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 1y3h_1_A DATA FIRST_RESID 5 DATA SEQUENCE RSVLLVVHTX XXXXTETARR VEKVLGDNKI ALRVLSXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXHAAD GCELVLVLGG DGTFLRAAEL ARNASIPVLG DATA SEQUENCE VNLGRIGFLA EAEAEAIDAV LEHVVAQDYR VEDRLTLDVV VRQGGRIVNR DATA SEQUENCE GWALNEVSLE KGPRLGVLGV VVEIDGRPVS AFGCDGVLVS TPTGSTAYAF DATA SEQUENCE SAGGPVLWPD LEAILVVPNN AHALFGRPMV TSPEATIAIE IEADGHDALV DATA SEQUENCE FCDGRREMLI PAGSRLEVTR CVTSVKWARL DSAPFTDRLV RKFRLPVIGW DATA SEQUENCE RGK 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.313 176.300 0.022 0.000 0.893 5 R CA 0.000 56.114 56.100 0.024 0.000 0.921 5 R CB 0.000 30.315 30.300 0.025 0.000 0.687 6 S N 0.686 116.398 115.700 0.020 0.000 2.475 6 S HA 0.543 5.013 4.470 -0.000 0.000 0.281 6 S C 0.157 174.768 174.600 0.019 0.000 1.198 6 S CA -0.252 57.958 58.200 0.017 0.000 1.063 6 S CB 0.841 64.049 63.200 0.013 0.000 0.972 6 S HN 0.127 nan 8.310 nan 0.000 0.486 7 V N 5.634 125.557 119.914 0.015 0.000 2.667 7 V HA 0.532 4.652 4.120 -0.000 0.000 0.308 7 V C -0.320 175.777 176.094 0.006 0.000 1.048 7 V CA -0.911 61.396 62.300 0.011 0.000 0.928 7 V CB 1.696 33.523 31.823 0.007 0.000 1.004 7 V HN 0.802 nan 8.190 nan 0.000 0.444 8 L N 4.970 126.193 121.223 0.000 0.000 2.426 8 L HA 0.516 4.856 4.340 -0.000 0.000 0.255 8 L C -0.460 176.405 176.870 -0.010 0.000 1.080 8 L CA -0.209 54.631 54.840 0.001 0.000 0.960 8 L CB 0.714 42.776 42.059 0.004 0.000 1.326 8 L HN 0.627 nan 8.230 nan 0.000 0.441 9 L N 4.808 126.026 121.223 -0.008 0.000 2.483 9 L HA 0.415 4.755 4.340 -0.000 0.000 0.276 9 L C -0.681 176.182 176.870 -0.012 0.000 1.213 9 L CA 0.593 55.426 54.840 -0.013 0.000 0.843 9 L CB 0.970 43.024 42.059 -0.008 0.000 1.107 9 L HN 0.320 nan 8.230 nan 0.000 0.487 10 V N 5.569 125.472 119.914 -0.018 0.000 2.655 10 V HA 0.503 4.623 4.120 -0.000 0.000 0.301 10 V C -0.667 175.424 176.094 -0.005 0.000 1.082 10 V CA -0.450 61.840 62.300 -0.017 0.000 0.899 10 V CB 1.876 33.678 31.823 -0.036 0.000 1.014 10 V HN 0.768 nan 8.190 nan 0.000 0.429 11 V N 0.538 120.458 119.914 0.010 0.000 2.769 11 V HA 0.573 4.693 4.120 -0.000 0.000 0.312 11 V C 1.003 177.147 176.094 0.083 0.000 1.061 11 V CA -0.416 61.905 62.300 0.036 0.000 0.931 11 V CB 1.538 33.375 31.823 0.024 0.000 1.010 11 V HN 0.893 nan 8.190 nan 0.000 0.433 12 H N 2.757 121.814 119.070 -0.022 0.000 3.135 12 H HA -0.069 4.487 4.556 -0.000 0.000 0.302 12 H C 1.223 176.537 175.328 -0.025 0.000 1.003 12 H CA 2.084 58.118 56.048 -0.023 0.000 1.032 12 H CB 0.080 29.829 29.762 -0.022 0.000 1.595 12 H HN 0.937 nan 8.280 nan 0.000 0.878 20 E N 1.355 121.542 120.200 -0.021 0.000 2.465 20 E HA 0.040 4.390 4.350 -0.000 0.000 0.209 20 E C 1.588 178.179 176.600 -0.015 0.000 0.951 20 E CA 1.193 57.582 56.400 -0.019 0.000 0.997 20 E CB 0.504 30.192 29.700 -0.021 0.000 1.025 20 E HN 0.730 nan 8.360 nan 0.000 0.500 21 T N -1.959 112.586 114.554 -0.014 0.000 3.215 21 T HA 0.282 4.632 4.350 -0.000 0.000 0.254 21 T C 1.592 176.285 174.700 -0.011 0.000 1.149 21 T CA 0.583 62.675 62.100 -0.013 0.000 1.042 21 T CB 0.255 69.115 68.868 -0.014 0.000 0.966 21 T HN 0.102 nan 8.240 nan 0.000 0.534 22 A N 3.842 126.656 122.820 -0.010 0.000 1.832 22 A HA -0.092 4.228 4.320 -0.000 0.000 0.214 22 A C 2.603 180.182 177.584 -0.008 0.000 1.200 22 A CA 1.354 53.386 52.037 -0.008 0.000 0.610 22 A CB -0.597 18.399 19.000 -0.006 0.000 0.842 22 A HN 0.597 nan 8.150 nan 0.000 0.444 23 R N 0.238 120.733 120.500 -0.008 0.000 2.154 23 R HA -0.225 4.115 4.340 -0.000 0.000 0.248 23 R C 2.174 178.470 176.300 -0.007 0.000 1.155 23 R CA 1.733 57.829 56.100 -0.007 0.000 0.979 23 R CB -0.857 29.439 30.300 -0.007 0.000 0.869 23 R HN 0.629 nan 8.270 nan 0.000 0.452 24 R N 1.336 121.831 120.500 -0.009 0.000 2.088 24 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 24 R C 2.310 178.604 176.300 -0.009 0.000 1.136 24 R CA 2.174 58.268 56.100 -0.009 0.000 0.926 24 R CB -0.433 29.860 30.300 -0.011 0.000 0.837 24 R HN 0.148 nan 8.270 nan 0.000 0.429 25 V N 2.489 122.396 119.914 -0.010 0.000 2.252 25 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 25 V C 2.425 178.514 176.094 -0.009 0.000 1.056 25 V CA 2.447 64.740 62.300 -0.011 0.000 1.022 25 V CB -0.887 30.928 31.823 -0.014 0.000 0.641 25 V HN 0.653 nan 8.190 nan 0.000 0.445 26 E N -0.030 120.165 120.200 -0.008 0.000 2.333 26 E HA -0.259 4.091 4.350 -0.000 0.000 0.198 26 E C 2.128 178.726 176.600 -0.004 0.000 1.007 26 E CA 1.188 57.585 56.400 -0.005 0.000 0.845 26 E CB -0.136 29.562 29.700 -0.004 0.000 0.766 26 E HN 0.431 nan 8.360 nan 0.000 0.507 27 K N 1.188 121.585 120.400 -0.005 0.000 2.141 27 K HA 0.018 4.338 4.320 -0.000 0.000 0.202 27 K C 2.091 178.689 176.600 -0.004 0.000 1.045 27 K CA 0.870 57.154 56.287 -0.004 0.000 0.971 27 K CB -0.143 32.355 32.500 -0.005 0.000 0.795 27 K HN 0.145 nan 8.250 nan 0.000 0.459 28 V N 2.086 121.997 119.914 -0.006 0.000 2.568 28 V HA -0.227 3.893 4.120 -0.000 0.000 0.253 28 V C 2.393 178.484 176.094 -0.004 0.000 1.072 28 V CA 1.109 63.405 62.300 -0.006 0.000 1.084 28 V CB -0.420 31.398 31.823 -0.010 0.000 0.676 28 V HN 0.136 nan 8.190 nan 0.000 0.469 29 L N 0.941 122.162 121.223 -0.003 0.000 2.109 29 L HA 0.081 4.421 4.340 -0.000 0.000 0.207 29 L C 2.448 179.320 176.870 0.003 0.000 1.086 29 L CA 2.061 56.901 54.840 0.000 0.000 0.760 29 L CB -1.237 40.821 42.059 -0.001 0.000 0.910 29 L HN 0.311 nan 8.230 nan 0.000 0.437 30 G N -1.349 107.451 108.800 0.002 0.000 2.402 30 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 30 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 30 G C 1.264 176.166 174.900 0.003 0.000 1.162 30 G CA 0.646 45.747 45.100 0.003 0.000 0.777 30 G HN 0.325 nan 8.290 nan 0.000 0.539 31 D N 0.833 121.233 120.400 0.001 0.000 2.315 31 D HA -0.075 4.565 4.640 -0.000 0.000 0.211 31 D C 1.209 177.510 176.300 0.003 0.000 0.977 31 D CA 0.693 54.694 54.000 0.001 0.000 0.894 31 D CB -0.068 40.731 40.800 -0.001 0.000 0.910 31 D HN 0.349 nan 8.370 nan 0.000 0.490 32 N N 0.514 119.216 118.700 0.004 0.000 2.328 32 N HA 0.042 4.782 4.740 -0.000 0.000 0.247 32 N C -0.334 175.181 175.510 0.010 0.000 1.165 32 N CA -0.089 52.966 53.050 0.007 0.000 0.873 32 N CB 0.759 39.252 38.487 0.009 0.000 1.125 32 N HN 0.090 nan 8.380 nan 0.000 0.513 33 K N 0.763 121.167 120.400 0.008 0.000 3.035 33 K HA -0.164 4.156 4.320 -0.000 0.000 0.262 33 K C -0.508 176.098 176.600 0.011 0.000 1.024 33 K CA 0.652 56.944 56.287 0.009 0.000 0.748 33 K CB -1.328 31.177 32.500 0.009 0.000 1.247 33 K HN 0.399 nan 8.250 nan 0.000 0.482 34 I N 1.226 121.803 120.570 0.011 0.000 2.330 34 I HA 0.228 4.398 4.170 -0.000 0.000 0.286 34 I C 1.005 177.128 176.117 0.011 0.000 1.025 34 I CA -0.601 60.707 61.300 0.014 0.000 1.197 34 I CB 1.161 39.172 38.000 0.017 0.000 1.358 34 I HN 0.231 nan 8.210 nan 0.000 0.467 35 A N 6.814 129.641 122.820 0.012 0.000 2.577 35 A HA 0.318 4.638 4.320 -0.000 0.000 0.233 35 A C -0.573 177.016 177.584 0.009 0.000 1.076 35 A CA 0.452 52.495 52.037 0.010 0.000 0.767 35 A CB 0.337 19.343 19.000 0.010 0.000 1.017 35 A HN 0.601 nan 8.150 nan 0.000 0.511 36 L N 0.570 121.798 121.223 0.008 0.000 2.565 36 L HA 0.545 4.885 4.340 -0.000 0.000 0.261 36 L C -0.533 176.342 176.870 0.008 0.000 0.932 36 L CA -0.119 54.725 54.840 0.007 0.000 0.878 36 L CB 1.789 43.850 42.059 0.004 0.000 1.333 36 L HN 0.916 nan 8.230 nan 0.000 0.409 37 R N 2.940 123.446 120.500 0.010 0.000 2.832 37 R HA 0.959 5.299 4.340 -0.000 0.000 0.271 37 R C -1.372 174.938 176.300 0.015 0.000 0.996 37 R CA -1.022 55.087 56.100 0.016 0.000 0.977 37 R CB 2.458 32.771 30.300 0.021 0.000 1.168 37 R HN 0.390 nan 8.270 nan 0.000 0.482 38 V N 1.960 121.886 119.914 0.020 0.000 2.962 38 V HA 0.586 4.706 4.120 -0.000 0.000 0.313 38 V C -0.988 175.118 176.094 0.021 0.000 1.099 38 V CA -0.820 61.489 62.300 0.015 0.000 0.971 38 V CB 2.032 33.861 31.823 0.010 0.000 1.028 38 V HN 0.515 nan 8.190 nan 0.000 0.430 39 L N 1.568 122.795 121.223 0.007 0.000 2.630 39 L HA 0.836 5.176 4.340 -0.000 0.000 0.258 39 L C -0.217 176.642 176.870 -0.020 0.000 1.072 39 L CA 0.171 55.004 54.840 -0.011 0.000 0.885 39 L CB 2.550 44.594 42.059 -0.025 0.000 1.502 39 L HN 0.759 nan 8.230 nan 0.000 0.406 72 A N 1.432 124.258 122.820 0.010 0.000 2.625 72 A HA 0.331 4.651 4.320 -0.000 0.000 0.289 72 A C 1.076 178.655 177.584 -0.009 0.000 1.411 72 A CA 0.789 52.827 52.037 0.003 0.000 1.035 72 A CB -0.924 18.066 19.000 -0.016 0.000 0.992 72 A HN 0.652 nan 8.150 nan 0.000 0.580 73 A N 4.006 126.848 122.820 0.036 0.000 3.126 73 A HA 0.374 4.694 4.320 -0.000 0.000 0.268 73 A C 0.380 177.973 177.584 0.014 0.000 1.605 73 A CA -0.590 51.467 52.037 0.033 0.000 1.305 73 A CB -0.326 18.719 19.000 0.076 0.000 1.160 73 A HN 0.787 nan 8.150 nan 0.000 0.609 74 D N 0.289 120.688 120.400 -0.000 0.000 2.289 74 D HA 0.307 4.947 4.640 -0.000 0.000 0.266 74 D C 1.582 177.882 176.300 -0.000 0.000 1.243 74 D CA 0.872 54.870 54.000 -0.003 0.000 1.019 74 D CB 0.241 41.035 40.800 -0.010 0.000 1.126 74 D HN 0.568 nan 8.370 nan 0.000 0.541 75 G N -0.920 107.880 108.800 -0.001 0.000 2.494 75 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.252 75 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.252 75 G C 0.840 175.744 174.900 0.007 0.000 1.025 75 G CA 1.052 46.153 45.100 0.002 0.000 0.638 75 G HN 0.586 nan 8.290 nan 0.000 0.544 76 C N -0.242 119.064 119.300 0.009 0.000 2.912 76 C HA 0.457 4.917 4.460 -0.000 0.000 0.285 76 C C 1.974 176.976 174.990 0.022 0.000 1.422 76 C CA 0.900 59.927 59.018 0.015 0.000 2.039 76 C CB 0.713 28.461 27.740 0.013 0.000 2.177 76 C HN 0.712 nan 8.230 nan 0.000 0.703 77 E N -1.198 119.021 120.200 0.032 0.000 2.406 77 E HA 0.231 4.581 4.350 -0.000 0.000 0.204 77 E C -0.049 176.594 176.600 0.072 0.000 0.820 77 E CA 0.047 56.477 56.400 0.050 0.000 1.136 77 E CB 0.345 30.081 29.700 0.060 0.000 1.129 77 E HN 0.528 nan 8.360 nan 0.000 0.530 78 L N 0.446 121.703 121.223 0.058 0.000 2.322 78 L HA 0.516 4.856 4.340 -0.000 0.000 0.252 78 L C -1.689 175.181 176.870 0.000 0.000 1.055 78 L CA -0.934 53.936 54.840 0.050 0.000 0.849 78 L CB 2.427 44.519 42.059 0.054 0.000 1.446 78 L HN -0.151 nan 8.230 nan 0.000 0.416 79 V N 3.804 123.698 119.914 -0.033 0.000 2.380 79 V HA 0.323 4.443 4.120 -0.000 0.000 0.268 79 V C -0.514 175.529 176.094 -0.086 0.000 1.008 79 V CA -0.523 61.742 62.300 -0.059 0.000 0.823 79 V CB 1.068 32.844 31.823 -0.078 0.000 1.053 79 V HN 0.563 nan 8.190 nan 0.000 0.446 80 L N 4.425 125.607 121.223 -0.069 0.000 2.367 80 L HA 0.556 4.896 4.340 -0.000 0.000 0.275 80 L C -0.344 176.493 176.870 -0.054 0.000 1.129 80 L CA 0.673 55.472 54.840 -0.069 0.000 0.839 80 L CB 1.611 43.634 42.059 -0.059 0.000 1.133 80 L HN 0.426 nan 8.230 nan 0.000 0.453 81 V N 6.608 126.496 119.914 -0.043 0.000 2.638 81 V HA 0.460 4.580 4.120 -0.000 0.000 0.306 81 V C -0.954 175.143 176.094 0.006 0.000 1.052 81 V CA -0.666 61.621 62.300 -0.022 0.000 0.885 81 V CB 2.226 34.027 31.823 -0.038 0.000 0.999 81 V HN 0.628 nan 8.190 nan 0.000 0.424 82 L N 7.434 128.662 121.223 0.007 0.000 2.305 82 L HA 1.054 5.394 4.340 -0.000 0.000 0.284 82 L C 0.638 177.526 176.870 0.030 0.000 1.013 82 L CA 0.969 55.816 54.840 0.012 0.000 0.819 82 L CB 1.213 43.276 42.059 0.006 0.000 1.227 82 L HN 1.003 nan 8.230 nan 0.000 0.417 83 G N 1.401 110.215 108.800 0.024 0.000 2.491 83 G HA2 0.433 4.393 3.960 -0.000 0.000 0.183 83 G HA3 0.433 4.393 3.960 -0.000 0.000 0.183 83 G C -0.774 174.124 174.900 -0.004 0.000 1.221 83 G CA -0.125 44.996 45.100 0.034 0.000 0.996 83 G HN 0.793 nan 8.290 nan 0.000 0.474 84 G N -1.249 107.529 108.800 -0.036 0.000 2.601 84 G HA2 0.503 4.463 3.960 -0.000 0.000 0.317 84 G HA3 0.503 4.463 3.960 -0.000 0.000 0.317 84 G C 0.110 174.992 174.900 -0.030 0.000 1.246 84 G CA 0.548 45.614 45.100 -0.056 0.000 1.012 84 G HN 0.321 nan 8.290 nan 0.000 0.494 85 D N -0.003 120.376 120.400 -0.034 0.000 2.178 85 D HA -0.084 4.556 4.640 -0.000 0.000 0.201 85 D C 2.488 178.829 176.300 0.069 0.000 0.980 85 D CA 1.496 55.514 54.000 0.030 0.000 0.842 85 D CB -0.319 40.496 40.800 0.024 0.000 0.948 85 D HN 0.443 nan 8.370 nan 0.000 0.472 86 G N -0.315 108.479 108.800 -0.010 0.000 2.509 86 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.218 86 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.218 86 G C 1.615 176.479 174.900 -0.061 0.000 1.124 86 G CA 1.028 46.108 45.100 -0.035 0.000 0.776 86 G HN 0.233 nan 8.290 nan 0.000 0.547 87 T N 0.304 114.813 114.554 -0.074 0.000 2.901 87 T HA 0.032 4.382 4.350 -0.000 0.000 0.252 87 T C 1.866 176.568 174.700 0.003 0.000 1.035 87 T CA 0.359 62.404 62.100 -0.093 0.000 1.142 87 T CB -0.229 68.562 68.868 -0.129 0.000 0.869 87 T HN 0.176 nan 8.240 nan 0.000 0.442 88 F N 2.354 122.245 119.950 -0.098 0.000 2.065 88 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 88 F C 1.936 177.705 175.800 -0.051 0.000 1.112 88 F CA 1.259 59.201 58.000 -0.097 0.000 1.212 88 F CB -0.638 38.298 39.000 -0.107 0.000 0.975 88 F HN 0.040 nan 8.300 nan 0.000 0.476 89 L N -0.437 120.856 121.223 0.118 0.000 2.013 89 L HA -0.288 4.052 4.340 -0.000 0.000 0.212 89 L C 2.761 179.621 176.870 -0.017 0.000 1.073 89 L CA 1.558 56.429 54.840 0.053 0.000 0.753 89 L CB -0.872 41.230 42.059 0.071 0.000 0.890 89 L HN 0.088 nan 8.230 nan 0.000 0.432 90 R N 0.681 121.163 120.500 -0.030 0.000 2.082 90 R HA -0.170 4.170 4.340 -0.000 0.000 0.234 90 R C 2.265 178.536 176.300 -0.048 0.000 1.136 90 R CA 2.078 58.160 56.100 -0.030 0.000 0.935 90 R CB -0.917 29.353 30.300 -0.049 0.000 0.842 90 R HN 0.371 nan 8.270 nan 0.000 0.430 91 A N 0.547 123.302 122.820 -0.108 0.000 1.917 91 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 91 A C 2.402 179.887 177.584 -0.166 0.000 1.182 91 A CA 2.404 54.353 52.037 -0.147 0.000 0.633 91 A CB -0.857 18.015 19.000 -0.213 0.000 0.819 91 A HN 0.500 nan 8.150 nan 0.000 0.448 92 A N -0.639 122.039 122.820 -0.236 0.000 1.933 92 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 92 A C 1.970 179.607 177.584 0.089 0.000 1.175 92 A CA 1.717 53.666 52.037 -0.147 0.000 0.628 92 A CB -0.536 18.375 19.000 -0.148 0.000 0.814 92 A HN 0.679 nan 8.150 nan 0.000 0.444 93 E N -0.434 119.867 120.200 0.170 0.000 2.331 93 E HA -0.147 4.203 4.350 -0.000 0.000 0.199 93 E C 1.650 178.346 176.600 0.160 0.000 1.008 93 E CA 0.846 57.438 56.400 0.321 0.000 0.843 93 E CB -0.131 29.715 29.700 0.244 0.000 0.761 93 E HN 0.695 nan 8.360 nan 0.000 0.507 94 L N -0.534 120.726 121.223 0.062 0.000 2.189 94 L HA 0.096 4.436 4.340 -0.000 0.000 0.199 94 L C 2.586 179.453 176.870 -0.005 0.000 1.074 94 L CA 0.684 55.543 54.840 0.031 0.000 0.783 94 L CB -0.399 41.669 42.059 0.017 0.000 0.955 94 L HN 0.096 nan 8.230 nan 0.000 0.460 95 A N 0.702 123.504 122.820 -0.029 0.000 1.883 95 A HA -0.294 4.026 4.320 -0.000 0.000 0.217 95 A C 2.273 179.827 177.584 -0.051 0.000 1.186 95 A CA 2.192 54.205 52.037 -0.040 0.000 0.624 95 A CB -0.603 18.360 19.000 -0.063 0.000 0.822 95 A HN 0.364 nan 8.150 nan 0.000 0.444 96 R N 0.750 121.203 120.500 -0.079 0.000 2.143 96 R HA -0.235 4.105 4.340 -0.000 0.000 0.239 96 R C 1.796 177.989 176.300 -0.178 0.000 1.126 96 R CA 2.677 58.663 56.100 -0.190 0.000 0.927 96 R CB -1.226 28.800 30.300 -0.457 0.000 0.860 96 R HN 0.758 nan 8.270 nan 0.000 0.433 97 N N -0.267 118.340 118.700 -0.156 0.000 2.021 97 N HA -0.247 4.493 4.740 -0.000 0.000 0.198 97 N C 1.710 177.178 175.510 -0.071 0.000 1.041 97 N CA 1.472 54.456 53.050 -0.110 0.000 0.862 97 N CB -0.404 38.051 38.487 -0.053 0.000 1.048 97 N HN 0.454 nan 8.380 nan 0.000 0.427 98 A N 0.535 123.327 122.820 -0.046 0.000 2.172 98 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 98 A C 1.077 178.645 177.584 -0.028 0.000 1.154 98 A CA 0.731 52.751 52.037 -0.028 0.000 0.701 98 A CB -0.256 18.736 19.000 -0.014 0.000 0.789 98 A HN 0.286 nan 8.150 nan 0.000 0.465 99 S N -1.299 114.378 115.700 -0.039 0.000 3.791 99 S HA -0.148 4.321 4.470 -0.000 0.000 0.393 99 S C -0.145 174.454 174.600 -0.002 0.000 0.936 99 S CA 0.861 59.044 58.200 -0.028 0.000 1.234 99 S CB -2.305 60.878 63.200 -0.028 0.000 0.891 99 S HN 1.523 nan 8.310 nan 0.000 0.519 100 I N -2.290 118.284 120.570 0.006 0.000 2.827 100 I HA 0.746 4.916 4.170 -0.000 0.000 0.298 100 I C -2.773 173.370 176.117 0.043 0.000 1.235 100 I CA -3.036 58.281 61.300 0.029 0.000 1.021 100 I CB 1.837 39.851 38.000 0.024 0.000 1.259 100 I HN -0.043 nan 8.210 nan 0.000 0.427 101 P HA 0.062 nan 4.420 nan 0.000 0.267 101 P C -0.785 176.531 177.300 0.027 0.000 1.195 101 P CA 0.005 63.175 63.100 0.116 0.000 0.773 101 P CB 0.547 32.382 31.700 0.225 0.000 0.837 102 V N 2.957 122.854 119.914 -0.028 0.000 2.864 102 V HA 0.633 4.753 4.120 -0.000 0.000 0.314 102 V C -0.411 175.584 176.094 -0.166 0.000 1.073 102 V CA -0.549 61.630 62.300 -0.203 0.000 0.956 102 V CB 1.903 33.438 31.823 -0.480 0.000 1.023 102 V HN 0.336 nan 8.190 nan 0.000 0.435 103 L N 2.510 123.643 121.223 -0.150 0.000 2.543 103 L HA 0.866 5.206 4.340 -0.000 0.000 0.265 103 L C -0.236 176.648 176.870 0.023 0.000 0.945 103 L CA 0.120 54.919 54.840 -0.069 0.000 0.869 103 L CB 1.737 43.707 42.059 -0.148 0.000 1.294 103 L HN 0.767 nan 8.230 nan 0.000 0.405 104 G N 3.305 112.165 108.800 0.100 0.000 2.420 104 G HA2 0.662 4.622 3.960 -0.000 0.000 0.331 104 G HA3 0.662 4.622 3.960 -0.000 0.000 0.331 104 G C -1.677 173.209 174.900 -0.022 0.000 1.168 104 G CA -0.605 44.553 45.100 0.097 0.000 0.936 104 G HN 0.542 nan 8.290 nan 0.000 0.479 105 V N 1.826 121.732 119.914 -0.014 0.000 2.447 105 V HA 0.281 4.401 4.120 -0.000 0.000 0.292 105 V C 0.137 176.209 176.094 -0.036 0.000 1.021 105 V CA -1.192 61.088 62.300 -0.033 0.000 0.850 105 V CB 1.178 32.987 31.823 -0.023 0.000 1.005 105 V HN 0.809 nan 8.190 nan 0.000 0.426 106 N N 2.828 121.492 118.700 -0.061 0.000 2.492 106 N HA 0.408 5.148 4.740 -0.000 0.000 0.260 106 N C 0.262 175.745 175.510 -0.046 0.000 1.215 106 N CA -0.152 52.858 53.050 -0.067 0.000 0.923 106 N CB 1.164 39.591 38.487 -0.100 0.000 1.092 106 N HN 0.593 nan 8.380 nan 0.000 0.448 107 L N 0.989 122.192 121.223 -0.034 0.000 3.087 107 L HA 0.316 4.656 4.340 -0.000 0.000 0.169 107 L C 1.944 178.795 176.870 -0.031 0.000 1.276 107 L CA -0.006 54.821 54.840 -0.021 0.000 0.865 107 L CB -1.078 40.985 42.059 0.007 0.000 1.368 107 L HN 0.604 nan 8.230 nan 0.000 0.548 108 G N 0.460 109.248 108.800 -0.019 0.000 2.609 108 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.167 108 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.167 108 G C 0.553 175.415 174.900 -0.063 0.000 1.668 108 G CA 0.128 45.209 45.100 -0.031 0.000 0.886 108 G HN 0.085 nan 8.290 nan 0.000 0.378 109 R N -0.620 119.834 120.500 -0.078 0.000 3.141 109 R HA 0.447 4.787 4.340 -0.000 0.000 0.244 109 R C 0.620 176.825 176.300 -0.157 0.000 1.161 109 R CA -0.213 55.816 56.100 -0.119 0.000 1.091 109 R CB -0.468 29.753 30.300 -0.132 0.000 0.957 109 R HN 0.346 nan 8.270 nan 0.000 0.512 110 I N -0.767 119.668 120.570 -0.225 0.000 2.664 110 I HA 0.515 4.685 4.170 -0.000 0.000 0.308 110 I C 0.452 176.352 176.117 -0.361 0.000 0.984 110 I CA -0.485 60.639 61.300 -0.293 0.000 1.213 110 I CB 1.792 39.573 38.000 -0.365 0.000 1.379 110 I HN 0.585 nan 8.210 nan 0.000 0.501 111 G N 2.455 111.030 108.800 -0.375 0.000 2.731 111 G HA2 0.478 4.438 3.960 -0.000 0.000 0.298 111 G HA3 0.478 4.438 3.960 -0.000 0.000 0.298 111 G C -0.380 174.314 174.900 -0.343 0.000 1.424 111 G CA -0.406 44.481 45.100 -0.355 0.000 1.029 111 G HN 0.499 nan 8.290 nan 0.000 0.518 112 F N 0.814 120.693 119.950 -0.119 0.000 2.325 112 F HA 0.068 4.595 4.527 -0.000 0.000 0.299 112 F C 2.417 178.181 175.800 -0.060 0.000 1.090 112 F CA 0.684 58.658 58.000 -0.043 0.000 1.392 112 F CB 0.030 39.064 39.000 0.056 0.000 1.053 112 F HN 0.277 nan 8.300 nan 0.000 0.521 113 L N -0.485 120.726 121.223 -0.021 0.000 2.478 113 L HA 0.120 4.460 4.340 -0.000 0.000 0.223 113 L C 1.330 177.733 176.870 -0.778 0.000 1.140 113 L CA -0.275 54.320 54.840 -0.408 0.000 0.842 113 L CB -0.765 40.880 42.059 -0.690 0.000 0.953 113 L HN 0.021 nan 8.230 nan 0.000 0.452 114 A N -0.047 122.515 122.820 -0.430 0.000 2.388 114 A HA 0.136 4.456 4.320 -0.000 0.000 0.257 114 A C 1.048 178.518 177.584 -0.190 0.000 1.095 114 A CA -0.311 51.524 52.037 -0.337 0.000 0.791 114 A CB 0.565 19.437 19.000 -0.212 0.000 1.029 114 A HN 0.081 nan 8.150 nan 0.000 0.489 115 E N 0.292 120.406 120.200 -0.143 0.000 2.190 115 E HA 0.248 4.598 4.350 -0.000 0.000 0.191 115 E C 0.605 177.187 176.600 -0.030 0.000 0.978 115 E CA 1.329 57.703 56.400 -0.045 0.000 0.839 115 E CB 0.363 30.051 29.700 -0.021 0.000 0.787 115 E HN 0.813 nan 8.360 nan 0.000 0.473 116 A N 0.340 123.132 122.820 -0.046 0.000 2.610 116 A HA 0.440 4.760 4.320 -0.000 0.000 0.291 116 A C -0.442 177.115 177.584 -0.045 0.000 1.086 116 A CA -0.751 51.267 52.037 -0.033 0.000 0.677 116 A CB 1.268 20.263 19.000 -0.008 0.000 1.278 116 A HN -0.140 nan 8.150 nan 0.000 0.414 117 E N -0.222 119.955 120.200 -0.040 0.000 2.622 117 E HA 0.459 4.809 4.350 -0.000 0.000 0.255 117 E C 1.169 177.750 176.600 -0.032 0.000 1.313 117 E CA 0.190 56.563 56.400 -0.044 0.000 1.011 117 E CB 0.712 30.385 29.700 -0.044 0.000 1.173 117 E HN 0.776 nan 8.360 nan 0.000 0.601 118 A N 0.256 123.057 122.820 -0.032 0.000 2.178 118 A HA -0.049 4.271 4.320 -0.000 0.000 0.211 118 A C 1.202 178.775 177.584 -0.019 0.000 1.157 118 A CA 0.534 52.556 52.037 -0.024 0.000 0.780 118 A CB -0.146 18.839 19.000 -0.025 0.000 0.828 118 A HN 0.368 nan 8.150 nan 0.000 0.476 119 E N -0.315 119.873 120.200 -0.019 0.000 2.438 119 E HA 0.335 4.685 4.350 -0.000 0.000 0.192 119 E C 0.751 177.347 176.600 -0.007 0.000 1.110 119 E CA 0.647 57.039 56.400 -0.014 0.000 0.893 119 E CB 0.075 29.765 29.700 -0.015 0.000 0.990 119 E HN 0.534 nan 8.360 nan 0.000 0.490 120 A N -0.426 122.391 122.820 -0.005 0.000 2.665 120 A HA 0.236 4.556 4.320 -0.000 0.000 0.268 120 A C 1.265 178.850 177.584 0.003 0.000 1.044 120 A CA -0.404 51.635 52.037 0.004 0.000 0.993 120 A CB -0.229 18.781 19.000 0.017 0.000 1.229 120 A HN 0.204 nan 8.150 nan 0.000 0.576 121 I N 1.261 121.828 120.570 -0.006 0.000 2.285 121 I HA -0.402 3.767 4.170 -0.000 0.000 0.253 121 I C 2.077 178.187 176.117 -0.011 0.000 1.104 121 I CA 2.272 63.567 61.300 -0.009 0.000 1.372 121 I CB -0.293 37.699 38.000 -0.013 0.000 1.057 121 I HN 0.609 nan 8.210 nan 0.000 0.431 122 D N 1.177 121.570 120.400 -0.013 0.000 2.110 122 D HA -0.084 4.556 4.640 -0.000 0.000 0.202 122 D C 2.161 178.440 176.300 -0.034 0.000 0.975 122 D CA 0.999 54.985 54.000 -0.022 0.000 0.839 122 D CB -0.501 40.285 40.800 -0.022 0.000 0.996 122 D HN 0.265 nan 8.370 nan 0.000 0.464 123 A N 1.073 123.880 122.820 -0.021 0.000 1.869 123 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 123 A C 2.464 180.050 177.584 0.004 0.000 1.203 123 A CA 2.632 54.652 52.037 -0.029 0.000 0.638 123 A CB -1.368 17.659 19.000 0.044 0.000 0.831 123 A HN 0.244 nan 8.150 nan 0.000 0.450 124 V N 0.050 120.016 119.914 0.086 0.000 2.219 124 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 124 V C 2.364 178.486 176.094 0.046 0.000 1.053 124 V CA 2.493 64.865 62.300 0.120 0.000 1.009 124 V CB -0.669 31.177 31.823 0.038 0.000 0.636 124 V HN 0.589 nan 8.190 nan 0.000 0.445 125 L N 0.020 121.240 121.223 -0.005 0.000 2.010 125 L HA -0.340 4.000 4.340 -0.000 0.000 0.219 125 L C 2.734 179.587 176.870 -0.028 0.000 1.077 125 L CA 2.655 57.482 54.840 -0.021 0.000 0.773 125 L CB -0.714 41.331 42.059 -0.024 0.000 0.892 125 L HN 0.605 nan 8.230 nan 0.000 0.436 126 E N -0.983 119.169 120.200 -0.079 0.000 2.086 126 E HA -0.286 4.064 4.350 -0.000 0.000 0.200 126 E C 2.129 178.656 176.600 -0.121 0.000 1.012 126 E CA 1.659 57.975 56.400 -0.141 0.000 0.812 126 E CB 0.003 29.549 29.700 -0.257 0.000 0.743 126 E HN 0.553 nan 8.360 nan 0.000 0.453 127 H N -0.625 118.470 119.070 0.042 0.000 2.395 127 H HA -0.062 4.494 4.556 -0.000 0.000 0.299 127 H C 2.367 177.766 175.328 0.118 0.000 1.070 127 H CA 1.254 57.360 56.048 0.097 0.000 1.356 127 H CB -0.179 29.640 29.762 0.096 0.000 1.401 127 H HN 0.123 nan 8.280 nan 0.000 0.524 128 V N 1.518 121.491 119.914 0.099 0.000 2.282 128 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 128 V C 2.920 179.089 176.094 0.125 0.000 1.057 128 V CA 1.946 64.251 62.300 0.007 0.000 1.032 128 V CB -0.808 30.985 31.823 -0.050 0.000 0.645 128 V HN 0.382 nan 8.190 nan 0.000 0.447 129 V N -1.051 118.916 119.914 0.088 0.000 2.346 129 V HA 0.017 4.137 4.120 -0.000 0.000 0.244 129 V C 2.470 178.628 176.094 0.107 0.000 1.037 129 V CA 1.577 63.926 62.300 0.081 0.000 1.029 129 V CB -1.348 30.498 31.823 0.037 0.000 0.663 129 V HN 0.376 nan 8.190 nan 0.000 0.454 130 A N -1.055 121.833 122.820 0.113 0.000 2.125 130 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 130 A C 1.594 179.265 177.584 0.146 0.000 1.156 130 A CA 1.312 53.416 52.037 0.113 0.000 0.671 130 A CB -0.795 18.270 19.000 0.109 0.000 0.794 130 A HN 0.815 nan 8.150 nan 0.000 0.459 131 Q N -1.052 118.895 119.800 0.245 0.000 2.434 131 Q HA -0.226 4.114 4.340 -0.000 0.000 0.299 131 Q C -0.408 175.587 176.000 -0.008 0.000 1.286 131 Q CA 0.670 56.590 55.803 0.195 0.000 0.872 131 Q CB -1.102 27.682 28.738 0.077 0.000 1.193 131 Q HN 0.996 nan 8.270 nan 0.000 0.466 132 D N -1.380 119.110 120.400 0.150 0.000 2.402 132 D HA 0.029 4.669 4.640 -0.000 0.000 0.216 132 D C 0.034 176.370 176.300 0.060 0.000 1.128 132 D CA -0.191 53.852 54.000 0.071 0.000 0.833 132 D CB -0.216 40.673 40.800 0.149 0.000 0.971 132 D HN 0.409 nan 8.370 nan 0.000 0.503 133 Y N 0.054 120.377 120.300 0.039 0.000 2.309 133 Y HA 0.478 5.028 4.550 -0.000 0.000 0.327 133 Y C 0.683 176.597 175.900 0.023 0.000 1.172 133 Y CA -1.668 56.430 58.100 -0.004 0.000 1.280 133 Y CB 0.551 39.018 38.460 0.011 0.000 1.234 133 Y HN -0.246 nan 8.280 nan 0.000 0.512 134 R N 2.453 122.995 120.500 0.069 0.000 2.390 134 R HA 0.564 4.904 4.340 -0.000 0.000 0.291 134 R C -1.435 174.923 176.300 0.097 0.000 1.070 134 R CA -0.527 55.585 56.100 0.021 0.000 1.014 134 R CB 0.711 31.036 30.300 0.042 0.000 1.007 134 R HN 0.759 nan 8.270 nan 0.000 0.466 135 V N 4.281 124.223 119.914 0.046 0.000 2.532 135 V HA 0.331 4.451 4.120 -0.000 0.000 0.295 135 V C -0.280 175.877 176.094 0.105 0.000 1.041 135 V CA -0.432 61.941 62.300 0.121 0.000 0.926 135 V CB 1.522 33.391 31.823 0.078 0.000 0.992 135 V HN 0.932 nan 8.190 nan 0.000 0.457 136 E N 1.447 121.734 120.200 0.146 0.000 2.343 136 E HA 0.511 4.860 4.350 -0.000 0.000 0.278 136 E C -1.837 174.812 176.600 0.082 0.000 0.910 136 E CA -0.938 55.515 56.400 0.089 0.000 0.757 136 E CB 2.055 31.795 29.700 0.066 0.000 1.218 136 E HN 0.505 nan 8.360 nan 0.000 0.435 137 D N 1.283 121.703 120.400 0.033 0.000 2.341 137 D HA 0.277 4.917 4.640 -0.000 0.000 0.245 137 D C -0.635 175.628 176.300 -0.061 0.000 1.106 137 D CA -0.029 53.980 54.000 0.015 0.000 0.905 137 D CB 0.924 41.730 40.800 0.010 0.000 1.202 137 D HN 0.265 nan 8.370 nan 0.000 0.426 138 R N 1.759 122.201 120.500 -0.096 0.000 2.599 138 R HA 0.388 4.728 4.340 -0.000 0.000 0.295 138 R C -0.698 175.546 176.300 -0.093 0.000 0.963 138 R CA -0.957 55.017 56.100 -0.210 0.000 0.883 138 R CB 1.096 31.083 30.300 -0.521 0.000 1.171 138 R HN 0.488 nan 8.270 nan 0.000 0.450 139 L N 4.229 125.398 121.223 -0.090 0.000 2.660 139 L HA 0.023 4.363 4.340 -0.000 0.000 0.272 139 L C -0.404 176.477 176.870 0.018 0.000 1.194 139 L CA 0.866 55.688 54.840 -0.030 0.000 0.945 139 L CB 0.381 42.417 42.059 -0.038 0.000 1.212 139 L HN 0.759 nan 8.230 nan 0.000 0.490 140 T N 4.337 118.932 114.554 0.069 0.000 2.876 140 T HA 0.533 4.883 4.350 -0.000 0.000 0.289 140 T C -0.183 174.606 174.700 0.148 0.000 1.014 140 T CA -0.963 61.229 62.100 0.153 0.000 0.986 140 T CB 1.261 70.270 68.868 0.236 0.000 1.021 140 T HN 0.475 nan 8.240 nan 0.000 0.458 141 L N 2.526 123.849 121.223 0.168 0.000 2.439 141 L HA 0.552 4.892 4.340 -0.000 0.000 0.259 141 L C 0.366 177.352 176.870 0.193 0.000 1.129 141 L CA -0.852 54.071 54.840 0.139 0.000 0.803 141 L CB 0.703 42.820 42.059 0.096 0.000 1.161 141 L HN 0.773 nan 8.230 nan 0.000 0.462 142 D N 0.985 121.469 120.400 0.140 0.000 2.542 142 D HA 0.373 5.013 4.640 -0.000 0.000 0.252 142 D C -1.267 175.095 176.300 0.104 0.000 1.222 142 D CA -0.304 53.785 54.000 0.147 0.000 0.895 142 D CB 2.075 42.937 40.800 0.103 0.000 1.207 142 D HN 0.148 nan 8.370 nan 0.000 0.558 143 V N 2.389 122.369 119.914 0.110 0.000 2.481 143 V HA 0.594 4.714 4.120 -0.000 0.000 0.286 143 V C 0.270 176.398 176.094 0.057 0.000 1.042 143 V CA -0.761 61.579 62.300 0.066 0.000 0.928 143 V CB 1.680 33.529 31.823 0.044 0.000 0.986 143 V HN 0.384 nan 8.190 nan 0.000 0.462 144 V N 4.385 124.321 119.914 0.037 0.000 2.612 144 V HA 0.410 4.530 4.120 -0.000 0.000 0.301 144 V C -0.306 175.798 176.094 0.016 0.000 1.059 144 V CA -0.523 61.795 62.300 0.029 0.000 0.886 144 V CB 2.109 33.949 31.823 0.028 0.000 1.007 144 V HN 0.691 nan 8.190 nan 0.000 0.426 145 V N 4.815 124.735 119.914 0.010 0.000 2.617 145 V HA 0.662 4.782 4.120 -0.000 0.000 0.298 145 V C 0.098 176.194 176.094 0.003 0.000 1.048 145 V CA -0.642 61.659 62.300 0.002 0.000 0.964 145 V CB 1.686 33.506 31.823 -0.005 0.000 1.004 145 V HN 0.884 nan 8.190 nan 0.000 0.466 146 R N 3.164 123.664 120.500 -0.000 0.000 2.512 146 R HA 0.446 4.786 4.340 -0.000 0.000 0.291 146 R C -1.279 175.019 176.300 -0.003 0.000 1.097 146 R CA -0.476 55.624 56.100 0.000 0.000 0.940 146 R CB 1.789 32.089 30.300 0.001 0.000 1.198 146 R HN 0.891 nan 8.270 nan 0.000 0.429 147 Q N 2.204 122.002 119.800 -0.003 0.000 2.365 147 Q HA 0.431 4.771 4.340 -0.000 0.000 0.269 147 Q C 0.182 176.179 176.000 -0.005 0.000 1.061 147 Q CA 0.229 56.029 55.803 -0.005 0.000 0.816 147 Q CB 1.783 30.517 28.738 -0.006 0.000 1.325 147 Q HN 0.888 nan 8.270 nan 0.000 0.446 148 G N 2.110 110.907 108.800 -0.006 0.000 2.305 148 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.287 148 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.287 148 G C 0.782 175.680 174.900 -0.004 0.000 1.036 148 G CA 0.680 45.776 45.100 -0.005 0.000 0.887 148 G HN 1.685 nan 8.290 nan 0.000 0.505 149 G N -1.714 107.084 108.800 -0.004 0.000 2.189 149 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.267 149 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.267 149 G C 0.450 175.349 174.900 -0.001 0.000 0.975 149 G CA 1.199 46.297 45.100 -0.003 0.000 0.644 149 G HN 1.130 nan 8.290 nan 0.000 0.537 150 R N -0.350 120.150 120.500 -0.001 0.000 2.393 150 R HA 0.592 4.932 4.340 -0.000 0.000 0.310 150 R C 0.506 176.807 176.300 0.002 0.000 0.968 150 R CA -1.011 55.090 56.100 0.001 0.000 0.867 150 R CB 1.440 31.741 30.300 0.000 0.000 1.124 150 R HN 0.216 nan 8.270 nan 0.000 0.450 151 I N 3.707 124.279 120.570 0.004 0.000 2.691 151 I HA -0.126 4.044 4.170 -0.000 0.000 0.288 151 I C 1.055 177.176 176.117 0.006 0.000 1.143 151 I CA 0.249 61.553 61.300 0.007 0.000 1.364 151 I CB 0.594 38.600 38.000 0.010 0.000 1.435 151 I HN 0.558 nan 8.210 nan 0.000 0.551 152 V N 5.573 125.490 119.914 0.004 0.000 3.052 152 V HA 0.075 4.195 4.120 -0.000 0.000 0.254 152 V C 0.727 176.824 176.094 0.005 0.000 1.100 152 V CA 0.957 63.259 62.300 0.003 0.000 1.112 152 V CB -0.661 31.162 31.823 -0.001 0.000 0.738 152 V HN 0.763 nan 8.190 nan 0.000 0.469 153 N N -0.328 118.377 118.700 0.008 0.000 2.927 153 N HA 0.551 5.291 4.740 -0.000 0.000 0.248 153 N C -1.262 174.262 175.510 0.024 0.000 1.443 153 N CA -0.604 52.453 53.050 0.013 0.000 0.870 153 N CB 2.692 41.181 38.487 0.003 0.000 1.444 153 N HN 0.149 nan 8.380 nan 0.000 0.519 154 R N -0.164 120.358 120.500 0.037 0.000 2.566 154 R HA 0.758 5.098 4.340 -0.000 0.000 0.271 154 R C -0.941 175.415 176.300 0.094 0.000 1.071 154 R CA -0.476 55.661 56.100 0.060 0.000 0.915 154 R CB 1.027 31.362 30.300 0.059 0.000 1.228 154 R HN 0.680 nan 8.270 nan 0.000 0.449 155 G N 1.720 110.596 108.800 0.127 0.000 2.782 155 G HA2 0.712 4.672 3.960 -0.000 0.000 0.304 155 G HA3 0.712 4.672 3.960 -0.000 0.000 0.304 155 G C -1.875 173.211 174.900 0.309 0.000 1.315 155 G CA -0.245 44.968 45.100 0.189 0.000 0.791 155 G HN 0.667 nan 8.290 nan 0.000 0.519 156 W N -2.024 119.293 121.300 0.029 0.000 2.989 156 W HA 0.767 5.427 4.660 -0.000 0.000 0.344 156 W C -1.475 175.073 176.519 0.049 0.000 1.233 156 W CA -1.264 56.102 57.345 0.036 0.000 1.187 156 W CB 1.131 30.612 29.460 0.034 0.000 1.443 156 W HN 1.578 nan 8.180 nan 0.000 0.573 157 A N 2.193 125.022 122.820 0.015 0.000 2.456 157 A HA 0.520 4.840 4.320 -0.000 0.000 0.288 157 A C -0.951 176.677 177.584 0.074 0.000 1.042 157 A CA -0.438 51.478 52.037 -0.201 0.000 0.738 157 A CB 1.548 20.482 19.000 -0.110 0.000 1.266 157 A HN 0.983 nan 8.150 nan 0.000 0.407 158 L N 1.847 123.110 121.223 0.067 0.000 2.567 158 L HA 0.286 4.626 4.340 -0.000 0.000 0.225 158 L C 0.988 177.955 176.870 0.161 0.000 1.119 158 L CA 1.590 56.579 54.840 0.248 0.000 0.871 158 L CB -0.226 42.078 42.059 0.408 0.000 1.036 158 L HN 0.829 nan 8.230 nan 0.000 0.459 159 N N -1.225 117.524 118.700 0.081 0.000 2.804 159 N HA 0.073 4.813 4.740 -0.000 0.000 0.250 159 N C -0.442 175.101 175.510 0.054 0.000 1.024 159 N CA 0.569 53.669 53.050 0.084 0.000 0.995 159 N CB 1.134 39.681 38.487 0.100 0.000 1.690 159 N HN 0.451 nan 8.380 nan 0.000 0.515 160 E N 0.089 120.310 120.200 0.035 0.000 2.416 160 E HA 0.267 4.617 4.350 -0.000 0.000 0.280 160 E C -1.738 174.881 176.600 0.031 0.000 1.055 160 E CA -0.648 55.777 56.400 0.042 0.000 0.825 160 E CB 1.917 31.660 29.700 0.072 0.000 1.312 160 E HN -0.184 nan 8.360 nan 0.000 0.452 161 V N 1.282 121.220 119.914 0.040 0.000 2.380 161 V HA 0.351 4.471 4.120 -0.000 0.000 0.286 161 V C -0.597 175.537 176.094 0.067 0.000 1.015 161 V CA -0.607 61.718 62.300 0.041 0.000 0.834 161 V CB 1.335 33.172 31.823 0.024 0.000 1.009 161 V HN 0.654 nan 8.190 nan 0.000 0.428 162 S N 5.149 120.926 115.700 0.128 0.000 2.433 162 S HA 0.691 5.161 4.470 -0.000 0.000 0.310 162 S C -0.778 173.928 174.600 0.177 0.000 1.097 162 S CA -0.456 57.841 58.200 0.161 0.000 1.103 162 S CB 0.876 64.244 63.200 0.280 0.000 0.992 162 S HN 0.611 nan 8.310 nan 0.000 0.469 163 L N 5.477 126.766 121.223 0.109 0.000 2.282 163 L HA 0.670 5.010 4.340 -0.000 0.000 0.288 163 L C -0.624 176.320 176.870 0.123 0.000 1.033 163 L CA 0.287 55.180 54.840 0.089 0.000 0.807 163 L CB 1.107 43.195 42.059 0.049 0.000 1.209 163 L HN 0.682 nan 8.230 nan 0.000 0.423 164 E N 3.615 123.907 120.200 0.155 0.000 2.343 164 E HA 0.379 4.729 4.350 -0.000 0.000 0.270 164 E C -1.217 175.459 176.600 0.127 0.000 0.895 164 E CA -1.107 55.395 56.400 0.171 0.000 0.767 164 E CB 1.805 31.671 29.700 0.276 0.000 1.248 164 E HN 0.584 nan 8.360 nan 0.000 0.440 165 K N 0.164 120.626 120.400 0.104 0.000 2.336 165 K HA 0.232 4.552 4.320 -0.000 0.000 0.262 165 K C 0.659 177.304 176.600 0.075 0.000 0.992 165 K CA 0.017 56.349 56.287 0.075 0.000 0.927 165 K CB 0.546 33.079 32.500 0.055 0.000 0.956 165 K HN 0.612 nan 8.250 nan 0.000 0.495 166 G N 1.180 110.011 108.800 0.052 0.000 2.557 166 G HA2 0.025 3.985 3.960 -0.000 0.000 0.213 166 G HA3 0.025 3.985 3.960 -0.000 0.000 0.213 166 G C -1.480 173.427 174.900 0.011 0.000 1.221 166 G CA -0.215 44.914 45.100 0.048 0.000 0.832 166 G HN 0.737 nan 8.290 nan 0.000 0.556 167 P HA 0.125 nan 4.420 nan 0.000 0.264 167 P C 0.237 177.506 177.300 -0.053 0.000 1.193 167 P CA -0.208 62.830 63.100 -0.104 0.000 0.763 167 P CB 1.014 32.541 31.700 -0.287 0.000 0.810 168 R N 1.568 122.051 120.500 -0.029 0.000 2.249 168 R HA 0.041 4.381 4.340 -0.000 0.000 0.230 168 R C 1.005 177.294 176.300 -0.018 0.000 1.121 168 R CA 0.725 56.819 56.100 -0.010 0.000 0.997 168 R CB -0.553 29.745 30.300 -0.004 0.000 0.867 168 R HN 0.534 nan 8.270 nan 0.000 0.465 169 L N -1.212 119.985 121.223 -0.043 0.000 2.298 169 L HA 0.474 4.814 4.340 -0.000 0.000 0.268 169 L C 0.800 177.636 176.870 -0.057 0.000 1.010 169 L CA -0.340 54.475 54.840 -0.041 0.000 0.812 169 L CB 1.371 43.404 42.059 -0.042 0.000 1.331 169 L HN 0.315 nan 8.230 nan 0.000 0.450 170 G N 0.273 109.051 108.800 -0.037 0.000 2.804 170 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.230 170 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.230 170 G C -1.080 173.813 174.900 -0.011 0.000 1.386 170 G CA -0.537 44.545 45.100 -0.031 0.000 0.875 170 G HN 0.499 nan 8.290 nan 0.000 0.557 171 V N 0.305 120.221 119.914 0.004 0.000 2.769 171 V HA 0.631 4.751 4.120 -0.000 0.000 0.312 171 V C 0.682 176.802 176.094 0.044 0.000 1.061 171 V CA -0.686 61.632 62.300 0.030 0.000 0.931 171 V CB 1.881 33.726 31.823 0.036 0.000 1.010 171 V HN 0.961 nan 8.190 nan 0.000 0.433 172 L N 3.637 124.897 121.223 0.061 0.000 2.342 172 L HA 0.579 4.919 4.340 -0.000 0.000 0.285 172 L C 0.914 177.819 176.870 0.059 0.000 1.095 172 L CA -0.065 54.812 54.840 0.062 0.000 0.843 172 L CB 0.064 42.163 42.059 0.067 0.000 1.201 172 L HN 0.886 nan 8.230 nan 0.000 0.445 173 G N 4.343 113.167 108.800 0.039 0.000 2.365 173 G HA2 0.409 4.369 3.960 -0.000 0.000 0.249 173 G HA3 0.409 4.369 3.960 -0.000 0.000 0.249 173 G C -0.824 174.058 174.900 -0.030 0.000 1.288 173 G CA -0.141 44.966 45.100 0.012 0.000 0.887 173 G HN 0.537 nan 8.290 nan 0.000 0.524 174 V N 2.185 122.036 119.914 -0.106 0.000 3.232 174 V HA 0.689 4.809 4.120 -0.000 0.000 0.303 174 V C -1.212 174.697 176.094 -0.308 0.000 1.311 174 V CA -0.604 61.589 62.300 -0.177 0.000 1.061 174 V CB 2.512 34.238 31.823 -0.162 0.000 1.085 174 V HN 0.629 nan 8.190 nan 0.000 0.447 175 V N 3.443 123.207 119.914 -0.250 0.000 2.569 175 V HA 0.520 4.640 4.120 -0.000 0.000 0.301 175 V C -0.626 175.355 176.094 -0.188 0.000 1.044 175 V CA -0.507 61.648 62.300 -0.242 0.000 0.874 175 V CB 2.049 33.792 31.823 -0.133 0.000 1.002 175 V HN 0.679 nan 8.190 nan 0.000 0.424 176 V N 4.789 124.586 119.914 -0.195 0.000 2.481 176 V HA 0.614 4.734 4.120 -0.000 0.000 0.286 176 V C -0.066 176.014 176.094 -0.022 0.000 1.042 176 V CA -0.430 61.829 62.300 -0.070 0.000 0.928 176 V CB 1.622 33.455 31.823 0.016 0.000 0.986 176 V HN 1.019 nan 8.190 nan 0.000 0.462 177 E N 4.262 124.459 120.200 -0.005 0.000 2.278 177 E HA 0.617 4.967 4.350 -0.000 0.000 0.272 177 E C -1.958 174.650 176.600 0.013 0.000 0.890 177 E CA -0.813 55.588 56.400 0.001 0.000 0.770 177 E CB 1.957 31.651 29.700 -0.010 0.000 1.212 177 E HN 0.453 nan 8.360 nan 0.000 0.415 178 I N 3.248 123.828 120.570 0.018 0.000 2.354 178 I HA 0.223 4.392 4.170 -0.000 0.000 0.292 178 I C -0.368 175.755 176.117 0.011 0.000 0.989 178 I CA -0.365 60.947 61.300 0.020 0.000 1.188 178 I CB 1.479 39.496 38.000 0.030 0.000 1.342 178 I HN 0.631 nan 8.210 nan 0.000 0.457 179 D N 5.698 126.104 120.400 0.010 0.000 2.697 179 D HA -0.203 4.437 4.640 -0.000 0.000 0.235 179 D C 1.284 177.586 176.300 0.002 0.000 1.167 179 D CA 1.487 55.491 54.000 0.006 0.000 0.656 179 D CB -0.834 39.970 40.800 0.006 0.000 1.025 179 D HN 1.142 nan 8.370 nan 0.000 0.419 180 G N -0.794 108.007 108.800 0.001 0.000 2.304 180 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.252 180 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.252 180 G C 0.366 175.263 174.900 -0.005 0.000 1.014 180 G CA 0.494 45.592 45.100 -0.002 0.000 0.619 180 G HN 0.419 nan 8.290 nan 0.000 0.525 181 R N 0.998 121.496 120.500 -0.004 0.000 2.532 181 R HA 0.564 4.904 4.340 -0.000 0.000 0.295 181 R C -2.712 173.584 176.300 -0.007 0.000 0.968 181 R CA -2.421 53.675 56.100 -0.007 0.000 0.916 181 R CB 1.536 31.831 30.300 -0.008 0.000 1.124 181 R HN 0.268 nan 8.270 nan 0.000 0.463 182 P HA 0.102 nan 4.420 nan 0.000 0.297 182 P C 0.644 177.939 177.300 -0.010 0.000 1.319 182 P CA -0.430 62.662 63.100 -0.013 0.000 0.810 182 P CB 1.528 33.214 31.700 -0.023 0.000 0.947 183 V N 1.582 121.502 119.914 0.010 0.000 2.341 183 V HA 0.151 4.271 4.120 -0.000 0.000 0.240 183 V C 0.765 176.886 176.094 0.044 0.000 1.035 183 V CA 1.105 63.416 62.300 0.018 0.000 1.033 183 V CB -0.956 30.911 31.823 0.074 0.000 0.678 183 V HN 0.425 nan 8.190 nan 0.000 0.464 184 S N -0.220 115.544 115.700 0.107 0.000 2.570 184 S HA 0.863 5.333 4.470 -0.000 0.000 0.286 184 S C -0.526 174.027 174.600 -0.078 0.000 1.099 184 S CA 0.055 58.353 58.200 0.165 0.000 0.913 184 S CB 1.768 65.330 63.200 0.603 0.000 1.085 184 S HN 0.966 nan 8.310 nan 0.000 0.480 185 A N 2.572 125.373 122.820 -0.032 0.000 2.431 185 A HA 0.775 5.095 4.320 -0.000 0.000 0.318 185 A C -0.709 176.847 177.584 -0.047 0.000 1.330 185 A CA -0.643 51.300 52.037 -0.158 0.000 0.804 185 A CB -0.394 18.574 19.000 -0.054 0.000 1.135 185 A HN 0.735 nan 8.150 nan 0.000 0.483 186 F N 0.097 120.080 119.950 0.055 0.000 2.643 186 F HA 0.874 5.401 4.527 -0.000 0.000 0.314 186 F C 0.382 176.211 175.800 0.048 0.000 1.096 186 F CA -1.098 56.938 58.000 0.060 0.000 0.953 186 F CB 0.959 40.005 39.000 0.077 0.000 1.345 186 F HN 0.518 nan 8.300 nan 0.000 0.468 187 G N -0.556 108.447 108.800 0.340 0.000 2.448 187 G HA2 0.601 4.561 3.960 -0.000 0.000 0.285 187 G HA3 0.601 4.561 3.960 -0.000 0.000 0.285 187 G C -0.861 174.233 174.900 0.324 0.000 1.176 187 G CA -0.136 45.100 45.100 0.227 0.000 0.852 187 G HN 1.570 nan 8.290 nan 0.000 0.530 188 C N -0.713 118.724 119.300 0.228 0.000 3.253 188 C HA 0.531 4.991 4.460 -0.000 0.000 0.361 188 C C 0.149 175.212 174.990 0.121 0.000 1.498 188 C CA -0.674 58.458 59.018 0.190 0.000 1.163 188 C CB 0.985 28.897 27.740 0.286 0.000 1.687 188 C HN 0.473 nan 8.230 nan 0.000 0.430 189 D N 0.403 120.858 120.400 0.092 0.000 2.354 189 D HA 0.475 5.115 4.640 -0.000 0.000 0.209 189 D C 1.019 177.372 176.300 0.089 0.000 1.015 189 D CA 2.089 56.137 54.000 0.080 0.000 0.867 189 D CB 0.776 41.617 40.800 0.069 0.000 0.933 189 D HN 1.308 nan 8.370 nan 0.000 0.520 190 G N -1.364 107.494 108.800 0.096 0.000 2.373 190 G HA2 0.281 4.241 3.960 -0.000 0.000 0.250 190 G HA3 0.281 4.241 3.960 -0.000 0.000 0.250 190 G C -1.789 173.167 174.900 0.094 0.000 1.304 190 G CA -0.399 44.756 45.100 0.091 0.000 0.948 190 G HN 0.015 nan 8.290 nan 0.000 0.474 191 V N 0.645 120.592 119.914 0.055 0.000 2.882 191 V HA 0.519 4.639 4.120 -0.000 0.000 0.295 191 V C -0.790 175.300 176.094 -0.006 0.000 1.273 191 V CA -0.845 61.483 62.300 0.047 0.000 0.949 191 V CB 1.770 33.657 31.823 0.107 0.000 1.071 191 V HN 0.787 nan 8.190 nan 0.000 0.432 192 L N 3.931 125.123 121.223 -0.053 0.000 2.360 192 L HA 0.748 5.088 4.340 -0.000 0.000 0.271 192 L C -0.349 176.513 176.870 -0.014 0.000 1.057 192 L CA -0.487 54.317 54.840 -0.060 0.000 0.803 192 L CB 1.854 43.831 42.059 -0.136 0.000 1.207 192 L HN 0.470 nan 8.230 nan 0.000 0.445 193 V N 1.652 121.568 119.914 0.004 0.000 2.509 193 V HA 0.446 4.566 4.120 -0.000 0.000 0.289 193 V C -0.249 175.856 176.094 0.020 0.000 1.026 193 V CA -0.440 61.869 62.300 0.016 0.000 0.872 193 V CB 1.825 33.663 31.823 0.024 0.000 1.017 193 V HN 0.961 nan 8.190 nan 0.000 0.436 194 S N 2.441 118.151 115.700 0.017 0.000 2.627 194 S HA 0.809 5.279 4.470 -0.000 0.000 0.283 194 S C -0.051 174.559 174.600 0.016 0.000 1.127 194 S CA -0.192 58.022 58.200 0.023 0.000 0.863 194 S CB 2.170 65.386 63.200 0.027 0.000 1.121 194 S HN 0.915 nan 8.310 nan 0.000 0.479 195 T N -1.175 113.388 114.554 0.016 0.000 2.754 195 T HA 0.438 4.788 4.350 -0.000 0.000 0.286 195 T C -1.987 172.697 174.700 -0.026 0.000 0.997 195 T CA -1.160 60.939 62.100 -0.002 0.000 0.982 195 T CB -0.277 68.593 68.868 0.003 0.000 1.027 195 T HN 0.367 nan 8.240 nan 0.000 0.529 196 P HA -0.004 nan 4.420 nan 0.000 0.215 196 P C 1.730 178.946 177.300 -0.141 0.000 1.157 196 P CA 1.122 64.169 63.100 -0.089 0.000 0.863 196 P CB -0.315 31.319 31.700 -0.109 0.000 0.787 197 T N -1.198 113.266 114.554 -0.151 0.000 2.869 197 T HA -0.114 4.236 4.350 -0.000 0.000 0.270 197 T C 1.655 176.320 174.700 -0.058 0.000 1.082 197 T CA 1.763 63.781 62.100 -0.137 0.000 1.123 197 T CB -0.996 67.826 68.868 -0.076 0.000 0.856 197 T HN 0.225 nan 8.240 nan 0.000 0.499 198 G N 0.363 109.150 108.800 -0.021 0.000 3.233 198 G HA2 0.113 4.072 3.960 -0.000 0.000 0.234 198 G HA3 0.113 4.072 3.960 -0.000 0.000 0.234 198 G C 1.542 176.455 174.900 0.022 0.000 1.137 198 G CA 0.520 45.634 45.100 0.023 0.000 0.763 198 G HN 0.569 nan 8.290 nan 0.000 0.549 199 S N 0.697 116.387 115.700 -0.016 0.000 2.423 199 S HA -0.165 4.305 4.470 -0.000 0.000 0.231 199 S C 2.383 177.036 174.600 0.089 0.000 1.014 199 S CA 1.828 60.047 58.200 0.031 0.000 0.965 199 S CB -0.692 62.517 63.200 0.015 0.000 0.785 199 S HN 0.360 nan 8.310 nan 0.000 0.495 200 T N 0.625 115.146 114.554 -0.054 0.000 2.857 200 T HA 0.331 4.681 4.350 -0.000 0.000 0.266 200 T C 1.542 176.269 174.700 0.045 0.000 1.048 200 T CA 0.667 62.666 62.100 -0.169 0.000 1.139 200 T CB -0.793 67.553 68.868 -0.869 0.000 0.874 200 T HN 0.596 nan 8.240 nan 0.000 0.455 201 A N 1.442 124.317 122.820 0.092 0.000 2.802 201 A HA 0.220 4.540 4.320 -0.000 0.000 0.204 201 A C 1.707 179.467 177.584 0.295 0.000 1.677 201 A CA 0.578 52.721 52.037 0.177 0.000 1.023 201 A CB -1.299 17.792 19.000 0.151 0.000 1.619 201 A HN 0.343 nan 8.150 nan 0.000 0.751 202 Y N 0.304 120.667 120.300 0.105 0.000 2.315 202 Y HA -0.105 4.445 4.550 -0.000 0.000 0.288 202 Y C 2.626 178.584 175.900 0.098 0.000 1.154 202 Y CA 0.883 59.041 58.100 0.095 0.000 1.229 202 Y CB -1.171 37.320 38.460 0.051 0.000 0.980 202 Y HN 0.447 nan 8.280 nan 0.000 0.540 203 A N 0.035 122.963 122.820 0.180 0.000 1.865 203 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 203 A C 2.254 179.887 177.584 0.081 0.000 1.191 203 A CA 1.643 53.706 52.037 0.044 0.000 0.623 203 A CB -1.631 17.403 19.000 0.057 0.000 0.826 203 A HN 0.487 nan 8.150 nan 0.000 0.444 204 F N 1.870 121.845 119.950 0.042 0.000 2.043 204 F HA -0.269 4.258 4.527 -0.000 0.000 0.297 204 F C 2.649 178.485 175.800 0.061 0.000 1.121 204 F CA 2.392 60.416 58.000 0.041 0.000 1.199 204 F CB -0.476 38.575 39.000 0.084 0.000 0.968 204 F HN 0.245 nan 8.300 nan 0.000 0.478 205 S N 0.720 116.644 115.700 0.373 0.000 2.387 205 S HA -0.264 4.205 4.470 -0.000 0.000 0.230 205 S C 2.221 176.870 174.600 0.081 0.000 1.035 205 S CA 1.167 59.529 58.200 0.270 0.000 1.014 205 S CB -1.154 62.282 63.200 0.395 0.000 0.836 205 S HN 0.574 nan 8.310 nan 0.000 0.466 206 A N 0.583 123.424 122.820 0.035 0.000 2.067 206 A HA 0.380 4.700 4.320 -0.000 0.000 0.219 206 A C 1.921 179.415 177.584 -0.149 0.000 1.158 206 A CA 1.508 53.483 52.037 -0.103 0.000 0.661 206 A CB -0.688 18.157 19.000 -0.257 0.000 0.801 206 A HN 1.007 nan 8.150 nan 0.000 0.452 207 G N -2.960 105.719 108.800 -0.201 0.000 2.425 207 G HA2 0.124 4.083 3.960 -0.000 0.000 0.177 207 G HA3 0.124 4.083 3.960 -0.000 0.000 0.177 207 G C 0.709 175.457 174.900 -0.252 0.000 0.999 207 G CA 0.066 45.018 45.100 -0.248 0.000 0.723 207 G HN 1.253 nan 8.290 nan 0.000 0.491 208 G N 1.084 109.765 108.800 -0.198 0.000 2.630 208 G HA2 0.487 4.447 3.960 -0.000 0.000 0.236 208 G HA3 0.487 4.447 3.960 -0.000 0.000 0.236 208 G C -1.549 173.278 174.900 -0.123 0.000 1.248 208 G CA 0.154 45.178 45.100 -0.127 0.000 0.844 208 G HN 0.340 nan 8.290 nan 0.000 0.588 209 P HA 0.361 nan 4.420 nan 0.000 0.283 209 P C -0.366 177.002 177.300 0.112 0.000 1.271 209 P CA -0.552 62.558 63.100 0.016 0.000 0.841 209 P CB 1.643 33.353 31.700 0.017 0.000 1.122 210 V N 1.577 121.605 119.914 0.188 0.000 2.649 210 V HA 0.253 4.373 4.120 -0.000 0.000 0.292 210 V C 0.558 176.831 176.094 0.299 0.000 1.055 210 V CA -0.140 62.307 62.300 0.246 0.000 1.023 210 V CB 0.238 32.231 31.823 0.282 0.000 0.992 210 V HN 0.309 nan 8.190 nan 0.000 0.480 211 L N 2.918 124.268 121.223 0.212 0.000 2.438 211 L HA 0.446 4.786 4.340 -0.000 0.000 0.270 211 L C -0.400 176.522 176.870 0.087 0.000 0.972 211 L CA -0.461 54.516 54.840 0.228 0.000 0.831 211 L CB 1.838 43.937 42.059 0.066 0.000 1.273 211 L HN 0.626 nan 8.230 nan 0.000 0.405 212 W N 3.875 125.038 121.300 -0.228 0.000 2.170 212 W HA 0.083 4.743 4.660 0.000 0.000 0.342 212 W C -1.087 175.108 176.519 -0.540 0.000 1.294 212 W CA -1.011 56.029 57.345 -0.508 0.000 1.246 212 W CB 1.019 30.393 29.460 -0.144 0.000 1.156 212 W HN 0.392 nan 8.180 nan 0.000 0.572 213 P HA -0.250 nan 4.420 nan 0.000 0.216 213 P C 0.821 177.996 177.300 -0.209 0.000 1.150 213 P CA 2.194 65.047 63.100 -0.412 0.000 0.837 213 P CB -0.037 31.407 31.700 -0.427 0.000 0.786 214 D N -0.600 119.745 120.400 -0.092 0.000 2.378 214 D HA -0.036 4.604 4.640 -0.000 0.000 0.227 214 D C 0.884 177.162 176.300 -0.037 0.000 1.012 214 D CA -0.015 53.955 54.000 -0.049 0.000 0.905 214 D CB -0.923 39.886 40.800 0.014 0.000 0.895 214 D HN 0.187 nan 8.370 nan 0.000 0.532 215 L N 0.719 121.923 121.223 -0.030 0.000 2.350 215 L HA 0.348 4.688 4.340 -0.000 0.000 0.275 215 L C -0.476 176.369 176.870 -0.041 0.000 1.099 215 L CA -0.420 54.406 54.840 -0.023 0.000 0.808 215 L CB 1.038 43.098 42.059 0.001 0.000 1.149 215 L HN -0.139 nan 8.230 nan 0.000 0.442 216 E N 4.821 125.002 120.200 -0.031 0.000 2.114 216 E HA 0.694 5.044 4.350 -0.000 0.000 0.266 216 E C -0.831 175.759 176.600 -0.017 0.000 0.896 216 E CA -0.465 55.917 56.400 -0.030 0.000 0.750 216 E CB 1.362 31.045 29.700 -0.028 0.000 1.121 216 E HN 0.877 nan 8.360 nan 0.000 0.413 217 A N 3.375 126.186 122.820 -0.015 0.000 2.573 217 A HA 0.709 5.029 4.320 -0.000 0.000 0.310 217 A C -1.626 175.958 177.584 -0.001 0.000 1.142 217 A CA -0.659 51.376 52.037 -0.004 0.000 0.620 217 A CB 1.036 20.035 19.000 -0.001 0.000 1.382 217 A HN 0.465 nan 8.150 nan 0.000 0.545 218 I N 0.642 121.216 120.570 0.007 0.000 2.534 218 I HA 0.390 4.560 4.170 -0.000 0.000 0.288 218 I C -1.032 175.093 176.117 0.014 0.000 1.077 218 I CA -0.280 61.027 61.300 0.011 0.000 1.051 218 I CB 1.883 39.893 38.000 0.017 0.000 1.234 218 I HN 0.584 nan 8.210 nan 0.000 0.425 219 L N 7.149 128.379 121.223 0.011 0.000 2.307 219 L HA 0.660 5.000 4.340 -0.000 0.000 0.282 219 L C -1.117 175.759 176.870 0.010 0.000 1.051 219 L CA -0.652 54.193 54.840 0.009 0.000 0.804 219 L CB 1.665 43.727 42.059 0.005 0.000 1.197 219 L HN 0.315 nan 8.230 nan 0.000 0.431 220 V N 5.486 125.406 119.914 0.010 0.000 2.443 220 V HA 0.363 4.483 4.120 -0.000 0.000 0.293 220 V C -0.430 175.659 176.094 -0.009 0.000 1.021 220 V CA -0.572 61.738 62.300 0.015 0.000 0.848 220 V CB 1.959 33.809 31.823 0.045 0.000 0.998 220 V HN 0.453 nan 8.190 nan 0.000 0.424 221 V N 7.284 127.178 119.914 -0.034 0.000 2.349 221 V HA 0.381 4.501 4.120 -0.000 0.000 0.284 221 V C -2.410 173.632 176.094 -0.088 0.000 1.014 221 V CA -2.033 60.218 62.300 -0.082 0.000 0.826 221 V CB 1.877 33.632 31.823 -0.112 0.000 1.009 221 V HN 0.680 nan 8.190 nan 0.000 0.431 222 P HA 0.051 nan 4.420 nan 0.000 0.267 222 P C -0.535 176.678 177.300 -0.145 0.000 1.200 222 P CA 0.215 63.253 63.100 -0.104 0.000 0.772 222 P CB 0.420 31.905 31.700 -0.360 0.000 0.855 223 N N 2.490 121.138 118.700 -0.086 0.000 2.476 223 N HA 0.125 4.865 4.740 -0.000 0.000 0.257 223 N C -0.615 174.856 175.510 -0.064 0.000 0.970 223 N CA -0.437 52.551 53.050 -0.104 0.000 0.938 223 N CB -0.219 38.202 38.487 -0.110 0.000 1.144 223 N HN 0.250 nan 8.380 nan 0.000 0.500 224 N N 1.406 120.053 118.700 -0.088 0.000 2.669 224 N HA -0.212 4.528 4.740 -0.000 0.000 0.266 224 N C -0.971 174.506 175.510 -0.055 0.000 1.024 224 N CA 0.802 53.814 53.050 -0.062 0.000 0.766 224 N CB -0.738 37.745 38.487 -0.006 0.000 0.898 224 N HN 0.616 nan 8.380 nan 0.000 0.548 225 A N 0.733 123.452 122.820 -0.168 0.000 2.304 225 A HA 0.282 4.602 4.320 -0.000 0.000 0.271 225 A C 0.560 178.094 177.584 -0.084 0.000 1.091 225 A CA -0.200 51.707 52.037 -0.216 0.000 0.812 225 A CB 0.556 19.102 19.000 -0.758 0.000 1.056 225 A HN 0.506 nan 8.150 nan 0.000 0.489 226 H N 0.535 119.570 119.070 -0.059 0.000 2.328 226 H HA 0.592 5.147 4.556 -0.000 0.000 0.230 226 H C -0.575 174.754 175.328 0.001 0.000 1.481 226 H CA 0.528 56.564 56.048 -0.020 0.000 1.306 226 H CB -0.019 29.757 29.762 0.024 0.000 1.531 226 H HN 0.816 nan 8.280 nan 0.000 0.533 227 A N 2.530 125.326 122.820 -0.039 0.000 2.556 227 A HA 0.321 4.641 4.320 -0.000 0.000 0.294 227 A C 0.468 178.022 177.584 -0.049 0.000 1.091 227 A CA -0.649 51.398 52.037 0.015 0.000 0.704 227 A CB 0.992 20.029 19.000 0.061 0.000 1.300 227 A HN 0.461 nan 8.150 nan 0.000 0.406 228 L N 0.079 121.315 121.223 0.021 0.000 2.017 228 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 228 L C 0.874 177.767 176.870 0.039 0.000 1.073 228 L CA 1.447 56.297 54.840 0.016 0.000 0.745 228 L CB -0.270 41.821 42.059 0.054 0.000 0.894 228 L HN 0.683 nan 8.230 nan 0.000 0.432 229 F N 0.448 120.366 119.950 -0.054 0.000 2.391 229 F HA 0.503 5.030 4.527 -0.000 0.000 0.359 229 F C 0.667 176.387 175.800 -0.135 0.000 1.122 229 F CA -0.541 57.422 58.000 -0.063 0.000 1.120 229 F CB 1.214 40.206 39.000 -0.013 0.000 1.142 229 F HN -0.138 nan 8.300 nan 0.000 0.483 230 G N 6.634 114.964 108.800 -0.783 0.000 4.956 230 G HA2 0.122 4.082 3.960 -0.000 0.000 0.263 230 G HA3 0.122 4.082 3.960 -0.000 0.000 0.263 230 G C -0.356 174.111 174.900 -0.721 0.000 0.958 230 G CA -0.686 43.967 45.100 -0.745 0.000 0.749 230 G HN 0.530 nan 8.290 nan 0.000 0.356 231 R N 1.170 121.086 120.500 -0.973 0.000 2.641 231 R HA 0.324 4.664 4.340 -0.000 0.000 0.269 231 R C -2.421 173.638 176.300 -0.401 0.000 1.074 231 R CA -1.378 54.380 56.100 -0.570 0.000 1.133 231 R CB 0.133 30.165 30.300 -0.446 0.000 1.029 231 R HN 0.076 nan 8.270 nan 0.000 0.488 232 P HA 0.089 nan 4.420 nan 0.000 0.271 232 P C -0.610 176.660 177.300 -0.050 0.000 1.244 232 P CA 0.073 63.100 63.100 -0.122 0.000 0.793 232 P CB 0.649 32.289 31.700 -0.099 0.000 0.984 233 M N 0.016 119.617 119.600 0.002 0.000 2.446 233 M HA 0.378 4.858 4.480 -0.000 0.000 0.294 233 M C -1.066 175.254 176.300 0.033 0.000 1.158 233 M CA -0.906 54.423 55.300 0.048 0.000 0.899 233 M CB 2.718 35.376 32.600 0.097 0.000 1.687 233 M HN -0.058 nan 8.290 nan 0.000 0.455 234 V N 0.890 120.824 119.914 0.034 0.000 2.540 234 V HA 0.771 4.891 4.120 -0.000 0.000 0.302 234 V C 0.023 176.132 176.094 0.026 0.000 1.035 234 V CA -0.593 61.721 62.300 0.024 0.000 0.873 234 V CB 1.579 33.414 31.823 0.019 0.000 0.992 234 V HN 1.006 nan 8.190 nan 0.000 0.428 235 T N 0.496 115.063 114.554 0.022 0.000 2.762 235 T HA 0.631 4.981 4.350 -0.000 0.000 0.272 235 T C 0.164 174.872 174.700 0.013 0.000 0.982 235 T CA -0.502 61.610 62.100 0.020 0.000 1.013 235 T CB 1.810 70.692 68.868 0.023 0.000 1.309 235 T HN 0.671 nan 8.240 nan 0.000 0.572 236 S N 0.181 115.888 115.700 0.011 0.000 2.632 236 S HA 0.395 4.865 4.470 -0.000 0.000 0.267 236 S C -1.808 172.797 174.600 0.007 0.000 1.276 236 S CA -1.533 56.671 58.200 0.007 0.000 0.998 236 S CB 0.326 63.530 63.200 0.006 0.000 0.953 236 S HN 0.570 nan 8.310 nan 0.000 0.547 237 P HA 0.127 nan 4.420 nan 0.000 0.233 237 P C 0.164 177.469 177.300 0.008 0.000 1.167 237 P CA 0.667 63.770 63.100 0.005 0.000 0.770 237 P CB 0.164 31.864 31.700 -0.001 0.000 0.837 238 E N -1.172 119.032 120.200 0.008 0.000 2.473 238 E HA 0.240 4.590 4.350 -0.000 0.000 0.204 238 E C 0.860 177.466 176.600 0.010 0.000 0.994 238 E CA -0.183 56.222 56.400 0.009 0.000 0.945 238 E CB -0.427 29.277 29.700 0.006 0.000 0.990 238 E HN 0.071 nan 8.360 nan 0.000 0.493 239 A N 0.480 123.307 122.820 0.011 0.000 2.475 239 A HA 0.314 4.634 4.320 -0.000 0.000 0.239 239 A C 0.205 177.798 177.584 0.015 0.000 1.087 239 A CA 0.298 52.342 52.037 0.013 0.000 0.779 239 A CB 0.267 19.276 19.000 0.016 0.000 1.036 239 A HN 0.059 nan 8.150 nan 0.000 0.506 240 T N 1.434 115.997 114.554 0.015 0.000 2.864 240 T HA 0.487 4.837 4.350 -0.000 0.000 0.299 240 T C -0.669 174.041 174.700 0.017 0.000 1.011 240 T CA 0.001 62.111 62.100 0.016 0.000 0.975 240 T CB 0.236 69.111 68.868 0.013 0.000 0.962 240 T HN 0.385 nan 8.240 nan 0.000 0.448 241 I N 3.248 123.831 120.570 0.021 0.000 2.331 241 I HA 0.680 4.850 4.170 -0.000 0.000 0.292 241 I C 0.343 176.471 176.117 0.018 0.000 0.998 241 I CA -0.314 61.000 61.300 0.022 0.000 1.267 241 I CB 1.161 39.178 38.000 0.028 0.000 1.386 241 I HN 0.706 nan 8.210 nan 0.000 0.476 242 A N 7.392 130.219 122.820 0.013 0.000 2.422 242 A HA 0.911 5.231 4.320 -0.000 0.000 0.302 242 A C -0.863 176.719 177.584 -0.003 0.000 1.041 242 A CA -0.481 51.559 52.037 0.005 0.000 0.708 242 A CB 1.068 20.069 19.000 0.001 0.000 1.257 242 A HN 0.589 nan 8.150 nan 0.000 0.414 243 I N 1.308 121.873 120.570 -0.008 0.000 2.466 243 I HA 0.346 4.516 4.170 -0.000 0.000 0.289 243 I C -0.431 175.668 176.117 -0.030 0.000 1.026 243 I CA -0.301 60.985 61.300 -0.024 0.000 1.078 243 I CB 2.213 40.206 38.000 -0.012 0.000 1.249 243 I HN 0.683 nan 8.210 nan 0.000 0.429 244 E N 5.951 126.121 120.200 -0.049 0.000 2.092 244 E HA 0.391 4.741 4.350 -0.000 0.000 0.271 244 E C -0.961 175.610 176.600 -0.048 0.000 0.919 244 E CA -0.904 55.471 56.400 -0.043 0.000 0.760 244 E CB 1.865 31.539 29.700 -0.043 0.000 1.106 244 E HN 0.344 nan 8.360 nan 0.000 0.408 245 I N 3.240 123.792 120.570 -0.030 0.000 2.517 245 I HA -0.066 4.104 4.170 -0.000 0.000 0.285 245 I C 0.960 177.065 176.117 -0.019 0.000 1.106 245 I CA 0.278 61.566 61.300 -0.020 0.000 1.402 245 I CB 0.265 38.261 38.000 -0.007 0.000 1.399 245 I HN 0.501 nan 8.210 nan 0.000 0.535 246 E N 5.021 125.210 120.200 -0.019 0.000 2.534 246 E HA -0.088 4.262 4.350 -0.000 0.000 0.264 246 E C 0.692 177.286 176.600 -0.009 0.000 0.981 246 E CA 0.441 56.833 56.400 -0.014 0.000 0.948 246 E CB 0.714 30.411 29.700 -0.005 0.000 0.934 246 E HN 0.773 nan 8.360 nan 0.000 0.459 247 A N 4.105 126.917 122.820 -0.013 0.000 2.030 247 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 247 A C 0.760 178.331 177.584 -0.020 0.000 1.164 247 A CA 0.642 52.669 52.037 -0.016 0.000 0.697 247 A CB 0.196 19.185 19.000 -0.017 0.000 0.827 247 A HN 0.677 nan 8.150 nan 0.000 0.457 248 D N 0.190 120.581 120.400 -0.016 0.000 3.057 248 D HA 0.480 5.120 4.640 -0.000 0.000 0.246 248 D C 0.276 176.568 176.300 -0.013 0.000 1.238 248 D CA 0.860 54.848 54.000 -0.020 0.000 0.949 248 D CB 0.202 40.995 40.800 -0.012 0.000 1.086 248 D HN 0.453 nan 8.370 nan 0.000 0.487 249 G N -0.596 108.191 108.800 -0.023 0.000 2.550 249 G HA2 0.227 4.187 3.960 -0.000 0.000 0.293 249 G HA3 0.227 4.187 3.960 -0.000 0.000 0.293 249 G C -0.920 173.963 174.900 -0.028 0.000 1.402 249 G CA -0.864 44.245 45.100 0.016 0.000 0.784 249 G HN 0.141 nan 8.290 nan 0.000 0.482 250 H N -0.329 118.743 119.070 0.005 0.000 2.355 250 H HA 0.363 4.919 4.556 -0.000 0.000 0.367 250 H C 0.139 175.470 175.328 0.004 0.000 1.912 250 H CA 0.560 56.612 56.048 0.006 0.000 1.424 250 H CB 0.329 30.098 29.762 0.012 0.000 1.612 250 H HN 0.378 nan 8.280 nan 0.000 0.557 251 D N -1.268 119.218 120.400 0.143 0.000 2.466 251 D HA 0.622 5.262 4.640 -0.000 0.000 0.262 251 D C -0.372 175.970 176.300 0.070 0.000 1.177 251 D CA -0.320 53.722 54.000 0.071 0.000 1.035 251 D CB 0.972 41.799 40.800 0.044 0.000 1.105 251 D HN 0.645 nan 8.370 nan 0.000 0.551 252 A N -0.322 122.519 122.820 0.034 0.000 2.593 252 A HA 0.746 5.066 4.320 -0.000 0.000 0.290 252 A C -1.376 176.198 177.584 -0.017 0.000 1.126 252 A CA -0.593 51.461 52.037 0.028 0.000 0.695 252 A CB 0.931 19.950 19.000 0.031 0.000 1.290 252 A HN 0.424 nan 8.150 nan 0.000 0.414 253 L N -0.212 120.991 121.223 -0.034 0.000 2.286 253 L HA 0.823 5.163 4.340 -0.000 0.000 0.265 253 L C -0.944 175.786 176.870 -0.234 0.000 1.012 253 L CA -1.155 53.573 54.840 -0.186 0.000 0.818 253 L CB 2.090 43.981 42.059 -0.280 0.000 1.337 253 L HN 0.436 nan 8.230 nan 0.000 0.438 254 V N 0.823 120.479 119.914 -0.430 0.000 2.686 254 V HA 0.463 4.583 4.120 -0.000 0.000 0.306 254 V C -1.211 174.587 176.094 -0.494 0.000 1.065 254 V CA -0.461 61.666 62.300 -0.287 0.000 0.894 254 V CB 1.894 33.633 31.823 -0.141 0.000 1.004 254 V HN 0.375 nan 8.190 nan 0.000 0.424 255 F N 2.575 122.533 119.950 0.013 0.000 2.493 255 F HA 0.528 5.055 4.527 -0.000 0.000 0.329 255 F C 0.140 175.921 175.800 -0.032 0.000 1.126 255 F CA -0.523 57.475 58.000 -0.004 0.000 0.937 255 F CB 1.598 40.611 39.000 0.021 0.000 1.146 255 F HN 0.335 nan 8.300 nan 0.000 0.442 256 C N 3.103 122.437 119.300 0.057 0.000 2.251 256 C HA 0.364 4.824 4.460 -0.000 0.000 0.323 256 C C -0.296 174.630 174.990 -0.107 0.000 1.241 256 C CA -1.011 57.961 59.018 -0.078 0.000 1.601 256 C CB -0.521 27.076 27.740 -0.238 0.000 2.251 256 C HN 0.955 nan 8.230 nan 0.000 0.488 257 D N 2.086 122.451 120.400 -0.058 0.000 2.870 257 D HA -0.149 4.491 4.640 -0.000 0.000 0.228 257 D C 1.276 177.572 176.300 -0.007 0.000 1.147 257 D CA 2.102 56.074 54.000 -0.048 0.000 0.757 257 D CB -1.383 39.329 40.800 -0.147 0.000 1.091 257 D HN 1.267 nan 8.370 nan 0.000 0.429 258 G N -0.881 107.943 108.800 0.040 0.000 2.353 258 G HA2 -0.505 3.455 3.960 -0.000 0.000 0.258 258 G HA3 -0.505 3.455 3.960 -0.000 0.000 0.258 258 G C 1.242 176.165 174.900 0.038 0.000 1.013 258 G CA 1.133 46.241 45.100 0.014 0.000 0.622 258 G HN 0.559 nan 8.290 nan 0.000 0.535 259 R N 0.374 120.893 120.500 0.030 0.000 2.009 259 R HA 0.242 4.582 4.340 -0.000 0.000 0.213 259 R C 1.183 177.533 176.300 0.083 0.000 1.297 259 R CA 0.292 56.414 56.100 0.037 0.000 1.008 259 R CB -0.201 30.096 30.300 -0.005 0.000 0.852 259 R HN 0.341 nan 8.270 nan 0.000 0.475 260 R N 1.874 122.386 120.500 0.019 0.000 2.585 260 R HA -0.016 4.324 4.340 -0.000 0.000 0.275 260 R C 0.171 176.479 176.300 0.013 0.000 1.018 260 R CA 0.507 56.611 56.100 0.007 0.000 1.072 260 R CB 0.301 30.565 30.300 -0.061 0.000 0.953 260 R HN 0.405 nan 8.270 nan 0.000 0.419 261 E N 2.686 122.868 120.200 -0.030 0.000 2.370 261 E HA 0.610 4.960 4.350 -0.000 0.000 0.259 261 E C -1.176 175.321 176.600 -0.172 0.000 0.947 261 E CA -1.104 55.182 56.400 -0.190 0.000 0.809 261 E CB 1.540 31.128 29.700 -0.187 0.000 1.300 261 E HN 0.551 nan 8.360 nan 0.000 0.419 262 M N 1.609 121.060 119.600 -0.248 0.000 2.438 262 M HA 0.192 4.672 4.480 -0.000 0.000 0.215 262 M C -1.802 174.402 176.300 -0.160 0.000 0.924 262 M CA -0.793 54.418 55.300 -0.149 0.000 0.783 262 M CB 0.474 33.019 32.600 -0.092 0.000 2.350 262 M HN 0.381 nan 8.290 nan 0.000 0.448 263 L N 4.411 125.567 121.223 -0.111 0.000 2.490 263 L HA 0.382 4.722 4.340 -0.000 0.000 0.274 263 L C -0.966 175.868 176.870 -0.059 0.000 1.201 263 L CA 0.490 55.281 54.840 -0.082 0.000 0.869 263 L CB 0.531 42.563 42.059 -0.045 0.000 1.123 263 L HN 0.792 nan 8.230 nan 0.000 0.484 264 I N 7.285 127.826 120.570 -0.047 0.000 2.354 264 I HA 0.308 4.478 4.170 -0.000 0.000 0.286 264 I C -2.114 173.995 176.117 -0.013 0.000 1.007 264 I CA -2.471 58.812 61.300 -0.029 0.000 1.167 264 I CB 1.150 39.133 38.000 -0.028 0.000 1.320 264 I HN 0.395 nan 8.210 nan 0.000 0.458 265 P HA 0.117 nan 4.420 nan 0.000 0.271 265 P C 0.022 177.319 177.300 -0.006 0.000 1.226 265 P CA -0.181 62.915 63.100 -0.007 0.000 0.765 265 P CB 0.851 32.545 31.700 -0.009 0.000 0.835 266 A N 3.658 126.476 122.820 -0.004 0.000 2.642 266 A HA 0.247 4.567 4.320 -0.000 0.000 0.228 266 A C 1.596 179.174 177.584 -0.011 0.000 1.045 266 A CA 1.003 53.037 52.037 -0.005 0.000 0.760 266 A CB -1.457 17.534 19.000 -0.015 0.000 0.958 266 A HN 0.969 nan 8.150 nan 0.000 0.505 267 G N 0.974 109.767 108.800 -0.011 0.000 2.225 267 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.267 267 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.267 267 G C 0.432 175.324 174.900 -0.013 0.000 1.024 267 G CA 1.250 46.341 45.100 -0.014 0.000 0.784 267 G HN 2.250 nan 8.290 nan 0.000 0.507 268 S N -1.272 114.421 115.700 -0.012 0.000 2.786 268 S HA 0.909 5.379 4.470 -0.000 0.000 0.307 268 S C -0.116 174.476 174.600 -0.012 0.000 1.121 268 S CA -0.297 57.896 58.200 -0.011 0.000 0.975 268 S CB 1.857 65.051 63.200 -0.010 0.000 1.220 268 S HN 1.258 nan 8.310 nan 0.000 0.550 269 R N -0.113 120.381 120.500 -0.010 0.000 2.515 269 R HA 0.588 4.928 4.340 -0.000 0.000 0.291 269 R C -1.746 174.551 176.300 -0.006 0.000 1.046 269 R CA -0.856 55.237 56.100 -0.010 0.000 0.914 269 R CB 0.763 31.056 30.300 -0.012 0.000 1.191 269 R HN 0.490 nan 8.270 nan 0.000 0.435 270 L N 2.772 123.992 121.223 -0.006 0.000 2.456 270 L HA 0.235 4.575 4.340 -0.000 0.000 0.277 270 L C -0.725 176.148 176.870 0.005 0.000 1.124 270 L CA 0.633 55.473 54.840 -0.000 0.000 0.880 270 L CB 0.292 42.350 42.059 -0.001 0.000 1.192 270 L HN 0.703 nan 8.230 nan 0.000 0.463 271 E N 4.275 124.480 120.200 0.010 0.000 2.176 271 E HA 0.560 4.910 4.350 -0.000 0.000 0.267 271 E C -1.172 175.442 176.600 0.022 0.000 0.893 271 E CA -0.761 55.648 56.400 0.014 0.000 0.761 271 E CB 2.199 31.906 29.700 0.012 0.000 1.133 271 E HN 0.399 nan 8.360 nan 0.000 0.409 272 V N 2.296 122.225 119.914 0.025 0.000 2.680 272 V HA 0.645 4.765 4.120 -0.000 0.000 0.309 272 V C 0.074 176.188 176.094 0.033 0.000 1.052 272 V CA -0.556 61.765 62.300 0.034 0.000 0.908 272 V CB 1.872 33.716 31.823 0.034 0.000 1.001 272 V HN 0.944 nan 8.190 nan 0.000 0.431 273 T N 0.600 115.179 114.554 0.041 0.000 2.762 273 T HA 0.497 4.847 4.350 -0.000 0.000 0.301 273 T C -0.604 174.123 174.700 0.044 0.000 1.299 273 T CA -0.977 61.145 62.100 0.036 0.000 1.005 273 T CB 1.661 70.547 68.868 0.029 0.000 1.377 273 T HN 0.680 nan 8.240 nan 0.000 0.504 274 R N 0.452 120.974 120.500 0.036 0.000 2.404 274 R HA 0.377 4.716 4.340 -0.000 0.000 0.315 274 R C 0.188 176.513 176.300 0.041 0.000 1.032 274 R CA -0.518 55.605 56.100 0.038 0.000 0.992 274 R CB -0.445 29.869 30.300 0.024 0.000 0.959 274 R HN 0.792 nan 8.270 nan 0.000 0.428 275 C N 4.436 123.770 119.300 0.058 0.000 2.644 275 C HA 0.036 4.496 4.460 -0.000 0.000 0.417 275 C C 2.019 177.024 174.990 0.026 0.000 1.304 275 C CA -0.424 58.624 59.018 0.050 0.000 2.035 275 C CB 0.529 28.315 27.740 0.076 0.000 2.673 275 C HN 0.861 nan 8.230 nan 0.000 0.602 276 V N 4.952 124.873 119.914 0.012 0.000 3.041 276 V HA 0.091 4.211 4.120 -0.000 0.000 0.260 276 V C 1.128 177.218 176.094 -0.007 0.000 1.105 276 V CA 1.686 63.987 62.300 0.002 0.000 1.125 276 V CB -0.298 31.524 31.823 -0.001 0.000 0.730 276 V HN 0.999 nan 8.190 nan 0.000 0.479 277 T N 1.611 116.155 114.554 -0.017 0.000 2.853 277 T HA 0.424 4.774 4.350 -0.000 0.000 0.317 277 T C -0.017 174.663 174.700 -0.033 0.000 1.059 277 T CA -0.026 62.051 62.100 -0.039 0.000 0.954 277 T CB 1.007 69.827 68.868 -0.080 0.000 0.994 277 T HN 0.353 nan 8.240 nan 0.000 0.479 278 S N 1.983 117.677 115.700 -0.010 0.000 2.646 278 S HA 0.488 4.958 4.470 -0.000 0.000 0.276 278 S C 0.458 175.077 174.600 0.033 0.000 1.222 278 S CA -0.811 57.399 58.200 0.017 0.000 1.014 278 S CB 1.080 64.290 63.200 0.017 0.000 0.991 278 S HN 0.489 nan 8.310 nan 0.000 0.533 279 V N 3.094 123.066 119.914 0.095 0.000 2.530 279 V HA 0.163 4.283 4.120 -0.000 0.000 0.282 279 V C 0.394 176.642 176.094 0.258 0.000 1.048 279 V CA -0.204 62.203 62.300 0.178 0.000 0.997 279 V CB 0.371 32.395 31.823 0.335 0.000 0.987 279 V HN 0.699 nan 8.190 nan 0.000 0.477 280 K N 3.865 124.405 120.400 0.233 0.000 2.218 280 K HA 0.344 4.664 4.320 -0.000 0.000 0.276 280 K C -1.229 175.648 176.600 0.463 0.000 1.022 280 K CA -0.284 56.163 56.287 0.266 0.000 0.946 280 K CB 1.051 33.646 32.500 0.158 0.000 1.000 280 K HN 0.538 nan 8.250 nan 0.000 0.468 281 W N 0.632 121.997 121.300 0.108 0.000 2.739 281 W HA 0.394 5.054 4.660 -0.000 0.000 0.331 281 W C -0.624 175.998 176.519 0.172 0.000 1.049 281 W CA -0.651 56.785 57.345 0.152 0.000 1.234 281 W CB 1.657 31.217 29.460 0.167 0.000 1.404 281 W HN 0.594 nan 8.180 nan 0.000 0.477 282 A N 4.780 127.799 122.820 0.333 0.000 2.320 282 A HA 0.780 5.100 4.320 -0.000 0.000 0.287 282 A C 0.036 177.797 177.584 0.296 0.000 1.181 282 A CA -0.420 51.830 52.037 0.354 0.000 0.831 282 A CB 0.317 19.395 19.000 0.130 0.000 1.102 282 A HN 0.510 nan 8.150 nan 0.000 0.513 283 R N 0.590 121.269 120.500 0.299 0.000 2.828 283 R HA 0.828 5.168 4.340 -0.000 0.000 0.264 283 R C -1.049 175.334 176.300 0.139 0.000 1.022 283 R CA -0.676 55.552 56.100 0.213 0.000 1.021 283 R CB 1.329 31.742 30.300 0.189 0.000 1.163 283 R HN 0.883 nan 8.270 nan 0.000 0.494 284 L N -2.244 119.023 121.223 0.074 0.000 2.947 284 L HA 0.377 4.717 4.340 -0.000 0.000 0.267 284 L C -1.065 175.805 176.870 0.000 0.000 1.004 284 L CA -1.079 53.753 54.840 -0.015 0.000 0.937 284 L CB 0.547 42.546 42.059 -0.099 0.000 1.496 284 L HN 0.239 nan 8.230 nan 0.000 0.409 285 D N 2.177 122.562 120.400 -0.024 0.000 2.419 285 D HA 0.338 4.978 4.640 -0.000 0.000 0.281 285 D C 0.172 176.487 176.300 0.025 0.000 1.398 285 D CA 0.791 54.800 54.000 0.014 0.000 1.047 285 D CB 0.106 40.917 40.800 0.019 0.000 1.115 285 D HN 0.825 nan 8.370 nan 0.000 0.540 286 S N 0.182 115.907 115.700 0.041 0.000 2.709 286 S HA 0.770 5.240 4.470 -0.000 0.000 0.302 286 S C -0.236 174.391 174.600 0.045 0.000 1.127 286 S CA -1.145 57.079 58.200 0.041 0.000 0.905 286 S CB 1.719 64.948 63.200 0.048 0.000 1.151 286 S HN 0.322 nan 8.310 nan 0.000 0.510 287 A N 2.601 125.440 122.820 0.031 0.000 2.492 287 A HA 0.540 4.860 4.320 -0.000 0.000 0.254 287 A C -2.034 175.581 177.584 0.052 0.000 1.091 287 A CA -1.214 50.837 52.037 0.024 0.000 0.768 287 A CB -0.839 18.155 19.000 -0.010 0.000 1.028 287 A HN 0.689 nan 8.150 nan 0.000 0.498 288 P HA -0.038 nan 4.420 nan 0.000 0.269 288 P C 0.643 178.012 177.300 0.114 0.000 1.215 288 P CA -0.173 63.000 63.100 0.122 0.000 0.780 288 P CB 0.378 32.157 31.700 0.131 0.000 0.898 289 F N 2.677 122.625 119.950 -0.002 0.000 2.184 289 F HA -0.232 4.295 4.527 -0.000 0.000 0.301 289 F C 1.952 177.638 175.800 -0.190 0.000 1.076 289 F CA 2.302 60.222 58.000 -0.133 0.000 1.295 289 F CB -1.106 37.700 39.000 -0.322 0.000 1.026 289 F HN 0.226 nan 8.300 nan 0.000 0.494 290 T N 0.021 114.501 114.554 -0.123 0.000 2.788 290 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 290 T C 1.423 175.998 174.700 -0.207 0.000 1.044 290 T CA 1.682 63.716 62.100 -0.110 0.000 1.139 290 T CB -0.339 68.656 68.868 0.211 0.000 0.867 290 T HN 0.300 nan 8.240 nan 0.000 0.454 291 D N 0.956 121.267 120.400 -0.148 0.000 2.137 291 D HA 0.015 4.655 4.640 -0.000 0.000 0.202 291 D C 2.382 178.574 176.300 -0.180 0.000 0.970 291 D CA 0.709 54.626 54.000 -0.138 0.000 0.837 291 D CB -0.260 40.488 40.800 -0.086 0.000 0.981 291 D HN 0.341 nan 8.370 nan 0.000 0.475 292 R N 0.223 120.597 120.500 -0.209 0.000 2.105 292 R HA -0.116 4.224 4.340 -0.000 0.000 0.239 292 R C 2.240 178.385 176.300 -0.258 0.000 1.135 292 R CA 0.628 56.589 56.100 -0.232 0.000 0.967 292 R CB -0.433 29.785 30.300 -0.136 0.000 0.861 292 R HN 0.152 nan 8.270 nan 0.000 0.442 293 L N 0.667 121.696 121.223 -0.323 0.000 2.056 293 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 293 L C 2.057 178.924 176.870 -0.006 0.000 1.078 293 L CA 1.441 56.195 54.840 -0.142 0.000 0.749 293 L CB -0.104 41.610 42.059 -0.575 0.000 0.901 293 L HN -0.106 nan 8.230 nan 0.000 0.433 294 V N -0.565 119.290 119.914 -0.098 0.000 2.358 294 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 294 V C 2.701 178.764 176.094 -0.052 0.000 1.047 294 V CA 1.640 63.913 62.300 -0.046 0.000 1.035 294 V CB -0.664 31.113 31.823 -0.077 0.000 0.658 294 V HN 0.367 nan 8.190 nan 0.000 0.452 295 R N 0.996 121.426 120.500 -0.117 0.000 2.177 295 R HA -0.201 4.139 4.340 -0.000 0.000 0.221 295 R C 2.331 178.516 176.300 -0.190 0.000 1.110 295 R CA 2.144 58.156 56.100 -0.147 0.000 0.875 295 R CB -0.850 29.337 30.300 -0.189 0.000 0.810 295 R HN 0.414 nan 8.270 nan 0.000 0.437 296 K N -0.713 119.486 120.400 -0.335 0.000 2.163 296 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 296 K C 1.481 177.782 176.600 -0.499 0.000 1.048 296 K CA 2.038 58.011 56.287 -0.523 0.000 0.928 296 K CB -0.338 31.617 32.500 -0.908 0.000 0.716 296 K HN 0.259 nan 8.250 nan 0.000 0.459 297 F N -0.358 119.516 119.950 -0.126 0.000 2.720 297 F HA 0.368 4.895 4.527 -0.000 0.000 0.301 297 F C -0.092 175.674 175.800 -0.057 0.000 1.103 297 F CA -0.121 57.830 58.000 -0.081 0.000 1.291 297 F CB 0.309 39.267 39.000 -0.069 0.000 1.086 297 F HN -0.109 nan 8.300 nan 0.000 0.592 298 R N 1.423 121.970 120.500 0.078 0.000 2.873 298 R HA -0.144 4.195 4.340 -0.000 0.000 0.281 298 R C -1.471 174.866 176.300 0.062 0.000 0.933 298 R CA 0.045 56.169 56.100 0.041 0.000 0.712 298 R CB -1.867 28.449 30.300 0.026 0.000 1.780 298 R HN 0.196 nan 8.270 nan 0.000 0.488 299 L N 3.553 124.804 121.223 0.047 0.000 2.296 299 L HA 0.465 4.805 4.340 -0.000 0.000 0.286 299 L C -1.409 175.471 176.870 0.018 0.000 1.023 299 L CA -2.171 52.690 54.840 0.035 0.000 0.812 299 L CB 1.334 43.410 42.059 0.028 0.000 1.223 299 L HN 0.120 nan 8.230 nan 0.000 0.421 300 P HA -0.005 nan 4.420 nan 0.000 0.263 300 P C 0.304 177.619 177.300 0.024 0.000 1.247 300 P CA 0.025 63.139 63.100 0.024 0.000 0.876 300 P CB 0.868 32.584 31.700 0.027 0.000 0.928 301 V N 4.446 124.372 119.914 0.021 0.000 3.444 301 V HA 0.035 4.155 4.120 -0.000 0.000 0.308 301 V C 1.168 177.313 176.094 0.084 0.000 1.371 301 V CA -0.278 62.033 62.300 0.019 0.000 1.141 301 V CB -0.493 31.308 31.823 -0.036 0.000 1.037 301 V HN 0.406 nan 8.190 nan 0.000 0.433 302 I N 1.758 122.376 120.570 0.080 0.000 2.496 302 I HA 0.561 4.731 4.170 -0.000 0.000 0.285 302 I C 1.187 177.372 176.117 0.113 0.000 1.080 302 I CA 1.103 62.462 61.300 0.098 0.000 1.404 302 I CB 0.607 38.647 38.000 0.066 0.000 1.403 302 I HN 0.283 nan 8.210 nan 0.000 0.539 303 G N 5.567 114.447 108.800 0.134 0.000 2.211 303 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.201 303 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.201 303 G C -0.149 174.847 174.900 0.159 0.000 0.997 303 G CA -0.140 45.028 45.100 0.113 0.000 0.652 303 G HN 0.698 nan 8.290 nan 0.000 0.500 304 W N 3.090 124.399 121.300 0.015 0.000 2.210 304 W HA 0.630 5.290 4.660 -0.000 0.000 0.330 304 W C 1.258 177.786 176.519 0.014 0.000 1.334 304 W CA 0.239 57.594 57.345 0.017 0.000 1.227 304 W CB 0.557 30.029 29.460 0.021 0.000 1.178 304 W HN 0.207 nan 8.180 nan 0.000 0.560 305 R N 3.688 123.801 120.500 -0.646 0.000 2.064 305 R HA 0.576 4.916 4.340 -0.000 0.000 0.210 305 R C 0.855 176.438 176.300 -1.195 0.000 1.221 305 R CA 0.305 56.012 56.100 -0.656 0.000 1.055 305 R CB -0.580 29.514 30.300 -0.343 0.000 0.946 305 R HN 0.688 nan 8.270 nan 0.000 0.459 306 G N 1.179 109.259 108.800 -1.200 0.000 2.479 306 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.686 306 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.686 306 G C -1.502 173.222 174.900 -0.294 0.000 1.295 306 G CA -0.461 44.096 45.100 -0.905 0.000 0.922 306 G HN 0.220 nan 8.290 nan 0.000 0.582 307 K N 0.000 120.346 120.400 -0.090 0.000 2.780 307 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 307 K CA 0.000 56.270 56.287 -0.028 0.000 0.838 307 K CB 0.000 32.524 32.500 0.040 0.000 1.064 307 K HN 0.000 nan 8.250 nan 0.000 0.543