA 1.484 59.646 58.100 0.103 0.000 1.164 89 Y CB -0.135 38.412 38.460 0.145 0.000 0.978 89 Y HN 0.598 nan 8.280 nan 0.000 0.513 90 G N -1.499 107.368 108.800 0.112 0.000 2.525 90 G HA2 -0.164 3.797 3.960 0.001 0.000 0.685 90 G HA3 -0.164 3.797 3.960 0.001 0.000 0.685 90 G C -2.092 172.856 174.900 0.080 0.000 1.290 90 G CA -0.448 44.674 45.100 0.036 0.000 0.915 90 G HN 0.069 nan 8.290 nan 0.000 0.548 91 P HA 0.075 nan 4.420 nan 0.000 0.237 91 P C 0.999 178.354 177.300 0.091 0.000 1.178 91 P CA 1.108 64.236 63.100 0.047 0.000 0.766 91 P CB 0.113 31.828 31.700 0.024 0.000 0.876 92 E N -0.625 119.654 120.200 0.132 0.000 2.347 92 E HA -0.003 4.347 4.350 0.001 0.000 0.196 92 E C 1.073 177.827 176.600 0.257 0.000 1.008 92 E CA 0.048 56.558 56.400 0.185 0.000 0.852 92 E CB -0.149 29.652 29.700 0.169 0.000 0.783 92 E HN 0.309 nan 8.360 nan 0.000 0.505 93 M N 2.120 121.861 119.600 0.235 0.000 2.184 93 M HA 0.080 4.560 4.480 0.001 0.000 0.351 93 M C -0.757 175.574 176.300 0.052 0.000 1.395 93 M CA -0.302 55.034 55.300 0.061 0.000 1.117 93 M CB 0.469 32.996 32.600 -0.123 0.000 1.708 93 M HN -0.023 nan 8.290 nan 0.000 0.468 94 L N 7.307 128.581 121.223 0.085 0.000 2.268 94 L HA 0.369 4.710 4.340 0.001 0.000 0.289 94 L C -0.473 176.389 176.870 -0.013 0.000 1.064 94 L CA 0.288 55.153 54.840 0.042 0.000 0.824 94 L CB 0.295 42.336 42.059 -0.030 0.000 1.202 94 L HN 0.662 nan 8.230 nan 0.000 0.433 95 R N 5.473 125.963 120.500 -0.017 0.000 2.404 95 R HA 0.680 5.021 4.340 0.001 0.000 0.291 95 R C -0.954 175.342 176.300 -0.005 0.000 1.025 95 R CA -0.523 55.577 56.100 0.000 0.000 0.991 95 R CB 1.329 31.640 30.300 0.019 0.000 1.053 95 R HN 0.593 nan 8.270 nan 0.000 0.479 96 I N 0.987 121.557 120.570 0.001 0.000 2.619 96 I HA 0.407 4.578 4.170 0.001 0.000 0.292 96 I C -0.737 175.377 176.117 -0.006 0.000 1.100 96 I CA -0.847 60.444 61.300 -0.015 0.000 1.043 96 I CB 2.332 40.315 38.000 -0.029 0.000 1.239 96 I HN 0.611 nan 8.210 nan 0.000 0.420 97 A N 3.933 126.747 122.820 -0.010 0.000 2.318 97 A HA 0.676 4.996 4.320 0.001 0.000 0.324 97 A C -0.761 176.808 177.584 -0.024 0.000 1.170 97 A CA -0.613 51.419 52.037 -0.009 0.000 0.810 97 A CB 0.742 19.741 19.000 -0.002 0.000 1.198 97 A HN 0.759 nan 8.150 nan 0.000 0.484 98 D N 1.116 121.502 120.400 -0.023 0.000 2.478 98 D HA 0.137 4.777 4.640 0.001 0.000 0.274 98 D C 1.224 177.473 176.300 -0.085 0.000 1.234 98 D CA -0.447 53.525 54.000 -0.047 0.000 1.069 98 D CB 0.310 41.096 40.800 -0.024 0.000 1.113 98 D HN 0.539 nan 8.370 nan 0.000 0.571 99 R N -1.265 119.125 120.500 -0.183 0.000 2.280 99 R HA -0.062 4.278 4.340 0.001 0.000 0.207 99 R C 0.625 176.725 176.300 -0.334 0.000 1.043 99 R CA 0.831 56.766 56.100 -0.274 0.000 1.006 99 R CB -0.529 29.554 30.300 -0.361 0.000 0.885 99 R HN 0.438 nan 8.270 nan 0.000 0.467 100 H N 1.297 120.359 119.070 -0.014 0.000 2.517 100 H HA 0.254 4.811 4.556 0.001 0.000 0.282 100 H C 0.029 175.350 175.328 -0.011 0.000 1.023 100 H CA 0.047 56.087 56.048 -0.012 0.000 1.169 100 H CB 0.455 30.209 29.762 -0.014 0.000 1.454 100 H HN 0.207 nan 8.280 nan 0.000 0.556 101 K N 0.480 120.908 120.400 0.047 0.000 3.341 101 K HA -0.180 4.141 4.320 0.001 0.000 0.305 101 K C 0.051 176.671 176.600 0.034 0.000 1.270 101 K CA 0.428 56.733 56.287 0.030 0.000 0.897 101 K CB -0.828 31.691 32.500 0.030 0.000 1.264 101 K HN 0.308 nan 8.250 nan 0.000 0.468 102 R N 1.596 122.124 120.500 0.047 0.000 2.543 102 R HA 0.140 4.481 4.340 0.001 0.000 0.277 102 R C -0.089 176.213 176.300 0.004 0.000 1.074 102 R CA -0.003 56.112 56.100 0.025 0.000 1.076 102 R CB 0.414 30.734 30.300 0.034 0.000 0.993 102 R HN 0.182 nan 8.270 nan 0.000 0.459 103 E N 2.787 122.977 120.200 -0.017 0.000 2.130 103 E HA 0.237 4.588 4.350 0.001 0.000 0.284 103 E C -0.451 176.119 176.600 -0.049 0.000 1.018 103 E CA -0.166 56.219 56.400 -0.025 0.000 0.817 103 E CB 0.978 30.651 29.700 -0.046 0.000 1.078 103 E HN 0.242 nan 8.360 nan 0.000 0.396 104 L N 3.257 124.463 121.223 -0.028 0.000 2.256 104 L HA 0.659 5.000 4.340 0.001 0.000 0.261 104 L C -0.741 176.106 176.870 -0.037 0.000 1.022 104 L CA -1.249 53.566 54.840 -0.041 0.000 0.828 104 L CB 1.093 43.129 42.059 -0.038 0.000 1.374 104 L HN 0.447 nan 8.230 nan 0.000 0.436 105 L N -1.908 119.274 121.223 -0.068 0.000 2.518 105 L HA 0.500 4.841 4.340 0.001 0.000 0.257 105 L C -1.271 175.576 176.870 -0.038 0.000 0.980 105 L CA -0.713 54.080 54.840 -0.077 0.000 0.837 105 L CB 1.566 43.498 42.059 -0.212 0.000 1.410 105 L HN 0.355 nan 8.230 nan 0.000 0.410 106 Y N 1.326 121.565 120.300 -0.101 0.000 2.480 106 Y HA 0.498 5.048 4.550 0.001 0.000 0.341 106 Y C 1.191 177.084 175.900 -0.011 0.000 1.031 106 Y CA -0.144 57.931 58.100 -0.042 0.000 1.295 106 Y CB 1.150 39.573 38.460 -0.061 0.000 1.162 106 Y HN 0.940 nan 8.280 nan 0.000 0.523 107 G N 7.946 116.897 108.800 0.251 0.000 2.254 107 G HA2 0.066 4.026 3.960 0.001 0.000 0.253 107 G HA3 0.066 4.026 3.960 0.001 0.000 0.253 107 G C -1.960 173.117 174.900 0.296 0.000 1.246 107 G CA -0.998 44.244 45.100 0.237 0.000 0.946 107 G HN 0.633 nan 8.290 nan 0.000 0.474 108 P HA 0.097 nan 4.420 nan 0.000 0.240 108 P C 0.616 178.134 177.300 0.363 0.000 1.190 108 P CA 0.653 63.913 63.100 0.268 0.000 0.781 108 P CB 0.887 32.693 31.700 0.177 0.000 0.931 109 T N -1.413 113.375 114.554 0.390 0.000 2.663 109 T HA 0.325 4.676 4.350 0.001 0.000 0.305 109 T C -1.254 173.649 174.700 0.338 0.000 1.660 109 T CA -0.473 61.866 62.100 0.398 0.000 0.976 109 T CB 0.060 69.168 68.868 0.399 0.000 1.705 109 T HN -0.246 nan 8.240 nan 0.000 0.494 110 N N 0.138 118.960 118.700 0.204 0.000 2.307 110 N HA 0.262 5.002 4.740 0.001 0.000 0.248 110 N C 0.566 175.712 175.510 -0.607 0.000 1.322 110 N CA -0.190 52.799 53.050 -0.102 0.000 0.861 110 N CB 0.865 39.333 38.487 -0.032 0.000 1.303 110 N HN 0.472 nan 8.380 nan 0.000 0.498 111 E N 0.924 120.733 120.200 -0.651 0.000 2.038 111 E HA -0.180 4.171 4.350 0.001 0.000 0.195 111 E C 1.252 177.272 176.600 -0.966 0.000 1.000 111 E CA 1.367 57.148 56.400 -1.032 0.000 0.803 111 E CB 0.078 28.843 29.700 -1.558 0.000 0.750 111 E HN 0.314 nan 8.360 nan 0.000 0.448 112 E N 0.145 119.804 120.200 -0.902 0.000 2.058 112 E HA -0.200 4.150 4.350 0.001 0.000 0.194 112 E C 1.997 178.381 176.600 -0.360 0.000 0.997 112 E CA 1.374 57.424 56.400 -0.583 0.000 0.801 112 E CB -0.205 29.073 29.700 -0.704 0.000 0.746 112 E HN 0.251 nan 8.360 nan 0.000 0.450 113 M N -0.203 119.194 119.600 -0.338 0.000 2.099 113 M HA -0.124 4.357 4.480 0.001 0.000 0.262 113 M C 2.039 178.241 176.300 -0.163 0.000 1.067 113 M CA 1.244 56.434 55.300 -0.184 0.000 1.124 113 M CB 0.012 32.549 32.600 -0.106 0.000 1.353 113 M HN 0.183 nan 8.290 nan 0.000 0.410 114 I N 0.284 120.697 120.570 -0.262 0.000 2.394 114 I HA -0.221 3.950 4.170 0.001 0.000 0.251 114 I C 1.924 178.103 176.117 0.104 0.000 1.136 114 I CA 1.684 62.914 61.300 -0.117 0.000 1.425 114 I CB -0.458 37.377 38.000 -0.276 0.000 1.079 114 I HN 0.325 nan 8.210 nan 0.000 0.425 115 T N 0.270 114.844 114.554 0.032 0.000 2.821 115 T HA -0.175 4.176 4.350 0.001 0.000 0.267 115 T C 1.863 176.637 174.700 0.123 0.000 1.046 115 T CA 1.384 63.590 62.100 0.177 0.000 1.139 115 T CB -0.274 68.641 68.868 0.078 0.000 0.871 115 T HN 0.402 nan 8.240 nan 0.000 0.454 116 E N 1.104 121.309 120.200 0.009 0.000 2.077 116 E HA -0.110 4.241 4.350 0.001 0.000 0.193 116 E C 2.168 178.740 176.600 -0.048 0.000 0.989 116 E CA 0.995 57.381 56.400 -0.024 0.000 0.800 116 E CB -0.257 29.410 29.700 -0.054 0.000 0.746 116 E HN 0.516 nan 8.360 nan 0.000 0.452 117 I N 0.151 120.715 120.570 -0.010 0.000 2.163 117 I HA -0.249 3.921 4.170 0.001 0.000 0.240 117 I C 2.492 178.610 176.117 0.002 0.000 1.081 117 I CA 1.084 62.389 61.300 0.009 0.000 1.353 117 I CB -0.463 37.585 38.000 0.079 0.000 1.054 117 I HN 0.074 nan 8.210 nan 0.000 0.407 118 F N 2.629 122.492 119.950 -0.144 0.000 2.120 118 F HA -0.289 4.238 4.527 0.001 0.000 0.300 118 F C 2.765 178.459 175.800 -0.178 0.000 1.095 118 F CA 2.001 59.840 58.000 -0.267 0.000 1.249 118 F CB -0.237 38.370 39.000 -0.655 0.000 0.995 118 F HN -0.021 nan 8.300 nan 0.000 0.480 119 R N 0.435 120.913 120.500 -0.037 0.000 2.236 119 R HA 0.148 4.489 4.340 0.001 0.000 0.208 119 R C 2.003 178.151 176.300 -0.254 0.000 1.036 119 R CA 0.923 56.969 56.100 -0.091 0.000 1.001 119 R CB -0.816 29.523 30.300 0.064 0.000 0.896 119 R HN 0.250 nan 8.270 nan 0.000 0.464 120 A N 0.334 122.912 122.820 -0.404 0.000 2.015 120 A HA -0.057 4.263 4.320 0.001 0.000 0.219 120 A C 0.820 177.994 177.584 -0.683 0.000 1.163 120 A CA 0.774 52.413 52.037 -0.663 0.000 0.646 120 A CB -0.251 18.102 19.000 -1.077 0.000 0.806 120 A HN 0.515 nan 8.150 nan 0.000 0.448 121 Y N -1.909 118.246 120.300 -0.242 0.000 2.441 121 Y HA 0.391 4.942 4.550 0.001 0.000 0.266 121 Y C 0.232 175.938 175.900 -0.324 0.000 1.093 121 Y CA -1.208 56.746 58.100 -0.242 0.000 1.246 121 Y CB 0.678 39.010 38.460 -0.213 0.000 1.262 121 Y HN -0.011 nan 8.280 nan 0.000 0.518 122 I N 1.682 121.995 120.570 -0.428 0.000 2.378 122 I HA 0.321 4.491 4.170 0.001 0.000 0.291 122 I C 0.245 176.128 176.117 -0.389 0.000 0.992 122 I CA -0.433 60.541 61.300 -0.544 0.000 1.154 122 I CB 1.836 39.171 38.000 -1.109 0.000 1.315 122 I HN 0.080 nan 8.210 nan 0.000 0.448 123 K N 2.533 122.833 120.400 -0.167 0.000 2.554 123 K HA 0.166 4.486 4.320 0.001 0.000 0.211 123 K C 0.182 176.803 176.600 0.035 0.000 1.226 123 K CA 0.073 56.328 56.287 -0.053 0.000 1.025 123 K CB 1.296 33.771 32.500 -0.042 0.000 1.021 123 K HN 0.515 nan 8.250 nan 0.000 0.600 124 S N 0.251 115.974 115.700 0.037 0.000 2.521 124 S HA 0.245 4.716 4.470 0.001 0.000 0.295 124 S C 0.900 175.576 174.600 0.127 0.000 1.098 124 S CA -0.734 57.530 58.200 0.107 0.000 0.999 124 S CB 0.705 63.926 63.200 0.034 0.000 1.034 124 S HN 0.315 nan 8.310 nan 0.000 0.483 125 Y N 3.544 123.894 120.300 0.082 0.000 2.446 125 Y HA 0.018 4.569 4.550 0.001 0.000 0.287 125 Y C 1.495 177.446 175.900 0.085 0.000 1.159 125 Y CA 1.292 59.452 58.100 0.099 0.000 1.297 125 Y CB -0.314 38.195 38.460 0.082 0.000 0.974 125 Y HN 0.600 nan 8.280 nan 0.000 0.557 126 K N 0.422 120.411 120.400 -0.687 0.000 2.362 126 K HA -0.028 4.293 4.320 0.001 0.000 0.200 126 K C 1.627 178.102 176.600 -0.209 0.000 1.046 126 K CA 1.055 56.999 56.287 -0.571 0.000 0.952 126 K CB -0.071 32.142 32.500 -0.477 0.000 0.753 126 K HN 0.335 nan 8.250 nan 0.000 0.466 127 S N 0.674 116.318 115.700 -0.094 0.000 2.558 127 S HA 0.126 4.596 4.470 0.001 0.000 0.217 127 S C 0.591 175.235 174.600 0.074 0.000 0.975 127 S CA 0.225 58.420 58.200 -0.008 0.000 0.912 127 S CB 0.084 63.283 63.200 -0.003 0.000 0.776 127 S HN 0.133 nan 8.310 nan 0.000 0.526 128 L N 2.541 123.819 121.223 0.092 0.000 2.330 128 L HA 0.488 4.829 4.340 0.001 0.000 0.271 128 L C -2.290 174.649 176.870 0.114 0.000 1.013 128 L CA -2.438 52.498 54.840 0.161 0.000 0.816 128 L CB 0.648 42.847 42.059 0.233 0.000 1.287 128 L HN -0.066 nan 8.230 nan 0.000 0.435 129 P HA 0.196 nan 4.420 nan 0.000 0.271 129 P C -1.175 176.231 177.300 0.177 0.000 1.216 129 P CA -0.320 62.873 63.100 0.156 0.000 0.776 129 P CB 1.552 33.321 31.700 0.116 0.000 0.881 130 L N 2.487 123.867 121.223 0.262 0.000 2.409 130 L HA 0.490 4.830 4.340 0.001 0.000 0.272 130 L C -0.828 176.276 176.870 0.390 0.000 0.980 130 L CA -0.525 54.492 54.840 0.296 0.000 0.826 130 L CB 1.463 43.722 42.059 0.332 0.000 1.268 130 L HN 0.442 nan 8.230 nan 0.000 0.407 131 N N 4.888 123.767 118.700 0.297 0.000 2.483 131 N HA 0.638 5.378 4.740 0.001 0.000 0.267 131 N C -1.722 173.995 175.510 0.345 0.000 0.998 131 N CA -0.530 52.707 53.050 0.313 0.000 0.918 131 N CB 0.965 39.546 38.487 0.157 0.000 1.215 131 N HN 0.609 nan 8.380 nan 0.000 0.500 132 L N 3.946 125.440 121.223 0.451 0.000 2.329 132 L HA 0.559 4.900 4.340 0.001 0.000 0.279 132 L C -0.820 176.325 176.870 0.458 0.000 1.014 132 L CA -1.074 53.995 54.840 0.383 0.000 0.814 132 L CB 0.984 43.247 42.059 0.339 0.000 1.257 132 L HN 0.591 nan 8.230 nan 0.000 0.424 133 Y N 0.394 120.827 120.300 0.222 0.000 2.581 133 Y HA 0.752 5.303 4.550 0.001 0.000 0.345 133 Y C -0.768 175.294 175.900 0.270 0.000 1.036 133 Y CA -1.051 57.195 58.100 0.243 0.000 1.042 133 Y CB 1.380 39.935 38.460 0.157 0.000 1.289 133 Y HN 0.698 nan 8.280 nan 0.000 0.471 134 H N 0.534 119.738 119.070 0.224 0.000 2.949 134 H HA 0.792 5.349 4.556 0.001 0.000 0.356 134 H C -1.754 173.678 175.328 0.175 0.000 1.212 134 H CA -1.718 54.371 56.048 0.069 0.000 1.136 134 H CB 2.643 32.433 29.762 0.047 0.000 1.869 134 H HN 0.706 nan 8.280 nan 0.000 0.556 135 I N 2.094 122.653 120.570 -0.018 0.000 2.390 135 I HA 0.247 4.418 4.170 0.001 0.000 0.283 135 I C -0.858 175.043 176.117 -0.360 0.000 1.016 135 I CA -0.354 60.842 61.300 -0.174 0.000 1.151 135 I CB 1.479 39.428 38.000 -0.085 0.000 1.293 135 I HN 0.542 nan 8.210 nan 0.000 0.458 136 Q N 5.237 124.718 119.800 -0.531 0.000 2.418 136 Q HA 0.417 4.758 4.340 0.001 0.000 0.282 136 Q C -1.965 173.808 176.000 -0.380 0.000 1.044 136 Q CA -0.559 54.983 55.803 -0.435 0.000 0.813 136 Q CB 1.738 30.158 28.738 -0.530 0.000 1.428 136 Q HN 0.391 nan 8.270 nan 0.000 0.402 137 W N 2.368 123.638 121.300 -0.051 0.000 2.190 137 W HA 0.469 5.129 4.660 0.001 0.000 0.330 137 W C 0.209 176.755 176.519 0.045 0.000 1.299 137 W CA 0.112 57.455 57.345 -0.004 0.000 1.215 137 W CB 0.747 30.282 29.460 0.124 0.000 1.147 137 W HN 0.406 nan 8.180 nan 0.000 0.563 138 K N 1.773 122.173 120.400 -0.000 0.000 2.395 138 K HA 0.674 4.995 4.320 0.001 0.000 0.245 138 K C -1.745 174.694 176.600 -0.269 0.000 1.017 138 K CA -1.172 55.026 56.287 -0.147 0.000 0.852 138 K CB 2.191 34.323 32.500 -0.613 0.000 1.311 138 K HN 0.265 nan 8.250 nan 0.000 0.452 139 F N 1.048 120.839 119.950 -0.265 0.000 2.557 139 F HA 0.461 4.988 4.527 0.001 0.000 0.316 139 F C -1.069 174.803 175.800 0.120 0.000 1.141 139 F CA -0.501 57.363 58.000 -0.226 0.000 0.922 139 F CB 1.530 40.139 39.000 -0.652 0.000 1.194 139 F HN 0.249 nan 8.300 nan 0.000 0.443 140 R N 3.437 123.908 120.500 -0.049 0.000 2.513 140 R HA 0.195 4.536 4.340 0.001 0.000 0.301 140 R C -1.333 174.823 176.300 -0.241 0.000 0.968 140 R CA -0.928 55.220 56.100 0.079 0.000 0.872 140 R CB 1.593 32.031 30.300 0.230 0.000 1.177 140 R HN 0.463 nan 8.270 nan 0.000 0.444 141 D N 2.659 123.076 120.400 0.029 0.000 2.801 141 D HA -0.014 4.627 4.640 0.001 0.000 0.232 141 D C -0.261 176.046 176.300 0.012 0.000 1.128 141 D CA -0.193 53.852 54.000 0.075 0.000 1.003 141 D CB -0.047 40.930 40.800 0.296 0.000 1.110 141 D HN 0.327 nan 8.370 nan 0.000 0.477 142 E N 0.798 120.955 120.200 -0.070 0.000 2.765 142 E HA -0.175 4.176 4.350 0.001 0.000 0.256 142 E C 1.175 177.754 176.600 -0.036 0.000 0.935 142 E CA 0.473 56.839 56.400 -0.058 0.000 0.954 142 E CB 0.549 30.192 29.700 -0.095 0.000 0.908 142 E HN 0.372 nan 8.360 nan 0.000 0.500 143 Q N 4.213 123.997 119.800 -0.025 0.000 2.045 143 Q HA -0.180 4.161 4.340 0.001 0.000 0.206 143 Q C -0.040 175.940 176.000 -0.034 0.000 0.991 143 Q CA 1.531 57.322 55.803 -0.020 0.000 0.851 143 Q CB 0.241 28.968 28.738 -0.019 0.000 0.911 143 Q HN 0.427 nan 8.270 nan 0.000 0.418 144 R N 1.097 121.564 120.500 -0.054 0.000 2.443 144 R HA 0.381 4.722 4.340 0.001 0.000 0.287 144 R C -2.655 173.581 176.300 -0.107 0.000 1.425 144 R CA -1.873 54.182 56.100 -0.076 0.000 1.300 144 R CB 1.215 31.465 30.300 -0.083 0.000 1.129 144 R HN 0.127 nan 8.270 nan 0.000 0.577 145 P HA 0.012 nan 4.420 nan 0.000 0.263 145 P C -0.355 176.854 177.300 -0.152 0.000 1.175 145 P CA 0.413 63.454 63.100 -0.097 0.000 0.761 145 P CB 0.577 32.237 31.700 -0.067 0.000 0.794 146 R N 2.105 122.481 120.500 -0.207 0.000 2.716 146 R HA 0.429 4.770 4.340 0.001 0.000 0.271 146 R C -0.714 175.409 176.300 -0.294 0.000 1.028 146 R CA -0.692 55.156 56.100 -0.421 0.000 0.883 146 R CB 0.755 30.527 30.300 -0.880 0.000 1.250 146 R HN 0.264 nan 8.270 nan 0.000 0.465 147 F N 0.156 120.063 119.950 -0.073 0.000 3.018 147 F HA -0.231 4.296 4.527 0.001 0.000 0.287 147 F C 0.852 176.436 175.800 -0.361 0.000 0.813 147 F CA 1.471 59.394 58.000 -0.129 0.000 1.209 147 F CB -2.233 36.722 39.000 -0.074 0.000 1.321 147 F HN 1.024 nan 8.300 nan 0.000 0.477 148 G N 0.103 108.561 108.800 -0.571 0.000 2.583 148 G HA2 -0.281 3.679 3.960 0.001 0.000 0.292 148 G HA3 -0.281 3.679 3.960 0.001 0.000 0.292 148 G C 0.931 175.544 174.900 -0.477 0.000 1.203 148 G CA 1.421 45.965 45.100 -0.927 0.000 0.987 148 G HN 1.617 nan 8.290 nan 0.000 0.554 149 V N -1.079 118.551 119.914 -0.473 0.000 3.078 149 V HA 0.175 4.295 4.120 0.001 0.000 0.265 149 V C 2.516 178.609 176.094 -0.002 0.000 1.122 149 V CA 2.947 65.129 62.300 -0.197 0.000 1.141 149 V CB -0.468 31.332 31.823 -0.040 0.000 0.735 149 V HN 0.593 nan 8.190 nan 0.000 0.498 150 M N -0.389 119.200 119.600 -0.018 0.000 2.501 150 M HA 0.242 4.723 4.480 0.001 0.000 0.261 150 M C 1.549 177.872 176.300 0.038 0.000 1.129 150 M CA 0.742 56.056 55.300 0.024 0.000 1.126 150 M CB 0.270 32.883 32.600 0.022 0.000 1.359 150 M HN 0.274 nan 8.290 nan 0.000 0.471 151 R N 0.896 121.427 120.500 0.053 0.000 2.638 151 R HA 0.320 4.661 4.340 0.001 0.000 0.269 151 R C -0.345 175.945 176.300 -0.017 0.000 1.393 151 R CA -0.305 55.802 56.100 0.011 0.000 1.531 151 R CB 0.566 30.904 30.300 0.064 0.000 1.327 151 R HN 0.221 nan 8.270 nan 0.000 0.709 152 G N -0.104 108.709 108.800 0.021 0.000 2.736 152 G HA2 0.284 4.245 3.960 0.001 0.000 0.229 152 G HA3 0.284 4.245 3.960 0.001 0.000 0.229 152 G C 0.309 175.201 174.900 -0.013 0.000 1.380 152 G CA -0.398 44.748 45.100 0.077 0.000 1.040 152 G HN 0.278 nan 8.290 nan 0.000 0.568 153 R N -1.115 119.357 120.500 -0.048 0.000 2.215 153 R HA 0.197 4.537 4.340 0.001 0.000 0.190 153 R C 0.372 176.460 176.300 -0.353 0.000 0.968 153 R CA -0.064 55.800 56.100 -0.394 0.000 1.122 153 R CB 0.407 30.309 30.300 -0.664 0.000 1.151 153 R HN 0.545 nan 8.270 nan 0.000 0.582 154 E N 1.462 121.661 120.200 -0.001 0.000 2.115 154 E HA 0.218 4.568 4.350 0.001 0.000 0.282 154 E C -1.289 175.659 176.600 0.580 0.000 0.987 154 E CA -0.482 56.062 56.400 0.240 0.000 0.797 154 E CB 0.566 30.417 29.700 0.251 0.000 1.086 154 E HN 0.004 nan 8.360 nan 0.000 0.397 155 F N 2.593 122.830 119.950 0.479 0.000 2.599 155 F HA 0.558 5.086 4.527 0.001 0.000 0.311 155 F C -1.865 174.040 175.800 0.174 0.000 1.076 155 F CA -1.548 56.713 58.000 0.436 0.000 0.937 155 F CB 0.822 39.943 39.000 0.201 0.000 1.282 155 F HN 0.252 nan 8.300 nan 0.000 0.460 156 L N 3.960 125.032 121.223 -0.252 0.000 2.295 156 L HA 0.698 5.039 4.340 0.001 0.000 0.285 156 L C -0.911 175.783 176.870 -0.293 0.000 1.035 156 L CA -0.671 53.653 54.840 -0.861 0.000 0.806 156 L CB 1.578 42.737 42.059 -1.500 0.000 1.214 156 L HN 0.947 nan 8.230 nan 0.000 0.426 157 M N 4.713 124.151 119.600 -0.270 0.000 2.457 157 M HA 0.433 4.914 4.480 0.001 0.000 0.300 157 M C -1.293 174.942 176.300 -0.108 0.000 1.141 157 M CA -0.692 54.572 55.300 -0.060 0.000 0.901 157 M CB 1.517 34.195 32.600 0.131 0.000 1.687 157 M HN 0.472 nan 8.290 nan 0.000 0.449 158 K N 4.133 124.505 120.400 -0.046 0.000 2.285 158 K HA 0.225 4.545 4.320 0.001 0.000 0.286 158 K C -1.769 174.894 176.600 0.105 0.000 1.072 158 K CA -0.076 56.227 56.287 0.027 0.000 0.913 158 K CB 0.413 32.900 32.500 -0.022 0.000 1.067 158 K HN 0.833 nan 8.250 nan 0.000 0.479 159 D N 2.978 123.510 120.400 0.219 0.000 2.492 159 D HA 0.432 5.073 4.640 0.001 0.000 0.248 159 D C -0.951 175.418 176.300 0.114 0.000 1.101 159 D CA -0.692 53.396 54.000 0.147 0.000 0.840 159 D CB 1.657 42.586 40.800 0.215 0.000 1.209 159 D HN 0.385 nan 8.370 nan 0.000 0.524 160 A N 2.215 124.964 122.820 -0.118 0.000 2.340 160 A HA 0.699 5.020 4.320 0.001 0.000 0.331 160 A C -1.618 175.790 177.584 -0.293 0.000 1.140 160 A CA -0.794 51.269 52.037 0.044 0.000 0.801 160 A CB 1.072 20.175 19.000 0.172 0.000 1.234 160 A HN 0.535 nan 8.150 nan 0.000 0.469 161 Y N 0.708 121.182 120.300 0.290 0.000 2.354 161 Y HA 0.474 5.025 4.550 0.001 0.000 0.330 161 Y C 0.550 176.464 175.900 0.024 0.000 1.011 161 Y CA -0.492 57.663 58.100 0.091 0.000 1.099 161 Y CB 2.279 40.745 38.460 0.011 0.000 1.179 161 Y HN 0.748 nan 8.280 nan 0.000 0.442 162 S N 2.311 118.051 115.700 0.067 0.000 2.578 162 S HA 0.823 5.294 4.470 0.001 0.000 0.283 162 S C -1.153 173.201 174.600 -0.409 0.000 1.195 162 S CA -0.564 57.651 58.200 0.026 0.000 1.050 162 S CB 0.831 64.175 63.200 0.240 0.000 1.012 162 S HN 0.390 nan 8.310 nan 0.000 0.511 163 F N 0.706 120.680 119.950 0.040 0.000 2.539 163 F HA 0.564 5.092 4.527 0.001 0.000 0.318 163 F C 0.194 176.014 175.800 0.033 0.000 1.135 163 F CA -0.610 57.334 58.000 -0.093 0.000 0.915 163 F CB 2.114 40.881 39.000 -0.388 0.000 1.176 163 F HN 0.586 nan 8.300 nan 0.000 0.440 164 D N 1.373 121.899 120.400 0.210 0.000 2.570 164 D HA 0.288 4.928 4.640 0.001 0.000 0.244 164 D C 0.519 176.950 176.300 0.218 0.000 1.178 164 D CA -0.437 53.684 54.000 0.201 0.000 0.881 164 D CB 3.178 44.066 40.800 0.148 0.000 1.453 164 D HN 0.240 nan 8.370 nan 0.000 0.447 165 V N 0.186 120.211 119.914 0.185 0.000 2.515 165 V HA -0.107 4.013 4.120 0.001 0.000 0.250 165 V C 0.561 176.705 176.094 0.084 0.000 1.058 165 V CA 1.648 64.053 62.300 0.176 0.000 1.064 165 V CB -0.663 31.259 31.823 0.165 0.000 0.675 165 V HN 0.620 nan 8.190 nan 0.000 0.461 166 D N -2.716 117.636 120.400 -0.079 0.000 2.768 166 D HA 0.118 4.759 4.640 0.001 0.000 0.327 166 D C 0.734 176.719 176.300 -0.525 0.000 1.302 166 D CA -0.458 53.264 54.000 -0.463 0.000 0.897 166 D CB 0.966 41.622 40.800 -0.240 0.000 1.420 166 D HN -0.046 nan 8.370 nan 0.000 0.494 167 E N -0.329 119.510 120.200 -0.601 0.000 2.077 167 E HA -0.165 4.186 4.350 0.001 0.000 0.193 167 E C 1.913 178.365 176.600 -0.247 0.000 0.989 167 E CA 1.363 57.572 56.400 -0.318 0.000 0.800 167 E CB -0.233 29.330 29.700 -0.229 0.000 0.746 167 E HN 0.477 nan 8.360 nan 0.000 0.452 168 A N 0.873 123.582 122.820 -0.185 0.000 1.873 168 A HA -0.176 4.145 4.320 0.001 0.000 0.218 168 A C 2.450 179.983 177.584 -0.084 0.000 1.193 168 A CA 2.061 54.023 52.037 -0.124 0.000 0.629 168 A CB -1.438 17.510 19.000 -0.086 0.000 0.826 168 A HN 0.468 nan 8.150 nan 0.000 0.447 169 G N -0.836 107.933 108.800 -0.052 0.000 2.418 169 G HA2 0.021 3.982 3.960 0.001 0.000 0.217 169 G HA3 0.021 3.982 3.960 0.001 0.000 0.217 169 G C 1.748 176.661 174.900 0.021 0.000 1.158 169 G CA 1.492 46.594 45.100 0.004 0.000 0.771 169 G HN 0.863 nan 8.290 nan 0.000 0.545 170 A N 0.676 123.502 122.820 0.010 0.000 1.908 170 A HA -0.063 4.258 4.320 0.001 0.000 0.218 170 A C 2.314 179.907 177.584 0.014 0.000 1.181 170 A CA 1.917 53.990 52.037 0.061 0.000 0.627 170 A CB -0.477 18.621 19.000 0.164 0.000 0.818 170 A HN 0.373 nan 8.150 nan 0.000 0.445 171 R N -0.150 120.279 120.500 -0.119 0.000 2.081 171 R HA -0.150 4.191 4.340 0.001 0.000 0.235 171 R C 2.091 178.407 176.300 0.027 0.000 1.131 171 R CA 1.866 57.900 56.100 -0.110 0.000 0.960 171 R CB -0.215 29.974 30.300 -0.186 0.000 0.856 171 R HN 0.550 nan 8.270 nan 0.000 0.436 172 K N -0.402 120.008 120.400 0.015 0.000 2.026 172 K HA -0.057 4.264 4.320 0.001 0.000 0.208 172 K C 2.177 178.813 176.600 0.060 0.000 1.048 172 K CA 1.790 58.099 56.287 0.036 0.000 0.929 172 K CB -0.040 32.475 32.500 0.025 0.000 0.713 172 K HN 0.073 nan 8.250 nan 0.000 0.439 173 S N 0.455 116.199 115.700 0.073 0.000 2.370 173 S HA -0.194 4.277 4.470 0.001 0.000 0.226 173 S C 1.740 176.348 174.600 0.014 0.000 1.033 173 S CA 1.221 59.452 58.200 0.051 0.000 1.011 173 S CB -0.396 62.865 63.200 0.102 0.000 0.852 173 S HN 0.330 nan 8.310 nan 0.000 0.457 174 Y N 3.046 123.353 120.300 0.013 0.000 2.128 174 Y HA -0.211 4.340 4.550 0.001 0.000 0.284 174 Y C 2.115 178.019 175.900 0.006 0.000 1.154 174 Y CA 1.651 59.790 58.100 0.065 0.000 1.149 174 Y CB -0.376 38.174 38.460 0.149 0.000 0.976 174 Y HN 0.191 nan 8.280 nan 0.000 0.505 175 N N 0.533 119.363 118.700 0.218 0.000 2.069 175 N HA -0.184 4.557 4.740 0.001 0.000 0.191 175 N C 1.656 177.200 175.510 0.055 0.000 1.031 175 N CA 1.714 54.832 53.050 0.114 0.000 0.852 175 N CB -0.376 38.142 38.487 0.052 0.000 1.018 175 N HN 0.401 nan 8.380 nan 0.000 0.423 176 K N 0.232 120.648 120.400 0.027 0.000 2.059 176 K HA -0.106 4.214 4.320 0.001 0.000 0.212 176 K C 1.941 178.484 176.600 -0.094 0.000 1.050 176 K CA 1.195 57.521 56.287 0.065 0.000 0.927 176 K CB -0.146 32.344 32.500 -0.016 0.000 0.714 176 K HN 0.190 nan 8.250 nan 0.000 0.447 177 M N -0.346 119.018 119.600 -0.394 0.000 2.175 177 M HA -0.110 4.371 4.480 0.001 0.000 0.264 177 M C 2.123 178.059 176.300 -0.608 0.000 1.063 177 M CA 1.267 56.147 55.300 -0.700 0.000 1.119 177 M CB -0.761 31.042 32.600 -1.328 0.000 1.377 177 M HN 0.109 nan 8.290 nan 0.000 0.415 178 F N 1.132 120.790 119.950 -0.487 0.000 2.065 178 F HA -0.256 4.271 4.527 0.001 0.000 0.298 178 F C 2.272 177.985 175.800 -0.146 0.000 1.112 178 F CA 1.673 59.535 58.000 -0.230 0.000 1.212 178 F CB -0.114 38.810 39.000 -0.127 0.000 0.975 178 F HN -0.165 nan 8.300 nan 0.000 0.476 179 V N 0.419 120.459 119.914 0.209 0.000 2.295 179 V HA -0.348 3.773 4.120 0.001 0.000 0.246 179 V C 2.683 178.803 176.094 0.044 0.000 1.049 179 V CA 1.818 64.194 62.300 0.126 0.000 1.024 179 V CB -1.610 30.263 31.823 0.083 0.000 0.648 179 V HN 0.503 nan 8.190 nan 0.000 0.447 180 A N -0.957 121.886 122.820 0.039 0.000 1.917 180 A HA -0.264 4.057 4.320 0.001 0.000 0.219 180 A C 2.126 179.620 177.584 -0.150 0.000 1.182 180 A CA 2.179 54.182 52.037 -0.057 0.000 0.633 180 A CB -0.760 18.127 19.000 -0.187 0.000 0.819 180 A HN 0.565 nan 8.150 nan 0.000 0.448 181 Y N -0.181 119.779 120.300 -0.566 0.000 2.263 181 Y HA -0.042 4.508 4.550 0.001 0.000 0.292 181 Y C 2.247 177.707 175.900 -0.734 0.000 1.130 181 Y CA 0.466 58.002 58.100 -0.941 0.000 1.179 181 Y CB -0.823 36.756 38.460 -1.468 0.000 0.998 181 Y HN 0.195 nan 8.280 nan 0.000 0.532 182 L N -0.548 120.515 121.223 -0.267 0.000 2.013 182 L HA -0.303 4.038 4.340 0.001 0.000 0.212 182 L C 2.561 179.343 176.870 -0.147 0.000 1.073 182 L CA 1.668 56.397 54.840 -0.184 0.000 0.753 182 L CB -0.509 41.377 42.059 -0.289 0.000 0.890 182 L HN 0.141 nan 8.230 nan 0.000 0.432 183 R N -0.934 119.473 120.500 -0.155 0.000 2.073 183 R HA -0.090 4.250 4.340 0.001 0.000 0.229 183 R C 2.303 178.492 176.300 -0.185 0.000 1.120 183 R CA 1.681 57.714 56.100 -0.112 0.000 0.967 183 R CB -0.513 29.751 30.300 -0.060 0.000 0.862 183 R HN 0.355 nan 8.270 nan 0.000 0.436 184 T N 1.059 115.391 114.554 -0.371 0.000 2.652 184 T HA -0.144 4.207 4.350 0.001 0.000 0.267 184 T C 1.468 175.900 174.700 -0.446 0.000 1.039 184 T CA 1.580 63.359 62.100 -0.535 0.000 1.153 184 T CB -0.267 68.029 68.868 -0.954 0.000 0.863 184 T HN 0.081 nan 8.240 nan 0.000 0.428 185 F N 1.534 121.376 119.950 -0.179 0.000 2.206 185 F HA 0.259 4.787 4.527 0.001 0.000 0.298 185 F C 2.652 178.421 175.800 -0.051 0.000 1.090 185 F CA 0.001 57.928 58.000 -0.121 0.000 1.323 185 F CB -1.323 37.605 39.000 -0.120 0.000 1.028 185 F HN 0.124 nan 8.300 nan 0.000 0.492 186 A N 0.474 123.356 122.820 0.103 0.000 1.908 186 A HA -0.209 4.112 4.320 0.001 0.000 0.218 186 A C 2.322 179.939 177.584 0.055 0.000 1.181 186 A CA 1.581 53.668 52.037 0.084 0.000 0.627 186 A CB -0.744 18.299 19.000 0.070 0.000 0.818 186 A HN 0.309 nan 8.150 nan 0.000 0.445 187 R N -1.197 119.309 120.500 0.010 0.000 2.237 187 R HA 0.048 4.389 4.340 0.001 0.000 0.219 187 R C 1.418 177.731 176.300 0.022 0.000 1.080 187 R CA 1.227 57.328 56.100 0.003 0.000 0.995 187 R CB -0.256 30.020 30.300 -0.040 0.000 0.875 187 R HN 0.561 nan 8.270 nan 0.000 0.462 188 M N -0.764 118.863 119.600 0.046 0.000 2.494 188 M HA 0.165 4.646 4.480 0.001 0.000 0.232 188 M C 0.688 177.050 176.300 0.103 0.000 1.137 188 M CA 0.336 55.682 55.300 0.077 0.000 1.012 188 M CB 1.098 33.761 32.600 0.104 0.000 1.567 188 M HN 0.328 nan 8.290 nan 0.000 0.486 189 G N 1.730 110.585 108.800 0.091 0.000 2.147 189 G HA2 -0.230 3.731 3.960 0.001 0.000 0.244 189 G HA3 -0.230 3.731 3.960 0.001 0.000 0.244 189 G C -0.240 174.711 174.900 0.084 0.000 1.005 189 G CA -0.109 45.043 45.100 0.087 0.000 0.713 189 G HN 0.422 nan 8.290 nan 0.000 0.515 190 L N -0.702 120.581 121.223 0.100 0.000 2.342 190 L HA 0.568 4.909 4.340 0.001 0.000 0.271 190 L C 0.462 177.393 176.870 0.103 0.000 1.008 190 L CA -1.005 53.887 54.840 0.086 0.000 0.818 190 L CB 1.804 43.907 42.059 0.073 0.000 1.296 190 L HN -0.068 nan 8.230 nan 0.000 0.427 191 K N 2.487 122.936 120.400 0.082 0.000 2.290 191 K HA 0.465 4.786 4.320 0.001 0.000 0.250 191 K C -0.566 176.078 176.600 0.074 0.000 1.092 191 K CA -0.327 56.028 56.287 0.114 0.000 1.006 191 K CB 1.300 33.873 32.500 0.121 0.000 1.549 191 K HN 0.625 nan 8.250 nan 0.000 0.436 192 A N 4.752 127.612 122.820 0.066 0.000 2.316 192 A HA 0.311 4.631 4.320 0.001 0.000 0.311 192 A C 0.063 177.696 177.584 0.081 0.000 1.339 192 A CA -0.640 51.379 52.037 -0.031 0.000 0.960 192 A CB 0.049 18.857 19.000 -0.320 0.000 1.152 192 A HN 0.509 nan 8.150 nan 0.000 0.547 193 I N 4.858 125.446 120.570 0.030 0.000 2.371 193 I HA 0.258 4.428 4.170 0.001 0.000 0.290 193 I C -2.129 173.868 176.117 -0.201 0.000 1.028 193 I CA -2.696 58.629 61.300 0.041 0.000 1.345 193 I CB 0.932 38.990 38.000 0.096 0.000 1.407 193 I HN 0.388 nan 8.210 nan 0.000 0.501 194 P HA 0.253 nan 4.420 nan 0.000 0.276 194 P C -0.839 176.355 177.300 -0.177 0.000 1.253 194 P CA -0.151 62.448 63.100 -0.836 0.000 0.766 194 P CB 0.764 31.776 31.700 -1.146 0.000 0.845 195 M N 3.149 122.693 119.600 -0.093 0.000 2.326 195 M HA 0.358 4.838 4.480 0.001 0.000 0.306 195 M C 0.616 176.964 176.300 0.081 0.000 1.054 195 M CA -0.792 54.526 55.300 0.030 0.000 0.922 195 M CB 2.762 35.349 32.600 -0.022 0.000 1.632 195 M HN 0.178 nan 8.290 nan 0.000 0.436 196 R N 1.370 121.877 120.500 0.011 0.000 2.585 196 R HA 0.396 4.737 4.340 0.001 0.000 0.275 196 R C -0.378 175.862 176.300 -0.099 0.000 1.018 196 R CA 0.189 56.181 56.100 -0.179 0.000 1.072 196 R CB 0.346 30.542 30.300 -0.173 0.000 0.953 196 R HN 0.769 nan 8.270 nan 0.000 0.419 197 A N 2.182 124.950 122.820 -0.086 0.000 2.530 197 A HA 0.282 4.603 4.320 0.001 0.000 0.288 197 A C -0.933 176.683 177.584 0.053 0.000 1.172 197 A CA -0.821 51.224 52.037 0.013 0.000 0.733 197 A CB 1.110 20.148 19.000 0.065 0.000 1.320 197 A HN 0.715 nan 8.150 nan 0.000 0.419 198 E N 0.801 121.041 120.200 0.067 0.000 2.820 198 E HA 0.180 4.530 4.350 0.001 0.000 0.251 198 E C 0.583 177.294 176.600 0.186 0.000 0.944 198 E CA 1.004 57.454 56.400 0.084 0.000 0.955 198 E CB 0.116 29.843 29.700 0.045 0.000 0.904 198 E HN 0.697 nan 8.360 nan 0.000 0.513 199 T N 1.566 116.235 114.554 0.191 0.000 2.862 199 T HA 0.649 4.999 4.350 0.001 0.000 0.276 199 T C 0.821 175.715 174.700 0.323 0.000 0.974 199 T CA -0.579 61.703 62.100 0.303 0.000 0.966 199 T CB 1.580 70.534 68.868 0.143 0.000 1.072 199 T HN 0.457 nan 8.240 nan 0.000 0.538 200 G N -0.142 108.887 108.800 0.382 0.000 2.535 200 G HA2 0.457 4.418 3.960 0.001 0.000 0.282 200 G HA3 0.457 4.418 3.960 0.001 0.000 0.282 200 G C -1.504 173.478 174.900 0.136 0.000 1.350 200 G CA -1.402 43.875 45.100 0.294 0.000 1.039 200 G HN 0.571 nan 8.290 nan 0.000 0.509 201 P HA -0.086 nan 4.420 nan 0.000 0.218 201 P C 1.860 179.184 177.300 0.040 0.000 1.146 201 P CA 0.758 63.888 63.100 0.051 0.000 0.813 201 P CB 0.059 31.779 31.700 0.033 0.000 0.778 202 I N -1.795 118.798 120.570 0.038 0.000 2.091 202 I HA -0.196 3.975 4.170 0.001 0.000 0.239 202 I C 1.794 177.933 176.117 0.036 0.000 1.061 202 I CA 1.806 63.127 61.300 0.035 0.000 1.317 202 I CB -1.306 36.721 38.000 0.045 0.000 1.031 202 I HN 0.151 nan 8.210 nan 0.000 0.401 203 G N -0.507 108.318 108.800 0.042 0.000 2.464 203 G HA2 0.232 4.193 3.960 0.001 0.000 0.216 203 G HA3 0.232 4.193 3.960 0.001 0.000 0.216 203 G C 0.282 175.192 174.900 0.018 0.000 1.186 203 G CA -0.561 44.557 45.100 0.032 0.000 1.010 203 G HN 1.357 nan 8.290 nan 0.000 0.585 204 G N -0.620 108.179 108.800 -0.002 0.000 2.693 204 G HA2 0.327 4.288 3.960 0.001 0.000 0.226 204 G HA3 0.327 4.288 3.960 0.001 0.000 0.226 204 G C 0.188 175.059 174.900 -0.049 0.000 1.354 204 G CA 0.990 46.070 45.100 -0.032 0.000 0.873 204 G HN 2.455 nan 8.290 nan 0.000 0.562 205 D N -1.041 119.305 120.400 -0.091 0.000 2.563 205 D HA 0.201 4.842 4.640 0.001 0.000 0.237 205 D C 1.091 177.313 176.300 -0.130 0.000 1.282 205 D CA -0.137 53.810 54.000 -0.089 0.000 0.816 205 D CB -0.166 40.600 40.800 -0.055 0.000 1.066 205 D HN 0.493 nan 8.370 nan 0.000 0.501 206 L N 0.797 121.893 121.223 -0.212 0.000 2.923 206 L HA 0.356 4.697 4.340 0.001 0.000 0.231 206 L C -0.023 176.836 176.870 -0.018 0.000 1.300 206 L CA -0.360 54.221 54.840 -0.431 0.000 1.184 206 L CB 0.258 41.862 42.059 -0.758 0.000 1.511 206 L HN -0.032 nan 8.230 nan 0.000 0.448 207 S N -0.011 115.772 115.700 0.139 0.000 2.720 207 S HA 0.542 5.013 4.470 0.001 0.000 0.278 207 S C -1.143 173.498 174.600 0.068 0.000 1.172 207 S CA -0.443 57.950 58.200 0.322 0.000 1.019 207 S CB 0.608 64.021 63.200 0.354 0.000 1.049 207 S HN 0.502 nan 8.310 nan 0.000 0.483 208 H N 1.694 121.009 119.070 0.408 0.000 2.768 208 H HA 0.521 5.078 4.556 0.001 0.000 0.371 208 H C -0.846 174.589 175.328 0.179 0.000 1.151 208 H CA -0.655 55.523 56.048 0.216 0.000 1.165 208 H CB 1.643 31.498 29.762 0.155 0.000 1.722 208 H HN 0.529 nan 8.280 nan 0.000 0.543 209 E N 2.031 122.333 120.200 0.170 0.000 2.187 209 E HA 0.271 4.622 4.350 0.001 0.000 0.268 209 E C -1.013 175.596 176.600 0.016 0.000 0.896 209 E CA -0.673 55.824 56.400 0.163 0.000 0.766 209 E CB 1.862 31.618 29.700 0.094 0.000 1.142 209 E HN 0.346 nan 8.360 nan 0.000 0.408 210 F N 3.377 123.334 119.950 0.012 0.000 2.390 210 F HA 0.363 4.891 4.527 0.001 0.000 0.361 210 F C 0.151 175.822 175.800 -0.216 0.000 1.124 210 F CA -0.390 57.548 58.000 -0.104 0.000 1.149 210 F CB 0.498 39.448 39.000 -0.084 0.000 1.160 210 F HN 0.199 nan 8.300 nan 0.000 0.501 211 I N 4.042 124.572 120.570 -0.068 0.000 2.465 211 I HA 0.321 4.491 4.170 0.001 0.000 0.291 211 I C -0.852 175.207 176.117 -0.096 0.000 1.014 211 I CA -0.992 60.254 61.300 -0.091 0.000 1.093 211 I CB 1.982 39.947 38.000 -0.059 0.000 1.267 211 I HN 0.120 nan 8.210 nan 0.000 0.431 212 V N 6.862 126.703 119.914 -0.120 0.000 2.406 212 V HA 0.238 4.359 4.120 0.001 0.000 0.272 212 V C 0.421 176.478 176.094 -0.063 0.000 1.043 212 V CA -0.645 61.603 62.300 -0.087 0.000 0.915 212 V CB 1.115 32.876 31.823 -0.103 0.000 0.988 212 V HN 0.461 nan 8.190 nan 0.000 0.466 213 L N 5.087 126.286 121.223 -0.041 0.000 2.534 213 L HA 0.436 4.777 4.340 0.001 0.000 0.271 213 L C 0.455 177.297 176.870 -0.047 0.000 1.178 213 L CA 0.521 55.336 54.840 -0.043 0.000 0.907 213 L CB 0.086 42.129 42.059 -0.027 0.000 1.164 213 L HN 0.834 nan 8.230 nan 0.000 0.482 214 A N 3.182 125.965 122.820 -0.061 0.000 2.513 214 A HA 0.364 4.684 4.320 0.001 0.000 0.296 214 A C 0.294 177.831 177.584 -0.079 0.000 1.052 214 A CA -0.635 51.364 52.037 -0.063 0.000 0.714 214 A CB 1.131 20.090 19.000 -0.067 0.000 1.279 214 A HN 0.801 nan 8.150 nan 0.000 0.397 215 E N 0.785 120.943 120.200 -0.070 0.000 2.285 215 E HA -0.108 4.243 4.350 0.001 0.000 0.194 215 E C 1.432 177.971 176.600 -0.101 0.000 0.997 215 E CA 1.457 57.812 56.400 -0.075 0.000 0.845 215 E CB 0.023 29.690 29.700 -0.055 0.000 0.782 215 E HN 0.853 nan 8.360 nan 0.000 0.491 216 T N -1.475 113.002 114.554 -0.129 0.000 3.194 216 T HA 0.112 4.463 4.350 0.001 0.000 0.251 216 T C 0.922 175.451 174.700 -0.285 0.000 1.132 216 T CA -0.018 61.952 62.100 -0.217 0.000 1.028 216 T CB 0.118 68.835 68.868 -0.252 0.000 0.976 216 T HN 0.038 nan 8.240 nan 0.000 0.535 217 G N 1.545 110.233 108.800 -0.188 0.000 2.503 217 G HA2 0.377 4.337 3.960 0.001 0.000 0.257 217 G HA3 0.377 4.337 3.960 0.001 0.000 0.257 217 G C 0.743 175.562 174.900 -0.134 0.000 1.214 217 G CA -0.517 44.485 45.100 -0.164 0.000 0.839 217 G HN 0.452 nan 8.290 nan 0.000 0.559 218 E N 0.103 120.242 120.200 -0.101 0.000 2.474 218 E HA 0.046 4.396 4.350 0.001 0.000 0.194 218 E C 0.245 176.830 176.600 -0.025 0.000 1.041 218 E CA 0.057 56.432 56.400 -0.042 0.000 0.874 218 E CB 0.323 30.027 29.700 0.008 0.000 0.914 218 E HN 0.147 nan 8.360 nan 0.000 0.498 219 S N 1.136 116.812 115.700 -0.041 0.000 2.433 219 S HA 0.517 4.987 4.470 0.001 0.000 0.310 219 S C 0.049 174.623 174.600 -0.043 0.000 1.097 219 S CA -0.449 57.734 58.200 -0.028 0.000 1.103 219 S CB 1.582 64.765 63.200 -0.029 0.000 0.992 219 S HN 0.349 nan 8.310 nan 0.000 0.469 220 G N 1.824 110.610 108.800 -0.024 0.000 2.403 220 G HA2 0.524 4.485 3.960 0.001 0.000 0.259 220 G HA3 0.524 4.485 3.960 0.001 0.000 0.259 220 G C -0.185 174.679 174.900 -0.060 0.000 1.244 220 G CA -0.379 44.684 45.100 -0.062 0.000 0.849 220 G HN 0.833 nan 8.290 nan 0.000 0.532 221 V N 0.637 120.419 119.914 -0.220 0.000 3.159 221 V HA 0.854 4.974 4.120 0.001 0.000 0.308 221 V C -1.682 174.144 176.094 -0.447 0.000 1.190 221 V CA -1.583 60.622 62.300 -0.157 0.000 1.037 221 V CB 1.780 33.549 31.823 -0.091 0.000 1.060 221 V HN 0.693 nan 8.190 nan 0.000 0.437 222 Y N 3.754 123.913 120.300 -0.235 0.000 2.332 222 Y HA 0.802 5.353 4.550 0.001 0.000 0.325 222 Y C -0.103 175.704 175.900 -0.155 0.000 1.054 222 Y CA -0.581 57.306 58.100 -0.356 0.000 1.119 222 Y CB 1.938 39.802 38.460 -0.992 0.000 1.168 222 Y HN 0.967 nan 8.280 nan 0.000 0.439 223 I N -1.551 119.115 120.570 0.160 0.000 3.074 223 I HA 0.687 4.857 4.170 0.001 0.000 0.310 223 I C -1.330 175.015 176.117 0.380 0.000 1.153 223 I CA -1.058 60.407 61.300 0.276 0.000 0.993 223 I CB 2.421 40.511 38.000 0.150 0.000 1.237 223 I HN 0.320 nan 8.210 nan 0.000 0.443 224 D N 2.327 122.931 120.400 0.340 0.000 2.274 224 D HA 0.309 4.949 4.640 0.001 0.000 0.239 224 D C 0.656 177.038 176.300 0.137 0.000 1.104 224 D CA -0.296 53.846 54.000 0.236 0.000 0.840 224 D CB 1.770 42.710 40.800 0.232 0.000 1.100 224 D HN 0.598 nan 8.370 nan 0.000 0.477 225 R N 2.268 122.824 120.500 0.093 0.000 2.241 225 R HA -0.096 4.245 4.340 0.001 0.000 0.224 225 R C 0.608 176.924 176.300 0.027 0.000 1.101 225 R CA 0.689 56.822 56.100 0.056 0.000 0.995 225 R CB 0.275 30.598 30.300 0.038 0.000 0.870 225 R HN 0.478 nan 8.270 nan 0.000 0.463 226 D N -0.028 120.383 120.400 0.018 0.000 2.263 226 D HA -0.127 4.513 4.640 0.001 0.000 0.208 226 D C 1.707 177.964 176.300 -0.071 0.000 0.971 226 D CA 0.623 54.609 54.000 -0.024 0.000 0.867 226 D CB -0.069 40.716 40.800 -0.025 0.000 0.929 226 D HN 0.013 nan 8.370 nan 0.000 0.492 227 V N 0.553 120.446 119.914 -0.035 0.000 2.490 227 V HA -0.195 3.926 4.120 0.001 0.000 0.250 227 V C 2.135 178.190 176.094 -0.066 0.000 1.061 227 V CA 1.197 63.456 62.300 -0.070 0.000 1.064 227 V CB -0.200 31.661 31.823 0.064 0.000 0.670 227 V HN 0.184 nan 8.190 nan 0.000 0.461 228 L N -0.057 121.171 121.223 0.008 0.000 2.465 228 L HA -0.053 4.287 4.340 0.001 0.000 0.224 228 L C 1.826 178.707 176.870 0.018 0.000 1.145 228 L CA 1.497 56.367 54.840 0.050 0.000 0.834 228 L CB -0.582 41.507 42.059 0.051 0.000 0.944 228 L HN 0.434 nan 8.230 nan 0.000 0.451 229 N N -0.882 117.785 118.700 -0.054 0.000 2.325 229 N HA 0.158 4.898 4.740 0.001 0.000 0.182 229 N C 0.204 175.644 175.510 -0.117 0.000 1.088 229 N CA -0.278 52.737 53.050 -0.058 0.000 0.879 229 N CB 0.404 38.858 38.487 -0.055 0.000 0.983 229 N HN 0.163 nan 8.380 nan 0.000 0.471 230 L N 2.454 123.495 121.223 -0.302 0.000 2.483 230 L HA 0.179 4.520 4.340 0.001 0.000 0.276 230 L C -1.920 174.861 176.870 -0.149 0.000 1.213 230 L CA -1.444 53.092 54.840 -0.507 0.000 0.843 230 L CB -0.063 41.167 42.059 -1.381 0.000 1.107 230 L HN -0.046 nan 8.230 nan 0.000 0.487 231 P HA 0.185 nan 4.420 nan 0.000 0.290 231 P C -0.788 176.772 177.300 0.432 0.000 1.276 231 P CA -0.366 62.849 63.100 0.192 0.000 0.808 231 P CB 1.412 33.170 31.700 0.098 0.000 0.966 232 V N 5.967 126.105 119.914 0.373 0.000 2.488 232 V HA 0.182 4.303 4.120 0.001 0.000 0.277 232 V C -1.721 174.480 176.094 0.179 0.000 1.046 232 V CA -1.324 61.160 62.300 0.305 0.000 0.986 232 V CB 0.156 32.098 31.823 0.198 0.000 0.989 232 V HN 0.583 nan 8.190 nan 0.000 0.475 233 P HA 0.115 nan 4.420 nan 0.000 0.265 233 P C -0.605 176.716 177.300 0.035 0.000 1.187 233 P CA -0.178 62.960 63.100 0.063 0.000 0.766 233 P CB 0.328 32.034 31.700 0.009 0.000 0.820 234 D N 0.098 120.510 120.400 0.021 0.000 2.447 234 D HA 0.009 4.649 4.640 0.001 0.000 0.265 234 D C 0.982 177.287 176.300 0.009 0.000 1.250 234 D CA -0.518 53.493 54.000 0.019 0.000 1.046 234 D CB 0.144 40.956 40.800 0.020 0.000 1.095 234 D HN 0.538 nan 8.370 nan 0.000 0.555 235 E N -0.929 119.283 120.200 0.019 0.000 2.478 235 E HA -0.153 4.198 4.350 0.001 0.000 0.198 235 E C 0.177 176.796 176.600 0.033 0.000 1.046 235 E CA 0.362 56.781 56.400 0.032 0.000 0.870 235 E CB -0.395 29.322 29.700 0.027 0.000 0.818 235 E HN 0.267 nan 8.360 nan 0.000 0.527 236 N N 1.160 119.865 118.700 0.009 0.000 2.276 236 N HA 0.082 4.823 4.740 0.001 0.000 0.212 236 N C -0.420 175.070 175.510 -0.035 0.000 1.127 236 N CA -0.060 52.991 53.050 0.002 0.000 0.834 236 N CB 0.988 39.476 38.487 0.002 0.000 1.014 236 N HN 0.003 nan 8.380 nan 0.000 0.491 237 V N 1.696 121.557 119.914 -0.089 0.000 2.617 237 V HA -0.115 4.005 4.120 0.001 0.000 0.304 237 V C 0.411 176.356 176.094 -0.249 0.000 1.040 237 V CA 0.175 62.339 62.300 -0.226 0.000 1.149 237 V CB 0.693 32.270 31.823 -0.410 0.000 0.914 237 V HN 0.148 nan 8.190 nan 0.000 0.487 238 D N 4.884 125.166 120.400 -0.197 0.000 2.453 238 D HA 0.129 4.770 4.640 0.001 0.000 0.223 238 D C 0.429 176.664 176.300 -0.107 0.000 1.183 238 D CA -0.015 53.928 54.000 -0.095 0.000 0.933 238 D CB 0.276 41.046 40.800 -0.049 0.000 1.038 238 D HN 0.514 nan 8.370 nan 0.000 0.513 239 Y N 1.194 121.485 120.300 -0.014 0.000 2.509 239 Y HA -0.049 4.501 4.550 0.001 0.000 0.293 239 Y C 1.554 177.445 175.900 -0.015 0.000 1.133 239 Y CA 0.685 58.772 58.100 -0.022 0.000 1.283 239 Y CB 0.336 38.777 38.460 -0.032 0.000 1.001 239 Y HN 0.382 nan 8.280 nan 0.000 0.555 240 D N -0.923 119.546 120.400 0.116 0.000 2.340 240 D HA 0.083 4.724 4.640 0.001 0.000 0.220 240 D C 1.272 177.595 176.300 0.037 0.000 1.039 240 D CA 0.413 54.456 54.000 0.070 0.000 0.866 240 D CB -0.014 40.819 40.800 0.056 0.000 0.913 240 D HN 0.291 nan 8.370 nan 0.000 0.523 241 G N -0.082 108.728 108.800 0.017 0.000 2.606 241 G HA2 0.175 4.136 3.960 0.001 0.000 0.262 241 G HA3 0.175 4.136 3.960 0.001 0.000 0.262 241 G C -0.707 174.188 174.900 -0.009 0.000 1.394 241 G CA -0.401 44.697 45.100 -0.003 0.000 1.044 241 G HN -0.079 nan 8.290 nan 0.000 0.553 242 D N -0.636 119.754 120.400 -0.018 0.000 2.316 242 D HA 0.237 4.878 4.640 0.001 0.000 0.245 242 D C 1.122 177.401 176.300 -0.036 0.000 1.171 242 D CA -0.175 53.812 54.000 -0.021 0.000 0.856 242 D CB 0.868 41.657 40.800 -0.019 0.000 1.090 242 D HN 0.101 nan 8.370 nan 0.000 0.476 243 L N 2.825 124.025 121.223 -0.037 0.000 2.585 243 L HA 0.024 4.365 4.340 0.001 0.000 0.226 243 L C 2.032 178.868 176.870 -0.056 0.000 1.113 243 L CA 0.087 54.895 54.840 -0.053 0.000 0.876 243 L CB -0.082 41.949 42.059 -0.048 0.000 1.072 243 L HN 0.439 nan 8.230 nan 0.000 0.468 244 T N 0.704 115.227 114.554 -0.051 0.000 2.685 244 T HA -0.164 4.187 4.350 0.001 0.000 0.268 244 T C -0.576 174.092 174.700 -0.053 0.000 1.034 244 T CA 1.610 63.674 62.100 -0.061 0.000 1.149 244 T CB -1.167 67.672 68.868 -0.048 0.000 0.860 244 T HN 0.250 nan 8.240 nan 0.000 0.449 245 P HA 0.033 nan 4.420 nan 0.000 0.216 245 P C 1.433 178.737 177.300 0.007 0.000 1.150 245 P CA 0.843 63.934 63.100 -0.016 0.000 0.837 245 P CB -0.206 31.487 31.700 -0.011 0.000 0.786 246 I N -1.211 119.369 120.570 0.016 0.000 2.252 246 I HA -0.192 3.978 4.170 0.001 0.000 0.245 246 I C 2.013 178.194 176.117 0.108 0.000 1.102 246 I CA 1.142 62.502 61.300 0.100 0.000 1.385 246 I CB -0.592 37.456 38.000 0.080 0.000 1.064 246 I HN -0.131 nan 8.210 nan 0.000 0.414 247 I N 0.870 121.380 120.570 -0.100 0.000 2.252 247 I HA -0.256 3.915 4.170 0.001 0.000 0.245 247 I C 2.472 178.500 176.117 -0.148 0.000 1.102 247 I CA 1.527 62.618 61.300 -0.348 0.000 1.385 247 I CB -1.393 36.319 38.000 -0.480 0.000 1.064 247 I HN 0.259 nan 8.210 nan 0.000 0.414 248 K N 0.937 121.295 120.400 -0.071 0.000 2.009 248 K HA -0.278 4.043 4.320 0.001 0.000 0.210 248 K C 2.247 178.851 176.600 0.007 0.000 1.049 248 K CA 1.936 58.208 56.287 -0.027 0.000 0.929 248 K CB -0.165 32.321 32.500 -0.023 0.000 0.714 248 K HN 0.275 nan 8.250 nan 0.000 0.440 249 Q N -0.394 119.416 119.800 0.017 0.000 2.029 249 Q HA -0.225 4.116 4.340 0.001 0.000 0.209 249 Q C 1.658 177.634 176.000 -0.040 0.000 0.999 249 Q CA 2.568 58.356 55.803 -0.026 0.000 0.857 249 Q CB -0.327 28.391 28.738 -0.032 0.000 0.926 249 Q HN 0.487 nan 8.270 nan 0.000 0.415 250 W N -0.204 121.111 121.300 0.026 0.000 2.699 250 W HA -0.024 4.637 4.660 0.001 0.000 0.249 250 W C 1.914 178.489 176.519 0.094 0.000 1.280 250 W CA 1.466 58.872 57.345 0.102 0.000 1.345 250 W CB 0.212 29.831 29.460 0.264 0.000 1.128 250 W HN 0.421 nan 8.180 nan 0.000 0.642 251 T N -5.358 109.313 114.554 0.196 0.000 3.003 251 T HA 0.041 4.392 4.350 0.001 0.000 0.261 251 T C 1.790 176.548 174.700 0.098 0.000 1.003 251 T CA 0.497 62.689 62.100 0.153 0.000 0.917 251 T CB -0.457 68.482 68.868 0.119 0.000 1.084 251 T HN 0.013 nan 8.240 nan 0.000 0.522 252 S N 2.077 117.813 115.700 0.061 0.000 2.400 252 S HA 0.001 4.472 4.470 0.001 0.000 0.232 252 S C 0.857 175.498 174.600 0.069 0.000 1.025 252 S CA 0.547 58.774 58.200 0.045 0.000 0.993 252 S CB -1.145 62.062 63.200 0.011 0.000 0.808 252 S HN 0.685 nan 8.310 nan 0.000 0.478 253 V N -1.159 118.800 119.914 0.076 0.000 2.547 253 V HA 0.550 4.670 4.120 0.001 0.000 0.299 253 V C -0.119 176.084 176.094 0.182 0.000 1.040 253 V CA -1.681 60.690 62.300 0.118 0.000 0.913 253 V CB 0.259 32.126 31.823 0.073 0.000 0.992 253 V HN 0.314 nan 8.190 nan 0.000 0.449 254 Y N 2.943 123.308 120.300 0.108 0.000 2.717 254 Y HA 0.387 4.938 4.550 0.001 0.000 0.330 254 Y C 0.475 176.447 175.900 0.121 0.000 1.217 254 Y CA 1.115 59.293 58.100 0.129 0.000 1.506 254 Y CB 0.250 38.818 38.460 0.181 0.000 1.268 254 Y HN 1.154 nan 8.280 nan 0.000 0.561 255 A N 4.904 127.589 122.820 -0.224 0.000 2.485 255 A HA 0.796 5.116 4.320 0.001 0.000 0.285 255 A C -1.614 175.786 177.584 -0.307 0.000 1.045 255 A CA -0.023 51.931 52.037 -0.139 0.000 0.792 255 A CB 0.417 19.439 19.000 0.037 0.000 1.307 255 A HN 1.244 nan 8.150 nan 0.000 0.406 256 A N 1.555 124.202 122.820 -0.287 0.000 2.515 256 A HA 0.915 5.236 4.320 0.001 0.000 0.298 256 A C 0.184 177.762 177.584 -0.010 0.000 1.059 256 A CA 0.111 52.039 52.037 -0.181 0.000 0.698 256 A CB 0.953 19.796 19.000 -0.263 0.000 1.289 256 A HN 2.066 nan 8.150 nan 0.000 0.404 257 T N -1.153 113.412 114.554 0.018 0.000 2.754 257 T HA 0.263 4.614 4.350 0.001 0.000 0.286 257 T C 0.971 175.753 174.700 0.137 0.000 0.997 257 T CA 0.549 62.691 62.100 0.069 0.000 0.982 257 T CB 0.496 69.389 68.868 0.042 0.000 1.027 257 T HN 0.854 nan 8.240 nan 0.000 0.529 258 E N -0.046 120.255 120.200 0.169 0.000 2.409 258 E HA -0.144 4.206 4.350 0.001 0.000 0.198 258 E C 0.603 177.275 176.600 0.121 0.000 1.024 258 E CA 0.925 57.451 56.400 0.210 0.000 0.861 258 E CB -0.168 29.663 29.700 0.219 0.000 0.788 258 E HN 0.623 nan 8.360 nan 0.000 0.521 259 D N 1.129 121.578 120.400 0.082 0.000 2.213 259 D HA -0.071 4.569 4.640 0.001 0.000 0.205 259 D C 1.888 178.211 176.300 0.038 0.000 0.961 259 D CA 1.544 55.575 54.000 0.051 0.000 0.853 259 D CB 0.640 41.464 40.800 0.040 0.000 0.967 259 D HN 0.334 nan 8.370 nan 0.000 0.496 260 V N -1.561 118.378 119.914 0.040 0.000 3.346 260 V HA 0.235 4.355 4.120 0.001 0.000 0.309 260 V C 0.285 176.393 176.094 0.022 0.000 1.457 260 V CA -0.569 61.741 62.300 0.017 0.000 1.069 260 V CB -0.733 31.089 31.823 -0.002 0.000 0.944 260 V HN -0.051 nan 8.190 nan 0.000 0.449 261 H N 2.615 121.641 119.070 -0.073 0.000 2.848 261 H HA 0.471 5.028 4.556 0.001 0.000 0.317 261 H C -0.355 174.902 175.328 -0.119 0.000 1.046 261 H CA 0.441 56.408 56.048 -0.134 0.000 1.470 261 H CB 0.713 30.255 29.762 -0.367 0.000 1.483 261 H HN 0.391 nan 8.280 nan 0.000 0.548 262 E N 6.819 126.704 120.200 -0.525 0.000 2.207 262 E HA 0.165 4.515 4.350 0.001 0.000 0.250 262 E C -1.951 174.314 176.600 -0.559 0.000 0.890 262 E CA -2.158 53.958 56.400 -0.473 0.000 0.749 262 E CB 1.460 31.067 29.700 -0.156 0.000 1.193 262 E HN 0.609 nan 8.360 nan 0.000 0.423 263 P HA -0.224 nan 4.420 nan 0.000 0.218 263 P C 0.971 178.233 177.300 -0.063 0.000 1.147 263 P CA 1.522 64.466 63.100 -0.260 0.000 0.827 263 P CB 0.394 32.013 31.700 -0.135 0.000 0.778 264 A N -1.181 121.588 122.820 -0.085 0.000 2.072 264 A HA -0.059 4.262 4.320 0.001 0.000 0.216 264 A C 2.328 179.900 177.584 -0.020 0.000 1.156 264 A CA 0.786 52.800 52.037 -0.039 0.000 0.701 264 A CB -0.743 18.235 19.000 -0.037 0.000 0.816 264 A HN 0.051 nan 8.150 nan 0.000 0.458 265 R N -2.112 118.382 120.500 -0.009 0.000 2.100 265 R HA -0.067 4.274 4.340 0.001 0.000 0.220 265 R C 1.891 178.172 176.300 -0.031 0.000 1.091 265 R CA 0.911 57.032 56.100 0.036 0.000 0.986 265 R CB -0.408 29.976 30.300 0.139 0.000 0.888 265 R HN 0.445 nan 8.270 nan 0.000 0.444 266 Y N 2.046 122.127 120.300 -0.366 0.000 2.228 266 Y HA -0.256 4.295 4.550 0.001 0.000 0.285 266 Y C 1.393 177.105 175.900 -0.314 0.000 1.178 266 Y CA 2.001 59.715 58.100 -0.644 0.000 1.202 266 Y CB -0.106 38.149 38.460 -0.342 0.000 0.974 266 Y HN 0.193 nan 8.280 nan 0.000 0.527 267 E N -1.253 118.882 120.200 -0.108 0.000 2.140 267 E HA -0.066 4.284 4.350 0.001 0.000 0.191 267 E C 2.285 178.836 176.600 -0.080 0.000 0.973 267 E CA 1.001 57.321 56.400 -0.134 0.000 0.829 267 E CB -0.165 29.476 29.700 -0.099 0.000 0.781 267 E HN 0.417 nan 8.360 nan 0.000 0.466 268 S N 0.133 115.807 115.700 -0.043 0.000 2.507 268 S HA -0.065 4.405 4.470 0.001 0.000 0.235 268 S C 1.496 176.095 174.600 -0.003 0.000 0.988 268 S CA 0.878 59.067 58.200 -0.018 0.000 0.944 268 S CB 0.002 63.202 63.200 -0.000 0.000 0.762 268 S HN 0.188 nan 8.310 nan 0.000 0.526 269 E N 0.072 120.270 120.200 -0.003 0.000 2.354 269 E HA 0.232 4.583 4.350 0.001 0.000 0.203 269 E C -0.484 176.125 176.600 0.015 0.000 0.841 269 E CA 0.095 56.515 56.400 0.033 0.000 1.046 269 E CB 0.790 30.554 29.700 0.107 0.000 1.040 269 E HN 0.270 nan 8.360 nan 0.000 0.504 270 V N 3.906 123.802 119.914 -0.030 0.000 2.481 270 V HA 0.246 4.367 4.120 0.001 0.000 0.286 270 V C -2.379 173.661 176.094 -0.090 0.000 1.042 270 V CA -1.976 60.300 62.300 -0.040 0.000 0.928 270 V CB 1.041 32.839 31.823 -0.042 0.000 0.986 270 V HN 0.034 nan 8.190 nan 0.000 0.462 271 P HA 0.149 nan 4.420 nan 0.000 0.271 271 P C 0.779 178.020 177.300 -0.098 0.000 1.216 271 P CA -0.175 62.885 63.100 -0.067 0.000 0.776 271 P CB 0.790 32.467 31.700 -0.038 0.000 0.881 272 E N 2.502 122.640 120.200 -0.103 0.000 2.171 272 E HA -0.260 4.090 4.350 0.001 0.000 0.197 272 E C 1.560 178.109 176.600 -0.084 0.000 0.997 272 E CA 1.491 57.821 56.400 -0.117 0.000 0.810 272 E CB -0.255 29.391 29.700 -0.090 0.000 0.738 272 E HN 0.517 nan 8.360 nan 0.000 0.467 273 A N 0.420 123.207 122.820 -0.056 0.000 2.119 273 A HA -0.052 4.269 4.320 0.001 0.000 0.216 273 A C 1.729 179.299 177.584 -0.024 0.000 1.152 273 A CA 0.734 52.750 52.037 -0.035 0.000 0.708 273 A CB -0.166 18.819 19.000 -0.026 0.000 0.805 273 A HN 0.250 nan 8.150 nan 0.000 0.460 274 N N -0.475 118.209 118.700 -0.026 0.000 2.405 274 N HA 0.012 4.753 4.740 0.001 0.000 0.175 274 N C 0.143 175.667 175.510 0.023 0.000 1.051 274 N CA 0.006 53.056 53.050 0.001 0.000 0.899 274 N CB 0.211 38.703 38.487 0.009 0.000 1.000 274 N HN 0.422 nan 8.380 nan 0.000 0.451 275 R N 1.206 121.690 120.500 -0.027 0.000 2.537 275 R HA 0.228 4.568 4.340 0.001 0.000 0.280 275 R C -0.625 175.725 176.300 0.082 0.000 1.058 275 R CA 0.008 56.102 56.100 -0.011 0.000 1.057 275 R CB 0.666 30.776 30.300 -0.318 0.000 0.973 275 R HN 0.003 nan 8.270 nan 0.000 0.438 276 L N 2.670 124.023 121.223 0.217 0.000 2.493 276 L HA 0.376 4.717 4.340 0.001 0.000 0.265 276 L C -1.669 175.281 176.870 0.133 0.000 0.954 276 L CA -0.603 54.318 54.840 0.134 0.000 0.844 276 L CB 2.096 44.198 42.059 0.073 0.000 1.302 276 L HN 0.548 nan 8.230 nan 0.000 0.405 277 N N 2.976 121.686 118.700 0.017 0.000 2.483 277 N HA 0.703 5.443 4.740 0.001 0.000 0.267 277 N C -0.965 174.403 175.510 -0.236 0.000 0.998 277 N CA 0.160 53.084 53.050 -0.211 0.000 0.918 277 N CB 1.533 39.922 38.487 -0.164 0.000 1.215 277 N HN 0.827 nan 8.380 nan 0.000 0.500 278 T N 1.665 116.049 114.554 -0.283 0.000 2.587 278 T HA 0.611 4.961 4.350 0.001 0.000 0.282 278 T C -1.213 173.367 174.700 -0.200 0.000 1.018 278 T CA -0.470 61.516 62.100 -0.190 0.000 1.120 278 T CB 0.727 69.530 68.868 -0.108 0.000 1.538 278 T HN 0.476 nan 8.240 nan 0.000 0.480 279 R N -0.953 119.468 120.500 -0.132 0.000 2.837 279 R HA 0.732 5.073 4.340 0.001 0.000 0.271 279 R C -0.642 175.602 176.300 -0.092 0.000 0.993 279 R CA -0.908 55.124 56.100 -0.113 0.000 0.931 279 R CB 2.167 32.407 30.300 -0.099 0.000 1.206 279 R HN 0.873 nan 8.270 nan 0.000 0.474 280 G N 0.730 109.479 108.800 -0.085 0.000 2.649 280 G HA2 0.554 4.514 3.960 0.001 0.000 0.290 280 G HA3 0.554 4.514 3.960 0.001 0.000 0.290 280 G C -1.411 173.440 174.900 -0.081 0.000 1.426 280 G CA -0.752 44.300 45.100 -0.079 0.000 0.794 280 G HN 0.366 nan 8.290 nan 0.000 0.483 281 I N 0.866 121.385 120.570 -0.086 0.000 2.362 281 I HA 0.296 4.467 4.170 0.001 0.000 0.289 281 I C 0.119 176.178 176.117 -0.096 0.000 0.994 281 I CA -0.584 60.663 61.300 -0.089 0.000 1.158 281 I CB 2.006 39.950 38.000 -0.093 0.000 1.315 281 I HN 0.372 nan 8.210 nan 0.000 0.451 282 E N 5.880 126.035 120.200 -0.076 0.000 2.217 282 E HA 0.118 4.468 4.350 0.001 0.000 0.279 282 E C 0.474 177.017 176.600 -0.094 0.000 1.068 282 E CA -0.085 56.275 56.400 -0.067 0.000 0.882 282 E CB 1.315 30.999 29.700 -0.027 0.000 1.039 282 E HN 0.631 nan 8.360 nan 0.000 0.418 283 V N 1.344 121.154 119.914 -0.174 0.000 3.645 283 V HA 0.479 4.600 4.120 0.001 0.000 0.275 283 V C 0.550 176.559 176.094 -0.142 0.000 1.356 283 V CA 0.429 62.590 62.300 -0.232 0.000 1.051 283 V CB 0.747 32.304 31.823 -0.444 0.000 0.828 283 V HN 0.461 nan 8.190 nan 0.000 0.441 284 G N -0.116 108.664 108.800 -0.033 0.000 2.696 284 G HA2 0.628 4.588 3.960 0.001 0.000 0.295 284 G HA3 0.628 4.588 3.960 0.001 0.000 0.295 284 G C -1.872 173.256 174.900 0.380 0.000 1.398 284 G CA -0.594 44.624 45.100 0.196 0.000 0.920 284 G HN 0.243 nan 8.290 nan 0.000 0.492 285 Q N 0.481 120.552 119.800 0.451 0.000 2.275 285 Q HA 0.527 4.867 4.340 0.001 0.000 0.258 285 Q C -1.051 175.187 176.000 0.396 0.000 0.960 285 Q CA -0.762 55.269 55.803 0.379 0.000 0.801 285 Q CB 1.868 30.740 28.738 0.223 0.000 1.302 285 Q HN 0.772 nan 8.270 nan 0.000 0.433 286 I N 0.533 121.341 120.570 0.396 0.000 2.474 286 I HA 0.776 4.946 4.170 0.001 0.000 0.294 286 I C -1.471 174.944 176.117 0.497 0.000 1.005 286 I CA -0.958 60.518 61.300 0.294 0.000 1.113 286 I CB 1.642 39.644 38.000 0.003 0.000 1.289 286 I HN 0.588 nan 8.210 nan 0.000 0.436 287 F N 6.515 126.590 119.950 0.208 0.000 2.689 287 F HA 0.386 4.913 4.527 0.001 0.000 0.332 287 F C -1.513 174.398 175.800 0.186 0.000 1.209 287 F CA -0.824 57.343 58.000 0.279 0.000 1.028 287 F CB 1.533 40.649 39.000 0.194 0.000 1.291 287 F HN 0.583 nan 8.300 nan 0.000 0.500 288 Y N 7.704 127.798 120.300 -0.343 0.000 2.359 288 Y HA 0.365 4.916 4.550 0.001 0.000 0.334 288 Y C -0.034 175.445 175.900 -0.701 0.000 1.058 288 Y CA -0.567 57.242 58.100 -0.485 0.000 1.244 288 Y CB 0.627 38.864 38.460 -0.371 0.000 1.187 288 Y HN 0.502 nan 8.280 nan 0.000 0.510 289 F N 2.906 122.346 119.950 -0.850 0.000 2.706 289 F HA 0.593 5.121 4.527 0.001 0.000 0.313 289 F C 1.040 176.372 175.800 -0.779 0.000 1.096 289 F CA -0.418 57.181 58.000 -0.667 0.000 1.219 289 F CB -0.484 38.464 39.000 -0.087 0.000 1.051 289 F HN 0.775 nan 8.300 nan 0.000 0.568 290 G N 1.906 109.951 108.800 -1.258 0.000 2.583 290 G HA2 -0.389 3.572 3.960 0.001 0.000 0.292 290 G HA3 -0.389 3.572 3.960 0.001 0.000 0.292 290 G C 0.859 175.532 174.900 -0.379 0.000 1.203 290 G CA 1.133 45.754 45.100 -0.797 0.000 0.987 290 G HN 0.964 nan 8.290 nan 0.000 0.554 291 T N -0.750 113.569 114.554 -0.393 0.000 3.278 291 T HA 0.388 4.738 4.350 0.001 0.000 0.251 291 T C 1.652 176.265 174.700 -0.146 0.000 1.039 291 T CA 1.231 63.184 62.100 -0.246 0.000 0.935 291 T CB 0.482 69.183 68.868 -0.279 0.000 1.034 291 T HN 0.780 nan 8.240 nan 0.000 0.575 292 K N 0.372 120.677 120.400 -0.157 0.000 2.044 292 K HA -0.195 4.126 4.320 0.001 0.000 0.210 292 K C 1.089 177.354 176.600 -0.558 0.000 1.049 292 K CA 1.800 57.854 56.287 -0.387 0.000 0.927 292 K CB -0.200 31.965 32.500 -0.558 0.000 0.713 292 K HN 0.540 nan 8.250 nan 0.000 0.443 293 Y N -0.139 120.091 120.300 -0.117 0.000 2.389 293 Y HA -0.008 4.543 4.550 0.001 0.000 0.292 293 Y C 2.699 178.571 175.900 -0.046 0.000 1.117 293 Y CA 0.826 58.848 58.100 -0.130 0.000 1.195 293 Y CB -0.179 38.149 38.460 -0.220 0.000 1.076 293 Y HN 0.188 nan 8.280 nan 0.000 0.548 294 S N -0.384 115.391 115.700 0.125 0.000 2.423 294 S HA -0.164 4.306 4.470 0.001 0.000 0.231 294 S C 1.429 176.060 174.600 0.052 0.000 1.014 294 S CA 1.394 59.660 58.200 0.109 0.000 0.965 294 S CB -0.346 62.923 63.200 0.116 0.000 0.785 294 S HN 0.320 nan 8.310 nan 0.000 0.495 295 D N 2.463 122.861 120.400 -0.004 0.000 2.075 295 D HA -0.071 4.570 4.640 0.001 0.000 0.196 295 D C 2.546 178.842 176.300 -0.008 0.000 0.985 295 D CA 1.987 55.978 54.000 -0.015 0.000 0.834 295 D CB -0.617 40.154 40.800 -0.048 0.000 0.987 295 D HN 0.639 nan 8.370 nan 0.000 0.452 296 S N 0.128 115.810 115.700 -0.029 0.000 2.399 296 S HA -0.096 4.375 4.470 0.001 0.000 0.231 296 S C 1.935 176.540 174.600 0.009 0.000 1.022 296 S CA 0.838 59.027 58.200 -0.018 0.000 0.983 296 S CB -0.279 62.897 63.200 -0.040 0.000 0.803 296 S HN 0.212 nan 8.310 nan 0.000 0.480 297 M N 0.432 120.050 119.600 0.029 0.000 2.371 297 M HA 0.317 4.797 4.480 0.001 0.000 0.246 297 M C -0.359 175.970 176.300 0.049 0.000 1.103 297 M CA -0.032 55.291 55.300 0.039 0.000 1.010 297 M CB -0.059 32.573 32.600 0.054 0.000 1.457 297 M HN 0.060 nan 8.290 nan 0.000 0.486 298 K N 1.065 121.496 120.400 0.052 0.000 3.393 298 K HA -0.150 4.171 4.320 0.001 0.000 0.272 298 K C -0.449 176.204 176.600 0.089 0.000 1.004 298 K CA 0.300 56.621 56.287 0.057 0.000 0.764 298 K CB -1.585 30.936 32.500 0.035 0.000 1.373 298 K HN 0.469 nan 8.250 nan 0.000 0.458 299 A N 2.054 124.955 122.820 0.136 0.000 2.690 299 A HA 0.378 4.699 4.320 0.001 0.000 0.342 299 A C -0.240 177.494 177.584 0.251 0.000 1.410 299 A CA -0.684 51.489 52.037 0.227 0.000 0.958 299 A CB 0.227 19.414 19.000 0.311 0.000 1.153 299 A HN 0.322 nan 8.150 nan 0.000 0.497 300 N N 0.431 119.250 118.700 0.199 0.000 2.384 300 N HA 0.643 5.384 4.740 0.001 0.000 0.301 300 N C -0.515 175.114 175.510 0.197 0.000 1.133 300 N CA -0.339 52.820 53.050 0.182 0.000 0.853 300 N CB 2.316 40.871 38.487 0.114 0.000 1.241 300 N HN 0.581 nan 8.380 nan 0.000 0.502 301 V N -2.410 117.627 119.914 0.206 0.000 2.962 301 V HA 0.701 4.821 4.120 0.001 0.000 0.313 301 V C 0.261 176.450 176.094 0.159 0.000 1.099 301 V CA -1.027 61.385 62.300 0.187 0.000 0.971 301 V CB 1.260 33.238 31.823 0.258 0.000 1.028 301 V HN 0.740 nan 8.190 nan 0.000 0.430 302 T N 1.292 115.934 114.554 0.146 0.000 2.870 302 T HA 0.607 4.958 4.350 0.001 0.000 0.300 302 T C 0.610 175.384 174.700 0.124 0.000 0.989 302 T CA 0.372 62.541 62.100 0.116 0.000 1.139 302 T CB 0.475 69.406 68.868 0.106 0.000 0.920 302 T HN 1.676 nan 8.240 nan 0.000 0.537 303 G N 3.231 112.028 108.800 -0.005 0.000 2.580 303 G HA2 0.471 4.432 3.960 0.001 0.000 0.278 303 G HA3 0.471 4.432 3.960 0.001 0.000 0.278 303 G C -1.562 173.012 174.900 -0.543 0.000 1.212 303 G CA -1.902 43.086 45.100 -0.187 0.000 0.939 303 G HN 0.531 nan 8.290 nan 0.000 0.513 304 P HA -0.050 nan 4.420 nan 0.000 0.227 304 P C 0.686 177.777 177.300 -0.349 0.000 1.145 304 P CA 1.355 63.917 63.100 -0.898 0.000 0.769 304 P CB 0.235 31.599 31.700 -0.560 0.000 0.769 305 D N -3.604 116.655 120.400 -0.236 0.000 2.469 305 D HA 0.144 4.785 4.640 0.001 0.000 0.213 305 D C 1.334 177.592 176.300 -0.071 0.000 1.135 305 D CA 0.399 54.330 54.000 -0.115 0.000 0.834 305 D CB -0.263 40.487 40.800 -0.085 0.000 1.009 305 D HN 0.171 nan 8.370 nan 0.000 0.507 306 G N 1.091 109.847 108.800 -0.074 0.000 2.175 306 G HA2 -0.262 3.699 3.960 0.001 0.000 0.244 306 G HA3 -0.262 3.699 3.960 0.001 0.000 0.244 306 G C 0.459 175.356 174.900 -0.006 0.000 0.982 306 G CA 0.461 45.547 45.100 -0.022 0.000 0.641 306 G HN 0.733 nan 8.290 nan 0.000 0.527 307 T N -0.454 114.092 114.554 -0.013 0.000 2.845 307 T HA 0.566 4.917 4.350 0.001 0.000 0.288 307 T C -0.368 174.346 174.700 0.023 0.000 0.980 307 T CA -0.276 61.827 62.100 0.006 0.000 1.071 307 T CB 2.103 70.974 68.868 0.004 0.000 0.941 307 T HN 0.061 nan 8.240 nan 0.000 0.487 308 D N 1.671 122.094 120.400 0.038 0.000 2.389 308 D HA 0.558 5.199 4.640 0.001 0.000 0.247 308 D C -0.153 176.186 176.300 0.065 0.000 1.128 308 D CA 0.274 54.309 54.000 0.059 0.000 0.884 308 D CB 0.838 41.671 40.800 0.056 0.000 1.194 308 D HN 0.960 nan 8.370 nan 0.000 0.441 309 A N 2.507 125.382 122.820 0.092 0.000 2.549 309 A HA 0.665 4.986 4.320 0.001 0.000 0.297 309 A C -2.791 174.876 177.584 0.139 0.000 1.061 309 A CA -1.509 50.590 52.037 0.105 0.000 0.690 309 A CB 1.450 20.515 19.000 0.107 0.000 1.287 309 A HN 0.333 nan 8.150 nan 0.000 0.402 310 P HA 0.373 nan 4.420 nan 0.000 0.271 310 P C -0.082 177.323 177.300 0.175 0.000 1.216 310 P CA -0.012 63.162 63.100 0.124 0.000 0.776 310 P CB 0.084 31.816 31.700 0.054 0.000 0.881 311 I N -0.180 120.511 120.570 0.201 0.000 3.060 311 I HA 0.205 4.375 4.170 0.001 0.000 0.285 311 I C 0.343 176.557 176.117 0.161 0.000 1.190 311 I CA 0.109 61.554 61.300 0.242 0.000 1.363 311 I CB -0.131 37.995 38.000 0.211 0.000 1.396 311 I HN 0.314 nan 8.210 nan 0.000 0.607 312 H N 2.380 121.500 119.070 0.082 0.000 2.476 312 H HA 0.589 5.146 4.556 0.001 0.000 0.328 312 H C -0.027 175.257 175.328 -0.074 0.000 1.073 312 H CA -0.482 55.592 56.048 0.045 0.000 1.229 312 H CB 1.631 31.489 29.762 0.160 0.000 1.432 312 H HN 0.959 nan 8.280 nan 0.000 0.477 313 G N 1.150 109.807 108.800 -0.239 0.000 2.568 313 G HA2 0.585 4.546 3.960 0.001 0.000 0.313 313 G HA3 0.585 4.546 3.960 0.001 0.000 0.313 313 G C -0.629 173.520 174.900 -1.252 0.000 1.227 313 G CA -0.696 44.023 45.100 -0.634 0.000 0.979 313 G HN 0.674 nan 8.290 nan 0.000 0.486 314 G N -0.978 107.175 108.800 -1.079 0.000 2.672 314 G HA2 0.688 4.648 3.960 0.001 0.000 0.292 314 G HA3 0.688 4.648 3.960 0.001 0.000 0.292 314 G C -0.685 173.684 174.900 -0.886 0.000 1.375 314 G CA -0.002 44.492 45.100 -1.010 0.000 0.890 314 G HN 1.371 nan 8.290 nan 0.000 0.476 315 S N -0.831 114.419 115.700 -0.751 0.000 2.542 315 S HA 0.793 5.263 4.470 0.001 0.000 0.293 315 S C -1.691 172.356 174.600 -0.921 0.000 1.089 315 S CA -0.827 56.985 58.200 -0.648 0.000 0.961 315 S CB 1.717 64.962 63.200 0.075 0.000 1.062 315 S HN 0.619 nan 8.310 nan 0.000 0.483 316 Y N 0.181 120.409 120.300 -0.120 0.000 2.322 316 Y HA 0.685 5.235 4.550 0.001 0.000 0.324 316 Y C 0.443 176.374 175.900 0.051 0.000 1.027 316 Y CA -0.808 57.258 58.100 -0.058 0.000 1.179 316 Y CB 2.009 40.328 38.460 -0.235 0.000 1.136 316 Y HN 1.080 nan 8.280 nan 0.000 0.449 317 G N 1.602 110.569 108.800 0.278 0.000 2.461 317 G HA2 0.637 4.597 3.960 0.001 0.000 0.323 317 G HA3 0.637 4.597 3.960 0.001 0.000 0.323 317 G C -1.688 173.317 174.900 0.176 0.000 1.229 317 G CA -0.899 44.325 45.100 0.206 0.000 0.941 317 G HN 0.402 nan 8.290 nan 0.000 0.477 318 V N 1.205 121.144 119.914 0.042 0.000 2.487 318 V HA 0.653 4.773 4.120 0.001 0.000 0.298 318 V C 0.725 176.823 176.094 0.006 0.000 1.028 318 V CA -0.623 61.638 62.300 -0.064 0.000 0.860 318 V CB 1.912 33.575 31.823 -0.267 0.000 0.991 318 V HN 0.943 nan 8.190 nan 0.000 0.427 319 G N 3.203 112.023 108.800 0.033 0.000 2.639 319 G HA2 0.383 4.343 3.960 0.001 0.000 0.312 319 G HA3 0.383 4.343 3.960 0.001 0.000 0.312 319 G C 0.794 175.706 174.900 0.020 0.000 0.911 319 G CA -0.158 44.976 45.100 0.057 0.000 1.410 319 G HN 0.563 nan 8.290 nan 0.000 0.469 320 V N 2.632 122.525 119.914 -0.036 0.000 2.295 320 V HA -0.217 3.903 4.120 0.001 0.000 0.246 320 V C 3.054 179.101 176.094 -0.078 0.000 1.049 320 V CA 2.600 64.842 62.300 -0.097 0.000 1.024 320 V CB -0.349 31.354 31.823 -0.201 0.000 0.648 320 V HN 0.795 nan 8.190 nan 0.000 0.447 321 S N 0.686 116.351 115.700 -0.058 0.000 2.387 321 S HA -0.233 4.238 4.470 0.001 0.000 0.226 321 S C 2.058 176.795 174.600 0.229 0.000 1.026 321 S CA 1.326 59.574 58.200 0.080 0.000 0.972 321 S CB -0.522 62.829 63.200 0.252 0.000 0.814 321 S HN 0.527 nan 8.310 nan 0.000 0.477 322 R N 1.147 121.744 120.500 0.162 0.000 2.127 322 R HA 0.074 4.415 4.340 0.001 0.000 0.238 322 R C 2.211 178.559 176.300 0.081 0.000 1.134 322 R CA 1.243 57.406 56.100 0.104 0.000 0.975 322 R CB -0.687 29.635 30.300 0.038 0.000 0.865 322 R HN 0.473 nan 8.270 nan 0.000 0.447 323 L N 0.210 121.475 121.223 0.070 0.000 2.127 323 L HA -0.213 4.127 4.340 0.001 0.000 0.211 323 L C 2.079 179.028 176.870 0.132 0.000 1.089 323 L CA 0.904 55.787 54.840 0.072 0.000 0.757 323 L CB -0.317 41.781 42.059 0.066 0.000 0.899 323 L HN 0.241 nan 8.230 nan 0.000 0.434 324 L N -0.478 120.852 121.223 0.178 0.000 2.042 324 L HA -0.183 4.158 4.340 0.001 0.000 0.210 324 L C 2.563 179.581 176.870 0.247 0.000 1.076 324 L CA 2.029 57.041 54.840 0.286 0.000 0.749 324 L CB -1.201 41.076 42.059 0.364 0.000 0.893 324 L HN 0.245 nan 8.230 nan 0.000 0.432 325 G N -1.437 107.457 108.800 0.156 0.000 2.404 325 G HA2 -0.178 3.783 3.960 0.001 0.000 0.215 325 G HA3 -0.178 3.783 3.960 0.001 0.000 0.215 325 G C 1.724 176.647 174.900 0.038 0.000 1.174 325 G CA 0.708 45.854 45.100 0.076 0.000 0.780 325 G HN 0.480 nan 8.290 nan 0.000 0.537 326 A N 0.820 123.660 122.820 0.034 0.000 1.877 326 A HA 0.025 4.346 4.320 0.001 0.000 0.216 326 A C 2.405 180.005 177.584 0.026 0.000 1.186 326 A CA 1.361 53.399 52.037 0.002 0.000 0.620 326 A CB -0.397 18.587 19.000 -0.026 0.000 0.822 326 A HN 0.370 nan 8.150 nan 0.000 0.443 327 I N -0.309 120.309 120.570 0.081 0.000 2.163 327 I HA -0.283 3.888 4.170 0.001 0.000 0.243 327 I C 2.323 178.461 176.117 0.034 0.000 1.085 327 I CA 1.515 62.881 61.300 0.110 0.000 1.347 327 I CB -0.358 37.799 38.000 0.261 0.000 1.044 327 I HN 0.308 nan 8.210 nan 0.000 0.408 328 I N 0.268 120.831 120.570 -0.012 0.000 2.226 328 I HA -0.263 3.908 4.170 0.001 0.000 0.245 328 I C 2.559 178.683 176.117 0.012 0.000 1.100 328 I CA 1.182 62.407 61.300 -0.125 0.000 1.374 328 I CB -0.510 37.389 38.000 -0.168 0.000 1.057 328 I HN 0.229 nan 8.210 nan 0.000 0.413 329 E N 0.969 121.173 120.200 0.006 0.000 2.097 329 E HA -0.254 4.097 4.350 0.001 0.000 0.196 329 E C 2.225 178.918 176.600 0.155 0.000 1.000 329 E CA 1.774 58.204 56.400 0.050 0.000 0.804 329 E CB -0.303 29.388 29.700 -0.015 0.000 0.740 329 E HN 0.564 nan 8.360 nan 0.000 0.454 330 A N -0.493 122.366 122.820 0.065 0.000 2.132 330 A HA 0.011 4.332 4.320 0.001 0.000 0.213 330 A C 1.093 178.661 177.584 -0.027 0.000 1.154 330 A CA 0.268 52.314 52.037 0.014 0.000 0.753 330 A CB 0.321 19.323 19.000 0.004 0.000 0.826 330 A HN 0.243 nan 8.150 nan 0.000 0.469 331 C N 1.662 120.959 119.300 -0.005 0.000 3.287 331 C HA 0.608 5.069 4.460 0.001 0.000 0.260 331 C C -0.599 174.344 174.990 -0.078 0.000 1.133 331 C CA -0.762 58.208 59.018 -0.079 0.000 1.402 331 C CB -1.012 26.688 27.740 -0.067 0.000 1.832 331 C HN 0.671 nan 8.230 nan 0.000 0.509 332 H N -0.049 118.933 119.070 -0.146 0.000 2.981 332 H HA 0.799 5.356 4.556 0.001 0.000 0.327 332 H C -1.839 173.426 175.328 -0.105 0.000 1.342 332 H CA -0.493 55.464 56.048 -0.153 0.000 1.123 332 H CB 1.561 31.232 29.762 -0.152 0.000 1.851 332 H HN 0.401 nan 8.280 nan 0.000 0.531 333 D N -0.728 119.659 120.400 -0.020 0.000 2.867 333 D HA 0.115 4.755 4.640 0.001 0.000 0.308 333 D C 0.079 176.420 176.300 0.068 0.000 1.202 333 D CA -0.520 53.454 54.000 -0.044 0.000 1.035 333 D CB 0.294 41.048 40.800 -0.076 0.000 1.427 333 D HN 0.362 nan 8.370 nan 0.000 0.570 334 D N -0.941 119.476 120.400 0.027 0.000 2.350 334 D HA -0.048 4.593 4.640 0.001 0.000 0.216 334 D C 0.534 176.845 176.300 0.018 0.000 0.968 334 D CA 0.796 54.814 54.000 0.030 0.000 0.894 334 D CB -0.256 40.552 40.800 0.012 0.000 0.909 334 D HN 0.397 nan 8.370 nan 0.000 0.520 335 N N -0.297 118.409 118.700 0.011 0.000 2.353 335 N HA 0.250 4.991 4.740 0.001 0.000 0.185 335 N C 0.963 176.479 175.510 0.010 0.000 1.098 335 N CA 0.302 53.359 53.050 0.011 0.000 0.872 335 N CB 1.207 39.700 38.487 0.010 0.000 0.970 335 N HN 0.125 nan 8.380 nan 0.000 0.467 336 G N 0.324 109.127 108.800 0.004 0.000 2.260 336 G HA2 -0.041 3.919 3.960 0.001 0.000 0.250 336 G HA3 -0.041 3.919 3.960 0.001 0.000 0.250 336 G C -1.232 173.638 174.900 -0.049 0.000 1.340 336 G CA -1.005 44.084 45.100 -0.018 0.000 1.056 336 G HN 0.002 nan 8.290 nan 0.000 0.471 337 I N 1.012 121.501 120.570 -0.135 0.000 2.638 337 I HA 0.438 4.609 4.170 0.001 0.000 0.286 337 I C 0.162 176.099 176.117 -0.300 0.000 1.088 337 I CA -0.107 61.001 61.300 -0.321 0.000 1.397 337 I CB 0.907 38.522 38.000 -0.641 0.000 1.414 337 I HN 0.308 nan 8.210 nan 0.000 0.566 338 I N 4.367 124.737 120.570 -0.335 0.000 2.537 338 I HA 0.193 4.364 4.170 0.001 0.000 0.276 338 I C -0.981 175.034 176.117 -0.169 0.000 1.063 338 I CA -0.355 60.824 61.300 -0.202 0.000 1.144 338 I CB 0.480 38.404 38.000 -0.126 0.000 1.252 338 I HN 0.498 nan 8.210 nan 0.000 0.480 339 W N 7.114 128.431 121.300 0.028 0.000 2.303 339 W HA 0.247 4.908 4.660 0.001 0.000 0.318 339 W C -1.979 174.550 176.519 0.016 0.000 1.362 339 W CA -1.568 55.798 57.345 0.035 0.000 1.234 339 W CB 0.182 29.675 29.460 0.056 0.000 1.248 339 W HN 0.189 nan 8.180 nan 0.000 0.546 340 P HA -0.087 nan 4.420 nan 0.000 0.266 340 P C 0.589 178.002 177.300 0.188 0.000 1.195 340 P CA 0.319 63.533 63.100 0.190 0.000 0.768 340 P CB 0.736 32.536 31.700 0.166 0.000 0.838 341 E N 2.259 122.542 120.200 0.138 0.000 2.097 341 E HA -0.267 4.084 4.350 0.001 0.000 0.196 341 E C 1.842 178.496 176.600 0.089 0.000 1.000 341 E CA 1.637 58.118 56.400 0.136 0.000 0.804 341 E CB -0.264 29.528 29.700 0.154 0.000 0.740 341 E HN 0.534 nan 8.360 nan 0.000 0.454 342 A N 0.467 123.327 122.820 0.067 0.000 2.067 342 A HA -0.118 4.203 4.320 0.001 0.000 0.219 342 A C 2.204 179.774 177.584 -0.022 0.000 1.158 342 A CA 1.509 53.560 52.037 0.023 0.000 0.661 342 A CB -0.185 18.827 19.000 0.019 0.000 0.801 342 A HN 0.267 nan 8.150 nan 0.000 0.452 343 V N -4.531 115.373 119.914 -0.017 0.000 3.605 343 V HA 0.638 4.759 4.120 0.001 0.000 0.284 343 V C 0.968 176.867 176.094 -0.324 0.000 1.386 343 V CA -0.009 62.215 62.300 -0.127 0.000 1.053 343 V CB -0.964 30.824 31.823 -0.059 0.000 0.857 343 V HN 0.537 nan 8.190 nan 0.000 0.436 344 A N 2.677 125.375 122.820 -0.203 0.000 2.498 344 A HA 0.462 4.782 4.320 0.001 0.000 0.239 344 A C -0.460 176.908 177.584 -0.360 0.000 1.068 344 A CA -0.187 51.655 52.037 -0.325 0.000 0.766 344 A CB -0.145 18.890 19.000 0.059 0.000 1.003 344 A HN 0.423 nan 8.150 nan 0.000 0.497 345 P HA -0.009 nan 4.420 nan 0.000 0.219 345 P C -0.143 176.810 177.300 -0.577 0.000 1.150 345 P CA 1.251 64.105 63.100 -0.409 0.000 0.814 345 P CB 0.055 31.633 31.700 -0.204 0.000 0.787 346 F N -2.154 117.792 119.950 -0.008 0.000 2.599 346 F HA 0.465 4.992 4.527 0.001 0.000 0.311 346 F C 1.700 177.557 175.800 0.096 0.000 1.076 346 F CA -0.964 57.061 58.000 0.042 0.000 0.937 346 F CB 1.594 40.630 39.000 0.060 0.000 1.282 346 F HN -0.431 nan 8.300 nan 0.000 0.460 347 R N 0.552 121.231 120.500 0.299 0.000 2.100 347 R HA 0.286 4.627 4.340 0.001 0.000 0.220 347 R C -0.670 175.855 176.300 0.375 0.000 1.091 347 R CA 0.826 57.104 56.100 0.297 0.000 0.986 347 R CB 0.442 30.880 30.300 0.230 0.000 0.888 347 R HN 0.435 nan 8.270 nan 0.000 0.444 348 V N -0.107 119.997 119.914 0.318 0.000 2.789 348 V HA 0.393 4.514 4.120 0.001 0.000 0.311 348 V C -1.391 174.836 176.094 0.222 0.000 1.073 348 V CA -0.589 61.886 62.300 0.292 0.000 0.921 348 V CB 2.125 34.069 31.823 0.201 0.000 1.009 348 V HN 0.169 nan 8.190 nan 0.000 0.426 349 T N 6.926 121.605 114.554 0.209 0.000 2.807 349 T HA 0.627 4.978 4.350 0.001 0.000 0.279 349 T C -0.642 174.162 174.700 0.172 0.000 0.993 349 T CA -0.370 61.818 62.100 0.147 0.000 0.970 349 T CB 0.603 69.549 68.868 0.131 0.000 0.950 349 T HN 0.544 nan 8.240 nan 0.000 0.441 350 I N 5.887 126.548 120.570 0.152 0.000 2.325 350 I HA 0.356 4.527 4.170 0.001 0.000 0.291 350 I C -0.292 175.952 176.117 0.212 0.000 1.019 350 I CA -0.584 60.800 61.300 0.140 0.000 1.302 350 I CB 1.061 39.052 38.000 -0.015 0.000 1.401 350 I HN 0.416 nan 8.210 nan 0.000 0.485 351 L N 6.539 127.892 121.223 0.216 0.000 2.294 351 L HA 0.380 4.720 4.340 0.001 0.000 0.283 351 L C -0.029 176.923 176.870 0.138 0.000 1.015 351 L CA -0.533 54.413 54.840 0.176 0.000 0.831 351 L CB 0.890 43.056 42.059 0.179 0.000 1.217 351 L HN 0.555 nan 8.230 nan 0.000 0.420 352 N N 4.202 122.991 118.700 0.148 0.000 2.406 352 N HA 0.208 4.949 4.740 0.001 0.000 0.251 352 N C 0.446 175.967 175.510 0.018 0.000 1.069 352 N CA -0.182 52.940 53.050 0.121 0.000 0.947 352 N CB 1.281 39.906 38.487 0.230 0.000 1.111 352 N HN 0.629 nan 8.380 nan 0.000 0.497 353 L N 2.145 123.367 121.223 -0.000 0.000 2.591 353 L HA 0.155 4.496 4.340 0.001 0.000 0.228 353 L C 0.643 177.489 176.870 -0.040 0.000 1.133 353 L CA 0.380 55.184 54.840 -0.061 0.000 0.880 353 L CB -0.064 41.970 42.059 -0.041 0.000 1.033 353 L HN 0.401 nan 8.230 nan 0.000 0.450 354 K N 0.610 121.005 120.400 -0.009 0.000 2.950 354 K HA 0.165 4.486 4.320 0.001 0.000 0.199 354 K C -0.464 176.137 176.600 0.003 0.000 1.144 354 K CA -0.401 55.882 56.287 -0.008 0.000 0.983 354 K CB 0.661 33.162 32.500 0.002 0.000 1.187 354 K HN -0.212 nan 8.250 nan 0.000 0.595 355 Q N 0.768 120.563 119.800 -0.009 0.000 2.274 355 Q HA 0.234 4.574 4.340 0.001 0.000 0.280 355 Q C 1.039 177.038 176.000 -0.003 0.000 1.047 355 Q CA 2.359 58.160 55.803 -0.004 0.000 0.907 355 Q CB 0.749 29.468 28.738 -0.033 0.000 1.171 355 Q HN 0.779 nan 8.270 nan 0.000 0.381 356 G N 3.385 112.190 108.800 0.009 0.000 2.232 356 G HA2 -0.285 3.675 3.960 0.001 0.000 0.226 356 G HA3 -0.285 3.675 3.960 0.001 0.000 0.226 356 G C -0.098 174.809 174.900 0.012 0.000 0.996 356 G CA -0.053 45.051 45.100 0.008 0.000 0.626 356 G HN 0.721 nan 8.290 nan 0.000 0.509 357 D N 0.901 121.309 120.400 0.015 0.000 2.425 357 D HA 0.637 5.278 4.640 0.001 0.000 0.247 357 D C 1.599 177.912 176.300 0.021 0.000 1.147 357 D CA 0.967 54.976 54.000 0.016 0.000 0.879 357 D CB 0.981 41.790 40.800 0.015 0.000 1.179 357 D HN 0.538 nan 8.370 nan 0.000 0.456 358 A N 3.921 126.751 122.820 0.018 0.000 1.902 358 A HA -0.015 4.306 4.320 0.001 0.000 0.217 358 A C 2.100 179.696 177.584 0.020 0.000 1.181 358 A CA 1.779 53.827 52.037 0.019 0.000 0.623 358 A CB -0.897 18.112 19.000 0.015 0.000 0.818 358 A HN 0.685 nan 8.150 nan 0.000 0.443 359 A N -0.317 122.514 122.820 0.017 0.000 1.872 359 A HA -0.056 4.264 4.320 0.001 0.000 0.214 359 A C 2.481 180.075 177.584 0.016 0.000 1.187 359 A CA 2.455 54.501 52.037 0.015 0.000 0.614 359 A CB -1.380 17.628 19.000 0.013 0.000 0.826 359 A HN 0.754 nan 8.150 nan 0.000 0.442 360 T N -1.844 112.723 114.554 0.022 0.000 2.746 360 T HA -0.171 4.180 4.350 0.001 0.000 0.267 360 T C 1.393 176.111 174.700 0.030 0.000 1.039 360 T CA 1.748 63.863 62.100 0.025 0.000 1.142 360 T CB -0.616 68.272 68.868 0.033 0.000 0.866 360 T HN 0.319 nan 8.240 nan 0.000 0.444 361 D N 2.243 122.672 120.400 0.047 0.000 2.106 361 D HA -0.009 4.632 4.640 0.001 0.000 0.191 361 D C 2.522 178.846 176.300 0.040 0.000 0.997 361 D CA 1.756 55.799 54.000 0.072 0.000 0.834 361 D CB -0.843 39.998 40.800 0.069 0.000 0.956 361 D HN 0.587 nan 8.370 nan 0.000 0.448 362 A N 0.622 123.456 122.820 0.024 0.000 1.933 362 A HA -0.052 4.269 4.320 0.001 0.000 0.218 362 A C 2.261 179.839 177.584 -0.010 0.000 1.175 362 A CA 2.319 54.363 52.037 0.012 0.000 0.628 362 A CB -0.788 18.219 19.000 0.012 0.000 0.814 362 A HN 0.248 nan 8.150 nan 0.000 0.444 363 A N -0.985 121.824 122.820 -0.018 0.000 1.873 363 A HA -0.145 4.175 4.320 0.001 0.000 0.215 363 A C 2.319 179.856 177.584 -0.079 0.000 1.186 363 A CA 1.636 53.654 52.037 -0.033 0.000 0.616 363 A CB -1.253 17.736 19.000 -0.019 0.000 0.823 363 A HN 0.600 nan 8.150 nan 0.000 0.442 364 C N -0.380 118.840 119.300 -0.133 0.000 2.429 364 C HA -0.086 4.375 4.460 0.001 0.000 0.277 364 C C 2.379 177.145 174.990 -0.373 0.000 1.262 364 C CA 0.960 59.769 59.018 -0.348 0.000 1.733 364 C CB -1.185 26.222 27.740 -0.555 0.000 2.010 364 C HN 0.588 nan 8.230 nan 0.000 0.483 365 D N 0.100 120.391 120.400 -0.182 0.000 2.123 365 D HA -0.187 4.454 4.640 0.001 0.000 0.196 365 D C 2.165 178.474 176.300 0.016 0.000 0.992 365 D CA 1.368 55.356 54.000 -0.020 0.000 0.833 365 D CB -0.573 40.258 40.800 0.052 0.000 0.954 365 D HN 0.652 nan 8.370 nan 0.000 0.455 366 Q N 0.110 119.896 119.800 -0.022 0.000 2.079 366 Q HA -0.091 4.249 4.340 0.001 0.000 0.200 366 Q C 2.466 178.446 176.000 -0.033 0.000 0.974 366 Q CA 0.674 56.464 55.803 -0.022 0.000 0.840 366 Q CB -0.074 28.650 28.738 -0.024 0.000 0.898 366 Q HN 0.255 nan 8.270 nan 0.000 0.430 367 L N -0.145 121.048 121.223 -0.048 0.000 2.012 367 L HA -0.222 4.119 4.340 0.001 0.000 0.210 367 L C 2.515 179.375 176.870 -0.017 0.000 1.073 367 L CA 1.625 56.437 54.840 -0.046 0.000 0.748 367 L CB -0.720 41.301 42.059 -0.062 0.000 0.891 367 L HN 0.367 nan 8.230 nan 0.000 0.431 368 Y N 1.045 121.245 120.300 -0.167 0.000 2.097 368 Y HA -0.275 4.276 4.550 0.001 0.000 0.282 368 Y C 2.784 178.629 175.900 -0.091 0.000 1.152 368 Y CA 1.557 59.582 58.100 -0.125 0.000 1.136 368 Y CB -0.271 38.094 38.460 -0.158 0.000 0.975 368 Y HN -0.009 nan 8.280 nan 0.000 0.498 369 R N 0.127 120.543 120.500 -0.141 0.000 2.083 369 R HA -0.180 4.161 4.340 0.001 0.000 0.237 369 R C 2.239 178.428 176.300 -0.184 0.000 1.137 369 R CA 1.958 57.925 56.100 -0.222 0.000 0.951 369 R CB -0.444 29.797 30.300 -0.098 0.000 0.851 369 R HN 0.484 nan 8.270 nan 0.000 0.434 370 E N 0.680 120.813 120.200 -0.112 0.000 2.077 370 E HA -0.165 4.186 4.350 0.001 0.000 0.193 370 E C 2.126 178.670 176.600 -0.093 0.000 0.989 370 E CA 0.969 57.316 56.400 -0.089 0.000 0.800 370 E CB -0.081 29.581 29.700 -0.062 0.000 0.746 370 E HN 0.251 nan 8.360 nan 0.000 0.452 371 L N 0.949 122.116 121.223 -0.092 0.000 2.017 371 L HA -0.221 4.119 4.340 0.001 0.000 0.208 371 L C 2.694 179.512 176.870 -0.087 0.000 1.073 371 L CA 1.499 56.295 54.840 -0.073 0.000 0.745 371 L CB -0.504 41.533 42.059 -0.036 0.000 0.894 371 L HN 0.186 nan 8.230 nan 0.000 0.432 372 S N 0.092 115.693 115.700 -0.166 0.000 2.348 372 S HA -0.191 4.280 4.470 0.001 0.000 0.221 372 S C 2.235 176.770 174.600 -0.109 0.000 1.033 372 S CA 0.806 58.914 58.200 -0.153 0.000 1.010 372 S CB -0.852 62.141 63.200 -0.344 0.000 0.891 372 S HN 0.370 nan 8.310 nan 0.000 0.442 373 A N 2.355 125.092 122.820 -0.138 0.000 2.009 373 A HA -0.193 4.127 4.320 0.001 0.000 0.222 373 A C 2.013 179.564 177.584 -0.055 0.000 1.175 373 A CA 1.872 53.856 52.037 -0.088 0.000 0.651 373 A CB -0.611 18.337 19.000 -0.087 0.000 0.815 373 A HN 0.615 nan 8.150 nan 0.000 0.459 374 K N -1.706 118.663 120.400 -0.053 0.000 2.446 374 K HA 0.304 4.625 4.320 0.001 0.000 0.203 374 K C 0.907 177.492 176.600 -0.026 0.000 1.027 374 K CA 0.424 56.688 56.287 -0.039 0.000 1.166 374 K CB -0.005 32.469 32.500 -0.044 0.000 0.869 374 K HN 0.703 nan 8.250 nan 0.000 0.504 375 G N 0.949 109.739 108.800 -0.017 0.000 2.176 375 G HA2 -0.233 3.727 3.960 0.001 0.000 0.253 375 G HA3 -0.233 3.727 3.960 0.001 0.000 0.253 375 G C 0.158 175.065 174.900 0.013 0.000 0.979 375 G CA -0.107 44.993 45.100 -0.000 0.000 0.641 375 G HN 0.144 nan 8.290 nan 0.000 0.530 376 V N 1.494 121.415 119.914 0.013 0.000 2.498 376 V HA 0.361 4.482 4.120 0.001 0.000 0.279 376 V C 0.164 176.310 176.094 0.086 0.000 1.048 376 V CA -0.743 61.579 62.300 0.037 0.000 0.967 376 V CB 1.479 33.313 31.823 0.018 0.000 0.988 376 V HN 0.232 nan 8.190 nan 0.000 0.473 377 D N 3.543 124.012 120.400 0.116 0.000 2.342 377 D HA 0.236 4.877 4.640 0.001 0.000 0.260 377 D C -0.317 176.192 176.300 0.348 0.000 1.278 377 D CA 0.499 54.621 54.000 0.204 0.000 0.910 377 D CB 1.332 42.197 40.800 0.108 0.000 1.079 377 D HN 0.321 nan 8.370 nan 0.000 0.496 378 V N 4.604 124.746 119.914 0.381 0.000 2.483 378 V HA 0.410 4.530 4.120 0.001 0.000 0.297 378 V C -1.233 174.952 176.094 0.152 0.000 1.027 378 V CA -0.895 61.570 62.300 0.275 0.000 0.855 378 V CB 1.745 33.680 31.823 0.187 0.000 0.995 378 V HN 0.308 nan 8.190 nan 0.000 0.424 379 L N 7.858 128.975 121.223 -0.177 0.000 2.295 379 L HA 0.575 4.915 4.340 0.001 0.000 0.285 379 L C -1.232 175.595 176.870 -0.073 0.000 1.035 379 L CA -0.270 54.255 54.840 -0.525 0.000 0.806 379 L CB 1.403 42.881 42.059 -0.968 0.000 1.214 379 L HN 0.739 nan 8.230 nan 0.000 0.426 380 Y N 4.543 124.677 120.300 -0.277 0.000 2.417 380 Y HA 0.340 4.891 4.550 0.001 0.000 0.336 380 Y C -0.501 175.258 175.900 -0.236 0.000 0.961 380 Y CA -1.680 56.245 58.100 -0.291 0.000 1.215 380 Y CB 0.605 38.671 38.460 -0.657 0.000 1.120 380 Y HN 0.693 nan 8.280 nan 0.000 0.499 381 D N 5.116 125.555 120.400 0.064 0.000 2.416 381 D HA 0.042 4.682 4.640 0.001 0.000 0.240 381 D C -0.005 176.131 176.300 -0.274 0.000 1.250 381 D CA 0.172 54.107 54.000 -0.108 0.000 0.967 381 D CB 0.157 40.950 40.800 -0.012 0.000 1.059 381 D HN 0.680 nan 8.370 nan 0.000 0.512 382 D N 1.257 121.269 120.400 -0.648 0.000 2.463 382 D HA -0.019 4.622 4.640 0.001 0.000 0.224 382 D C 0.316 176.415 176.300 -0.335 0.000 1.174 382 D CA -0.374 53.177 54.000 -0.749 0.000 0.829 382 D CB -0.466 39.556 40.800 -1.296 0.000 0.993 382 D HN 0.247 nan 8.370 nan 0.000 0.497 383 T N -2.249 112.175 114.554 -0.217 0.000 2.868 383 T HA 0.119 4.469 4.350 0.001 0.000 0.292 383 T C 0.277 174.917 174.700 -0.100 0.000 1.028 383 T CA -0.675 61.346 62.100 -0.131 0.000 1.059 383 T CB 1.520 70.332 68.868 -0.092 0.000 0.991 383 T HN -0.191 nan 8.240 nan 0.000 0.531 384 D N 1.813 122.168 120.400 -0.075 0.000 2.608 384 D HA 0.159 4.800 4.640 0.001 0.000 0.224 384 D C -0.182 176.084 176.300 -0.057 0.000 1.123 384 D CA 0.117 54.082 54.000 -0.058 0.000 1.030 384 D CB -0.386 40.387 40.800 -0.044 0.000 1.093 384 D HN 0.485 nan 8.370 nan 0.000 0.497 385 Q N 1.379 121.136 119.800 -0.071 0.000 2.423 385 Q HA 0.406 4.747 4.340 0.001 0.000 0.278 385 Q C 0.058 175.998 176.000 -0.099 0.000 1.097 385 Q CA -1.043 54.714 55.803 -0.077 0.000 0.809 385 Q CB 2.340 31.029 28.738 -0.082 0.000 1.391 385 Q HN 0.201 nan 8.270 nan 0.000 0.428 386 R N 0.238 120.678 120.500 -0.100 0.000 2.774 386 R HA 0.197 4.538 4.340 0.001 0.000 0.269 386 R C 0.893 177.061 176.300 -0.219 0.000 1.068 386 R CA 0.474 56.499 56.100 -0.124 0.000 1.180 386 R CB 0.157 30.402 30.300 -0.092 0.000 1.077 386 R HN 0.853 nan 8.270 nan 0.000 0.513 387 A N 1.768 124.419 122.820 -0.280 0.000 1.892 387 A HA -0.167 4.154 4.320 0.001 0.000 0.218 387 A C 2.216 179.301 177.584 -0.832 0.000 1.188 387 A CA 2.137 53.822 52.037 -0.587 0.000 0.631 387 A CB -1.174 17.538 19.000 -0.479 0.000 0.822 387 A HN 0.873 nan 8.150 nan 0.000 0.447 388 G N -0.891 107.687 108.800 -0.370 0.000 2.408 388 G HA2 0.058 4.019 3.960 0.001 0.000 0.217 388 G HA3 0.058 4.019 3.960 0.001 0.000 0.217 388 G C 1.725 176.566 174.900 -0.098 0.000 1.150 388 G CA 1.389 46.415 45.100 -0.124 0.000 0.776 388 G HN 0.812 nan 8.290 nan 0.000 0.542 389 A N 1.173 123.916 122.820 -0.128 0.000 1.865 389 A HA -0.071 4.249 4.320 0.001 0.000 0.217 389 A C 2.307 179.832 177.584 -0.099 0.000 1.191 389 A CA 2.015 53.999 52.037 -0.087 0.000 0.623 389 A CB -0.429 18.521 19.000 -0.085 0.000 0.826 389 A HN 0.349 nan 8.150 nan 0.000 0.444 390 K N -1.307 118.971 120.400 -0.203 0.000 2.063 390 K HA -0.150 4.171 4.320 0.001 0.000 0.208 390 K C 1.716 178.269 176.600 -0.078 0.000 1.048 390 K CA 1.618 57.794 56.287 -0.186 0.000 0.928 390 K CB -0.435 31.897 32.500 -0.280 0.000 0.713 390 K HN 0.485 nan 8.250 nan 0.000 0.442 391 F N 1.025 120.952 119.950 -0.039 0.000 2.134 391 F HA -0.143 4.385 4.527 0.001 0.000 0.299 391 F C 2.586 178.393 175.800 0.013 0.000 1.097 391 F CA 0.939 58.925 58.000 -0.023 0.000 1.264 391 F CB -1.177 37.793 39.000 -0.050 0.000 1.001 391 F HN 0.024 nan 8.300 nan 0.000 0.479 392 A N -0.550 122.381 122.820 0.184 0.000 1.898 392 A HA -0.147 4.174 4.320 0.001 0.000 0.216 392 A C 2.289 179.926 177.584 0.089 0.000 1.181 392 A CA 2.186 54.291 52.037 0.114 0.000 0.620 392 A CB -1.288 17.755 19.000 0.072 0.000 0.819 392 A HN 0.350 nan 8.150 nan 0.000 0.442 393 T N 0.172 114.771 114.554 0.074 0.000 2.777 393 T HA 0.017 4.368 4.350 0.001 0.000 0.266 393 T C 2.242 177.007 174.700 0.108 0.000 1.040 393 T CA 1.502 63.646 62.100 0.073 0.000 1.141 393 T CB -0.415 68.482 68.868 0.049 0.000 0.868 393 T HN 0.577 nan 8.240 nan 0.000 0.444 394 A N 1.820 124.719 122.820 0.131 0.000 1.902 394 A HA -0.155 4.165 4.320 0.001 0.000 0.217 394 A C 2.117 179.795 177.584 0.157 0.000 1.181 394 A CA 1.783 53.920 52.037 0.166 0.000 0.623 394 A CB -0.642 18.485 19.000 0.212 0.000 0.818 394 A HN 0.332 nan 8.150 nan 0.000 0.443 395 D N -0.503 119.980 120.400 0.138 0.000 2.097 395 D HA -0.120 4.520 4.640 0.001 0.000 0.195 395 D C 1.880 178.219 176.300 0.065 0.000 0.989 395 D CA 1.313 55.368 54.000 0.092 0.000 0.827 395 D CB -0.441 40.405 40.800 0.076 0.000 0.966 395 D HN 0.341 nan 8.370 nan 0.000 0.456 396 L N 1.349 122.614 121.223 0.070 0.000 2.012 396 L HA -0.121 4.219 4.340 0.001 0.000 0.210 396 L C 2.088 178.998 176.870 0.066 0.000 1.073 396 L CA 1.531 56.402 54.840 0.050 0.000 0.748 396 L CB -0.673 41.418 42.059 0.053 0.000 0.891 396 L HN 0.174 nan 8.230 nan 0.000 0.431 397 I N -3.554 117.097 120.570 0.135 0.000 3.111 397 I HA 0.290 4.460 4.170 0.001 0.000 0.272 397 I C 1.512 177.819 176.117 0.317 0.000 1.268 397 I CA 0.641 62.085 61.300 0.240 0.000 1.467 397 I CB -0.807 37.362 38.000 0.282 0.000 1.087 397 I HN 0.395 nan 8.210 nan 0.000 0.467 398 G N 2.089 110.993 108.800 0.173 0.000 2.136 398 G HA2 -0.196 3.765 3.960 0.001 0.000 0.242 398 G HA3 -0.196 3.765 3.960 0.001 0.000 0.242 398 G C 0.073 175.167 174.900 0.323 0.000 0.989 398 G CA -0.008 45.150 45.100 0.098 0.000 0.682 398 G HN 0.332 nan 8.290 nan 0.000 0.522 399 I N 0.598 121.368 120.570 0.333 0.000 2.741 399 I HA 0.068 4.238 4.170 0.001 0.000 0.288 399 I C -0.202 176.026 176.117 0.185 0.000 1.192 399 I CA -1.868 59.620 61.300 0.314 0.000 1.426 399 I CB 0.233 38.404 38.000 0.287 0.000 1.367 399 I HN -0.092 nan 8.210 nan 0.000 0.563 400 P HA -0.145 nan 4.420 nan 0.000 0.216 400 P C -0.564 176.493 177.300 -0.404 0.000 1.153 400 P CA 1.582 64.616 63.100 -0.109 0.000 0.858 400 P CB 0.175 31.877 31.700 0.002 0.000 0.789 401 W N -1.093 120.269 121.300 0.104 0.000 2.844 401 W HA 0.507 5.168 4.660 0.000 0.000 0.340 401 W C -0.333 176.235 176.519 0.082 0.000 1.093 401 W CA -0.564 56.822 57.345 0.068 0.000 1.212 401 W CB 1.350 30.842 29.460 0.053 0.000 1.422 401 W HN -0.315 nan 8.180 nan 0.000 0.515 402 Q N 2.455 122.428 119.800 0.289 0.000 2.356 402 Q HA 0.633 4.973 4.340 0.001 0.000 0.270 402 Q C -0.956 175.120 176.000 0.128 0.000 1.058 402 Q CA -0.929 55.009 55.803 0.226 0.000 0.802 402 Q CB 2.814 31.706 28.738 0.257 0.000 1.303 402 Q HN 0.391 nan 8.270 nan 0.000 0.444 403 I N 2.273 122.947 120.570 0.173 0.000 2.355 403 I HA 0.284 4.454 4.170 0.001 0.000 0.288 403 I C -0.578 175.695 176.117 0.260 0.000 0.999 403 I CA -0.542 60.827 61.300 0.115 0.000 1.163 403 I CB 0.992 39.042 38.000 0.083 0.000 1.316 403 I HN 0.523 nan 8.210 nan 0.000 0.454 404 H N 5.420 124.575 119.070 0.141 0.000 2.594 404 H HA 0.442 4.999 4.556 0.001 0.000 0.304 404 H C -0.777 174.618 175.328 0.111 0.000 1.068 404 H CA -0.910 55.241 56.048 0.171 0.000 1.308 404 H CB 1.508 31.404 29.762 0.224 0.000 1.409 404 H HN 0.242 nan 8.280 nan 0.000 0.460 405 V N 3.647 123.682 119.914 0.202 0.000 2.378 405 V HA 0.557 4.678 4.120 0.001 0.000 0.288 405 V C 0.473 176.620 176.094 0.089 0.000 1.016 405 V CA -0.630 61.737 62.300 0.112 0.000 0.840 405 V CB 1.447 33.304 31.823 0.058 0.000 0.994 405 V HN 0.965 nan 8.190 nan 0.000 0.431 406 G N 4.358 113.205 108.800 0.079 0.000 2.694 406 G HA2 0.641 4.602 3.960 0.001 0.000 0.290 406 G HA3 0.641 4.602 3.960 0.001 0.000 0.290 406 G C -2.576 172.351 174.900 0.045 0.000 1.386 406 G CA -1.289 43.846 45.100 0.057 0.000 0.872 406 G HN 0.437 nan 8.290 nan 0.000 0.475 407 P HA -0.099 nan 4.420 nan 0.000 0.215 407 P C 2.000 179.318 177.300 0.030 0.000 1.153 407 P CA 0.920 64.036 63.100 0.027 0.000 0.853 407 P CB 0.223 31.936 31.700 0.021 0.000 0.788 408 R N -0.744 119.777 120.500 0.035 0.000 2.097 408 R HA -0.122 4.218 4.340 0.001 0.000 0.236 408 R C 2.555 178.878 176.300 0.038 0.000 1.135 408 R CA 2.032 58.154 56.100 0.036 0.000 0.934 408 R CB -1.745 28.580 30.300 0.043 0.000 0.846 408 R HN 0.253 nan 8.270 nan 0.000 0.431 409 G N 0.824 109.653 108.800 0.049 0.000 2.422 409 G HA2 -0.202 3.759 3.960 0.001 0.000 0.218 409 G HA3 -0.202 3.759 3.960 0.001 0.000 0.218 409 G C 1.281 176.202 174.900 0.035 0.000 1.146 409 G CA 0.250 45.378 45.100 0.047 0.000 0.769 409 G HN 0.057 nan 8.290 nan 0.000 0.547 410 L N 1.212 122.455 121.223 0.033 0.000 2.156 410 L HA 0.243 4.584 4.340 0.001 0.000 0.208 410 L C 3.158 180.039 176.870 0.018 0.000 1.095 410 L CA 1.123 55.977 54.840 0.023 0.000 0.770 410 L CB -0.968 41.104 42.059 0.022 0.000 0.914 410 L HN 0.282 nan 8.230 nan 0.000 0.439 411 A N -0.684 122.148 122.820 0.019 0.000 2.032 411 A HA -0.218 4.103 4.320 0.001 0.000 0.221 411 A C 1.916 179.508 177.584 0.014 0.000 1.165 411 A CA 1.785 53.832 52.037 0.016 0.000 0.645 411 A CB -0.405 18.605 19.000 0.017 0.000 0.807 411 A HN 0.571 nan 8.150 nan 0.000 0.453 412 E N -1.782 118.427 120.200 0.016 0.000 2.501 412 E HA 0.348 4.699 4.350 0.001 0.000 0.200 412 E C 0.900 177.507 176.600 0.012 0.000 1.016 412 E CA 0.143 56.552 56.400 0.014 0.000 0.921 412 E CB 0.106 29.815 29.700 0.016 0.000 1.034 412 E HN 0.672 nan 8.360 nan 0.000 0.468 413 G N 2.202 111.009 108.800 0.012 0.000 2.168 413 G HA2 -0.330 3.631 3.960 0.001 0.000 0.257 413 G HA3 -0.330 3.631 3.960 0.001 0.000 0.257 413 G C 0.022 174.928 174.900 0.009 0.000 0.997 413 G CA 0.555 45.660 45.100 0.009 0.000 0.708 413 G HN 0.177 nan 8.290 nan 0.000 0.520 414 K N -0.606 119.804 120.400 0.016 0.000 2.208 414 K HA 0.770 5.090 4.320 0.001 0.000 0.247 414 K C 0.203 176.820 176.600 0.028 0.000 0.953 414 K CA -0.500 55.797 56.287 0.018 0.000 0.837 414 K CB 2.878 35.391 32.500 0.021 0.000 1.131 414 K HN 0.590 nan 8.250 nan 0.000 0.431 415 V N -2.220 117.710 119.914 0.027 0.000 3.102 415 V HA 0.485 4.606 4.120 0.001 0.000 0.312 415 V C -0.829 175.290 176.094 0.041 0.000 1.135 415 V CA -0.955 61.372 62.300 0.045 0.000 1.022 415 V CB 1.869 33.716 31.823 0.040 0.000 1.056 415 V HN 0.852 nan 8.190 nan 0.000 0.436 416 E N 1.491 121.728 120.200 0.062 0.000 2.156 416 E HA 0.530 4.881 4.350 0.001 0.000 0.279 416 E C -1.608 174.946 176.600 -0.078 0.000 0.965 416 E CA -0.824 55.582 56.400 0.010 0.000 0.789 416 E CB 1.801 31.530 29.700 0.048 0.000 1.098 416 E HN 0.756 nan 8.360 nan 0.000 0.397 417 L N 5.130 126.323 121.223 -0.050 0.000 2.272 417 L HA 0.396 4.737 4.340 0.001 0.000 0.289 417 L C -0.906 175.970 176.870 0.010 0.000 1.032 417 L CA -0.127 54.707 54.840 -0.010 0.000 0.810 417 L CB 0.987 43.069 42.059 0.038 0.000 1.205 417 L HN 0.402 nan 8.230 nan 0.000 0.422 418 K N 5.112 125.497 120.400 -0.024 0.000 2.323 418 K HA 0.454 4.775 4.320 0.001 0.000 0.259 418 K C -0.827 175.783 176.600 0.016 0.000 0.947 418 K CA -0.827 55.436 56.287 -0.040 0.000 0.819 418 K CB 1.212 33.590 32.500 -0.202 0.000 1.109 418 K HN 0.691 nan 8.250 nan 0.000 0.429 419 R N 3.294 123.712 120.500 -0.136 0.000 2.221 419 R HA 0.115 4.456 4.340 0.001 0.000 0.327 419 R C 0.905 177.002 176.300 -0.337 0.000 1.033 419 R CA -0.325 55.457 56.100 -0.531 0.000 0.887 419 R CB 0.782 30.688 30.300 -0.656 0.000 1.057 419 R HN 0.659 nan 8.270 nan 0.000 0.455 420 R N 2.358 122.653 120.500 -0.342 0.000 2.115 420 R HA -0.097 4.244 4.340 0.001 0.000 0.230 420 R C 1.552 177.751 176.300 -0.168 0.000 1.111 420 R CA 2.297 58.288 56.100 -0.182 0.000 0.976 420 R CB -0.124 30.106 30.300 -0.117 0.000 0.870 420 R HN 0.777 nan 8.270 nan 0.000 0.445 421 S N -0.015 115.557 115.700 -0.215 0.000 2.382 421 S HA -0.132 4.338 4.470 0.001 0.000 0.228 421 S C 0.974 175.501 174.600 -0.122 0.000 1.027 421 S CA 1.268 59.377 58.200 -0.152 0.000 0.991 421 S CB -0.169 62.942 63.200 -0.148 0.000 0.823 421 S HN 0.649 nan 8.310 nan 0.000 0.469 422 D N -1.334 118.989 120.400 -0.130 0.000 2.525 422 D HA 0.250 4.891 4.640 0.001 0.000 0.231 422 D C 1.192 177.443 176.300 -0.081 0.000 1.216 422 D CA 0.385 54.330 54.000 -0.091 0.000 0.813 422 D CB -0.443 40.313 40.800 -0.075 0.000 1.108 422 D HN 0.561 nan 8.370 nan 0.000 0.524 423 G N 0.670 109.412 108.800 -0.097 0.000 2.153 423 G HA2 -0.172 3.788 3.960 0.001 0.000 0.252 423 G HA3 -0.172 3.788 3.960 0.001 0.000 0.252 423 G C 0.651 175.513 174.900 -0.062 0.000 0.994 423 G CA 0.269 45.323 45.100 -0.078 0.000 0.698 423 G HN 0.906 nan 8.290 nan 0.000 0.521 424 A N -0.316 122.467 122.820 -0.063 0.000 2.561 424 A HA 0.602 4.923 4.320 0.001 0.000 0.234 424 A C 0.841 178.419 177.584 -0.010 0.000 1.055 424 A CA 0.843 52.865 52.037 -0.024 0.000 0.756 424 A CB 0.220 19.218 19.000 -0.002 0.000 0.986 424 A HN 0.677 nan 8.150 nan 0.000 0.505 425 R N 0.534 121.036 120.500 0.004 0.000 2.673 425 R HA 0.596 4.936 4.340 0.001 0.000 0.281 425 R C -1.164 175.148 176.300 0.018 0.000 0.991 425 R CA -0.560 55.539 56.100 -0.001 0.000 0.896 425 R CB 2.335 32.621 30.300 -0.022 0.000 1.201 425 R HN 0.877 nan 8.270 nan 0.000 0.457 426 E N 2.063 122.275 120.200 0.020 0.000 2.313 426 E HA 0.152 4.503 4.350 0.001 0.000 0.280 426 E C -1.582 175.026 176.600 0.013 0.000 0.898 426 E CA -0.647 55.767 56.400 0.023 0.000 0.803 426 E CB 1.345 31.068 29.700 0.039 0.000 1.286 426 E HN 0.357 nan 8.360 nan 0.000 0.401 427 N N 4.855 123.564 118.700 0.014 0.000 2.415 427 N HA 0.279 5.019 4.740 0.001 0.000 0.246 427 N C -1.166 174.351 175.510 0.012 0.000 1.078 427 N CA 0.077 53.137 53.050 0.017 0.000 0.942 427 N CB 0.392 38.892 38.487 0.023 0.000 1.140 427 N HN 0.456 nan 8.380 nan 0.000 0.501 428 L N 1.510 122.738 121.223 0.008 0.000 2.330 428 L HA 0.662 5.003 4.340 0.001 0.000 0.271 428 L C 0.558 177.429 176.870 0.001 0.000 1.013 428 L CA -1.408 53.432 54.840 0.000 0.000 0.816 428 L CB 1.500 43.552 42.059 -0.011 0.000 1.287 428 L HN 0.432 nan 8.230 nan 0.000 0.435 429 A N 1.110 123.929 122.820 -0.003 0.000 2.520 429 A HA 0.037 4.357 4.320 0.001 0.000 0.235 429 A C 0.761 178.340 177.584 -0.009 0.000 1.065 429 A CA -0.148 51.886 52.037 -0.004 0.000 0.764 429 A CB 0.200 19.196 19.000 -0.006 0.000 1.002 429 A HN 0.734 nan 8.150 nan 0.000 0.502 430 L N 2.649 123.868 121.223 -0.007 0.000 2.083 430 L HA -0.041 4.300 4.340 0.001 0.000 0.209 430 L C 2.401 179.259 176.870 -0.019 0.000 1.083 430 L CA 2.763 57.597 54.840 -0.011 0.000 0.752 430 L CB -0.656 41.399 42.059 -0.007 0.000 0.899 430 L HN 0.750 nan 8.230 nan 0.000 0.433 431 A N -1.400 121.410 122.820 -0.018 0.000 2.167 431 A HA -0.059 4.262 4.320 0.001 0.000 0.214 431 A C 1.577 179.145 177.584 -0.027 0.000 1.151 431 A CA 1.252 53.276 52.037 -0.021 0.000 0.735 431 A CB -0.486 18.504 19.000 -0.017 0.000 0.802 431 A HN 0.519 nan 8.150 nan 0.000 0.467 432 D N -1.237 119.146 120.400 -0.028 0.000 2.338 432 D HA 0.016 4.656 4.640 0.001 0.000 0.208 432 D C 1.722 177.992 176.300 -0.049 0.000 0.997 432 D CA 0.512 54.491 54.000 -0.035 0.000 0.880 432 D CB -0.308 40.475 40.800 -0.029 0.000 0.980 432 D HN 0.121 nan 8.370 nan 0.000 0.509 433 V N 0.645 120.529 119.914 -0.050 0.000 2.469 433 V HA -0.214 3.906 4.120 0.001 0.000 0.251 433 V C 2.108 178.146 176.094 -0.093 0.000 1.064 433 V CA 1.350 63.609 62.300 -0.068 0.000 1.066 433 V CB -0.096 31.697 31.823 -0.050 0.000 0.667 433 V HN 0.046 nan 8.190 nan 0.000 0.461 434 V N 0.357 120.224 119.914 -0.077 0.000 2.379 434 V HA 0.023 4.143 4.120 0.001 0.000 0.245 434 V C 1.658 177.695 176.094 -0.094 0.000 1.044 434 V CA 1.060 63.309 62.300 -0.085 0.000 1.036 434 V CB -1.009 30.776 31.823 -0.065 0.000 0.664 434 V HN 0.566 nan 8.190 nan 0.000 0.453 435 A N 1.447 124.219 122.820 -0.079 0.000 2.618 435 A HA 0.172 4.493 4.320 0.001 0.000 0.293 435 A C 0.810 178.329 177.584 -0.108 0.000 1.413 435 A CA 0.076 52.065 52.037 -0.079 0.000 1.074 435 A CB -0.662 18.303 19.000 -0.058 0.000 1.087 435 A HN 0.503 nan 8.150 nan 0.000 0.553 436 R N 0.000 120.414 120.500 -0.144 0.000 2.786 436 R HA 0.000 4.341 4.340 0.001 0.000 0.208 436 R CA 0.000 55.958 56.100 -0.236 0.000 0.921 436 R CB 0.000 30.126 30.300 -0.289 0.000 0.687 436 R HN 0.000 nan 8.270 nan 0.000 0.535