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 3dlx_1_A DATA FIRST_RESID 40 DATA SEQUENCE TKFYTDPVEA VKDIPDGATV LVGGFGLCGI PENLIDALLK TGVKGLTAVS DATA SEQUENCE NNAGVDNFGL GLLLRSKQIK RMVSSYVGEN AEFERQYLSG ELEVELTPQG DATA SEQUENCE TLAERIRAGG AGVPAFYTPT GYGTLVQEGG SPIKYNKDGS VAIASKPREV DATA SEQUENCE REFNGQHFIL EEAITGDFAL VKAWKADRAG NVIFRKSARN FNLPMCKAAE DATA SEQUENCE TTVVEVEEIV DIGAFAPEDI HIPQIYVHRL IKGEKYEKRI ERLSIRKXXX DATA SEQUENCE XXXXXXXPGD DVRERIIKRA ALEFEDGMYA NLGIGIPLLA SNFISPNITV DATA SEQUENCE HLQSENGVLG LGPYPRQHEA DADLINAGKE TVTILPGASF FSSDESFAMI DATA SEQUENCE RGGHVDLTML GAMQVSKYGD LANWMIPGKM VKGMGGAMDL VSSAKTKVVV DATA SEQUENCE TMEHSAKGNA HKIMEKCTLP LTGKQCVNRI ITEKAVFDVD KKKGLTLIEL DATA SEQUENCE WEGLTVDDVQ KSTGCDFAVS PKLMPMQQIA 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 40 T HA 0.000 nan 4.350 nan 0.000 0.228 40 T C 0.000 174.714 174.700 0.023 0.000 1.109 40 T CA 0.000 62.105 62.100 0.008 0.000 1.349 40 T CB 0.000 68.811 68.868 -0.096 0.000 0.612 41 K N 2.779 123.192 120.400 0.023 0.000 2.183 41 K HA 0.673 5.003 4.320 0.017 0.000 0.274 41 K C -1.150 175.419 176.600 -0.050 0.000 1.009 41 K CA -0.622 55.680 56.287 0.025 0.000 0.888 41 K CB 0.579 33.077 32.500 -0.003 0.000 1.078 41 K HN 0.374 nan 8.250 nan 0.000 0.459 42 F N 3.782 123.693 119.950 -0.064 0.000 2.404 42 F HA 0.332 4.869 4.527 0.017 0.000 0.339 42 F C -0.523 175.189 175.800 -0.147 0.000 1.105 42 F CA -0.169 57.833 58.000 0.004 0.000 1.087 42 F CB 0.779 39.777 39.000 -0.003 0.000 1.143 42 F HN 0.411 nan 8.300 nan 0.000 0.491 43 Y N -0.010 120.400 120.300 0.183 0.000 2.446 43 Y HA 0.313 4.873 4.550 0.017 0.000 0.345 43 Y C 1.075 177.046 175.900 0.118 0.000 0.984 43 Y CA -0.984 57.190 58.100 0.123 0.000 1.058 43 Y CB 1.967 40.475 38.460 0.080 0.000 1.220 43 Y HN 0.613 nan 8.280 nan 0.000 0.455 44 T N -3.241 111.454 114.554 0.235 0.000 3.037 44 T HA 0.025 4.385 4.350 0.017 0.000 0.252 44 T C 0.107 174.890 174.700 0.139 0.000 1.073 44 T CA 0.249 62.444 62.100 0.159 0.000 1.091 44 T CB 0.187 69.117 68.868 0.102 0.000 0.935 44 T HN 0.440 nan 8.240 nan 0.000 0.488 45 D N 3.005 123.505 120.400 0.167 0.000 2.412 45 D HA 0.262 4.912 4.640 0.017 0.000 0.224 45 D C -1.567 174.784 176.300 0.084 0.000 1.093 45 D CA -2.598 51.470 54.000 0.113 0.000 0.850 45 D CB 1.997 42.867 40.800 0.117 0.000 1.046 45 D HN 0.006 nan 8.370 nan 0.000 0.507 46 P HA -0.120 nan 4.420 nan 0.000 0.220 46 P C 1.559 178.819 177.300 -0.067 0.000 1.148 46 P CA 0.346 63.427 63.100 -0.032 0.000 0.803 46 P CB 0.560 32.245 31.700 -0.026 0.000 0.782 47 V N 0.832 120.723 119.914 -0.038 0.000 2.407 47 V HA -0.210 3.920 4.120 0.017 0.000 0.248 47 V C 2.782 178.844 176.094 -0.053 0.000 1.055 47 V CA 2.189 64.461 62.300 -0.047 0.000 1.049 47 V CB -1.332 30.476 31.823 -0.026 0.000 0.662 47 V HN 0.145 nan 8.190 nan 0.000 0.455 48 E N 0.999 121.190 120.200 -0.014 0.000 2.077 48 E HA -0.180 4.180 4.350 0.017 0.000 0.193 48 E C 2.083 178.600 176.600 -0.139 0.000 0.989 48 E CA 1.581 57.994 56.400 0.021 0.000 0.800 48 E CB -0.455 29.359 29.700 0.190 0.000 0.746 48 E HN 0.529 nan 8.360 nan 0.000 0.452 49 A N -0.009 122.557 122.820 -0.423 0.000 2.121 49 A HA -0.055 4.275 4.320 0.017 0.000 0.218 49 A C 1.975 179.370 177.584 -0.316 0.000 1.154 49 A CA 1.523 53.104 52.037 -0.760 0.000 0.679 49 A CB -0.285 18.214 19.000 -0.836 0.000 0.795 49 A HN 0.409 nan 8.150 nan 0.000 0.458 50 V N -3.894 115.890 119.914 -0.215 0.000 3.346 50 V HA 0.317 4.447 4.120 0.017 0.000 0.309 50 V C 1.332 177.292 176.094 -0.224 0.000 1.457 50 V CA 0.711 62.875 62.300 -0.226 0.000 1.069 50 V CB -0.326 31.373 31.823 -0.206 0.000 0.944 50 V HN 0.372 nan 8.190 nan 0.000 0.449 51 K N 2.222 122.541 120.400 -0.135 0.000 2.362 51 K HA -0.114 4.216 4.320 0.017 0.000 0.200 51 K C 1.372 177.925 176.600 -0.079 0.000 1.046 51 K CA 1.737 57.972 56.287 -0.087 0.000 0.952 51 K CB 0.092 32.574 32.500 -0.031 0.000 0.753 51 K HN 0.767 nan 8.250 nan 0.000 0.466 52 D N -0.192 120.158 120.400 -0.083 0.000 2.431 52 D HA 0.003 4.653 4.640 0.017 0.000 0.213 52 D C 0.225 176.472 176.300 -0.089 0.000 1.130 52 D CA -0.326 53.663 54.000 -0.017 0.000 0.834 52 D CB -0.243 40.615 40.800 0.096 0.000 0.985 52 D HN 0.148 nan 8.370 nan 0.000 0.504 53 I N 3.125 123.440 120.570 -0.426 0.000 2.752 53 I HA 0.043 4.223 4.170 0.017 0.000 0.286 53 I C -1.776 174.227 176.117 -0.189 0.000 1.180 53 I CA -1.033 59.903 61.300 -0.607 0.000 1.404 53 I CB 0.103 37.619 38.000 -0.806 0.000 1.389 53 I HN -0.113 nan 8.210 nan 0.000 0.549 54 P HA 0.161 nan 4.420 nan 0.000 0.277 54 P C -0.818 176.473 177.300 -0.014 0.000 1.240 54 P CA -0.533 62.566 63.100 -0.003 0.000 0.798 54 P CB 0.707 32.438 31.700 0.052 0.000 0.979 55 D N 0.470 120.862 120.400 -0.013 0.000 2.506 55 D HA 0.227 4.877 4.640 0.017 0.000 0.234 55 D C 1.661 177.964 176.300 0.005 0.000 1.143 55 D CA 2.083 56.077 54.000 -0.010 0.000 0.871 55 D CB -0.279 40.517 40.800 -0.008 0.000 1.190 55 D HN 0.721 nan 8.370 nan 0.000 0.459 56 G N 0.776 109.579 108.800 0.005 0.000 2.205 56 G HA2 -0.214 3.756 3.960 0.017 0.000 0.261 56 G HA3 -0.214 3.756 3.960 0.017 0.000 0.261 56 G C 0.571 175.488 174.900 0.028 0.000 0.980 56 G CA 0.383 45.491 45.100 0.015 0.000 0.632 56 G HN 0.895 nan 8.290 nan 0.000 0.533 57 A N 0.172 123.014 122.820 0.037 0.000 2.507 57 A HA 0.555 4.885 4.320 0.017 0.000 0.235 57 A C 0.798 178.423 177.584 0.068 0.000 1.070 57 A CA 1.423 53.507 52.037 0.078 0.000 0.768 57 A CB 0.216 19.281 19.000 0.108 0.000 1.011 57 A HN 0.850 nan 8.150 nan 0.000 0.502 58 T N 1.993 116.599 114.554 0.087 0.000 2.728 58 T HA 0.464 4.824 4.350 0.017 0.000 0.296 58 T C -0.298 174.466 174.700 0.105 0.000 0.940 58 T CA -0.139 62.004 62.100 0.072 0.000 1.013 58 T CB 0.399 69.301 68.868 0.056 0.000 0.912 58 T HN 0.427 nan 8.240 nan 0.000 0.484 59 V N 5.610 125.571 119.914 0.079 0.000 2.448 59 V HA 0.402 4.532 4.120 0.017 0.000 0.295 59 V C -0.037 176.094 176.094 0.061 0.000 1.025 59 V CA -0.965 61.393 62.300 0.096 0.000 0.859 59 V CB 1.571 33.429 31.823 0.058 0.000 0.988 59 V HN 0.749 nan 8.190 nan 0.000 0.431 60 L N 5.377 126.646 121.223 0.077 0.000 2.265 60 L HA 0.577 4.927 4.340 0.017 0.000 0.288 60 L C -0.613 176.286 176.870 0.048 0.000 1.058 60 L CA -0.522 54.350 54.840 0.053 0.000 0.809 60 L CB 1.376 43.475 42.059 0.066 0.000 1.179 60 L HN 0.369 nan 8.230 nan 0.000 0.429 61 V N 2.490 122.413 119.914 0.015 0.000 2.407 61 V HA 0.447 4.577 4.120 0.017 0.000 0.291 61 V C 0.777 176.881 176.094 0.016 0.000 1.018 61 V CA -0.648 61.659 62.300 0.012 0.000 0.842 61 V CB 1.380 33.192 31.823 -0.017 0.000 0.996 61 V HN 0.889 nan 8.190 nan 0.000 0.426 62 G N 2.540 111.378 108.800 0.063 0.000 2.667 62 G HA2 0.593 4.563 3.960 0.017 0.000 0.250 62 G HA3 0.593 4.563 3.960 0.017 0.000 0.250 62 G C 0.295 175.254 174.900 0.099 0.000 1.212 62 G CA 0.419 45.582 45.100 0.106 0.000 0.874 62 G HN 1.683 nan 8.290 nan 0.000 0.561 63 G N -1.669 107.229 108.800 0.164 0.000 2.525 63 G HA2 0.377 4.347 3.960 0.017 0.000 0.685 63 G HA3 0.377 4.347 3.960 0.017 0.000 0.685 63 G C -1.178 173.865 174.900 0.238 0.000 1.285 63 G CA -0.393 44.814 45.100 0.178 0.000 0.849 63 G HN 1.384 nan 8.290 nan 0.000 0.653 64 F N 2.441 122.464 119.950 0.122 0.000 2.539 64 F HA 0.619 5.155 4.527 0.016 0.000 0.328 64 F C 0.989 176.847 175.800 0.097 0.000 1.148 64 F CA 1.397 59.480 58.000 0.138 0.000 0.940 64 F CB 1.288 40.389 39.000 0.168 0.000 1.194 64 F HN 2.281 nan 8.300 nan 0.000 0.438 65 G N 5.010 113.617 108.800 -0.323 0.000 2.583 65 G HA2 -0.318 3.652 3.960 0.017 0.000 0.292 65 G HA3 -0.318 3.652 3.960 0.017 0.000 0.292 65 G C 0.346 175.277 174.900 0.051 0.000 1.203 65 G CA 0.247 45.281 45.100 -0.110 0.000 0.987 65 G HN 0.814 nan 8.290 nan 0.000 0.554 66 L N 0.338 121.633 121.223 0.120 0.000 2.653 66 L HA 0.294 4.644 4.340 0.017 0.000 0.231 66 L C 1.280 178.273 176.870 0.204 0.000 1.153 66 L CA -0.226 54.734 54.840 0.200 0.000 0.933 66 L CB 0.248 42.425 42.059 0.197 0.000 1.175 66 L HN 0.522 nan 8.230 nan 0.000 0.473 67 C N 1.428 120.840 119.300 0.187 0.000 2.325 67 C HA 0.569 5.039 4.460 0.017 0.000 0.347 67 C C 1.571 176.658 174.990 0.161 0.000 1.263 67 C CA 0.118 59.234 59.018 0.163 0.000 1.806 67 C CB -0.704 27.141 27.740 0.176 0.000 2.405 67 C HN 0.828 nan 8.230 nan 0.000 0.537 68 G N 6.949 115.828 108.800 0.132 0.000 2.272 68 G HA2 -0.171 3.799 3.960 0.017 0.000 0.280 68 G HA3 -0.171 3.799 3.960 0.017 0.000 0.280 68 G C -0.149 174.846 174.900 0.158 0.000 1.067 68 G CA -0.086 45.097 45.100 0.140 0.000 0.902 68 G HN 0.728 nan 8.290 nan 0.000 0.500 69 I N 1.424 122.093 120.570 0.165 0.000 2.395 69 I HA 0.234 4.414 4.170 0.017 0.000 0.289 69 I C -1.573 174.614 176.117 0.116 0.000 1.023 69 I CA -2.539 58.830 61.300 0.116 0.000 1.350 69 I CB 1.192 39.250 38.000 0.097 0.000 1.409 69 I HN -0.011 nan 8.210 nan 0.000 0.507 70 P HA 0.118 nan 4.420 nan 0.000 0.244 70 P C 0.534 177.838 177.300 0.007 0.000 1.769 70 P CA -0.193 62.961 63.100 0.090 0.000 1.102 70 P CB -0.218 31.527 31.700 0.075 0.000 1.937 71 E N 1.947 122.148 120.200 0.003 0.000 2.204 71 E HA -0.181 4.179 4.350 0.017 0.000 0.194 71 E C 0.966 177.480 176.600 -0.144 0.000 0.989 71 E CA 0.771 57.082 56.400 -0.148 0.000 0.824 71 E CB -0.444 29.170 29.700 -0.143 0.000 0.756 71 E HN 0.285 nan 8.360 nan 0.000 0.477 72 N N 0.719 119.345 118.700 -0.123 0.000 2.354 72 N HA 0.004 4.754 4.740 0.017 0.000 0.179 72 N C 1.988 177.450 175.510 -0.080 0.000 1.021 72 N CA 0.685 53.657 53.050 -0.130 0.000 0.887 72 N CB 0.106 38.495 38.487 -0.162 0.000 0.974 72 N HN 0.261 nan 8.380 nan 0.000 0.437 73 L N 0.769 121.960 121.223 -0.053 0.000 2.131 73 L HA 0.026 4.376 4.340 0.017 0.000 0.206 73 L C 2.183 179.010 176.870 -0.071 0.000 1.087 73 L CA 0.544 55.354 54.840 -0.051 0.000 0.767 73 L CB -0.210 41.837 42.059 -0.020 0.000 0.917 73 L HN 0.038 nan 8.230 nan 0.000 0.441 74 I N 0.158 120.677 120.570 -0.084 0.000 2.226 74 I HA -0.318 3.862 4.170 0.017 0.000 0.245 74 I C 2.121 178.180 176.117 -0.097 0.000 1.100 74 I CA 1.589 62.828 61.300 -0.101 0.000 1.374 74 I CB -0.229 37.686 38.000 -0.142 0.000 1.057 74 I HN 0.276 nan 8.210 nan 0.000 0.413 75 D N 0.752 121.091 120.400 -0.100 0.000 2.144 75 D HA -0.176 4.474 4.640 0.017 0.000 0.199 75 D C 2.183 178.443 176.300 -0.067 0.000 0.984 75 D CA 1.356 55.307 54.000 -0.081 0.000 0.834 75 D CB 0.100 40.852 40.800 -0.080 0.000 0.955 75 D HN 0.317 nan 8.370 nan 0.000 0.465 76 A N -0.343 122.435 122.820 -0.070 0.000 1.933 76 A HA -0.083 4.247 4.320 0.017 0.000 0.218 76 A C 2.010 179.549 177.584 -0.075 0.000 1.175 76 A CA 0.908 52.904 52.037 -0.068 0.000 0.628 76 A CB -0.589 18.367 19.000 -0.073 0.000 0.814 76 A HN 0.295 nan 8.150 nan 0.000 0.444 77 L N -0.457 120.716 121.223 -0.083 0.000 2.156 77 L HA -0.054 4.296 4.340 0.017 0.000 0.208 77 L C 2.350 179.180 176.870 -0.068 0.000 1.095 77 L CA 1.060 55.849 54.840 -0.086 0.000 0.770 77 L CB -0.591 41.413 42.059 -0.092 0.000 0.914 77 L HN 0.343 nan 8.230 nan 0.000 0.439 78 L N -0.888 120.299 121.223 -0.060 0.000 2.083 78 L HA -0.215 4.135 4.340 0.017 0.000 0.209 78 L C 2.490 179.336 176.870 -0.040 0.000 1.083 78 L CA 1.212 56.024 54.840 -0.046 0.000 0.752 78 L CB -0.540 41.493 42.059 -0.043 0.000 0.899 78 L HN 0.254 nan 8.230 nan 0.000 0.433 79 K N -0.377 119.998 120.400 -0.042 0.000 2.097 79 K HA -0.126 4.204 4.320 0.017 0.000 0.205 79 K C 2.136 178.715 176.600 -0.036 0.000 1.050 79 K CA 1.907 58.173 56.287 -0.035 0.000 0.938 79 K CB -0.342 32.138 32.500 -0.033 0.000 0.718 79 K HN 0.471 nan 8.250 nan 0.000 0.442 80 T N -2.499 112.026 114.554 -0.048 0.000 3.014 80 T HA 0.063 4.423 4.350 0.017 0.000 0.263 80 T C 1.567 176.240 174.700 -0.045 0.000 1.078 80 T CA 0.868 62.938 62.100 -0.050 0.000 1.135 80 T CB -0.088 68.738 68.868 -0.070 0.000 0.895 80 T HN 0.362 nan 8.240 nan 0.000 0.480 81 G N 0.901 109.674 108.800 -0.045 0.000 2.153 81 G HA2 -0.241 3.729 3.960 0.017 0.000 0.252 81 G HA3 -0.241 3.729 3.960 0.017 0.000 0.252 81 G C 0.238 175.114 174.900 -0.041 0.000 0.994 81 G CA 0.164 45.242 45.100 -0.038 0.000 0.698 81 G HN 0.928 nan 8.290 nan 0.000 0.521 82 V N 1.338 121.219 119.914 -0.055 0.000 2.644 82 V HA 0.425 4.555 4.120 0.017 0.000 0.305 82 V C 0.952 177.018 176.094 -0.046 0.000 1.053 82 V CA 1.349 63.614 62.300 -0.059 0.000 1.186 82 V CB 0.455 32.222 31.823 -0.093 0.000 0.895 82 V HN 0.744 nan 8.190 nan 0.000 0.490 83 K N 4.825 125.205 120.400 -0.034 0.000 2.261 83 K HA 0.803 5.133 4.320 0.017 0.000 0.242 83 K C 0.783 177.373 176.600 -0.017 0.000 1.083 83 K CA -0.390 55.883 56.287 -0.024 0.000 0.880 83 K CB 1.340 33.829 32.500 -0.018 0.000 1.353 83 K HN 1.196 nan 8.250 nan 0.000 0.486 84 G N 0.129 108.923 108.800 -0.011 0.000 2.175 84 G HA2 -0.252 3.718 3.960 0.017 0.000 0.265 84 G HA3 -0.252 3.718 3.960 0.017 0.000 0.265 84 G C -0.003 174.896 174.900 -0.002 0.000 0.979 84 G CA 0.589 45.686 45.100 -0.005 0.000 0.663 84 G HN 0.373 nan 8.290 nan 0.000 0.533 85 L N 0.972 122.192 121.223 -0.006 0.000 2.485 85 L HA 0.323 4.673 4.340 0.017 0.000 0.275 85 L C 0.785 177.658 176.870 0.004 0.000 1.207 85 L CA 0.239 55.078 54.840 -0.002 0.000 0.855 85 L CB 0.530 42.582 42.059 -0.011 0.000 1.114 85 L HN 0.098 nan 8.230 nan 0.000 0.485 86 T N 2.452 117.013 114.554 0.011 0.000 2.738 86 T HA 0.470 4.830 4.350 0.017 0.000 0.298 86 T C 0.158 174.863 174.700 0.009 0.000 0.962 86 T CA -0.496 61.609 62.100 0.010 0.000 0.972 86 T CB 1.023 69.899 68.868 0.014 0.000 0.928 86 T HN 0.658 nan 8.240 nan 0.000 0.474 87 A N 3.764 126.583 122.820 -0.002 0.000 2.252 87 A HA 0.606 4.936 4.320 0.017 0.000 0.309 87 A C 0.012 177.579 177.584 -0.029 0.000 1.285 87 A CA -0.627 51.403 52.037 -0.012 0.000 0.900 87 A CB 0.407 19.396 19.000 -0.019 0.000 1.157 87 A HN 0.679 nan 8.150 nan 0.000 0.536 88 V N 2.986 122.883 119.914 -0.027 0.000 2.334 88 V HA 0.571 4.701 4.120 0.017 0.000 0.267 88 V C 0.369 176.409 176.094 -0.090 0.000 1.040 88 V CA 0.114 62.383 62.300 -0.051 0.000 0.866 88 V CB 0.603 32.414 31.823 -0.019 0.000 1.019 88 V HN 0.893 nan 8.190 nan 0.000 0.468 89 S N 3.599 119.206 115.700 -0.154 0.000 2.566 89 S HA 0.320 4.800 4.470 0.017 0.000 0.273 89 S C 0.647 175.054 174.600 -0.323 0.000 1.157 89 S CA -0.641 57.434 58.200 -0.208 0.000 0.938 89 S CB 1.562 64.677 63.200 -0.141 0.000 1.087 89 S HN 0.703 nan 8.310 nan 0.000 0.474 90 N N 4.141 122.533 118.700 -0.514 0.000 2.104 90 N HA -0.032 4.718 4.740 0.017 0.000 0.190 90 N C 0.273 175.591 175.510 -0.319 0.000 1.024 90 N CA 1.914 54.629 53.050 -0.559 0.000 0.853 90 N CB -0.085 37.970 38.487 -0.721 0.000 1.008 90 N HN 0.743 nan 8.380 nan 0.000 0.424 91 N N -2.396 116.139 118.700 -0.275 0.000 2.966 91 N HA 0.583 5.333 4.740 0.017 0.000 0.314 91 N C -1.089 174.267 175.510 -0.256 0.000 1.397 91 N CA -0.381 52.517 53.050 -0.252 0.000 0.776 91 N CB 1.378 39.741 38.487 -0.207 0.000 1.576 91 N HN 0.035 nan 8.380 nan 0.000 0.592 92 A N 0.055 122.692 122.820 -0.305 0.000 2.708 92 A HA 0.628 4.958 4.320 0.017 0.000 0.293 92 A C 1.001 178.509 177.584 -0.128 0.000 1.303 92 A CA 0.239 52.123 52.037 -0.256 0.000 0.949 92 A CB -1.270 17.443 19.000 -0.478 0.000 1.121 92 A HN 0.914 nan 8.150 nan 0.000 0.542 93 G N -0.454 108.293 108.800 -0.088 0.000 2.574 93 G HA2 -0.089 3.881 3.960 0.017 0.000 0.282 93 G HA3 -0.089 3.881 3.960 0.017 0.000 0.282 93 G C 0.486 175.396 174.900 0.016 0.000 1.257 93 G CA 1.061 46.158 45.100 -0.004 0.000 0.956 93 G HN 1.849 nan 8.290 nan 0.000 0.560 94 V N -3.440 116.522 119.914 0.079 0.000 3.182 94 V HA 0.791 4.921 4.120 0.017 0.000 0.311 94 V C 1.223 177.366 176.094 0.082 0.000 1.221 94 V CA 0.754 63.097 62.300 0.072 0.000 1.060 94 V CB 1.327 33.199 31.823 0.083 0.000 1.164 94 V HN 0.663 nan 8.190 nan 0.000 0.466 95 D N 1.539 121.983 120.400 0.073 0.000 2.158 95 D HA -0.157 4.493 4.640 0.017 0.000 0.197 95 D C 1.133 177.481 176.300 0.080 0.000 0.995 95 D CA 2.328 56.371 54.000 0.070 0.000 0.846 95 D CB -0.330 40.504 40.800 0.058 0.000 0.941 95 D HN 0.895 nan 8.370 nan 0.000 0.456 96 N N -0.767 117.998 118.700 0.109 0.000 2.328 96 N HA 0.135 4.885 4.740 0.017 0.000 0.247 96 N C -0.814 174.850 175.510 0.255 0.000 1.165 96 N CA -0.396 52.734 53.050 0.134 0.000 0.873 96 N CB -0.043 38.507 38.487 0.106 0.000 1.125 96 N HN 0.109 nan 8.380 nan 0.000 0.513 97 F N -0.762 119.193 119.950 0.008 0.000 2.708 97 F HA 0.539 5.077 4.527 0.017 0.000 0.309 97 F C 0.748 176.551 175.800 0.005 0.000 1.120 97 F CA 0.392 58.397 58.000 0.009 0.000 0.978 97 F CB 1.071 40.080 39.000 0.014 0.000 1.283 97 F HN 0.270 nan 8.300 nan 0.000 0.439 98 G N 3.039 111.528 108.800 -0.517 0.000 2.547 98 G HA2 -0.344 3.626 3.960 0.017 0.000 0.271 98 G HA3 -0.344 3.626 3.960 0.017 0.000 0.271 98 G C 0.505 175.309 174.900 -0.160 0.000 1.209 98 G CA 0.285 45.208 45.100 -0.295 0.000 0.959 98 G HN 1.229 nan 8.290 nan 0.000 0.563 99 L N 2.062 123.230 121.223 -0.092 0.000 2.191 99 L HA 0.225 4.575 4.340 0.017 0.000 0.212 99 L C 3.072 179.923 176.870 -0.032 0.000 1.103 99 L CA 2.930 57.731 54.840 -0.064 0.000 0.769 99 L CB -0.823 41.200 42.059 -0.061 0.000 0.908 99 L HN 1.045 nan 8.230 nan 0.000 0.438 100 G N -0.420 108.371 108.800 -0.015 0.000 2.507 100 G HA2 -0.292 3.678 3.960 0.017 0.000 0.221 100 G HA3 -0.292 3.678 3.960 0.017 0.000 0.221 100 G C 1.553 176.462 174.900 0.015 0.000 1.119 100 G CA 1.271 46.384 45.100 0.022 0.000 0.751 100 G HN 0.446 nan 8.290 nan 0.000 0.574 101 L N -0.403 120.810 121.223 -0.016 0.000 2.093 101 L HA 0.072 4.422 4.340 0.017 0.000 0.208 101 L C 2.690 179.548 176.870 -0.020 0.000 1.085 101 L CA 0.483 55.311 54.840 -0.020 0.000 0.755 101 L CB -0.239 41.788 42.059 -0.053 0.000 0.904 101 L HN 0.187 nan 8.230 nan 0.000 0.435 102 L N -0.998 120.209 121.223 -0.027 0.000 2.341 102 L HA -0.089 4.261 4.340 0.017 0.000 0.214 102 L C 2.290 179.157 176.870 -0.005 0.000 1.115 102 L CA 0.388 55.215 54.840 -0.023 0.000 0.820 102 L CB -0.222 41.817 42.059 -0.033 0.000 0.944 102 L HN 0.256 nan 8.230 nan 0.000 0.452 103 L N 0.068 121.298 121.223 0.011 0.000 2.044 103 L HA -0.197 4.153 4.340 0.017 0.000 0.205 103 L C 3.432 180.312 176.870 0.017 0.000 1.075 103 L CA 1.458 56.315 54.840 0.028 0.000 0.747 103 L CB -0.778 41.323 42.059 0.069 0.000 0.903 103 L HN 0.253 nan 8.230 nan 0.000 0.435 104 R N 0.432 120.943 120.500 0.017 0.000 2.091 104 R HA -0.162 4.188 4.340 0.017 0.000 0.238 104 R C 2.220 178.522 176.300 0.003 0.000 1.136 104 R CA 1.884 57.992 56.100 0.013 0.000 0.959 104 R CB -1.862 28.448 30.300 0.016 0.000 0.856 104 R HN 0.632 nan 8.270 nan 0.000 0.437 105 S N -0.572 115.127 115.700 -0.003 0.000 2.593 105 S HA 0.130 4.610 4.470 0.017 0.000 0.217 105 S C 0.198 174.793 174.600 -0.009 0.000 0.966 105 S CA 0.378 58.574 58.200 -0.008 0.000 0.914 105 S CB 0.246 63.438 63.200 -0.014 0.000 0.776 105 S HN 0.516 nan 8.310 nan 0.000 0.523 106 K N 0.515 120.911 120.400 -0.006 0.000 3.129 106 K HA -0.215 4.115 4.320 0.017 0.000 0.273 106 K C 0.245 176.839 176.600 -0.010 0.000 1.123 106 K CA 0.949 57.232 56.287 -0.007 0.000 0.800 106 K CB -2.580 29.915 32.500 -0.008 0.000 1.238 106 K HN 0.689 nan 8.250 nan 0.000 0.492 107 Q N -0.500 119.293 119.800 -0.013 0.000 2.392 107 Q HA 0.226 4.576 4.340 0.017 0.000 0.203 107 Q C 0.458 176.449 176.000 -0.014 0.000 0.917 107 Q CA 0.357 56.150 55.803 -0.018 0.000 0.939 107 Q CB 0.381 29.103 28.738 -0.027 0.000 1.063 107 Q HN 0.415 nan 8.270 nan 0.000 0.516 108 I N 0.892 121.457 120.570 -0.007 0.000 2.354 108 I HA 0.101 4.281 4.170 0.017 0.000 0.292 108 I C 0.885 177.002 176.117 -0.000 0.000 0.989 108 I CA -0.205 61.094 61.300 -0.002 0.000 1.188 108 I CB 1.519 39.523 38.000 0.006 0.000 1.342 108 I HN -0.064 nan 8.210 nan 0.000 0.457 109 K N 6.367 126.767 120.400 0.000 0.000 2.276 109 K HA 0.232 4.562 4.320 0.017 0.000 0.198 109 K C 0.695 177.298 176.600 0.004 0.000 1.052 109 K CA 0.294 56.582 56.287 0.001 0.000 0.984 109 K CB 0.652 33.153 32.500 0.002 0.000 0.836 109 K HN 0.590 nan 8.250 nan 0.000 0.490 110 R N 0.508 121.011 120.500 0.006 0.000 2.651 110 R HA 0.372 4.722 4.340 0.017 0.000 0.278 110 R C -1.517 174.787 176.300 0.006 0.000 1.010 110 R CA -0.585 55.518 56.100 0.006 0.000 0.896 110 R CB 1.583 31.886 30.300 0.005 0.000 1.211 110 R HN 0.036 nan 8.270 nan 0.000 0.456 111 M N 3.462 123.066 119.600 0.006 0.000 2.465 111 M HA 0.402 4.892 4.480 0.017 0.000 0.316 111 M C -1.144 175.140 176.300 -0.028 0.000 1.121 111 M CA -1.122 54.176 55.300 -0.004 0.000 0.934 111 M CB 2.505 35.125 32.600 0.034 0.000 1.692 111 M HN 0.268 nan 8.290 nan 0.000 0.444 112 V N 2.239 122.124 119.914 -0.047 0.000 2.325 112 V HA 0.544 4.674 4.120 0.017 0.000 0.280 112 V C -0.630 175.402 176.094 -0.103 0.000 1.016 112 V CA -0.299 61.966 62.300 -0.058 0.000 0.818 112 V CB 1.013 32.812 31.823 -0.040 0.000 1.019 112 V HN 0.962 nan 8.190 nan 0.000 0.434 113 S N 1.855 117.485 115.700 -0.117 0.000 2.638 113 S HA 0.450 4.930 4.470 0.017 0.000 0.274 113 S C 0.776 175.298 174.600 -0.130 0.000 1.157 113 S CA -0.047 58.053 58.200 -0.167 0.000 0.826 113 S CB 2.096 65.167 63.200 -0.215 0.000 1.139 113 S HN 0.779 nan 8.310 nan 0.000 0.474 114 S N -0.306 115.319 115.700 -0.124 0.000 2.492 114 S HA 0.260 4.740 4.470 0.017 0.000 0.218 114 S C -0.166 174.465 174.600 0.051 0.000 1.016 114 S CA 0.078 58.252 58.200 -0.043 0.000 0.916 114 S CB -0.101 63.090 63.200 -0.015 0.000 0.791 114 S HN 0.779 nan 8.310 nan 0.000 0.513 115 Y N 0.854 121.062 120.300 -0.153 0.000 2.333 115 Y HA 0.447 5.007 4.550 0.017 0.000 0.319 115 Y C -0.572 175.178 175.900 -0.249 0.000 1.200 115 Y CA -1.051 56.966 58.100 -0.138 0.000 1.084 115 Y CB 1.641 40.041 38.460 -0.101 0.000 1.268 115 Y HN 0.083 nan 8.280 nan 0.000 0.422 116 V N 2.735 122.077 119.914 -0.953 0.000 3.070 116 V HA 0.659 4.789 4.120 0.017 0.000 0.345 116 V C 0.733 176.276 176.094 -0.918 0.000 1.403 116 V CA 0.356 62.051 62.300 -1.007 0.000 1.155 116 V CB 0.070 31.073 31.823 -1.367 0.000 1.140 116 V HN 0.900 nan 8.190 nan 0.000 0.505 117 G N 0.104 108.232 108.800 -1.120 0.000 2.621 117 G HA2 0.507 4.477 3.960 0.017 0.000 0.271 117 G HA3 0.507 4.477 3.960 0.017 0.000 0.271 117 G C 0.211 174.983 174.900 -0.213 0.000 1.236 117 G CA 0.044 44.824 45.100 -0.534 0.000 0.958 117 G HN 0.521 nan 8.290 nan 0.000 0.512 118 E N -1.527 118.648 120.200 -0.041 0.000 2.637 118 E HA -0.176 4.184 4.350 0.017 0.000 0.265 118 E C -0.098 176.506 176.600 0.006 0.000 1.073 118 E CA 1.091 57.501 56.400 0.016 0.000 0.778 118 E CB -1.307 28.428 29.700 0.059 0.000 1.362 118 E HN 0.441 nan 8.360 nan 0.000 0.413 119 N N -1.044 117.662 118.700 0.010 0.000 2.621 119 N HA 0.477 5.227 4.740 0.017 0.000 0.271 119 N C 0.302 175.885 175.510 0.121 0.000 1.181 119 N CA 0.466 53.550 53.050 0.057 0.000 0.805 119 N CB 0.840 39.349 38.487 0.036 0.000 1.351 119 N HN 0.051 nan 8.380 nan 0.000 0.539 120 A N 2.057 124.929 122.820 0.088 0.000 2.067 120 A HA -0.106 4.224 4.320 0.017 0.000 0.219 120 A C 1.746 179.378 177.584 0.080 0.000 1.158 120 A CA 1.439 53.523 52.037 0.080 0.000 0.661 120 A CB -0.102 18.927 19.000 0.048 0.000 0.801 120 A HN 0.650 nan 8.150 nan 0.000 0.452 121 E N -0.687 119.566 120.200 0.088 0.000 2.112 121 E HA -0.099 4.261 4.350 0.017 0.000 0.190 121 E C 1.555 178.196 176.600 0.067 0.000 0.979 121 E CA 1.040 57.477 56.400 0.063 0.000 0.814 121 E CB -0.530 29.203 29.700 0.056 0.000 0.762 121 E HN 0.522 nan 8.360 nan 0.000 0.460 122 F N 1.867 121.819 119.950 0.002 0.000 2.091 122 F HA -0.226 4.311 4.527 0.017 0.000 0.299 122 F C 2.193 178.026 175.800 0.054 0.000 1.103 122 F CA 2.435 60.436 58.000 0.002 0.000 1.228 122 F CB -0.328 38.647 39.000 -0.041 0.000 0.984 122 F HN 0.212 nan 8.300 nan 0.000 0.477 123 E N 0.232 120.509 120.200 0.128 0.000 2.106 123 E HA -0.251 4.109 4.350 0.017 0.000 0.192 123 E C 2.538 179.115 176.600 -0.039 0.000 0.984 123 E CA 0.889 57.344 56.400 0.090 0.000 0.806 123 E CB -0.414 29.391 29.700 0.175 0.000 0.750 123 E HN 0.473 nan 8.360 nan 0.000 0.458 124 R N 0.281 120.761 120.500 -0.034 0.000 2.073 124 R HA -0.172 4.178 4.340 0.017 0.000 0.234 124 R C 2.406 178.658 176.300 -0.080 0.000 1.134 124 R CA 1.974 58.042 56.100 -0.054 0.000 0.952 124 R CB -0.080 30.203 30.300 -0.029 0.000 0.850 124 R HN 0.328 nan 8.270 nan 0.000 0.433 125 Q N -0.984 118.750 119.800 -0.109 0.000 2.079 125 Q HA -0.209 4.141 4.340 0.017 0.000 0.200 125 Q C 1.910 177.857 176.000 -0.089 0.000 0.974 125 Q CA 1.479 57.218 55.803 -0.107 0.000 0.840 125 Q CB -0.247 28.418 28.738 -0.122 0.000 0.898 125 Q HN 0.361 nan 8.270 nan 0.000 0.430 126 Y N 1.398 121.467 120.300 -0.386 0.000 2.114 126 Y HA -0.172 4.388 4.550 0.016 0.000 0.284 126 Y C 1.789 177.656 175.900 -0.056 0.000 1.143 126 Y CA 1.266 59.187 58.100 -0.297 0.000 1.135 126 Y CB -0.396 37.744 38.460 -0.533 0.000 0.980 126 Y HN 0.014 nan 8.280 nan 0.000 0.499 127 L N -0.173 120.938 121.223 -0.187 0.000 2.217 127 L HA -0.124 4.226 4.340 0.017 0.000 0.211 127 L C 2.396 179.122 176.870 -0.240 0.000 1.107 127 L CA 1.383 55.974 54.840 -0.415 0.000 0.783 127 L CB -0.720 41.111 42.059 -0.379 0.000 0.919 127 L HN 0.308 nan 8.230 nan 0.000 0.442 128 S N -0.891 114.739 115.700 -0.116 0.000 2.527 128 S HA 0.117 4.597 4.470 0.017 0.000 0.222 128 S C 1.519 176.108 174.600 -0.019 0.000 0.985 128 S CA 0.459 58.618 58.200 -0.068 0.000 0.921 128 S CB 0.433 63.600 63.200 -0.055 0.000 0.772 128 S HN 0.510 nan 8.310 nan 0.000 0.529 129 G N 0.907 109.718 108.800 0.018 0.000 2.131 129 G HA2 -0.216 3.754 3.960 0.017 0.000 0.223 129 G HA3 -0.216 3.754 3.960 0.017 0.000 0.223 129 G C 0.390 175.307 174.900 0.029 0.000 0.990 129 G CA 0.294 45.423 45.100 0.049 0.000 0.671 129 G HN 0.550 nan 8.290 nan 0.000 0.521 130 E N -1.335 118.873 120.200 0.013 0.000 2.250 130 E HA 0.270 4.630 4.350 0.017 0.000 0.192 130 E C 0.715 177.316 176.600 0.001 0.000 0.986 130 E CA 0.310 56.710 56.400 -0.000 0.000 0.849 130 E CB 0.463 30.153 29.700 -0.018 0.000 0.797 130 E HN 0.382 nan 8.360 nan 0.000 0.482 131 L N 1.456 122.685 121.223 0.010 0.000 2.365 131 L HA 0.289 4.639 4.340 0.017 0.000 0.273 131 L C -1.033 175.872 176.870 0.059 0.000 1.000 131 L CA -0.576 54.262 54.840 -0.004 0.000 0.819 131 L CB 1.777 43.772 42.059 -0.107 0.000 1.284 131 L HN -0.201 nan 8.230 nan 0.000 0.418 132 E N 3.522 123.743 120.200 0.035 0.000 2.227 132 E HA 0.554 4.914 4.350 0.017 0.000 0.282 132 E C -1.256 175.349 176.600 0.008 0.000 1.015 132 E CA -0.588 55.842 56.400 0.050 0.000 0.823 132 E CB 1.978 31.695 29.700 0.028 0.000 1.081 132 E HN 0.379 nan 8.360 nan 0.000 0.396 133 V N 3.361 123.274 119.914 -0.002 0.000 2.482 133 V HA 0.128 4.258 4.120 0.017 0.000 0.295 133 V C -0.559 175.523 176.094 -0.021 0.000 1.026 133 V CA -0.780 61.461 62.300 -0.099 0.000 0.856 133 V CB 1.540 33.080 31.823 -0.472 0.000 1.001 133 V HN 0.667 nan 8.190 nan 0.000 0.424 134 E N 5.294 125.485 120.200 -0.015 0.000 2.001 134 E HA 0.374 4.734 4.350 0.017 0.000 0.279 134 E C -0.792 175.802 176.600 -0.011 0.000 1.045 134 E CA -0.329 56.071 56.400 0.000 0.000 0.833 134 E CB 1.119 30.814 29.700 -0.008 0.000 1.077 134 E HN 0.548 nan 8.360 nan 0.000 0.397 135 L N 3.414 124.652 121.223 0.025 0.000 2.369 135 L HA 0.184 4.534 4.340 0.017 0.000 0.279 135 L C 0.121 176.971 176.870 -0.033 0.000 1.108 135 L CA 0.153 55.004 54.840 0.018 0.000 0.852 135 L CB 0.353 42.492 42.059 0.134 0.000 1.169 135 L HN 0.381 nan 8.230 nan 0.000 0.452 136 T N 3.989 118.503 114.554 -0.067 0.000 2.841 136 T HA 0.361 4.721 4.350 0.017 0.000 0.285 136 T C -2.509 172.127 174.700 -0.108 0.000 0.991 136 T CA -1.538 60.514 62.100 -0.080 0.000 0.966 136 T CB 1.966 70.800 68.868 -0.056 0.000 0.962 136 T HN 0.226 nan 8.240 nan 0.000 0.438 137 P HA 0.065 nan 4.420 nan 0.000 0.264 137 P C 0.825 178.027 177.300 -0.164 0.000 1.183 137 P CA 0.041 63.046 63.100 -0.158 0.000 0.763 137 P CB 0.638 32.248 31.700 -0.149 0.000 0.807 138 Q N 2.849 122.526 119.800 -0.205 0.000 2.096 138 Q HA -0.176 4.174 4.340 0.017 0.000 0.204 138 Q C 2.044 177.727 176.000 -0.529 0.000 0.982 138 Q CA 2.307 57.980 55.803 -0.217 0.000 0.850 138 Q CB -0.774 27.910 28.738 -0.089 0.000 0.901 138 Q HN 0.698 nan 8.270 nan 0.000 0.422 139 G N -1.105 107.031 108.800 -1.107 0.000 2.448 139 G HA2 -0.166 3.804 3.960 0.017 0.000 0.218 139 G HA3 -0.166 3.804 3.960 0.017 0.000 0.218 139 G C 1.258 176.020 174.900 -0.230 0.000 1.135 139 G CA 1.070 45.581 45.100 -0.982 0.000 0.784 139 G HN 0.329 nan 8.290 nan 0.000 0.543 140 T N 0.986 115.469 114.554 -0.119 0.000 2.770 140 T HA -0.052 4.308 4.350 0.017 0.000 0.263 140 T C 2.243 177.003 174.700 0.100 0.000 1.039 140 T CA 0.897 63.039 62.100 0.070 0.000 1.142 140 T CB -0.205 68.689 68.868 0.044 0.000 0.868 140 T HN 0.116 nan 8.240 nan 0.000 0.435 141 L N 1.718 122.968 121.223 0.046 0.000 1.990 141 L HA -0.105 4.245 4.340 0.017 0.000 0.213 141 L C 2.647 179.648 176.870 0.218 0.000 1.072 141 L CA 2.158 57.064 54.840 0.111 0.000 0.755 141 L CB -1.087 41.012 42.059 0.066 0.000 0.889 141 L HN 0.248 nan 8.230 nan 0.000 0.432 142 A N -0.960 122.007 122.820 0.245 0.000 1.873 142 A HA -0.306 4.024 4.320 0.017 0.000 0.218 142 A C 2.292 179.900 177.584 0.040 0.000 1.193 142 A CA 2.121 54.230 52.037 0.121 0.000 0.629 142 A CB -0.831 18.131 19.000 -0.063 0.000 0.826 142 A HN 0.554 nan 8.150 nan 0.000 0.447 143 E N -0.258 119.950 120.200 0.013 0.000 2.107 143 E HA -0.080 4.280 4.350 0.017 0.000 0.191 143 E C 2.160 178.754 176.600 -0.010 0.000 0.982 143 E CA 1.096 57.424 56.400 -0.120 0.000 0.809 143 E CB -0.215 29.298 29.700 -0.312 0.000 0.756 143 E HN 0.601 nan 8.360 nan 0.000 0.459 144 R N -0.177 120.488 120.500 0.274 0.000 2.096 144 R HA -0.058 4.292 4.340 0.017 0.000 0.235 144 R C 2.421 178.819 176.300 0.163 0.000 1.127 144 R CA 1.533 57.834 56.100 0.336 0.000 0.968 144 R CB -0.389 30.049 30.300 0.230 0.000 0.861 144 R HN 0.260 nan 8.270 nan 0.000 0.440 145 I N 0.256 120.896 120.570 0.118 0.000 2.202 145 I HA -0.271 3.909 4.170 0.017 0.000 0.242 145 I C 2.843 178.982 176.117 0.038 0.000 1.091 145 I CA 1.124 62.474 61.300 0.084 0.000 1.368 145 I CB -0.269 37.801 38.000 0.116 0.000 1.058 145 I HN 0.132 nan 8.210 nan 0.000 0.410 146 R N 1.220 121.721 120.500 0.002 0.000 2.083 146 R HA -0.225 4.125 4.340 0.017 0.000 0.237 146 R C 2.353 178.633 176.300 -0.033 0.000 1.137 146 R CA 1.820 57.891 56.100 -0.048 0.000 0.951 146 R CB -0.383 29.861 30.300 -0.093 0.000 0.851 146 R HN 0.379 nan 8.270 nan 0.000 0.434 147 A N 0.372 123.181 122.820 -0.019 0.000 1.903 147 A HA -0.172 4.158 4.320 0.017 0.000 0.219 147 A C 2.394 180.014 177.584 0.060 0.000 1.191 147 A CA 2.117 54.177 52.037 0.039 0.000 0.638 147 A CB -1.476 17.637 19.000 0.189 0.000 0.823 147 A HN 0.600 nan 8.150 nan 0.000 0.451 148 G N -0.860 107.980 108.800 0.068 0.000 2.476 148 G HA2 -0.043 3.927 3.960 0.017 0.000 0.218 148 G HA3 -0.043 3.927 3.960 0.017 0.000 0.218 148 G C 1.519 176.446 174.900 0.045 0.000 1.164 148 G CA 1.336 46.470 45.100 0.056 0.000 0.768 148 G HN 0.844 nan 8.290 nan 0.000 0.560 149 G N 0.353 109.170 108.800 0.027 0.000 2.484 149 G HA2 0.199 4.169 3.960 0.017 0.000 0.218 149 G HA3 0.199 4.169 3.960 0.017 0.000 0.218 149 G C 1.587 176.520 174.900 0.054 0.000 1.130 149 G CA 1.236 46.353 45.100 0.028 0.000 0.784 149 G HN 0.713 nan 8.290 nan 0.000 0.543 150 A N -0.535 122.307 122.820 0.036 0.000 2.308 150 A HA 0.513 4.843 4.320 0.017 0.000 0.217 150 A C 1.874 179.486 177.584 0.046 0.000 1.216 150 A CA 1.090 53.151 52.037 0.040 0.000 0.864 150 A CB -0.233 18.772 19.000 0.009 0.000 0.902 150 A HN 1.448 nan 8.150 nan 0.000 0.499 151 G N -1.103 107.727 108.800 0.050 0.000 2.143 151 G HA2 -0.192 3.778 3.960 0.017 0.000 0.248 151 G HA3 -0.192 3.778 3.960 0.017 0.000 0.248 151 G C 0.073 175.000 174.900 0.045 0.000 0.991 151 G CA 0.271 45.399 45.100 0.047 0.000 0.689 151 G HN 0.821 nan 8.290 nan 0.000 0.522 152 V N 1.942 121.888 119.914 0.052 0.000 2.333 152 V HA 0.346 4.476 4.120 0.017 0.000 0.274 152 V C -0.139 176.007 176.094 0.087 0.000 1.028 152 V CA -0.647 61.694 62.300 0.068 0.000 0.851 152 V CB 1.614 33.479 31.823 0.069 0.000 1.000 152 V HN 0.186 nan 8.190 nan 0.000 0.456 153 P HA 0.152 nan 4.420 nan 0.000 0.227 153 P C 0.201 177.517 177.300 0.026 0.000 1.161 153 P CA 0.713 63.839 63.100 0.043 0.000 0.788 153 P CB 0.811 32.525 31.700 0.024 0.000 0.822 154 A N -0.581 122.260 122.820 0.036 0.000 2.605 154 A HA 0.639 4.969 4.320 0.017 0.000 0.294 154 A C -1.487 176.101 177.584 0.006 0.000 1.062 154 A CA -0.648 51.343 52.037 -0.077 0.000 0.682 154 A CB 0.561 19.466 19.000 -0.159 0.000 1.278 154 A HN 0.094 nan 8.150 nan 0.000 0.410 155 F N -1.276 118.586 119.950 -0.147 0.000 2.662 155 F HA 0.835 5.372 4.527 0.016 0.000 0.312 155 F C -1.579 174.102 175.800 -0.199 0.000 1.113 155 F CA -1.378 56.554 58.000 -0.114 0.000 0.951 155 F CB 0.870 39.845 39.000 -0.042 0.000 1.344 155 F HN 0.484 nan 8.300 nan 0.000 0.462 156 Y N 0.378 120.756 120.300 0.130 0.000 2.323 156 Y HA 0.599 5.159 4.550 0.016 0.000 0.331 156 Y C 0.461 176.536 175.900 0.293 0.000 1.092 156 Y CA -0.484 57.678 58.100 0.103 0.000 1.150 156 Y CB 1.975 40.439 38.460 0.008 0.000 1.200 156 Y HN 0.871 nan 8.280 nan 0.000 0.472 157 T N 3.647 118.500 114.554 0.498 0.000 2.909 157 T HA 0.345 4.705 4.350 0.017 0.000 0.299 157 T C -2.294 172.722 174.700 0.527 0.000 1.073 157 T CA -2.477 59.939 62.100 0.526 0.000 0.999 157 T CB 1.726 70.850 68.868 0.427 0.000 1.098 157 T HN 0.388 nan 8.240 nan 0.000 0.477 158 P HA 0.130 nan 4.420 nan 0.000 0.231 158 P C 0.402 177.764 177.300 0.102 0.000 1.168 158 P CA 0.204 63.322 63.100 0.029 0.000 0.779 158 P CB -0.154 31.457 31.700 -0.148 0.000 0.844 159 T N 0.559 115.200 114.554 0.144 0.000 2.834 159 T HA 0.378 4.738 4.350 0.017 0.000 0.298 159 T C 1.419 176.166 174.700 0.078 0.000 0.966 159 T CA 1.168 63.326 62.100 0.098 0.000 1.141 159 T CB 0.112 69.031 68.868 0.086 0.000 0.905 159 T HN 0.332 nan 8.240 nan 0.000 0.535 160 G N 2.831 111.658 108.800 0.044 0.000 2.232 160 G HA2 -0.260 3.710 3.960 0.017 0.000 0.226 160 G HA3 -0.260 3.710 3.960 0.017 0.000 0.226 160 G C 0.055 174.981 174.900 0.044 0.000 0.996 160 G CA -0.220 44.887 45.100 0.012 0.000 0.626 160 G HN 0.800 nan 8.290 nan 0.000 0.509 161 Y N 1.717 122.022 120.300 0.007 0.000 2.717 161 Y HA 0.330 4.890 4.550 0.017 0.000 0.330 161 Y C 1.522 177.423 175.900 0.002 0.000 1.217 161 Y CA 1.528 59.633 58.100 0.008 0.000 1.506 161 Y CB 0.617 39.070 38.460 -0.012 0.000 1.268 161 Y HN 1.537 nan 8.280 nan 0.000 0.561 162 G N 3.191 111.429 108.800 -0.936 0.000 2.159 162 G HA2 -0.253 3.717 3.960 0.017 0.000 0.256 162 G HA3 -0.253 3.717 3.960 0.017 0.000 0.256 162 G C 0.131 174.883 174.900 -0.248 0.000 0.977 162 G CA 0.546 45.242 45.100 -0.674 0.000 0.652 162 G HN 1.257 nan 8.290 nan 0.000 0.531 163 T N -3.076 111.393 114.554 -0.142 0.000 2.858 163 T HA 0.702 5.062 4.350 0.017 0.000 0.285 163 T C 1.483 176.203 174.700 0.034 0.000 1.052 163 T CA -0.187 61.914 62.100 0.001 0.000 1.009 163 T CB 1.280 70.169 68.868 0.034 0.000 1.241 163 T HN 0.254 nan 8.240 nan 0.000 0.542 164 L N 0.810 122.115 121.223 0.138 0.000 2.191 164 L HA -0.060 4.290 4.340 0.017 0.000 0.212 164 L C 2.764 179.688 176.870 0.089 0.000 1.103 164 L CA 0.691 55.615 54.840 0.140 0.000 0.769 164 L CB -0.706 41.509 42.059 0.260 0.000 0.908 164 L HN 0.558 nan 8.230 nan 0.000 0.438 165 V N -0.352 119.591 119.914 0.050 0.000 2.295 165 V HA -0.316 3.814 4.120 0.017 0.000 0.246 165 V C 2.492 178.595 176.094 0.015 0.000 1.049 165 V CA 2.074 64.377 62.300 0.006 0.000 1.024 165 V CB -0.567 31.225 31.823 -0.052 0.000 0.648 165 V HN 0.554 nan 8.190 nan 0.000 0.447 166 Q N 0.071 119.879 119.800 0.014 0.000 2.096 166 Q HA -0.168 4.182 4.340 0.017 0.000 0.197 166 Q C 2.038 178.051 176.000 0.023 0.000 0.964 166 Q CA 1.666 57.488 55.803 0.031 0.000 0.838 166 Q CB 0.020 28.780 28.738 0.037 0.000 0.906 166 Q HN 0.765 nan 8.270 nan 0.000 0.444 167 E N -0.258 119.945 120.200 0.004 0.000 2.442 167 E HA 0.190 4.550 4.350 0.017 0.000 0.195 167 E C 0.735 177.346 176.600 0.018 0.000 1.030 167 E CA 0.371 56.774 56.400 0.005 0.000 0.869 167 E CB 0.378 30.070 29.700 -0.013 0.000 0.857 167 E HN 0.458 nan 8.360 nan 0.000 0.505 168 G N -0.041 108.775 108.800 0.028 0.000 2.756 168 G HA2 -0.045 3.925 3.960 0.017 0.000 0.678 168 G HA3 -0.045 3.925 3.960 0.017 0.000 0.678 168 G C 0.583 175.506 174.900 0.038 0.000 1.349 168 G CA -0.395 44.723 45.100 0.030 0.000 0.847 168 G HN 0.606 nan 8.290 nan 0.000 0.548 169 G N -1.904 106.917 108.800 0.034 0.000 2.179 169 G HA2 0.117 4.087 3.960 0.017 0.000 0.220 169 G HA3 0.117 4.087 3.960 0.017 0.000 0.220 169 G C 0.817 175.750 174.900 0.054 0.000 0.990 169 G CA 1.470 46.590 45.100 0.033 0.000 0.646 169 G HN 2.322 nan 8.290 nan 0.000 0.517 170 S N 2.515 118.269 115.700 0.089 0.000 2.531 170 S HA 0.558 5.038 4.470 0.017 0.000 0.279 170 S C -1.883 172.760 174.600 0.072 0.000 1.305 170 S CA -0.612 57.673 58.200 0.142 0.000 1.058 170 S CB 1.063 64.391 63.200 0.213 0.000 0.899 170 S HN 0.304 nan 8.310 nan 0.000 0.493 171 P HA 0.248 nan 4.420 nan 0.000 0.282 171 P C 0.149 177.454 177.300 0.008 0.000 1.262 171 P CA -0.157 62.873 63.100 -0.116 0.000 0.773 171 P CB 0.727 32.224 31.700 -0.339 0.000 0.879 172 I N 1.841 122.385 120.570 -0.043 0.000 3.172 172 I HA 0.171 4.351 4.170 0.017 0.000 0.278 172 I C 1.213 177.376 176.117 0.077 0.000 1.174 172 I CA 0.698 62.031 61.300 0.055 0.000 1.445 172 I CB 0.282 38.292 38.000 0.017 0.000 1.175 172 I HN 0.320 nan 8.210 nan 0.000 0.447 173 K N 0.246 120.585 120.400 -0.101 0.000 2.525 173 K HA 0.358 4.688 4.320 0.017 0.000 0.254 173 K C -1.848 174.594 176.600 -0.263 0.000 0.934 173 K CA -0.546 55.694 56.287 -0.078 0.000 0.802 173 K CB 2.110 34.602 32.500 -0.013 0.000 1.295 173 K HN -0.232 nan 8.250 nan 0.000 0.433 174 Y N 1.009 121.267 120.300 -0.071 0.000 2.403 174 Y HA 0.320 4.880 4.550 0.017 0.000 0.323 174 Y C 0.847 176.705 175.900 -0.070 0.000 1.226 174 Y CA -0.474 57.560 58.100 -0.110 0.000 1.235 174 Y CB 1.097 39.435 38.460 -0.203 0.000 1.248 174 Y HN 0.511 nan 8.280 nan 0.000 0.489 175 N N 0.726 119.495 118.700 0.114 0.000 2.493 175 N HA 0.141 4.891 4.740 0.017 0.000 0.275 175 N C 1.165 176.696 175.510 0.036 0.000 1.186 175 N CA 0.407 53.487 53.050 0.051 0.000 0.978 175 N CB 1.151 39.656 38.487 0.031 0.000 1.184 175 N HN 0.794 nan 8.380 nan 0.000 0.487 176 K N 0.921 121.327 120.400 0.010 0.000 2.077 176 K HA -0.203 4.127 4.320 0.017 0.000 0.213 176 K C 0.880 177.466 176.600 -0.023 0.000 1.051 176 K CA 2.324 58.604 56.287 -0.010 0.000 0.929 176 K CB -1.067 31.427 32.500 -0.011 0.000 0.715 176 K HN 0.812 nan 8.250 nan 0.000 0.451 177 D N -1.795 118.596 120.400 -0.015 0.000 2.352 177 D HA 0.187 4.837 4.640 0.017 0.000 0.232 177 D C 1.180 177.461 176.300 -0.031 0.000 1.055 177 D CA 0.744 54.730 54.000 -0.024 0.000 0.891 177 D CB -0.378 40.414 40.800 -0.015 0.000 0.897 177 D HN 0.815 nan 8.370 nan 0.000 0.529 178 G N 0.850 109.631 108.800 -0.032 0.000 2.179 178 G HA2 -0.312 3.658 3.960 0.017 0.000 0.260 178 G HA3 -0.312 3.658 3.960 0.017 0.000 0.260 178 G C 0.450 175.381 174.900 0.052 0.000 0.977 178 G CA 0.501 45.560 45.100 -0.069 0.000 0.641 178 G HN 0.702 nan 8.290 nan 0.000 0.533 179 S N -0.921 114.825 115.700 0.077 0.000 2.632 179 S HA 0.689 5.169 4.470 0.017 0.000 0.267 179 S C 0.387 175.071 174.600 0.140 0.000 1.276 179 S CA -0.259 57.997 58.200 0.094 0.000 0.998 179 S CB 2.315 65.536 63.200 0.035 0.000 0.953 179 S HN 0.993 nan 8.310 nan 0.000 0.547 180 V N 2.147 122.087 119.914 0.044 0.000 2.488 180 V HA 0.475 4.605 4.120 0.017 0.000 0.277 180 V C 1.223 177.271 176.094 -0.078 0.000 1.046 180 V CA 0.152 62.382 62.300 -0.116 0.000 0.986 180 V CB 0.356 32.063 31.823 -0.194 0.000 0.989 180 V HN 1.144 nan 8.190 nan 0.000 0.475 181 A N 5.676 128.440 122.820 -0.093 0.000 1.924 181 A HA 0.409 4.739 4.320 0.017 0.000 0.211 181 A C 0.751 178.301 177.584 -0.058 0.000 1.198 181 A CA 0.692 52.699 52.037 -0.051 0.000 0.657 181 A CB 0.131 19.113 19.000 -0.030 0.000 0.852 181 A HN 0.657 nan 8.150 nan 0.000 0.454 182 I N -0.133 120.385 120.570 -0.085 0.000 2.447 182 I HA 0.571 4.751 4.170 0.017 0.000 0.287 182 I C -0.264 175.805 176.117 -0.081 0.000 1.023 182 I CA -0.594 60.669 61.300 -0.062 0.000 1.083 182 I CB 1.934 39.911 38.000 -0.038 0.000 1.245 182 I HN 0.194 nan 8.210 nan 0.000 0.434 183 A N 4.156 126.945 122.820 -0.053 0.000 2.337 183 A HA 0.764 5.094 4.320 0.017 0.000 0.331 183 A C 0.089 177.667 177.584 -0.010 0.000 1.137 183 A CA -0.551 51.464 52.037 -0.037 0.000 0.807 183 A CB 1.499 20.480 19.000 -0.032 0.000 1.250 183 A HN 0.765 nan 8.150 nan 0.000 0.468 184 S N 0.979 116.684 115.700 0.008 0.000 2.579 184 S HA 0.366 4.846 4.470 0.017 0.000 0.275 184 S C -0.102 174.505 174.600 0.012 0.000 1.345 184 S CA -0.042 58.167 58.200 0.015 0.000 1.031 184 S CB 0.244 63.462 63.200 0.031 0.000 0.892 184 S HN 0.596 nan 8.310 nan 0.000 0.529 185 K N 1.581 121.986 120.400 0.008 0.000 2.087 185 K HA 0.502 4.832 4.320 0.017 0.000 0.255 185 K C -2.622 173.985 176.600 0.012 0.000 0.988 185 K CA -2.178 54.113 56.287 0.008 0.000 0.915 185 K CB 0.329 32.831 32.500 0.003 0.000 1.043 185 K HN 0.444 nan 8.250 nan 0.000 0.457 186 P HA 0.028 nan 4.420 nan 0.000 0.266 186 P C -0.772 176.542 177.300 0.023 0.000 1.195 186 P CA -0.021 63.092 63.100 0.022 0.000 0.768 186 P CB 0.560 32.274 31.700 0.024 0.000 0.838 187 R N 1.706 122.226 120.500 0.033 0.000 2.500 187 R HA 0.229 4.579 4.340 0.017 0.000 0.277 187 R C 0.465 176.804 176.300 0.065 0.000 1.026 187 R CA -0.727 55.393 56.100 0.034 0.000 1.058 187 R CB 0.424 30.748 30.300 0.040 0.000 1.078 187 R HN 0.569 nan 8.270 nan 0.000 0.509 188 E N 1.545 121.779 120.200 0.058 0.000 2.417 188 E HA 0.068 4.428 4.350 0.017 0.000 0.261 188 E C -0.897 175.816 176.600 0.189 0.000 1.000 188 E CA -0.029 56.434 56.400 0.104 0.000 0.919 188 E CB 0.708 30.460 29.700 0.087 0.000 0.955 188 E HN 0.107 nan 8.360 nan 0.000 0.455 189 V N 5.394 125.436 119.914 0.213 0.000 2.513 189 V HA 0.518 4.648 4.120 0.017 0.000 0.299 189 V C -0.103 176.130 176.094 0.232 0.000 1.035 189 V CA -0.583 61.883 62.300 0.277 0.000 0.889 189 V CB 1.757 33.755 31.823 0.292 0.000 0.988 189 V HN 0.708 nan 8.190 nan 0.000 0.440 190 R N 2.562 123.192 120.500 0.216 0.000 2.584 190 R HA 0.387 4.737 4.340 0.017 0.000 0.276 190 R C -0.931 175.227 176.300 -0.237 0.000 1.046 190 R CA -0.528 55.535 56.100 -0.060 0.000 0.906 190 R CB 1.844 32.041 30.300 -0.171 0.000 1.215 190 R HN 0.797 nan 8.270 nan 0.000 0.449 191 E N 4.145 124.034 120.200 -0.519 0.000 2.283 191 E HA 0.233 4.593 4.350 0.017 0.000 0.278 191 E C -1.384 174.797 176.600 -0.699 0.000 1.027 191 E CA -0.178 55.861 56.400 -0.603 0.000 0.843 191 E CB 0.693 29.974 29.700 -0.699 0.000 1.062 191 E HN 0.378 nan 8.360 nan 0.000 0.401 192 F N 2.290 122.195 119.950 -0.076 0.000 2.539 192 F HA 0.233 4.770 4.527 0.017 0.000 0.318 192 F C 0.341 176.144 175.800 0.006 0.000 1.135 192 F CA -0.813 57.118 58.000 -0.114 0.000 0.915 192 F CB 1.350 40.157 39.000 -0.321 0.000 1.176 192 F HN 0.571 nan 8.300 nan 0.000 0.440 193 N N 1.568 120.338 118.700 0.117 0.000 2.727 193 N HA -0.179 4.571 4.740 0.017 0.000 0.249 193 N C 0.951 176.503 175.510 0.070 0.000 1.048 193 N CA 0.726 53.827 53.050 0.085 0.000 0.714 193 N CB -0.911 37.641 38.487 0.109 0.000 0.959 193 N HN 1.239 nan 8.380 nan 0.000 0.544 194 G N -1.006 107.804 108.800 0.016 0.000 2.168 194 G HA2 -0.402 3.568 3.960 0.017 0.000 0.263 194 G HA3 -0.402 3.568 3.960 0.017 0.000 0.263 194 G C -0.107 174.798 174.900 0.009 0.000 0.977 194 G CA 0.865 45.966 45.100 0.002 0.000 0.659 194 G HN 0.683 nan 8.290 nan 0.000 0.533 195 Q N -0.499 119.325 119.800 0.040 0.000 2.348 195 Q HA 0.618 4.968 4.340 0.017 0.000 0.271 195 Q C -0.733 175.144 176.000 -0.206 0.000 1.067 195 Q CA -0.928 54.834 55.803 -0.067 0.000 0.839 195 Q CB 1.114 29.787 28.738 -0.109 0.000 1.354 195 Q HN 0.496 nan 8.270 nan 0.000 0.447 196 H N 1.507 120.252 119.070 -0.542 0.000 2.473 196 H HA 0.457 5.023 4.556 0.017 0.000 0.327 196 H C -1.205 173.707 175.328 -0.693 0.000 1.105 196 H CA 0.245 55.953 56.048 -0.568 0.000 1.280 196 H CB 0.672 29.846 29.762 -0.979 0.000 1.450 196 H HN 0.391 nan 8.280 nan 0.000 0.492 197 F N 1.748 121.732 119.950 0.058 0.000 2.620 197 F HA 0.447 4.984 4.527 0.017 0.000 0.320 197 F C -0.128 175.866 175.800 0.324 0.000 1.069 197 F CA -1.234 56.896 58.000 0.217 0.000 0.953 197 F CB 1.582 40.766 39.000 0.306 0.000 1.322 197 F HN 0.360 nan 8.300 nan 0.000 0.479 198 I N 0.739 121.607 120.570 0.496 0.000 2.603 198 I HA 0.645 4.825 4.170 0.017 0.000 0.300 198 I C -1.429 174.787 176.117 0.165 0.000 1.017 198 I CA -1.133 60.367 61.300 0.334 0.000 1.098 198 I CB 2.051 40.174 38.000 0.205 0.000 1.279 198 I HN 0.499 nan 8.210 nan 0.000 0.437 199 L N 5.049 126.231 121.223 -0.067 0.000 2.319 199 L HA 0.398 4.748 4.340 0.017 0.000 0.280 199 L C -0.270 176.351 176.870 -0.415 0.000 1.099 199 L CA 0.675 55.194 54.840 -0.535 0.000 0.828 199 L CB 0.277 41.981 42.059 -0.592 0.000 1.150 199 L HN 0.597 nan 8.230 nan 0.000 0.442 200 E N 4.551 124.359 120.200 -0.654 0.000 2.238 200 E HA 0.379 4.739 4.350 0.017 0.000 0.267 200 E C -1.019 175.210 176.600 -0.617 0.000 0.887 200 E CA -0.596 55.434 56.400 -0.616 0.000 0.769 200 E CB 1.845 31.099 29.700 -0.743 0.000 1.187 200 E HN 0.598 nan 8.360 nan 0.000 0.416 201 E N 0.611 120.622 120.200 -0.315 0.000 2.248 201 E HA 0.517 4.877 4.350 0.017 0.000 0.272 201 E C -0.400 176.168 176.600 -0.052 0.000 1.008 201 E CA -0.804 55.495 56.400 -0.169 0.000 0.856 201 E CB 1.686 31.326 29.700 -0.100 0.000 1.120 201 E HN 0.534 nan 8.360 nan 0.000 0.397 202 A N 2.663 125.501 122.820 0.029 0.000 2.507 202 A HA 0.147 4.477 4.320 0.017 0.000 0.235 202 A C -0.053 177.564 177.584 0.055 0.000 1.070 202 A CA 0.329 52.420 52.037 0.090 0.000 0.768 202 A CB 0.058 19.108 19.000 0.083 0.000 1.011 202 A HN 0.541 nan 8.150 nan 0.000 0.502 203 I N 1.530 122.141 120.570 0.069 0.000 2.389 203 I HA 0.383 4.563 4.170 0.017 0.000 0.288 203 I C 0.331 176.478 176.117 0.050 0.000 0.999 203 I CA -0.201 61.129 61.300 0.051 0.000 1.129 203 I CB 2.101 40.133 38.000 0.054 0.000 1.288 203 I HN 0.835 nan 8.210 nan 0.000 0.444 204 T N 1.863 116.441 114.554 0.040 0.000 2.924 204 T HA 0.794 5.154 4.350 0.017 0.000 0.291 204 T C -0.130 174.593 174.700 0.038 0.000 1.045 204 T CA -0.832 61.291 62.100 0.039 0.000 1.015 204 T CB 2.096 70.985 68.868 0.034 0.000 1.103 204 T HN 0.624 nan 8.240 nan 0.000 0.496 205 G N -0.104 108.720 108.800 0.040 0.000 2.489 205 G HA2 0.481 4.451 3.960 0.017 0.000 0.327 205 G HA3 0.481 4.451 3.960 0.017 0.000 0.327 205 G C 0.056 174.972 174.900 0.028 0.000 1.189 205 G CA -0.758 44.372 45.100 0.051 0.000 0.962 205 G HN 0.697 nan 8.290 nan 0.000 0.486 206 D N -0.580 119.857 120.400 0.062 0.000 2.123 206 D HA 0.011 4.661 4.640 0.017 0.000 0.200 206 D C -0.082 176.089 176.300 -0.216 0.000 0.976 206 D CA 1.397 55.400 54.000 0.004 0.000 0.831 206 D CB 0.128 41.047 40.800 0.198 0.000 0.974 206 D HN 0.180 nan 8.370 nan 0.000 0.469 207 F N -0.668 119.304 119.950 0.036 0.000 2.599 207 F HA 0.555 5.092 4.527 0.017 0.000 0.311 207 F C -0.348 175.476 175.800 0.040 0.000 1.076 207 F CA -1.204 56.821 58.000 0.041 0.000 0.937 207 F CB 1.993 41.005 39.000 0.021 0.000 1.282 207 F HN -0.294 nan 8.300 nan 0.000 0.460 208 A N 3.026 125.970 122.820 0.208 0.000 2.343 208 A HA 0.846 5.176 4.320 0.017 0.000 0.316 208 A C -1.517 176.152 177.584 0.141 0.000 1.104 208 A CA -0.606 51.515 52.037 0.140 0.000 0.768 208 A CB 0.867 19.924 19.000 0.095 0.000 1.213 208 A HN 0.741 nan 8.150 nan 0.000 0.456 209 L N 3.259 124.546 121.223 0.106 0.000 2.294 209 L HA 0.519 4.869 4.340 0.017 0.000 0.283 209 L C -0.950 175.974 176.870 0.091 0.000 1.015 209 L CA -0.729 54.161 54.840 0.084 0.000 0.831 209 L CB 1.368 43.454 42.059 0.045 0.000 1.217 209 L HN 0.405 nan 8.230 nan 0.000 0.420 210 V N 2.916 122.895 119.914 0.109 0.000 2.444 210 V HA 0.359 4.489 4.120 0.017 0.000 0.294 210 V C -0.029 176.165 176.094 0.167 0.000 1.022 210 V CA -0.811 61.579 62.300 0.151 0.000 0.850 210 V CB 2.024 33.947 31.823 0.166 0.000 0.992 210 V HN 0.533 nan 8.190 nan 0.000 0.426 211 K N 4.143 124.664 120.400 0.202 0.000 2.201 211 K HA 0.813 5.143 4.320 0.017 0.000 0.278 211 K C -0.320 176.433 176.600 0.255 0.000 1.027 211 K CA 0.136 56.548 56.287 0.209 0.000 0.909 211 K CB 1.243 33.866 32.500 0.204 0.000 1.062 211 K HN 0.869 nan 8.250 nan 0.000 0.465 212 A N 3.383 126.277 122.820 0.124 0.000 2.483 212 A HA 0.534 4.864 4.320 0.017 0.000 0.286 212 A C -0.508 177.103 177.584 0.045 0.000 1.207 212 A CA -0.730 51.281 52.037 -0.043 0.000 0.764 212 A CB 0.135 18.864 19.000 -0.451 0.000 1.341 212 A HN 0.888 nan 8.150 nan 0.000 0.428 213 W N 0.465 121.630 121.300 -0.224 0.000 2.633 213 W HA 0.346 5.016 4.660 0.018 0.000 0.295 213 W C 0.015 176.463 176.519 -0.118 0.000 1.133 213 W CA 1.012 58.262 57.345 -0.159 0.000 1.490 213 W CB 0.072 29.454 29.460 -0.130 0.000 1.127 213 W HN 0.536 nan 8.180 nan 0.000 0.538 214 K N -0.311 119.998 120.400 -0.151 0.000 2.482 214 K HA 0.644 4.974 4.320 0.017 0.000 0.257 214 K C -1.327 175.281 176.600 0.012 0.000 0.969 214 K CA -0.757 55.432 56.287 -0.163 0.000 0.842 214 K CB 2.257 34.560 32.500 -0.327 0.000 1.359 214 K HN -0.163 nan 8.250 nan 0.000 0.441 215 A N 1.488 124.381 122.820 0.121 0.000 2.414 215 A HA 0.476 4.806 4.320 0.017 0.000 0.306 215 A C -1.181 176.491 177.584 0.147 0.000 1.054 215 A CA -0.786 51.374 52.037 0.204 0.000 0.724 215 A CB 1.064 20.136 19.000 0.119 0.000 1.267 215 A HN 0.813 nan 8.150 nan 0.000 0.418 216 D N 0.397 120.841 120.400 0.074 0.000 2.411 216 D HA 0.228 4.878 4.640 0.017 0.000 0.251 216 D C 0.602 176.939 176.300 0.062 0.000 1.201 216 D CA -0.573 53.314 54.000 -0.189 0.000 0.996 216 D CB 0.496 40.999 40.800 -0.495 0.000 1.101 216 D HN 0.435 nan 8.370 nan 0.000 0.504 217 R N -0.425 120.065 120.500 -0.017 0.000 2.339 217 R HA 0.129 4.479 4.340 0.017 0.000 0.199 217 R C 1.321 177.709 176.300 0.146 0.000 1.018 217 R CA 0.645 56.757 56.100 0.019 0.000 1.036 217 R CB -0.180 30.015 30.300 -0.174 0.000 0.899 217 R HN 0.543 nan 8.270 nan 0.000 0.473 218 A N 0.132 123.027 122.820 0.125 0.000 2.132 218 A HA 0.218 4.548 4.320 0.017 0.000 0.213 218 A C 1.498 179.192 177.584 0.183 0.000 1.154 218 A CA 0.838 52.956 52.037 0.136 0.000 0.753 218 A CB 0.174 19.213 19.000 0.064 0.000 0.826 218 A HN 0.383 nan 8.150 nan 0.000 0.469 219 G N -0.564 108.363 108.800 0.212 0.000 2.144 219 G HA2 -0.206 3.764 3.960 0.017 0.000 0.218 219 G HA3 -0.206 3.764 3.960 0.017 0.000 0.218 219 G C -0.167 174.784 174.900 0.085 0.000 0.988 219 G CA -0.033 45.121 45.100 0.092 0.000 0.659 219 G HN 0.452 nan 8.290 nan 0.000 0.522 220 N N -0.197 118.590 118.700 0.144 0.000 2.479 220 N HA 0.420 5.170 4.740 0.017 0.000 0.257 220 N C -0.040 175.586 175.510 0.194 0.000 1.232 220 N CA 0.500 53.656 53.050 0.178 0.000 0.920 220 N CB 1.876 40.529 38.487 0.276 0.000 1.105 220 N HN 0.179 nan 8.380 nan 0.000 0.444 221 V N 2.185 122.103 119.914 0.006 0.000 2.841 221 V HA 0.531 4.661 4.120 0.017 0.000 0.310 221 V C 0.098 175.897 176.094 -0.492 0.000 1.090 221 V CA -0.867 61.314 62.300 -0.199 0.000 0.930 221 V CB 2.090 33.787 31.823 -0.209 0.000 1.014 221 V HN 0.550 nan 8.190 nan 0.000 0.425 222 I N 0.055 120.216 120.570 -0.681 0.000 2.846 222 I HA 0.788 4.968 4.170 0.017 0.000 0.307 222 I C -1.525 174.352 176.117 -0.399 0.000 1.053 222 I CA -0.645 60.259 61.300 -0.659 0.000 1.050 222 I CB 2.328 39.766 38.000 -0.936 0.000 1.239 222 I HN 0.386 nan 8.210 nan 0.000 0.439 223 F N 1.839 122.028 119.950 0.398 0.000 2.546 223 F HA 0.625 5.162 4.527 0.017 0.000 0.320 223 F C 0.131 176.055 175.800 0.207 0.000 1.076 223 F CA -0.668 57.491 58.000 0.265 0.000 0.928 223 F CB 1.850 40.921 39.000 0.117 0.000 1.189 223 F HN 0.446 nan 8.300 nan 0.000 0.465 224 R N 3.011 123.564 120.500 0.089 0.000 2.255 224 R HA 0.431 4.781 4.340 0.017 0.000 0.326 224 R C -0.142 175.839 176.300 -0.532 0.000 0.986 224 R CA -0.219 55.640 56.100 -0.401 0.000 0.847 224 R CB 0.592 30.287 30.300 -1.008 0.000 1.111 224 R HN 0.803 nan 8.270 nan 0.000 0.452 225 K N 0.436 120.339 120.400 -0.829 0.000 1.898 225 K HA -0.280 4.050 4.320 0.017 0.000 0.256 225 K C 0.607 176.411 176.600 -1.327 0.000 1.652 225 K CA 1.683 56.993 56.287 -1.629 0.000 0.589 225 K CB -1.283 30.651 32.500 -0.942 0.000 0.785 225 K HN 0.755 nan 8.250 nan 0.000 0.824 226 S N 0.227 115.435 115.700 -0.821 0.000 2.701 226 S HA 0.199 4.679 4.470 0.017 0.000 0.220 226 S C 1.350 175.796 174.600 -0.256 0.000 0.954 226 S CA 0.635 58.599 58.200 -0.392 0.000 0.936 226 S CB 0.337 63.410 63.200 -0.212 0.000 0.777 226 S HN 0.597 nan 8.310 nan 0.000 0.518 227 A N 1.485 124.163 122.820 -0.237 0.000 2.206 227 A HA 0.194 4.524 4.320 0.017 0.000 0.211 227 A C 2.140 179.707 177.584 -0.029 0.000 1.158 227 A CA 0.438 52.427 52.037 -0.079 0.000 0.761 227 A CB -0.509 18.451 19.000 -0.068 0.000 0.801 227 A HN 0.585 nan 8.150 nan 0.000 0.473 228 R N 0.852 121.259 120.500 -0.154 0.000 2.075 228 R HA -0.214 4.136 4.340 0.017 0.000 0.230 228 R C 1.702 177.781 176.300 -0.370 0.000 1.140 228 R CA 1.907 57.769 56.100 -0.397 0.000 0.928 228 R CB -0.498 29.555 30.300 -0.411 0.000 0.834 228 R HN 0.723 nan 8.270 nan 0.000 0.429 229 N N -0.997 117.542 118.700 -0.267 0.000 1.061 229 N HA -0.357 4.393 4.740 0.017 0.000 0.140 229 N C 0.894 176.265 175.510 -0.232 0.000 0.477 229 N CA 2.622 55.557 53.050 -0.192 0.000 0.925 229 N CB -1.503 37.015 38.487 0.052 0.000 1.473 229 N HN 0.233 nan 8.380 nan 0.000 0.510 230 F N -0.018 119.918 119.950 -0.024 0.000 2.615 230 F HA 0.227 4.764 4.527 0.016 0.000 0.297 230 F C 2.234 177.989 175.800 -0.076 0.000 1.124 230 F CA 0.287 58.272 58.000 -0.024 0.000 1.451 230 F CB -0.352 38.670 39.000 0.037 0.000 1.103 230 F HN 0.273 nan 8.300 nan 0.000 0.569 231 N N 0.832 119.560 118.700 0.046 0.000 2.091 231 N HA -0.236 4.514 4.740 0.017 0.000 0.193 231 N C 2.079 177.514 175.510 -0.125 0.000 1.021 231 N CA 1.459 54.510 53.050 0.001 0.000 0.862 231 N CB -0.614 37.915 38.487 0.071 0.000 1.018 231 N HN 0.345 nan 8.380 nan 0.000 0.429 232 L N 1.865 122.830 121.223 -0.430 0.000 1.976 232 L HA -0.069 4.281 4.340 0.017 0.000 0.209 232 L C -0.749 176.007 176.870 -0.190 0.000 1.071 232 L CA 1.575 56.183 54.840 -0.387 0.000 0.746 232 L CB -1.234 40.495 42.059 -0.550 0.000 0.890 232 L HN 0.114 nan 8.230 nan 0.000 0.432 233 P HA -0.187 nan 4.420 nan 0.000 0.218 233 P C 1.755 179.011 177.300 -0.073 0.000 1.149 233 P CA 1.742 64.764 63.100 -0.130 0.000 0.817 233 P CB -0.137 31.503 31.700 -0.099 0.000 0.785 234 M N -1.172 118.428 119.600 -0.001 0.000 2.279 234 M HA -0.118 4.372 4.480 0.017 0.000 0.264 234 M C 2.360 178.667 176.300 0.011 0.000 1.062 234 M CA 1.128 56.450 55.300 0.036 0.000 1.099 234 M CB -1.031 31.621 32.600 0.087 0.000 1.394 234 M HN 0.009 nan 8.290 nan 0.000 0.426 235 C N 1.044 120.336 119.300 -0.014 0.000 2.419 235 C HA -0.126 4.344 4.460 0.017 0.000 0.283 235 C C 2.334 177.259 174.990 -0.109 0.000 1.373 235 C CA 1.142 60.145 59.018 -0.026 0.000 1.781 235 C CB -0.796 26.954 27.740 0.017 0.000 1.886 235 C HN 0.454 nan 8.230 nan 0.000 0.520 236 K N -0.251 120.015 120.400 -0.223 0.000 2.367 236 K HA 0.211 4.541 4.320 0.017 0.000 0.194 236 K C 1.158 177.742 176.600 -0.027 0.000 1.027 236 K CA 0.699 56.818 56.287 -0.281 0.000 1.075 236 K CB 0.220 32.391 32.500 -0.548 0.000 0.845 236 K HN 0.351 nan 8.250 nan 0.000 0.529 237 A N 0.924 123.744 122.820 -0.001 0.000 2.564 237 A HA 0.541 4.871 4.320 0.017 0.000 0.279 237 A C 0.067 177.680 177.584 0.048 0.000 1.232 237 A CA -0.295 51.760 52.037 0.030 0.000 0.950 237 A CB 0.475 19.489 19.000 0.024 0.000 1.138 237 A HN 0.156 nan 8.150 nan 0.000 0.526 238 A N -1.563 121.294 122.820 0.062 0.000 2.454 238 A HA 0.694 5.024 4.320 0.017 0.000 0.302 238 A C 0.749 178.362 177.584 0.049 0.000 1.079 238 A CA 0.449 52.511 52.037 0.043 0.000 0.731 238 A CB 0.630 19.657 19.000 0.046 0.000 1.299 238 A HN 0.563 nan 8.150 nan 0.000 0.413 239 E N 0.164 120.333 120.200 -0.051 0.000 2.110 239 E HA 0.100 4.460 4.350 0.017 0.000 0.193 239 E C 0.604 177.110 176.600 -0.157 0.000 0.988 239 E CA 1.944 58.278 56.400 -0.110 0.000 0.804 239 E CB -0.349 29.243 29.700 -0.180 0.000 0.745 239 E HN 0.712 nan 8.360 nan 0.000 0.458 240 T N 1.324 115.741 114.554 -0.228 0.000 2.906 240 T HA 0.446 4.806 4.350 0.017 0.000 0.302 240 T C -0.463 174.301 174.700 0.106 0.000 1.002 240 T CA 0.037 62.088 62.100 -0.082 0.000 0.988 240 T CB 1.365 69.933 68.868 -0.501 0.000 0.972 240 T HN 0.398 nan 8.240 nan 0.000 0.447 241 T N 0.481 115.223 114.554 0.314 0.000 2.799 241 T HA 0.664 5.024 4.350 0.017 0.000 0.286 241 T C -0.122 174.640 174.700 0.103 0.000 0.973 241 T CA -0.706 61.454 62.100 0.099 0.000 1.035 241 T CB 0.817 69.639 68.868 -0.076 0.000 0.932 241 T HN 0.283 nan 8.240 nan 0.000 0.469 242 V N 3.961 123.943 119.914 0.112 0.000 2.378 242 V HA 0.480 4.610 4.120 0.017 0.000 0.288 242 V C -0.145 175.985 176.094 0.060 0.000 1.016 242 V CA -0.891 61.455 62.300 0.076 0.000 0.840 242 V CB 1.438 33.301 31.823 0.068 0.000 0.994 242 V HN 0.889 nan 8.190 nan 0.000 0.431 243 V N 5.087 125.024 119.914 0.038 0.000 2.435 243 V HA 0.473 4.603 4.120 0.017 0.000 0.290 243 V C 0.082 176.212 176.094 0.060 0.000 1.030 243 V CA -0.637 61.694 62.300 0.052 0.000 0.881 243 V CB 1.781 33.618 31.823 0.023 0.000 0.983 243 V HN 1.050 nan 8.190 nan 0.000 0.445 244 E N 4.594 124.854 120.200 0.100 0.000 2.179 244 E HA 0.732 5.092 4.350 0.017 0.000 0.275 244 E C -0.812 175.887 176.600 0.165 0.000 0.945 244 E CA -0.709 55.780 56.400 0.149 0.000 0.792 244 E CB 2.244 32.060 29.700 0.193 0.000 1.125 244 E HN 0.498 nan 8.360 nan 0.000 0.397 245 V N -0.026 119.988 119.914 0.167 0.000 3.126 245 V HA 0.384 4.514 4.120 0.017 0.000 0.314 245 V C 0.314 176.485 176.094 0.129 0.000 1.138 245 V CA -0.773 61.589 62.300 0.104 0.000 1.034 245 V CB 1.731 33.589 31.823 0.059 0.000 1.075 245 V HN 0.856 nan 8.190 nan 0.000 0.442 246 E N 0.162 120.374 120.200 0.019 0.000 2.364 246 E HA 0.258 4.618 4.350 0.017 0.000 0.196 246 E C 0.224 176.872 176.600 0.080 0.000 0.990 246 E CA 0.407 56.806 56.400 -0.001 0.000 0.886 246 E CB 0.724 30.359 29.700 -0.109 0.000 0.866 246 E HN 0.810 nan 8.360 nan 0.000 0.493 247 E N 0.697 120.919 120.200 0.037 0.000 2.335 247 E HA 0.328 4.688 4.350 0.017 0.000 0.280 247 E C -1.531 175.072 176.600 0.005 0.000 0.918 247 E CA -0.450 55.957 56.400 0.011 0.000 0.765 247 E CB 1.709 31.379 29.700 -0.049 0.000 1.218 247 E HN -0.059 nan 8.360 nan 0.000 0.425 248 I N 4.404 124.990 120.570 0.026 0.000 2.336 248 I HA 0.312 4.492 4.170 0.017 0.000 0.292 248 I C 0.121 176.207 176.117 -0.053 0.000 0.991 248 I CA -0.667 60.650 61.300 0.029 0.000 1.227 248 I CB 1.412 39.468 38.000 0.093 0.000 1.366 248 I HN 0.313 nan 8.210 nan 0.000 0.466 249 V N 1.942 121.785 119.914 -0.118 0.000 3.166 249 V HA 0.591 4.721 4.120 0.017 0.000 0.317 249 V C -0.410 175.542 176.094 -0.236 0.000 1.136 249 V CA -0.965 61.216 62.300 -0.198 0.000 1.035 249 V CB 1.696 33.352 31.823 -0.278 0.000 1.110 249 V HN 0.450 nan 8.190 nan 0.000 0.450 250 D N 0.961 121.222 120.400 -0.231 0.000 2.399 250 D HA 0.346 4.996 4.640 0.017 0.000 0.241 250 D C 0.352 176.489 176.300 -0.271 0.000 1.133 250 D CA 0.266 54.141 54.000 -0.209 0.000 0.890 250 D CB 0.855 41.558 40.800 -0.161 0.000 1.201 250 D HN 0.586 nan 8.370 nan 0.000 0.432 251 I N 1.265 121.715 120.570 -0.200 0.000 2.821 251 I HA -0.000 4.180 4.170 0.017 0.000 0.294 251 I C 1.687 177.704 176.117 -0.167 0.000 1.210 251 I CA 1.043 62.238 61.300 -0.176 0.000 1.430 251 I CB -0.008 37.932 38.000 -0.100 0.000 1.356 251 I HN 0.725 nan 8.210 nan 0.000 0.563 252 G N 4.257 112.950 108.800 -0.179 0.000 2.195 252 G HA2 -0.258 3.712 3.960 0.017 0.000 0.224 252 G HA3 -0.258 3.712 3.960 0.017 0.000 0.224 252 G C 0.970 175.777 174.900 -0.155 0.000 0.990 252 G CA 0.195 45.218 45.100 -0.127 0.000 0.639 252 G HN 0.840 nan 8.290 nan 0.000 0.514 253 A N -0.532 122.110 122.820 -0.297 0.000 2.168 253 A HA 0.587 4.917 4.320 0.017 0.000 0.215 253 A C 0.515 178.024 177.584 -0.125 0.000 1.152 253 A CA 0.895 52.763 52.037 -0.281 0.000 0.716 253 A CB -0.227 18.522 19.000 -0.419 0.000 0.794 253 A HN 0.606 nan 8.150 nan 0.000 0.465 254 F N -0.209 119.691 119.950 -0.083 0.000 2.458 254 F HA 0.650 5.187 4.527 0.017 0.000 0.336 254 F C 0.659 176.429 175.800 -0.050 0.000 1.114 254 F CA -1.927 56.022 58.000 -0.085 0.000 0.987 254 F CB 0.784 39.721 39.000 -0.105 0.000 1.130 254 F HN 0.106 nan 8.300 nan 0.000 0.458 255 A N 5.432 128.341 122.820 0.149 0.000 2.540 255 A HA 0.296 4.626 4.320 0.017 0.000 0.239 255 A C -1.359 176.279 177.584 0.090 0.000 1.061 255 A CA -0.838 51.251 52.037 0.086 0.000 0.758 255 A CB -0.219 18.819 19.000 0.064 0.000 0.991 255 A HN 0.593 nan 8.150 nan 0.000 0.502 256 P HA -0.122 nan 4.420 nan 0.000 0.220 256 P C 0.614 177.949 177.300 0.058 0.000 1.148 256 P CA 1.215 64.354 63.100 0.065 0.000 0.803 256 P CB 0.212 31.939 31.700 0.046 0.000 0.782 257 E N -0.147 120.085 120.200 0.053 0.000 2.347 257 E HA -0.080 4.280 4.350 0.017 0.000 0.196 257 E C 0.592 177.232 176.600 0.066 0.000 1.008 257 E CA 0.818 57.250 56.400 0.054 0.000 0.852 257 E CB -0.381 29.347 29.700 0.047 0.000 0.783 257 E HN 0.323 nan 8.360 nan 0.000 0.505 258 D N -0.158 120.273 120.400 0.053 0.000 2.670 258 D HA 0.152 4.802 4.640 0.017 0.000 0.255 258 D C -0.315 175.914 176.300 -0.119 0.000 1.286 258 D CA -0.067 53.955 54.000 0.037 0.000 0.830 258 D CB 0.424 41.242 40.800 0.030 0.000 1.065 258 D HN 0.146 nan 8.370 nan 0.000 0.486 259 I N 0.824 121.363 120.570 -0.053 0.000 2.312 259 I HA 0.111 4.291 4.170 0.017 0.000 0.291 259 I C 1.428 177.567 176.117 0.037 0.000 1.031 259 I CA -0.304 60.917 61.300 -0.131 0.000 1.293 259 I CB 0.964 38.973 38.000 0.016 0.000 1.403 259 I HN -0.003 nan 8.210 nan 0.000 0.484 260 H N 5.848 124.918 119.070 -0.000 0.000 2.384 260 H HA 0.211 4.777 4.556 0.017 0.000 0.300 260 H C 0.081 175.528 175.328 0.199 0.000 1.057 260 H CA 0.332 56.462 56.048 0.136 0.000 1.370 260 H CB 0.612 30.551 29.762 0.295 0.000 1.417 260 H HN 0.305 nan 8.280 nan 0.000 0.527 261 I N 2.337 123.085 120.570 0.297 0.000 2.390 261 I HA 0.230 4.410 4.170 0.017 0.000 0.283 261 I C -2.504 173.742 176.117 0.216 0.000 1.016 261 I CA -2.879 58.592 61.300 0.285 0.000 1.151 261 I CB 1.436 39.623 38.000 0.311 0.000 1.293 261 I HN -0.138 nan 8.210 nan 0.000 0.458 262 P HA 0.106 nan 4.420 nan 0.000 0.272 262 P C 0.681 178.036 177.300 0.092 0.000 1.223 262 P CA -0.308 62.872 63.100 0.134 0.000 0.784 262 P CB 0.417 32.165 31.700 0.080 0.000 0.923 263 Q N 1.962 121.792 119.800 0.050 0.000 2.308 263 Q HA -0.199 4.151 4.340 0.017 0.000 0.209 263 Q C 1.596 177.584 176.000 -0.021 0.000 0.985 263 Q CA 1.349 57.170 55.803 0.029 0.000 0.881 263 Q CB -0.904 27.857 28.738 0.039 0.000 0.917 263 Q HN 0.429 nan 8.270 nan 0.000 0.443 264 I N -0.220 120.282 120.570 -0.113 0.000 2.567 264 I HA -0.251 3.929 4.170 0.017 0.000 0.257 264 I C 0.868 176.857 176.117 -0.214 0.000 1.184 264 I CA 1.027 62.206 61.300 -0.202 0.000 1.451 264 I CB 0.151 37.945 38.000 -0.343 0.000 1.089 264 I HN 0.166 nan 8.210 nan 0.000 0.441 265 Y N -0.357 119.922 120.300 -0.035 0.000 2.478 265 Y HA 0.236 4.796 4.550 0.017 0.000 0.261 265 Y C 0.620 176.298 175.900 -0.369 0.000 1.127 265 Y CA -0.227 57.790 58.100 -0.139 0.000 1.288 265 Y CB 0.031 38.459 38.460 -0.054 0.000 1.084 265 Y HN -0.193 nan 8.280 nan 0.000 0.530 266 V N 0.672 120.514 119.914 -0.121 0.000 2.333 266 V HA 0.145 4.275 4.120 0.017 0.000 0.274 266 V C 0.112 176.132 176.094 -0.123 0.000 1.028 266 V CA -0.423 61.782 62.300 -0.158 0.000 0.851 266 V CB 0.696 32.483 31.823 -0.060 0.000 1.000 266 V HN 0.399 nan 8.190 nan 0.000 0.456 267 H N 3.043 122.134 119.070 0.035 0.000 2.418 267 H HA 0.328 4.894 4.556 0.017 0.000 0.300 267 H C 0.700 176.059 175.328 0.051 0.000 1.041 267 H CA 0.217 56.286 56.048 0.034 0.000 1.364 267 H CB 0.522 30.306 29.762 0.036 0.000 1.439 267 H HN 0.404 nan 8.280 nan 0.000 0.540 268 R N 0.907 121.501 120.500 0.156 0.000 2.575 268 R HA 0.459 4.809 4.340 0.017 0.000 0.293 268 R C -1.902 174.419 176.300 0.036 0.000 0.983 268 R CA -0.832 55.374 56.100 0.176 0.000 0.887 268 R CB 2.739 33.124 30.300 0.143 0.000 1.184 268 R HN -0.016 nan 8.270 nan 0.000 0.445 269 L N 4.744 125.963 121.223 -0.007 0.000 2.410 269 L HA 0.637 4.987 4.340 0.017 0.000 0.270 269 L C -1.159 175.744 176.870 0.055 0.000 0.983 269 L CA -0.627 54.143 54.840 -0.117 0.000 0.822 269 L CB 1.920 43.683 42.059 -0.494 0.000 1.285 269 L HN 0.673 nan 8.230 nan 0.000 0.409 270 I N 0.619 121.245 120.570 0.092 0.000 2.689 270 I HA 0.555 4.735 4.170 0.017 0.000 0.299 270 I C -1.035 175.181 176.117 0.165 0.000 1.059 270 I CA -0.860 60.535 61.300 0.159 0.000 1.055 270 I CB 1.913 39.985 38.000 0.119 0.000 1.243 270 I HN 0.575 nan 8.210 nan 0.000 0.425 271 K N 4.016 124.529 120.400 0.189 0.000 2.262 271 K HA 0.461 4.791 4.320 0.017 0.000 0.282 271 K C 0.134 176.850 176.600 0.193 0.000 1.066 271 K CA -0.413 55.992 56.287 0.195 0.000 0.901 271 K CB 1.085 33.691 32.500 0.175 0.000 1.089 271 K HN 1.016 nan 8.250 nan 0.000 0.476 272 G N 1.932 110.895 108.800 0.272 0.000 2.380 272 G HA2 -0.106 3.864 3.960 0.017 0.000 0.242 272 G HA3 -0.106 3.864 3.960 0.017 0.000 0.242 272 G C 0.633 175.563 174.900 0.050 0.000 1.298 272 G CA -0.360 44.809 45.100 0.114 0.000 0.878 272 G HN 0.729 nan 8.290 nan 0.000 0.542 273 E N 1.529 121.700 120.200 -0.048 0.000 2.077 273 E HA -0.045 4.315 4.350 0.017 0.000 0.193 273 E C 0.984 177.551 176.600 -0.054 0.000 0.989 273 E CA 1.648 58.036 56.400 -0.020 0.000 0.800 273 E CB -0.042 29.644 29.700 -0.023 0.000 0.746 273 E HN 0.598 nan 8.360 nan 0.000 0.452 274 K N -1.275 118.985 120.400 -0.233 0.000 2.498 274 K HA 0.368 4.698 4.320 0.017 0.000 0.254 274 K C -2.112 174.209 176.600 -0.464 0.000 0.933 274 K CA -0.697 55.480 56.287 -0.185 0.000 0.806 274 K CB 1.623 34.076 32.500 -0.079 0.000 1.301 274 K HN 0.157 nan 8.250 nan 0.000 0.432 275 Y N 2.352 122.707 120.300 0.092 0.000 2.349 275 Y HA 0.201 4.761 4.550 0.016 0.000 0.324 275 Y C 0.750 176.714 175.900 0.106 0.000 1.005 275 Y CA -0.635 57.532 58.100 0.112 0.000 1.240 275 Y CB 1.940 40.462 38.460 0.103 0.000 1.117 275 Y HN 0.668 nan 8.280 nan 0.000 0.463 276 E N 2.065 122.407 120.200 0.236 0.000 2.107 276 E HA -0.109 4.251 4.350 0.017 0.000 0.191 276 E C -0.035 176.628 176.600 0.105 0.000 0.982 276 E CA 0.492 56.978 56.400 0.145 0.000 0.809 276 E CB 0.064 29.834 29.700 0.116 0.000 0.756 276 E HN 0.537 nan 8.360 nan 0.000 0.459 277 K N 1.739 122.252 120.400 0.188 0.000 4.040 277 K HA -0.210 4.120 4.320 0.017 0.000 0.279 277 K C -0.577 176.003 176.600 -0.033 0.000 0.890 277 K CA 0.239 56.596 56.287 0.116 0.000 0.782 277 K CB -0.892 31.673 32.500 0.107 0.000 1.613 277 K HN 0.162 nan 8.250 nan 0.000 0.440 278 R N 0.973 121.347 120.500 -0.210 0.000 2.594 278 R HA 0.260 4.610 4.340 0.017 0.000 0.272 278 R C 0.596 176.800 176.300 -0.160 0.000 1.074 278 R CA -0.119 55.792 56.100 -0.315 0.000 1.105 278 R CB 0.527 30.386 30.300 -0.735 0.000 1.008 278 R HN 0.286 nan 8.270 nan 0.000 0.472 279 I N 1.696 122.198 120.570 -0.113 0.000 2.339 279 I HA 0.046 4.226 4.170 0.017 0.000 0.290 279 I C 1.455 177.540 176.117 -0.054 0.000 0.994 279 I CA -0.102 61.167 61.300 -0.052 0.000 1.191 279 I CB 1.713 39.694 38.000 -0.032 0.000 1.343 279 I HN 0.747 nan 8.210 nan 0.000 0.458 280 E N 5.666 125.854 120.200 -0.020 0.000 2.072 280 E HA 0.001 4.361 4.350 0.017 0.000 0.190 280 E C 0.243 176.842 176.600 -0.001 0.000 0.982 280 E CA 0.949 57.344 56.400 -0.008 0.000 0.803 280 E CB 0.474 30.189 29.700 0.025 0.000 0.755 280 E HN 0.488 nan 8.360 nan 0.000 0.453 281 R N 0.738 121.243 120.500 0.009 0.000 2.521 281 R HA 0.254 4.604 4.340 0.017 0.000 0.295 281 R C -1.522 174.778 176.300 0.000 0.000 1.183 281 R CA -0.586 55.517 56.100 0.005 0.000 0.957 281 R CB 1.463 31.775 30.300 0.020 0.000 1.171 281 R HN 0.015 nan 8.270 nan 0.000 0.494 282 L N 2.753 123.967 121.223 -0.015 0.000 2.385 282 L HA 0.265 4.615 4.340 0.017 0.000 0.285 282 L C -0.646 176.200 176.870 -0.041 0.000 1.125 282 L CA 0.418 55.247 54.840 -0.019 0.000 0.890 282 L CB 0.784 42.830 42.059 -0.021 0.000 1.251 282 L HN 0.471 nan 8.230 nan 0.000 0.445 283 S N 6.439 122.112 115.700 -0.044 0.000 2.461 283 S HA 0.581 5.061 4.470 0.017 0.000 0.322 283 S C -0.219 174.321 174.600 -0.100 0.000 1.063 283 S CA -0.596 57.520 58.200 -0.140 0.000 1.120 283 S CB 0.685 63.759 63.200 -0.210 0.000 0.968 283 S HN 0.319 nan 8.310 nan 0.000 0.467 284 I N 2.473 122.979 120.570 -0.108 0.000 2.493 284 I HA 0.392 4.572 4.170 0.017 0.000 0.298 284 I C 0.696 176.794 176.117 -0.031 0.000 0.998 284 I CA -0.960 60.317 61.300 -0.038 0.000 1.137 284 I CB 1.419 39.401 38.000 -0.030 0.000 1.310 284 I HN 0.539 nan 8.210 nan 0.000 0.445 285 R N 3.845 124.365 120.500 0.034 0.000 2.538 285 R HA 0.229 4.579 4.340 0.017 0.000 0.282 285 R C 0.368 176.678 176.300 0.017 0.000 1.009 285 R CA 0.191 56.325 56.100 0.057 0.000 1.063 285 R CB 0.357 30.691 30.300 0.057 0.000 0.945 285 R HN 0.815 nan 8.270 nan 0.000 0.414 298 G N 0.746 109.541 108.800 -0.009 0.000 4.951 298 G HA2 0.386 4.356 3.960 0.017 0.000 0.282 298 G HA3 0.386 4.356 3.960 0.017 0.000 0.282 298 G C -0.347 174.538 174.900 -0.023 0.000 1.301 298 G CA -0.073 45.016 45.100 -0.018 0.000 0.975 298 G HN 0.071 nan 8.290 nan 0.000 0.589 299 D N 0.126 120.515 120.400 -0.019 0.000 2.348 299 D HA 0.095 4.745 4.640 0.017 0.000 0.211 299 D C 2.106 178.383 176.300 -0.038 0.000 0.998 299 D CA 0.933 54.922 54.000 -0.017 0.000 0.873 299 D CB 0.226 41.029 40.800 0.004 0.000 0.925 299 D HN 0.454 nan 8.370 nan 0.000 0.524 300 D N 0.809 121.180 120.400 -0.049 0.000 2.103 300 D HA -0.164 4.486 4.640 0.017 0.000 0.190 300 D C 2.157 178.375 176.300 -0.136 0.000 0.997 300 D CA 2.483 56.438 54.000 -0.076 0.000 0.833 300 D CB -0.697 40.059 40.800 -0.072 0.000 0.961 300 D HN 0.206 nan 8.370 nan 0.000 0.447 301 V N -3.081 116.747 119.914 -0.144 0.000 3.235 301 V HA 0.206 4.336 4.120 0.017 0.000 0.259 301 V C 2.159 178.155 176.094 -0.163 0.000 1.133 301 V CA 1.538 63.717 62.300 -0.202 0.000 1.128 301 V CB -0.083 31.635 31.823 -0.174 0.000 0.757 301 V HN 0.426 nan 8.190 nan 0.000 0.469 302 R N 0.743 121.177 120.500 -0.109 0.000 2.093 302 R HA -0.018 4.332 4.340 0.017 0.000 0.224 302 R C 2.464 178.701 176.300 -0.105 0.000 1.101 302 R CA 1.601 57.651 56.100 -0.082 0.000 0.979 302 R CB -0.325 29.949 30.300 -0.044 0.000 0.877 302 R HN 0.678 nan 8.270 nan 0.000 0.441 303 E N 1.058 121.195 120.200 -0.105 0.000 2.110 303 E HA -0.219 4.141 4.350 0.017 0.000 0.193 303 E C 1.936 178.425 176.600 -0.185 0.000 0.988 303 E CA 1.452 57.772 56.400 -0.133 0.000 0.804 303 E CB -0.456 29.211 29.700 -0.055 0.000 0.745 303 E HN 0.405 nan 8.360 nan 0.000 0.458 304 R N -0.477 119.910 120.500 -0.188 0.000 2.083 304 R HA -0.036 4.314 4.340 0.017 0.000 0.237 304 R C 2.509 178.724 176.300 -0.143 0.000 1.137 304 R CA 1.870 57.846 56.100 -0.207 0.000 0.951 304 R CB -0.486 29.557 30.300 -0.427 0.000 0.851 304 R HN 0.552 nan 8.270 nan 0.000 0.434 305 I N -0.163 120.321 120.570 -0.143 0.000 2.252 305 I HA -0.248 3.932 4.170 0.017 0.000 0.245 305 I C 1.989 178.036 176.117 -0.116 0.000 1.102 305 I CA 1.200 62.440 61.300 -0.100 0.000 1.385 305 I CB -0.207 37.747 38.000 -0.076 0.000 1.064 305 I HN 0.133 nan 8.210 nan 0.000 0.414 306 I N 0.682 121.144 120.570 -0.180 0.000 2.252 306 I HA -0.243 3.937 4.170 0.017 0.000 0.245 306 I C 2.394 178.289 176.117 -0.370 0.000 1.102 306 I CA 1.443 62.585 61.300 -0.263 0.000 1.385 306 I CB -0.319 37.446 38.000 -0.391 0.000 1.064 306 I HN 0.095 nan 8.210 nan 0.000 0.414 307 K N 0.138 120.287 120.400 -0.418 0.000 2.211 307 K HA -0.177 4.153 4.320 0.017 0.000 0.203 307 K C 2.212 178.762 176.600 -0.084 0.000 1.050 307 K CA 0.868 56.989 56.287 -0.277 0.000 0.945 307 K CB -0.049 32.354 32.500 -0.163 0.000 0.732 307 K HN 0.047 nan 8.250 nan 0.000 0.451 308 R N 1.222 121.684 120.500 -0.063 0.000 2.080 308 R HA 0.065 4.415 4.340 0.017 0.000 0.222 308 R C 1.911 178.183 176.300 -0.047 0.000 1.107 308 R CA 1.504 57.590 56.100 -0.024 0.000 0.980 308 R CB -0.680 29.619 30.300 -0.003 0.000 0.879 308 R HN 0.109 nan 8.270 nan 0.000 0.439 309 A N 0.521 123.300 122.820 -0.068 0.000 1.978 309 A HA -0.036 4.294 4.320 0.017 0.000 0.220 309 A C 2.300 179.823 177.584 -0.101 0.000 1.170 309 A CA 1.708 53.687 52.037 -0.097 0.000 0.636 309 A CB -0.950 18.007 19.000 -0.071 0.000 0.810 309 A HN 0.466 nan 8.150 nan 0.000 0.448 310 A N -0.315 122.533 122.820 0.046 0.000 2.019 310 A HA 0.002 4.332 4.320 0.017 0.000 0.219 310 A C 1.951 179.661 177.584 0.209 0.000 1.164 310 A CA 1.290 53.489 52.037 0.271 0.000 0.644 310 A CB -0.505 18.652 19.000 0.262 0.000 0.805 310 A HN 0.485 nan 8.150 nan 0.000 0.449 311 L N -0.299 120.958 121.223 0.057 0.000 2.551 311 L HA -0.051 4.299 4.340 0.017 0.000 0.228 311 L C 1.789 178.634 176.870 -0.043 0.000 1.153 311 L CA 0.347 55.205 54.840 0.030 0.000 0.851 311 L CB -0.313 41.754 42.059 0.012 0.000 0.959 311 L HN 0.343 nan 8.230 nan 0.000 0.451 312 E N 0.058 120.149 120.200 -0.182 0.000 2.358 312 E HA 0.004 4.364 4.350 0.017 0.000 0.195 312 E C 0.221 176.634 176.600 -0.311 0.000 1.010 312 E CA 0.348 56.575 56.400 -0.288 0.000 0.856 312 E CB 0.063 29.515 29.700 -0.413 0.000 0.795 312 E HN 0.227 nan 8.360 nan 0.000 0.504 313 F N 1.559 121.507 119.950 -0.003 0.000 2.389 313 F HA 0.211 4.747 4.527 0.015 0.000 0.337 313 F C 0.933 176.718 175.800 -0.026 0.000 1.112 313 F CA -0.158 57.832 58.000 -0.018 0.000 1.192 313 F CB 0.732 39.717 39.000 -0.024 0.000 1.185 313 F HN -0.266 nan 8.300 nan 0.000 0.552 314 E N 0.008 120.305 120.200 0.161 0.000 2.343 314 E HA 0.186 4.546 4.350 0.017 0.000 0.270 314 E C -1.628 174.981 176.600 0.015 0.000 0.895 314 E CA -1.223 55.216 56.400 0.066 0.000 0.767 314 E CB 1.834 31.558 29.700 0.040 0.000 1.248 314 E HN 0.389 nan 8.360 nan 0.000 0.440 315 D N 0.203 120.594 120.400 -0.015 0.000 2.531 315 D HA 0.132 4.782 4.640 0.017 0.000 0.239 315 D C 0.946 177.203 176.300 -0.073 0.000 1.144 315 D CA 2.218 56.181 54.000 -0.061 0.000 0.869 315 D CB 0.377 41.154 40.800 -0.038 0.000 1.160 315 D HN 0.663 nan 8.370 nan 0.000 0.484 316 G N 3.249 111.955 108.800 -0.157 0.000 2.176 316 G HA2 -0.309 3.661 3.960 0.017 0.000 0.253 316 G HA3 -0.309 3.661 3.960 0.017 0.000 0.253 316 G C 0.529 175.302 174.900 -0.212 0.000 0.979 316 G CA 0.309 45.329 45.100 -0.133 0.000 0.641 316 G HN 0.624 nan 8.290 nan 0.000 0.530 317 M N 0.852 120.331 119.600 -0.203 0.000 2.217 317 M HA 0.601 5.091 4.480 0.017 0.000 0.354 317 M C -0.291 175.859 176.300 -0.252 0.000 1.225 317 M CA -0.462 54.771 55.300 -0.112 0.000 1.137 317 M CB 0.307 32.924 32.600 0.029 0.000 1.576 317 M HN 0.126 nan 8.290 nan 0.000 0.461 318 Y N 3.834 124.220 120.300 0.144 0.000 2.341 318 Y HA 0.615 5.175 4.550 0.017 0.000 0.340 318 Y C 0.144 176.113 175.900 0.115 0.000 0.997 318 Y CA -0.589 57.592 58.100 0.135 0.000 1.149 318 Y CB 0.937 39.455 38.460 0.098 0.000 1.171 318 Y HN 0.729 nan 8.280 nan 0.000 0.494 319 A N 3.468 126.417 122.820 0.216 0.000 2.401 319 A HA 0.548 4.878 4.320 0.017 0.000 0.310 319 A C -1.122 176.556 177.584 0.157 0.000 1.075 319 A CA -0.901 51.259 52.037 0.205 0.000 0.746 319 A CB 1.347 20.541 19.000 0.323 0.000 1.277 319 A HN 0.683 nan 8.150 nan 0.000 0.425 320 N N 2.308 121.087 118.700 0.132 0.000 2.407 320 N HA 0.474 5.224 4.740 0.017 0.000 0.277 320 N C -1.579 173.995 175.510 0.106 0.000 0.995 320 N CA -0.220 52.886 53.050 0.093 0.000 0.903 320 N CB 0.898 39.421 38.487 0.060 0.000 1.218 320 N HN 0.605 nan 8.380 nan 0.000 0.487 321 L N 2.263 123.547 121.223 0.102 0.000 2.282 321 L HA 0.512 4.862 4.340 0.017 0.000 0.288 321 L C 1.335 178.259 176.870 0.089 0.000 1.033 321 L CA -0.985 53.924 54.840 0.115 0.000 0.807 321 L CB 1.619 43.759 42.059 0.135 0.000 1.209 321 L HN 0.470 nan 8.230 nan 0.000 0.423 322 G N 2.622 111.475 108.800 0.089 0.000 2.572 322 G HA2 0.495 4.465 3.960 0.017 0.000 0.261 322 G HA3 0.495 4.465 3.960 0.017 0.000 0.261 322 G C -0.187 174.761 174.900 0.080 0.000 1.197 322 G CA -0.639 44.510 45.100 0.081 0.000 0.870 322 G HN 0.381 nan 8.290 nan 0.000 0.548 323 I N 1.024 121.637 120.570 0.071 0.000 2.754 323 I HA 0.435 4.615 4.170 0.017 0.000 0.285 323 I C 1.275 177.432 176.117 0.067 0.000 1.166 323 I CA 1.917 63.257 61.300 0.067 0.000 1.417 323 I CB 0.511 38.536 38.000 0.043 0.000 1.382 323 I HN 1.103 nan 8.210 nan 0.000 0.588 324 G N 4.230 113.071 108.800 0.069 0.000 2.443 324 G HA2 -0.192 3.778 3.960 0.017 0.000 0.209 324 G HA3 -0.192 3.778 3.960 0.017 0.000 0.209 324 G C 0.656 175.597 174.900 0.068 0.000 1.176 324 G CA -0.173 44.964 45.100 0.062 0.000 1.074 324 G HN 0.517 nan 8.290 nan 0.000 0.577 325 I N 2.377 122.980 120.570 0.055 0.000 2.208 325 I HA -0.118 4.062 4.170 0.017 0.000 0.245 325 I C 0.087 176.248 176.117 0.073 0.000 1.097 325 I CA 2.246 63.577 61.300 0.052 0.000 1.363 325 I CB -1.275 36.741 38.000 0.026 0.000 1.051 325 I HN 0.316 nan 8.210 nan 0.000 0.413 326 P HA -0.195 nan 4.420 nan 0.000 0.216 326 P C 2.097 179.483 177.300 0.144 0.000 1.153 326 P CA 1.968 65.133 63.100 0.108 0.000 0.858 326 P CB -0.323 31.436 31.700 0.098 0.000 0.789 327 L N -0.651 120.648 121.223 0.126 0.000 2.051 327 L HA -0.217 4.133 4.340 0.017 0.000 0.214 327 L C 2.657 179.622 176.870 0.157 0.000 1.076 327 L CA 2.367 57.286 54.840 0.131 0.000 0.758 327 L CB -2.491 39.658 42.059 0.149 0.000 0.890 327 L HN -0.009 nan 8.230 nan 0.000 0.433 328 L N -0.345 120.980 121.223 0.170 0.000 2.201 328 L HA -0.002 4.348 4.340 0.017 0.000 0.212 328 L C 3.001 180.054 176.870 0.306 0.000 1.105 328 L CA 0.949 55.920 54.840 0.218 0.000 0.775 328 L CB -0.599 41.566 42.059 0.176 0.000 0.913 328 L HN 0.500 nan 8.230 nan 0.000 0.440 329 A N -0.233 122.734 122.820 0.245 0.000 2.167 329 A HA -0.097 4.233 4.320 0.017 0.000 0.214 329 A C 2.475 180.267 177.584 0.348 0.000 1.151 329 A CA 1.132 53.356 52.037 0.311 0.000 0.735 329 A CB -0.418 18.730 19.000 0.246 0.000 0.802 329 A HN 0.480 nan 8.150 nan 0.000 0.467 330 S N 1.077 116.886 115.700 0.181 0.000 2.382 330 S HA -0.194 4.286 4.470 0.017 0.000 0.228 330 S C 1.576 176.153 174.600 -0.039 0.000 1.027 330 S CA 1.275 59.443 58.200 -0.054 0.000 0.991 330 S CB -0.682 62.462 63.200 -0.094 0.000 0.823 330 S HN 0.581 nan 8.310 nan 0.000 0.469 331 N N 1.090 119.823 118.700 0.055 0.000 2.348 331 N HA -0.004 4.746 4.740 0.017 0.000 0.185 331 N C 0.582 175.974 175.510 -0.197 0.000 1.019 331 N CA 1.044 54.044 53.050 -0.083 0.000 0.880 331 N CB -0.451 37.959 38.487 -0.128 0.000 0.965 331 N HN 0.546 nan 8.380 nan 0.000 0.437 332 F N 0.645 120.594 119.950 -0.002 0.000 2.695 332 F HA 0.342 4.876 4.527 0.011 0.000 0.303 332 F C 0.896 176.702 175.800 0.011 0.000 1.091 332 F CA -0.573 57.440 58.000 0.021 0.000 1.300 332 F CB -0.024 39.013 39.000 0.063 0.000 1.071 332 F HN -0.185 nan 8.300 nan 0.000 0.578 333 I N 0.654 121.267 120.570 0.072 0.000 2.741 333 I HA -0.136 4.044 4.170 0.017 0.000 0.288 333 I C 1.154 177.252 176.117 -0.031 0.000 1.192 333 I CA 0.181 61.450 61.300 -0.052 0.000 1.426 333 I CB 0.220 38.034 38.000 -0.310 0.000 1.367 333 I HN -0.021 nan 8.210 nan 0.000 0.563 334 S N 8.772 124.478 115.700 0.011 0.000 2.558 334 S HA 0.063 4.543 4.470 0.017 0.000 0.291 334 S C -1.081 173.491 174.600 -0.047 0.000 1.306 334 S CA -1.000 57.198 58.200 -0.003 0.000 1.056 334 S CB 0.624 63.832 63.200 0.013 0.000 0.836 334 S HN 0.498 nan 8.310 nan 0.000 0.504 335 P HA 0.131 nan 4.420 nan 0.000 0.249 335 P C 0.900 178.170 177.300 -0.048 0.000 1.229 335 P CA 0.692 63.757 63.100 -0.059 0.000 0.788 335 P CB -0.652 31.016 31.700 -0.053 0.000 1.072 336 N N 0.904 119.583 118.700 -0.035 0.000 2.457 336 N HA 0.066 4.816 4.740 0.017 0.000 0.180 336 N C 1.149 176.635 175.510 -0.039 0.000 1.050 336 N CA 0.575 53.607 53.050 -0.030 0.000 0.906 336 N CB -0.353 38.124 38.487 -0.016 0.000 0.968 336 N HN 0.370 nan 8.380 nan 0.000 0.445 337 I N -4.796 115.741 120.570 -0.055 0.000 3.023 337 I HA 0.622 4.802 4.170 0.017 0.000 0.312 337 I C -0.488 175.550 176.117 -0.132 0.000 1.056 337 I CA -0.800 60.454 61.300 -0.078 0.000 1.033 337 I CB 2.397 40.361 38.000 -0.060 0.000 1.233 337 I HN -0.080 nan 8.210 nan 0.000 0.462 338 T N 3.553 117.997 114.554 -0.183 0.000 2.809 338 T HA 0.559 4.919 4.350 0.017 0.000 0.296 338 T C -0.764 173.654 174.700 -0.470 0.000 1.015 338 T CA -0.382 61.534 62.100 -0.306 0.000 0.954 338 T CB 0.467 69.168 68.868 -0.278 0.000 0.950 338 T HN 0.462 nan 8.240 nan 0.000 0.450 339 V N 6.902 126.542 119.914 -0.457 0.000 2.481 339 V HA 0.427 4.557 4.120 0.017 0.000 0.286 339 V C 0.022 175.778 176.094 -0.563 0.000 1.042 339 V CA -0.904 61.108 62.300 -0.480 0.000 0.928 339 V CB 1.133 32.709 31.823 -0.412 0.000 0.986 339 V HN 0.810 nan 8.190 nan 0.000 0.462 340 H N 5.368 124.282 119.070 -0.259 0.000 2.556 340 H HA 0.472 5.038 4.556 0.017 0.000 0.310 340 H C -0.530 174.763 175.328 -0.058 0.000 1.057 340 H CA -0.379 55.561 56.048 -0.180 0.000 1.264 340 H CB 1.294 30.901 29.762 -0.259 0.000 1.404 340 H HN 0.434 nan 8.280 nan 0.000 0.462 341 L N 3.087 124.332 121.223 0.037 0.000 2.282 341 L HA 0.248 4.598 4.340 0.017 0.000 0.288 341 L C 0.525 177.421 176.870 0.045 0.000 1.033 341 L CA -0.466 54.386 54.840 0.021 0.000 0.807 341 L CB 1.502 43.526 42.059 -0.060 0.000 1.209 341 L HN 0.401 nan 8.230 nan 0.000 0.423 342 Q N 2.196 122.035 119.800 0.066 0.000 2.282 342 Q HA 0.390 4.740 4.340 0.017 0.000 0.260 342 Q C -1.292 174.706 176.000 -0.004 0.000 0.964 342 Q CA -0.184 55.656 55.803 0.061 0.000 0.880 342 Q CB 2.315 31.107 28.738 0.090 0.000 1.286 342 Q HN 0.578 nan 8.270 nan 0.000 0.445 343 S N 1.659 117.326 115.700 -0.055 0.000 2.473 343 S HA 0.137 4.617 4.470 0.017 0.000 0.307 343 S C 0.829 175.310 174.600 -0.198 0.000 1.094 343 S CA -0.490 57.636 58.200 -0.123 0.000 1.070 343 S CB 0.900 64.003 63.200 -0.162 0.000 1.019 343 S HN 0.690 nan 8.310 nan 0.000 0.480 344 E N 3.398 123.466 120.200 -0.219 0.000 2.265 344 E HA -0.194 4.166 4.350 0.017 0.000 0.196 344 E C 0.941 177.323 176.600 -0.363 0.000 0.996 344 E CA 1.193 57.379 56.400 -0.358 0.000 0.832 344 E CB -0.382 29.204 29.700 -0.191 0.000 0.756 344 E HN 0.680 nan 8.360 nan 0.000 0.491 345 N N 1.034 119.407 118.700 -0.546 0.000 2.521 345 N HA -0.008 4.742 4.740 0.017 0.000 0.188 345 N C 0.870 176.054 175.510 -0.545 0.000 1.146 345 N CA 0.942 53.501 53.050 -0.818 0.000 0.893 345 N CB 0.629 38.136 38.487 -1.633 0.000 0.975 345 N HN 0.351 nan 8.380 nan 0.000 0.451 346 G N -0.823 107.669 108.800 -0.514 0.000 2.245 346 G HA2 -0.086 3.884 3.960 0.017 0.000 0.130 346 G HA3 -0.086 3.884 3.960 0.017 0.000 0.130 346 G C -0.893 173.286 174.900 -1.202 0.000 1.040 346 G CA -0.115 44.493 45.100 -0.821 0.000 0.713 346 G HN 0.262 nan 8.290 nan 0.000 0.488 347 V N -0.148 119.274 119.914 -0.819 0.000 2.789 347 V HA 0.875 5.005 4.120 0.017 0.000 0.311 347 V C -0.390 175.574 176.094 -0.217 0.000 1.073 347 V CA -1.161 60.790 62.300 -0.583 0.000 0.921 347 V CB 2.129 33.786 31.823 -0.276 0.000 1.009 347 V HN 0.597 nan 8.190 nan 0.000 0.426 348 L N 3.071 124.232 121.223 -0.104 0.000 2.406 348 L HA 0.908 5.258 4.340 0.017 0.000 0.272 348 L C 0.312 177.145 176.870 -0.061 0.000 0.980 348 L CA 0.985 55.864 54.840 0.064 0.000 0.831 348 L CB 1.541 43.733 42.059 0.221 0.000 1.253 348 L HN 1.060 nan 8.230 nan 0.000 0.406 349 G N 4.544 113.327 108.800 -0.028 0.000 2.237 349 G HA2 -0.136 3.834 3.960 0.017 0.000 0.153 349 G HA3 -0.136 3.834 3.960 0.017 0.000 0.153 349 G C -0.226 174.615 174.900 -0.097 0.000 1.039 349 G CA -0.215 44.860 45.100 -0.041 0.000 0.719 349 G HN 0.620 nan 8.290 nan 0.000 0.491 350 L N 0.608 121.772 121.223 -0.099 0.000 2.525 350 L HA 0.428 4.778 4.340 0.017 0.000 0.278 350 L C 1.558 178.350 176.870 -0.131 0.000 1.218 350 L CA 0.785 55.551 54.840 -0.123 0.000 0.878 350 L CB 0.446 42.430 42.059 -0.125 0.000 1.127 350 L HN 0.359 nan 8.230 nan 0.000 0.492 351 G N 3.463 112.181 108.800 -0.136 0.000 2.671 351 G HA2 0.586 4.556 3.960 0.017 0.000 0.275 351 G HA3 0.586 4.556 3.960 0.017 0.000 0.275 351 G C -2.530 172.256 174.900 -0.189 0.000 1.368 351 G CA -0.876 44.142 45.100 -0.138 0.000 1.044 351 G HN 0.420 nan 8.290 nan 0.000 0.543 352 P HA 0.135 nan 4.420 nan 0.000 0.272 352 P C -0.838 176.334 177.300 -0.213 0.000 1.254 352 P CA -0.394 62.587 63.100 -0.198 0.000 0.795 352 P CB 0.242 31.887 31.700 -0.092 0.000 1.022 353 Y N 0.302 120.579 120.300 -0.039 0.000 2.578 353 Y HA 0.091 4.651 4.550 0.016 0.000 0.339 353 Y C -1.312 174.557 175.900 -0.052 0.000 1.231 353 Y CA -1.153 56.925 58.100 -0.037 0.000 1.461 353 Y CB -1.018 37.425 38.460 -0.027 0.000 1.323 353 Y HN 0.295 nan 8.280 nan 0.000 0.590 354 P HA 0.219 nan 4.420 nan 0.000 0.282 354 P C -0.801 176.473 177.300 -0.043 0.000 1.249 354 P CA -0.623 62.468 63.100 -0.015 0.000 0.806 354 P CB 0.973 32.651 31.700 -0.037 0.000 0.984 355 R N 1.140 121.559 120.500 -0.135 0.000 2.734 355 R HA 0.016 4.366 4.340 0.017 0.000 0.266 355 R C 1.849 178.038 176.300 -0.185 0.000 1.044 355 R CA 0.070 56.079 56.100 -0.151 0.000 1.128 355 R CB -0.375 29.803 30.300 -0.204 0.000 1.010 355 R HN 0.449 nan 8.270 nan 0.000 0.461 356 Q N 1.747 121.514 119.800 -0.055 0.000 2.065 356 Q HA -0.315 4.035 4.340 0.017 0.000 0.213 356 Q C 1.746 177.731 176.000 -0.025 0.000 1.012 356 Q CA 2.495 58.291 55.803 -0.011 0.000 0.876 356 Q CB -0.324 28.446 28.738 0.054 0.000 0.954 356 Q HN 0.834 nan 8.270 nan 0.000 0.413 357 H N -1.300 117.775 119.070 0.009 0.000 2.521 357 H HA -0.014 4.552 4.556 0.016 0.000 0.286 357 H C 1.047 176.380 175.328 0.008 0.000 1.034 357 H CA 1.490 57.543 56.048 0.008 0.000 1.278 357 H CB -0.015 29.751 29.762 0.008 0.000 1.386 357 H HN 0.525 nan 8.280 nan 0.000 0.567 358 E N 0.975 120.919 120.200 -0.426 0.000 2.442 358 E HA 0.259 4.619 4.350 0.017 0.000 0.195 358 E C 0.799 177.337 176.600 -0.104 0.000 1.030 358 E CA 0.146 56.407 56.400 -0.230 0.000 0.869 358 E CB 0.394 29.925 29.700 -0.281 0.000 0.857 358 E HN 0.488 nan 8.360 nan 0.000 0.505 359 A N 1.898 124.668 122.820 -0.082 0.000 2.511 359 A HA 0.049 4.379 4.320 0.017 0.000 0.242 359 A C -0.145 177.421 177.584 -0.029 0.000 1.069 359 A CA 0.261 52.276 52.037 -0.037 0.000 0.763 359 A CB 0.288 19.275 19.000 -0.022 0.000 1.001 359 A HN 0.016 nan 8.150 nan 0.000 0.498 360 D N 1.547 121.930 120.400 -0.028 0.000 2.855 360 D HA 0.472 5.122 4.640 0.017 0.000 0.241 360 D C 0.738 177.015 176.300 -0.039 0.000 1.277 360 D CA 0.213 54.187 54.000 -0.043 0.000 0.918 360 D CB 1.857 42.618 40.800 -0.065 0.000 1.462 360 D HN 0.445 nan 8.370 nan 0.000 0.559 361 A N 3.305 126.102 122.820 -0.037 0.000 2.024 361 A HA -0.161 4.169 4.320 0.017 0.000 0.220 361 A C 1.288 178.852 177.584 -0.033 0.000 1.164 361 A CA 1.271 53.295 52.037 -0.021 0.000 0.643 361 A CB -0.003 18.990 19.000 -0.012 0.000 0.806 361 A HN 0.529 nan 8.150 nan 0.000 0.451 362 D N -1.490 118.855 120.400 -0.092 0.000 2.349 362 D HA 0.160 4.810 4.640 0.017 0.000 0.224 362 D C -0.346 175.854 176.300 -0.167 0.000 1.029 362 D CA 0.408 54.318 54.000 -0.150 0.000 0.879 362 D CB 0.364 41.003 40.800 -0.267 0.000 0.906 362 D HN 0.286 nan 8.370 nan 0.000 0.528 363 L N 1.583 122.749 121.223 -0.096 0.000 2.427 363 L HA 0.403 4.753 4.340 0.017 0.000 0.264 363 L C -0.762 176.107 176.870 -0.000 0.000 0.989 363 L CA -0.834 53.973 54.840 -0.055 0.000 0.865 363 L CB 0.793 42.838 42.059 -0.023 0.000 1.209 363 L HN -0.092 nan 8.230 nan 0.000 0.430 364 I N 1.312 121.888 120.570 0.009 0.000 3.174 364 I HA 0.753 4.934 4.170 0.017 0.000 0.313 364 I C -0.638 175.493 176.117 0.023 0.000 1.155 364 I CA -0.879 60.453 61.300 0.053 0.000 0.977 364 I CB 2.167 40.238 38.000 0.117 0.000 1.248 364 I HN 0.546 nan 8.210 nan 0.000 0.453 365 N N 2.288 121.026 118.700 0.064 0.000 2.566 365 N HA 0.489 5.239 4.740 0.017 0.000 0.299 365 N C 0.612 176.203 175.510 0.135 0.000 1.277 365 N CA -0.200 52.872 53.050 0.037 0.000 0.965 365 N CB 0.583 39.090 38.487 0.035 0.000 1.142 365 N HN 0.822 nan 8.380 nan 0.000 0.596 366 A N -1.405 121.488 122.820 0.123 0.000 2.119 366 A HA 0.174 4.504 4.320 0.017 0.000 0.217 366 A C 1.683 179.410 177.584 0.238 0.000 1.153 366 A CA 1.085 53.300 52.037 0.298 0.000 0.692 366 A CB -1.323 17.791 19.000 0.191 0.000 0.799 366 A HN 0.785 nan 8.150 nan 0.000 0.458 367 G N -0.874 108.015 108.800 0.148 0.000 3.124 367 G HA2 0.214 4.184 3.960 0.017 0.000 0.212 367 G HA3 0.214 4.184 3.960 0.017 0.000 0.212 367 G C 0.633 175.598 174.900 0.108 0.000 1.181 367 G CA 0.294 45.450 45.100 0.094 0.000 0.803 367 G HN 0.514 nan 8.290 nan 0.000 0.529 368 K N -0.484 120.024 120.400 0.179 0.000 3.088 368 K HA -0.186 4.144 4.320 0.017 0.000 0.273 368 K C -0.208 176.467 176.600 0.125 0.000 1.111 368 K CA 0.891 57.277 56.287 0.166 0.000 0.803 368 K CB -1.070 31.487 32.500 0.096 0.000 1.226 368 K HN 0.562 nan 8.250 nan 0.000 0.485 369 E N 1.215 121.499 120.200 0.140 0.000 2.249 369 E HA 0.115 4.475 4.350 0.017 0.000 0.280 369 E C 0.329 177.019 176.600 0.150 0.000 1.016 369 E CA -0.380 56.107 56.400 0.144 0.000 0.830 369 E CB 0.953 30.794 29.700 0.235 0.000 1.081 369 E HN 0.207 nan 8.360 nan 0.000 0.395 370 T N -0.441 114.185 114.554 0.119 0.000 2.902 370 T HA 0.273 4.633 4.350 0.017 0.000 0.301 370 T C 0.354 175.150 174.700 0.160 0.000 1.012 370 T CA -0.769 61.393 62.100 0.102 0.000 1.151 370 T CB 0.136 69.039 68.868 0.058 0.000 0.946 370 T HN 0.283 nan 8.240 nan 0.000 0.542 371 V N 0.078 120.039 119.914 0.077 0.000 3.156 371 V HA 0.978 5.108 4.120 0.017 0.000 0.311 371 V C 0.117 176.202 176.094 -0.015 0.000 1.208 371 V CA -0.628 61.679 62.300 0.011 0.000 1.063 371 V CB 1.514 33.303 31.823 -0.058 0.000 1.098 371 V HN 1.244 nan 8.190 nan 0.000 0.452 372 T N -0.748 113.771 114.554 -0.058 0.000 2.910 372 T HA 0.834 5.194 4.350 0.017 0.000 0.287 372 T C -0.371 174.295 174.700 -0.057 0.000 1.050 372 T CA -0.444 61.629 62.100 -0.044 0.000 1.011 372 T CB 1.664 70.501 68.868 -0.053 0.000 1.195 372 T HN 1.487 nan 8.240 nan 0.000 0.540 373 I N -0.752 119.792 120.570 -0.044 0.000 2.693 373 I HA 0.682 4.862 4.170 0.017 0.000 0.303 373 I C -0.730 175.342 176.117 -0.075 0.000 1.025 373 I CA -1.593 59.654 61.300 -0.089 0.000 1.086 373 I CB 1.451 39.359 38.000 -0.153 0.000 1.268 373 I HN 0.569 nan 8.210 nan 0.000 0.440 374 L N 2.940 124.113 121.223 -0.085 0.000 2.416 374 L HA 0.545 4.895 4.340 0.017 0.000 0.262 374 L C -2.124 174.714 176.870 -0.054 0.000 1.093 374 L CA -1.829 52.974 54.840 -0.060 0.000 0.801 374 L CB 0.433 42.459 42.059 -0.055 0.000 1.191 374 L HN 0.380 nan 8.230 nan 0.000 0.459 375 P HA 0.093 nan 4.420 nan 0.000 0.265 375 P C 0.586 177.869 177.300 -0.028 0.000 1.193 375 P CA 0.586 63.670 63.100 -0.025 0.000 0.765 375 P CB 0.669 32.361 31.700 -0.012 0.000 0.823 376 G N 1.299 110.078 108.800 -0.035 0.000 2.175 376 G HA2 -0.148 3.822 3.960 0.017 0.000 0.244 376 G HA3 -0.148 3.822 3.960 0.017 0.000 0.244 376 G C 0.477 175.333 174.900 -0.073 0.000 0.982 376 G CA -0.022 45.053 45.100 -0.041 0.000 0.641 376 G HN 0.853 nan 8.290 nan 0.000 0.527 377 A N 0.029 122.781 122.820 -0.114 0.000 2.448 377 A HA 0.724 5.054 4.320 0.017 0.000 0.239 377 A C 0.888 178.316 177.584 -0.261 0.000 1.080 377 A CA 1.278 53.191 52.037 -0.207 0.000 0.779 377 A CB 0.389 19.207 19.000 -0.304 0.000 1.026 377 A HN 2.065 nan 8.150 nan 0.000 0.499 378 S N -0.478 115.033 115.700 -0.314 0.000 2.632 378 S HA 0.871 5.351 4.470 0.017 0.000 0.289 378 S C -0.955 173.329 174.600 -0.527 0.000 1.115 378 S CA -0.652 57.389 58.200 -0.265 0.000 0.889 378 S CB 1.141 64.350 63.200 0.016 0.000 1.116 378 S HN 0.483 nan 8.310 nan 0.000 0.486 379 F N 0.917 120.812 119.950 -0.092 0.000 2.561 379 F HA 0.872 5.409 4.527 0.016 0.000 0.321 379 F C -0.446 175.207 175.800 -0.245 0.000 1.065 379 F CA -0.950 56.825 58.000 -0.374 0.000 0.934 379 F CB 1.910 40.746 39.000 -0.274 0.000 1.215 379 F HN 0.813 nan 8.300 nan 0.000 0.471 380 F N -1.739 118.206 119.950 -0.007 0.000 2.807 380 F HA 0.634 5.171 4.527 0.016 0.000 0.316 380 F C -0.593 175.097 175.800 -0.184 0.000 1.162 380 F CA -1.635 56.287 58.000 -0.130 0.000 0.910 380 F CB 0.347 39.260 39.000 -0.146 0.000 1.314 380 F HN 0.414 nan 8.300 nan 0.000 0.454 381 S N -0.130 115.568 115.700 -0.005 0.000 2.634 381 S HA 0.360 4.840 4.470 0.017 0.000 0.261 381 S C 0.628 175.155 174.600 -0.121 0.000 1.271 381 S CA 0.077 58.176 58.200 -0.168 0.000 0.985 381 S CB 1.256 64.326 63.200 -0.216 0.000 0.968 381 S HN 0.703 nan 8.310 nan 0.000 0.568 382 S N 1.382 116.913 115.700 -0.281 0.000 2.383 382 S HA -0.123 4.357 4.470 0.017 0.000 0.227 382 S C 1.734 176.274 174.600 -0.099 0.000 1.026 382 S CA 1.301 59.323 58.200 -0.298 0.000 0.981 382 S CB -0.701 61.967 63.200 -0.887 0.000 0.818 382 S HN 0.914 nan 8.310 nan 0.000 0.472 383 D N 1.406 121.713 120.400 -0.156 0.000 2.144 383 D HA -0.183 4.467 4.640 0.017 0.000 0.199 383 D C 1.773 178.057 176.300 -0.027 0.000 0.984 383 D CA 1.218 55.182 54.000 -0.061 0.000 0.834 383 D CB -0.358 40.378 40.800 -0.107 0.000 0.955 383 D HN 0.399 nan 8.370 nan 0.000 0.465 384 E N 1.104 121.276 120.200 -0.047 0.000 2.112 384 E HA -0.113 4.247 4.350 0.017 0.000 0.190 384 E C 2.062 178.584 176.600 -0.131 0.000 0.979 384 E CA 1.129 57.471 56.400 -0.096 0.000 0.814 384 E CB -0.326 29.318 29.700 -0.095 0.000 0.762 384 E HN 0.118 nan 8.360 nan 0.000 0.460 385 S N -0.983 114.731 115.700 0.024 0.000 2.353 385 S HA -0.148 4.332 4.470 0.017 0.000 0.222 385 S C 1.619 176.057 174.600 -0.269 0.000 1.035 385 S CA 1.460 59.637 58.200 -0.039 0.000 1.025 385 S CB -0.501 62.651 63.200 -0.080 0.000 0.902 385 S HN 0.397 nan 8.310 nan 0.000 0.440 386 F N 1.606 121.543 119.950 -0.023 0.000 2.407 386 F HA 0.243 4.780 4.527 0.016 0.000 0.299 386 F C 2.417 178.205 175.800 -0.020 0.000 1.097 386 F CA 0.520 58.514 58.000 -0.010 0.000 1.422 386 F CB -0.638 38.362 39.000 0.000 0.000 1.067 386 F HN 0.270 nan 8.300 nan 0.000 0.539 387 A N -0.197 122.660 122.820 0.060 0.000 1.902 387 A HA -0.222 4.108 4.320 0.017 0.000 0.217 387 A C 2.275 179.868 177.584 0.015 0.000 1.181 387 A CA 1.566 53.609 52.037 0.009 0.000 0.623 387 A CB -0.710 18.249 19.000 -0.068 0.000 0.818 387 A HN 0.360 nan 8.150 nan 0.000 0.443 388 M N -0.684 118.860 119.600 -0.095 0.000 2.065 388 M HA -0.141 4.349 4.480 0.017 0.000 0.259 388 M C 2.017 178.354 176.300 0.061 0.000 1.069 388 M CA 1.826 57.071 55.300 -0.091 0.000 1.110 388 M CB -0.349 32.081 32.600 -0.283 0.000 1.328 388 M HN 0.477 nan 8.290 nan 0.000 0.405 389 I N -1.098 119.470 120.570 -0.003 0.000 2.133 389 I HA -0.305 3.875 4.170 0.017 0.000 0.238 389 I C 2.594 178.768 176.117 0.095 0.000 1.074 389 I CA 1.271 62.593 61.300 0.035 0.000 1.342 389 I CB -0.577 37.422 38.000 -0.002 0.000 1.053 389 I HN 0.273 nan 8.210 nan 0.000 0.404 390 R N 1.049 121.633 120.500 0.141 0.000 2.127 390 R HA -0.146 4.205 4.340 0.017 0.000 0.238 390 R C 2.011 178.367 176.300 0.093 0.000 1.134 390 R CA 1.579 57.763 56.100 0.141 0.000 0.975 390 R CB -0.418 29.984 30.300 0.169 0.000 0.865 390 R HN 0.464 nan 8.270 nan 0.000 0.447 391 G N -1.293 107.560 108.800 0.088 0.000 2.920 391 G HA2 0.105 4.075 3.960 0.017 0.000 0.208 391 G HA3 0.105 4.075 3.960 0.017 0.000 0.208 391 G C 0.760 175.528 174.900 -0.220 0.000 1.159 391 G CA 0.409 45.512 45.100 0.004 0.000 0.784 391 G HN 0.533 nan 8.290 nan 0.000 0.535 392 G N -0.205 108.524 108.800 -0.118 0.000 2.136 392 G HA2 -0.269 3.701 3.960 0.017 0.000 0.242 392 G HA3 -0.269 3.701 3.960 0.017 0.000 0.242 392 G C 0.834 175.606 174.900 -0.213 0.000 0.989 392 G CA 0.490 45.501 45.100 -0.149 0.000 0.682 392 G HN 0.586 nan 8.290 nan 0.000 0.522 393 H N -1.016 118.021 119.070 -0.055 0.000 2.535 393 H HA 0.188 4.754 4.556 0.016 0.000 0.273 393 H C 1.419 176.699 175.328 -0.080 0.000 0.983 393 H CA 0.932 56.918 56.048 -0.103 0.000 1.238 393 H CB 0.462 30.115 29.762 -0.181 0.000 1.412 393 H HN 0.332 nan 8.280 nan 0.000 0.562 394 V N 2.805 122.763 119.914 0.074 0.000 2.530 394 V HA -0.041 4.089 4.120 0.017 0.000 0.282 394 V C 1.005 177.167 176.094 0.114 0.000 1.048 394 V CA -0.074 62.291 62.300 0.108 0.000 0.997 394 V CB 1.711 33.585 31.823 0.086 0.000 0.987 394 V HN 0.242 nan 8.190 nan 0.000 0.477 395 D N 2.513 123.014 120.400 0.169 0.000 2.137 395 D HA 0.053 4.703 4.640 0.017 0.000 0.202 395 D C 0.252 176.606 176.300 0.089 0.000 0.970 395 D CA 1.102 55.180 54.000 0.129 0.000 0.837 395 D CB 0.425 41.319 40.800 0.158 0.000 0.981 395 D HN 0.303 nan 8.370 nan 0.000 0.475 396 L N 0.190 121.474 121.223 0.102 0.000 2.410 396 L HA 0.371 4.721 4.340 0.017 0.000 0.270 396 L C -1.048 175.869 176.870 0.078 0.000 0.983 396 L CA -0.234 54.645 54.840 0.065 0.000 0.822 396 L CB 2.450 44.531 42.059 0.036 0.000 1.285 396 L HN -0.323 nan 8.230 nan 0.000 0.409 397 T N 5.860 120.447 114.554 0.055 0.000 2.797 397 T HA 0.599 4.959 4.350 0.017 0.000 0.279 397 T C -0.672 174.052 174.700 0.040 0.000 0.991 397 T CA -0.213 61.924 62.100 0.061 0.000 0.979 397 T CB 1.045 69.951 68.868 0.063 0.000 0.943 397 T HN 0.671 nan 8.240 nan 0.000 0.444 398 M N 4.765 124.396 119.600 0.052 0.000 2.197 398 M HA 0.616 5.106 4.480 0.017 0.000 0.301 398 M C -1.957 174.376 176.300 0.054 0.000 0.987 398 M CA -0.627 54.692 55.300 0.032 0.000 0.921 398 M CB 0.808 33.421 32.600 0.022 0.000 1.569 398 M HN 0.477 nan 8.290 nan 0.000 0.431 399 L N 3.149 124.399 121.223 0.046 0.000 2.371 399 L HA 0.780 5.130 4.340 0.017 0.000 0.262 399 L C 0.346 177.246 176.870 0.050 0.000 1.006 399 L CA -1.062 53.812 54.840 0.057 0.000 0.818 399 L CB 2.348 44.445 42.059 0.064 0.000 1.354 399 L HN 0.806 nan 8.230 nan 0.000 0.415 400 G N 0.700 109.534 108.800 0.056 0.000 2.599 400 G HA2 0.655 4.625 3.960 0.017 0.000 0.264 400 G HA3 0.655 4.625 3.960 0.017 0.000 0.264 400 G C -0.914 174.020 174.900 0.056 0.000 1.200 400 G CA 0.096 45.226 45.100 0.051 0.000 0.896 400 G HN 0.781 nan 8.290 nan 0.000 0.536 401 A N 0.371 123.218 122.820 0.046 0.000 2.574 401 A HA 0.594 4.924 4.320 0.017 0.000 0.297 401 A C 0.518 178.124 177.584 0.036 0.000 1.062 401 A CA -0.603 51.462 52.037 0.047 0.000 0.686 401 A CB 1.370 20.391 19.000 0.035 0.000 1.285 401 A HN 0.575 nan 8.150 nan 0.000 0.403 402 M N -0.068 119.555 119.600 0.038 0.000 2.357 402 M HA 0.089 4.579 4.480 0.017 0.000 0.266 402 M C 0.413 176.721 176.300 0.013 0.000 1.095 402 M CA 1.383 56.697 55.300 0.023 0.000 1.156 402 M CB 0.152 32.762 32.600 0.018 0.000 1.365 402 M HN 0.757 nan 8.290 nan 0.000 0.447 403 Q N -0.477 119.332 119.800 0.016 0.000 2.416 403 Q HA 0.611 4.961 4.340 0.017 0.000 0.281 403 Q C -1.511 174.491 176.000 0.003 0.000 1.067 403 Q CA -0.702 55.103 55.803 0.003 0.000 0.809 403 Q CB 3.568 32.308 28.738 0.004 0.000 1.418 403 Q HN -0.059 nan 8.270 nan 0.000 0.411 404 V N 1.031 120.931 119.914 -0.024 0.000 2.709 404 V HA 0.580 4.710 4.120 0.017 0.000 0.308 404 V C -0.401 175.655 176.094 -0.063 0.000 1.062 404 V CA -0.704 61.577 62.300 -0.032 0.000 0.901 404 V CB 1.888 33.684 31.823 -0.045 0.000 1.003 404 V HN 0.892 nan 8.190 nan 0.000 0.425 405 S N 3.100 118.772 115.700 -0.047 0.000 2.687 405 S HA 0.401 4.881 4.470 0.017 0.000 0.283 405 S C 1.040 175.560 174.600 -0.133 0.000 1.170 405 S CA -0.332 57.828 58.200 -0.067 0.000 1.008 405 S CB 1.484 64.683 63.200 -0.002 0.000 1.026 405 S HN 0.761 nan 8.310 nan 0.000 0.541 406 K N 0.178 120.442 120.400 -0.226 0.000 2.144 406 K HA -0.202 4.128 4.320 0.017 0.000 0.209 406 K C 0.478 176.784 176.600 -0.489 0.000 1.047 406 K CA 1.967 57.994 56.287 -0.433 0.000 0.927 406 K CB -0.339 31.787 32.500 -0.624 0.000 0.716 406 K HN 0.811 nan 8.250 nan 0.000 0.454 407 Y N -1.358 118.919 120.300 -0.039 0.000 2.467 407 Y HA 0.262 4.823 4.550 0.018 0.000 0.250 407 Y C 1.150 177.044 175.900 -0.011 0.000 1.155 407 Y CA 0.182 58.270 58.100 -0.020 0.000 1.249 407 Y CB 1.391 39.844 38.460 -0.011 0.000 1.146 407 Y HN 0.276 nan 8.280 nan 0.000 0.524 408 G N -0.266 108.577 108.800 0.072 0.000 2.148 408 G HA2 -0.220 3.750 3.960 0.017 0.000 0.203 408 G HA3 -0.220 3.750 3.960 0.017 0.000 0.203 408 G C -0.458 174.476 174.900 0.056 0.000 0.993 408 G CA -0.339 44.792 45.100 0.051 0.000 0.661 408 G HN 0.191 nan 8.290 nan 0.000 0.518 409 D N -0.101 120.336 120.400 0.062 0.000 2.399 409 D HA 0.497 5.147 4.640 0.017 0.000 0.241 409 D C 0.340 176.667 176.300 0.046 0.000 1.133 409 D CA 0.163 54.196 54.000 0.056 0.000 0.890 409 D CB 1.775 42.607 40.800 0.054 0.000 1.201 409 D HN 0.352 nan 8.370 nan 0.000 0.432 410 L N 0.776 122.035 121.223 0.060 0.000 2.365 410 L HA 0.640 4.990 4.340 0.017 0.000 0.273 410 L C -1.277 175.652 176.870 0.098 0.000 1.000 410 L CA -0.762 54.119 54.840 0.068 0.000 0.819 410 L CB 1.777 43.881 42.059 0.075 0.000 1.284 410 L HN 0.371 nan 8.230 nan 0.000 0.418 411 A N 3.754 126.627 122.820 0.088 0.000 2.323 411 A HA 0.642 4.972 4.320 0.017 0.000 0.305 411 A C -0.370 177.281 177.584 0.111 0.000 1.275 411 A CA -0.315 51.787 52.037 0.108 0.000 0.804 411 A CB 0.084 19.114 19.000 0.049 0.000 1.152 411 A HN 0.804 nan 8.150 nan 0.000 0.487 412 N N 1.362 120.176 118.700 0.191 0.000 2.301 412 N HA 0.002 4.752 4.740 0.017 0.000 0.247 412 N C 0.168 175.831 175.510 0.254 0.000 1.347 412 N CA 0.022 53.177 53.050 0.174 0.000 0.844 412 N CB -0.000 38.574 38.487 0.145 0.000 1.332 412 N HN 0.830 nan 8.380 nan 0.000 0.494 413 W N -0.376 120.963 121.300 0.066 0.000 2.199 413 W HA 0.547 5.216 4.660 0.016 0.000 0.264 413 W C -1.021 175.552 176.519 0.091 0.000 0.923 413 W CA -0.341 57.056 57.345 0.087 0.000 1.221 413 W CB 0.343 29.857 29.460 0.089 0.000 0.974 413 W HN -0.075 nan 8.180 nan 0.000 0.562 414 M N 2.025 121.267 119.600 -0.596 0.000 2.324 414 M HA 0.467 4.957 4.480 0.017 0.000 0.288 414 M C -2.005 174.088 176.300 -0.345 0.000 1.097 414 M CA -0.476 54.426 55.300 -0.662 0.000 0.928 414 M CB 2.638 34.425 32.600 -1.355 0.000 1.648 414 M HN -0.107 nan 8.290 nan 0.000 0.460 415 I N 6.049 126.497 120.570 -0.203 0.000 2.405 415 I HA 0.371 4.551 4.170 0.017 0.000 0.280 415 I C -2.271 173.776 176.117 -0.117 0.000 1.027 415 I CA -1.959 59.263 61.300 -0.130 0.000 1.161 415 I CB 1.392 39.348 38.000 -0.073 0.000 1.300 415 I HN 0.367 nan 8.210 nan 0.000 0.463 416 P HA 0.076 nan 4.420 nan 0.000 0.264 416 P C 0.960 178.222 177.300 -0.063 0.000 1.193 416 P CA 0.673 63.724 63.100 -0.082 0.000 0.763 416 P CB 0.674 32.334 31.700 -0.067 0.000 0.810 417 G N 1.178 109.939 108.800 -0.064 0.000 2.159 417 G HA2 -0.288 3.682 3.960 0.017 0.000 0.256 417 G HA3 -0.288 3.682 3.960 0.017 0.000 0.256 417 G C 0.730 175.572 174.900 -0.096 0.000 0.977 417 G CA 0.818 45.863 45.100 -0.091 0.000 0.652 417 G HN 0.864 nan 8.290 nan 0.000 0.531 418 K N -1.751 118.601 120.400 -0.079 0.000 2.703 418 K HA 0.773 5.103 4.320 0.017 0.000 0.196 418 K C 0.775 177.351 176.600 -0.040 0.000 1.457 418 K CA 1.202 57.453 56.287 -0.061 0.000 1.115 418 K CB 0.374 32.846 32.500 -0.046 0.000 1.661 418 K HN 0.843 nan 8.250 nan 0.000 0.552 419 M N 2.418 121.999 119.600 -0.032 0.000 2.060 419 M HA 0.466 4.956 4.480 0.017 0.000 0.275 419 M C -1.941 174.368 176.300 0.016 0.000 0.919 419 M CA -0.670 54.633 55.300 0.006 0.000 0.970 419 M CB 1.614 34.220 32.600 0.010 0.000 1.670 419 M HN -0.032 nan 8.290 nan 0.000 0.440 420 V N 5.713 125.680 119.914 0.088 0.000 2.315 420 V HA 0.322 4.452 4.120 0.017 0.000 0.265 420 V C 0.204 176.466 176.094 0.280 0.000 1.019 420 V CA -0.365 62.040 62.300 0.177 0.000 0.824 420 V CB 1.023 32.995 31.823 0.248 0.000 1.072 420 V HN 0.752 nan 8.190 nan 0.000 0.448 421 K N 1.948 122.473 120.400 0.209 0.000 2.412 421 K HA 0.600 4.930 4.320 0.017 0.000 0.202 421 K C 0.707 177.348 176.600 0.069 0.000 1.102 421 K CA 0.704 57.029 56.287 0.063 0.000 1.027 421 K CB 1.185 33.672 32.500 -0.022 0.000 0.931 421 K HN 0.890 nan 8.250 nan 0.000 0.557 422 G N 0.663 109.677 108.800 0.356 0.000 2.440 422 G HA2 -0.111 3.859 3.960 0.017 0.000 0.684 422 G HA3 -0.111 3.859 3.960 0.017 0.000 0.684 422 G C 0.159 175.343 174.900 0.474 0.000 1.309 422 G CA -0.190 45.141 45.100 0.385 0.000 0.931 422 G HN -0.006 nan 8.290 nan 0.000 0.612 423 M N 0.573 120.264 119.600 0.151 0.000 2.509 423 M HA 0.361 4.851 4.480 0.017 0.000 0.250 423 M C 1.575 177.909 176.300 0.056 0.000 1.132 423 M CA 1.951 57.241 55.300 -0.016 0.000 1.080 423 M CB -1.364 30.862 32.600 -0.623 0.000 1.408 423 M HN 2.700 nan 8.290 nan 0.000 0.484 424 G N 1.735 110.597 108.800 0.102 0.000 2.634 424 G HA2 -0.340 3.630 3.960 0.017 0.000 0.309 424 G HA3 -0.340 3.630 3.960 0.017 0.000 0.309 424 G C 0.702 175.649 174.900 0.079 0.000 1.265 424 G CA 0.584 45.748 45.100 0.107 0.000 0.998 424 G HN 0.803 nan 8.290 nan 0.000 0.551 425 G N 0.186 109.099 108.800 0.189 0.000 3.088 425 G HA2 0.514 4.484 3.960 0.017 0.000 0.212 425 G HA3 0.514 4.484 3.960 0.017 0.000 0.212 425 G C 1.654 176.683 174.900 0.215 0.000 1.173 425 G CA 1.717 46.987 45.100 0.283 0.000 0.779 425 G HN 1.589 nan 8.290 nan 0.000 0.540 426 A N 0.972 123.862 122.820 0.116 0.000 1.902 426 A HA -0.026 4.304 4.320 0.017 0.000 0.217 426 A C 2.354 179.975 177.584 0.061 0.000 1.181 426 A CA 1.450 53.544 52.037 0.094 0.000 0.623 426 A CB -0.307 18.748 19.000 0.092 0.000 0.818 426 A HN 0.398 nan 8.150 nan 0.000 0.443 427 M N -0.417 119.176 119.600 -0.012 0.000 2.117 427 M HA -0.155 4.335 4.480 0.017 0.000 0.262 427 M C 1.495 177.822 176.300 0.045 0.000 1.065 427 M CA 1.631 56.916 55.300 -0.024 0.000 1.114 427 M CB -0.665 31.861 32.600 -0.122 0.000 1.361 427 M HN 0.412 nan 8.290 nan 0.000 0.408 428 D N 0.661 121.111 120.400 0.083 0.000 2.144 428 D HA -0.127 4.523 4.640 0.017 0.000 0.199 428 D C 2.043 178.456 176.300 0.188 0.000 0.984 428 D CA 1.295 55.397 54.000 0.171 0.000 0.834 428 D CB -0.216 40.767 40.800 0.305 0.000 0.955 428 D HN 0.375 nan 8.370 nan 0.000 0.465 429 L N 0.895 122.228 121.223 0.183 0.000 2.191 429 L HA -0.115 4.235 4.340 0.017 0.000 0.212 429 L C 2.176 179.106 176.870 0.099 0.000 1.103 429 L CA 0.649 55.572 54.840 0.138 0.000 0.769 429 L CB -0.043 42.093 42.059 0.127 0.000 0.908 429 L HN 0.016 nan 8.230 nan 0.000 0.438 430 V N -4.803 115.165 119.914 0.090 0.000 3.376 430 V HA 0.154 4.284 4.120 0.017 0.000 0.313 430 V C 1.816 177.951 176.094 0.068 0.000 1.393 430 V CA 0.510 62.853 62.300 0.072 0.000 1.125 430 V CB 0.098 31.962 31.823 0.068 0.000 1.037 430 V HN 0.356 nan 8.190 nan 0.000 0.440 431 S N -0.609 115.137 115.700 0.076 0.000 2.470 431 S HA 0.124 4.604 4.470 0.017 0.000 0.225 431 S C 1.154 175.783 174.600 0.049 0.000 1.006 431 S CA 0.755 58.995 58.200 0.067 0.000 0.934 431 S CB -0.125 63.129 63.200 0.091 0.000 0.778 431 S HN 0.586 nan 8.310 nan 0.000 0.517 432 S N 0.381 116.111 115.700 0.051 0.000 2.462 432 S HA 0.709 5.189 4.470 0.017 0.000 0.294 432 S C 0.975 175.590 174.600 0.025 0.000 1.144 432 S CA -0.244 57.977 58.200 0.036 0.000 1.088 432 S CB 1.215 64.434 63.200 0.031 0.000 1.009 432 S HN 0.497 nan 8.310 nan 0.000 0.484 433 A N 4.805 127.635 122.820 0.017 0.000 2.067 433 A HA 0.042 4.372 4.320 0.017 0.000 0.219 433 A C 1.684 179.274 177.584 0.011 0.000 1.158 433 A CA 1.021 53.068 52.037 0.015 0.000 0.661 433 A CB -0.205 18.802 19.000 0.013 0.000 0.801 433 A HN 0.846 nan 8.150 nan 0.000 0.452 434 K N -0.151 120.249 120.400 0.001 0.000 2.458 434 K HA 0.083 4.413 4.320 0.017 0.000 0.194 434 K C -0.549 176.052 176.600 0.001 0.000 1.024 434 K CA 0.300 56.581 56.287 -0.010 0.000 1.108 434 K CB 0.188 32.661 32.500 -0.045 0.000 0.846 434 K HN 0.289 nan 8.250 nan 0.000 0.518 435 T N 0.938 115.501 114.554 0.015 0.000 2.861 435 T HA 0.183 4.543 4.350 0.017 0.000 0.287 435 T C -0.867 173.850 174.700 0.030 0.000 1.003 435 T CA -0.724 61.393 62.100 0.028 0.000 0.977 435 T CB 2.272 71.162 68.868 0.036 0.000 0.996 435 T HN -0.016 nan 8.240 nan 0.000 0.448 436 K N 2.435 122.852 120.400 0.029 0.000 2.276 436 K HA 0.520 4.850 4.320 0.017 0.000 0.283 436 K C -1.038 175.573 176.600 0.019 0.000 1.044 436 K CA -0.449 55.850 56.287 0.019 0.000 0.944 436 K CB 0.505 33.009 32.500 0.008 0.000 1.012 436 K HN 0.313 nan 8.250 nan 0.000 0.472 437 V N 5.504 125.430 119.914 0.020 0.000 2.378 437 V HA 0.265 4.395 4.120 0.017 0.000 0.288 437 V C -0.700 175.401 176.094 0.012 0.000 1.016 437 V CA -0.891 61.423 62.300 0.023 0.000 0.840 437 V CB 1.524 33.369 31.823 0.037 0.000 0.994 437 V HN 0.530 nan 8.190 nan 0.000 0.431 438 V N 5.778 125.691 119.914 -0.002 0.000 2.417 438 V HA 0.452 4.582 4.120 0.017 0.000 0.291 438 V C -0.003 176.091 176.094 -0.000 0.000 1.024 438 V CA -0.729 61.562 62.300 -0.014 0.000 0.861 438 V CB 1.904 33.692 31.823 -0.058 0.000 0.985 438 V HN 0.553 nan 8.190 nan 0.000 0.436 439 V N 4.515 124.435 119.914 0.010 0.000 2.432 439 V HA 0.449 4.579 4.120 0.017 0.000 0.275 439 V C 0.545 176.644 176.094 0.008 0.000 1.043 439 V CA -0.186 62.124 62.300 0.016 0.000 0.925 439 V CB 1.939 33.774 31.823 0.021 0.000 0.985 439 V HN 1.057 nan 8.190 nan 0.000 0.466 440 T N 4.460 119.019 114.554 0.008 0.000 2.770 440 T HA 0.828 5.188 4.350 0.017 0.000 0.283 440 T C -0.663 174.042 174.700 0.008 0.000 0.988 440 T CA -0.685 61.416 62.100 0.002 0.000 0.957 440 T CB 1.109 69.976 68.868 -0.002 0.000 0.930 440 T HN 0.766 nan 8.240 nan 0.000 0.443 441 M N 0.418 120.021 119.600 0.004 0.000 2.643 441 M HA 0.584 5.074 4.480 0.017 0.000 0.276 441 M C -1.473 174.832 176.300 0.008 0.000 1.200 441 M CA -0.964 54.340 55.300 0.006 0.000 0.863 441 M CB 1.651 34.254 32.600 0.005 0.000 1.711 441 M HN 0.365 nan 8.290 nan 0.000 0.492 442 E N 1.121 121.328 120.200 0.011 0.000 2.384 442 E HA 0.010 4.370 4.350 0.017 0.000 0.266 442 E C 0.116 176.751 176.600 0.059 0.000 1.012 442 E CA 0.227 56.643 56.400 0.026 0.000 0.901 442 E CB 0.795 30.504 29.700 0.014 0.000 0.967 442 E HN 0.751 nan 8.360 nan 0.000 0.435 443 H N 1.849 120.921 119.070 0.003 0.000 2.352 443 H HA -0.074 4.492 4.556 0.017 0.000 0.299 443 H C -0.072 175.290 175.328 0.057 0.000 1.097 443 H CA 1.556 57.627 56.048 0.039 0.000 1.311 443 H CB 0.488 30.270 29.762 0.035 0.000 1.377 443 H HN 0.230 nan 8.280 nan 0.000 0.504 444 S N -1.186 114.618 115.700 0.172 0.000 2.599 444 S HA 0.709 5.189 4.470 0.017 0.000 0.294 444 S C -0.548 174.081 174.600 0.048 0.000 1.094 444 S CA -0.560 57.707 58.200 0.112 0.000 0.931 444 S CB 2.147 65.424 63.200 0.127 0.000 1.093 444 S HN 0.548 nan 8.310 nan 0.000 0.488 445 A N 1.238 124.072 122.820 0.023 0.000 2.301 445 A HA 0.779 5.109 4.320 0.017 0.000 0.287 445 A C 0.481 178.062 177.584 -0.005 0.000 1.274 445 A CA -0.400 51.641 52.037 0.006 0.000 0.865 445 A CB -0.484 18.516 19.000 0.001 0.000 1.324 445 A HN 1.051 nan 8.150 nan 0.000 0.508 446 K N -0.891 119.504 120.400 -0.009 0.000 2.485 446 K HA 0.446 4.776 4.320 0.017 0.000 0.277 446 K C 1.308 177.894 176.600 -0.024 0.000 0.990 446 K CA 0.592 56.870 56.287 -0.014 0.000 0.994 446 K CB -1.015 31.478 32.500 -0.012 0.000 0.906 446 K HN 2.629 nan 8.250 nan 0.000 0.488 447 G N 0.810 109.596 108.800 -0.025 0.000 2.153 447 G HA2 -0.280 3.690 3.960 0.017 0.000 0.252 447 G HA3 -0.280 3.690 3.960 0.017 0.000 0.252 447 G C 0.607 175.477 174.900 -0.050 0.000 0.994 447 G CA 1.114 46.194 45.100 -0.033 0.000 0.698 447 G HN 2.165 nan 8.290 nan 0.000 0.521 448 N N -1.969 116.704 118.700 -0.045 0.000 2.714 448 N HA -0.132 4.618 4.740 0.017 0.000 0.250 448 N C 0.760 176.182 175.510 -0.147 0.000 1.117 448 N CA 2.091 55.103 53.050 -0.063 0.000 0.719 448 N CB -1.288 37.166 38.487 -0.056 0.000 1.081 448 N HN 1.990 nan 8.380 nan 0.000 0.557 449 A N 0.732 123.483 122.820 -0.114 0.000 2.524 449 A HA 0.177 4.507 4.320 0.017 0.000 0.250 449 A C 0.220 177.747 177.584 -0.095 0.000 1.078 449 A CA 0.012 51.969 52.037 -0.133 0.000 0.761 449 A CB 0.060 19.026 19.000 -0.057 0.000 1.012 449 A HN 0.404 nan 8.150 nan 0.000 0.500 450 H N 1.998 121.082 119.070 0.024 0.000 3.001 450 H HA 0.041 4.606 4.556 0.016 0.000 0.334 450 H C 0.684 176.008 175.328 -0.008 0.000 1.034 450 H CA 0.774 56.834 56.048 0.019 0.000 1.420 450 H CB 0.797 30.568 29.762 0.015 0.000 1.405 450 H HN 0.754 nan 8.280 nan 0.000 0.593 451 K N 2.111 122.574 120.400 0.104 0.000 2.399 451 K HA 0.264 4.594 4.320 0.017 0.000 0.196 451 K C 0.321 176.900 176.600 -0.035 0.000 1.117 451 K CA 0.234 56.532 56.287 0.019 0.000 0.965 451 K CB 0.897 33.392 32.500 -0.008 0.000 0.983 451 K HN 0.369 nan 8.250 nan 0.000 0.531 452 I N 3.404 123.924 120.570 -0.084 0.000 2.312 452 I HA 0.277 4.457 4.170 0.017 0.000 0.290 452 I C -0.173 175.853 176.117 -0.153 0.000 1.008 452 I CA -0.382 60.820 61.300 -0.165 0.000 1.226 452 I CB 0.955 38.780 38.000 -0.291 0.000 1.371 452 I HN 0.074 nan 8.210 nan 0.000 0.468 453 M N 2.870 122.384 119.600 -0.143 0.000 2.924 453 M HA 0.461 4.951 4.480 0.017 0.000 0.271 453 M C 0.124 176.349 176.300 -0.124 0.000 1.280 453 M CA -0.729 54.494 55.300 -0.128 0.000 0.813 453 M CB 2.010 34.579 32.600 -0.053 0.000 1.658 453 M HN 0.329 nan 8.290 nan 0.000 0.467 454 E N 0.933 121.074 120.200 -0.098 0.000 2.072 454 E HA 0.121 4.481 4.350 0.017 0.000 0.190 454 E C 0.274 176.859 176.600 -0.026 0.000 0.982 454 E CA 1.885 58.235 56.400 -0.083 0.000 0.803 454 E CB 0.362 30.030 29.700 -0.053 0.000 0.755 454 E HN 0.604 nan 8.360 nan 0.000 0.453 455 K N -0.189 120.207 120.400 -0.006 0.000 2.464 455 K HA 0.467 4.797 4.320 0.017 0.000 0.253 455 K C -0.837 175.767 176.600 0.006 0.000 0.933 455 K CA -0.416 55.882 56.287 0.017 0.000 0.801 455 K CB 0.640 33.157 32.500 0.028 0.000 1.271 455 K HN 0.223 nan 8.250 nan 0.000 0.430 456 C N 2.095 121.402 119.300 0.011 0.000 2.676 456 C HA 0.353 4.823 4.460 0.017 0.000 0.416 456 C C 2.153 177.147 174.990 0.006 0.000 1.299 456 C CA 0.576 59.599 59.018 0.009 0.000 2.048 456 C CB 0.472 28.222 27.740 0.016 0.000 2.713 456 C HN 0.958 nan 8.230 nan 0.000 0.624 457 T N -0.804 113.751 114.554 0.002 0.000 3.001 457 T HA 0.244 4.604 4.350 0.017 0.000 0.251 457 T C 0.249 174.938 174.700 -0.018 0.000 1.040 457 T CA 0.131 62.228 62.100 -0.005 0.000 0.985 457 T CB -0.081 68.786 68.868 -0.002 0.000 1.011 457 T HN 0.523 nan 8.240 nan 0.000 0.509 458 L N 1.931 123.141 121.223 -0.022 0.000 2.379 458 L HA 0.496 4.846 4.340 0.017 0.000 0.269 458 L C -2.359 174.483 176.870 -0.046 0.000 1.084 458 L CA -2.783 52.026 54.840 -0.052 0.000 0.802 458 L CB 0.802 42.826 42.059 -0.058 0.000 1.175 458 L HN -0.090 nan 8.230 nan 0.000 0.448 459 P HA 0.002 nan 4.420 nan 0.000 0.263 459 P C -0.731 176.626 177.300 0.095 0.000 1.175 459 P CA 0.228 63.306 63.100 -0.036 0.000 0.761 459 P CB 0.330 31.906 31.700 -0.208 0.000 0.794 460 L N 2.490 123.831 121.223 0.197 0.000 2.371 460 L HA 0.155 4.505 4.340 0.017 0.000 0.272 460 L C 1.557 178.657 176.870 0.384 0.000 1.124 460 L CA -0.010 54.959 54.840 0.215 0.000 0.816 460 L CB 0.527 42.651 42.059 0.108 0.000 1.129 460 L HN 0.417 nan 8.230 nan 0.000 0.448 461 T N 0.600 115.344 114.554 0.316 0.000 3.009 461 T HA 0.147 4.507 4.350 0.017 0.000 0.258 461 T C 0.561 175.308 174.700 0.079 0.000 1.063 461 T CA 0.658 62.876 62.100 0.198 0.000 1.139 461 T CB 0.362 69.359 68.868 0.215 0.000 0.890 461 T HN 0.799 nan 8.240 nan 0.000 0.471 462 G N 0.532 109.384 108.800 0.087 0.000 2.703 462 G HA2 0.544 4.514 3.960 0.017 0.000 0.294 462 G HA3 0.544 4.514 3.960 0.017 0.000 0.294 462 G C -1.822 173.108 174.900 0.051 0.000 1.451 462 G CA -0.753 44.382 45.100 0.058 0.000 0.869 462 G HN 0.076 nan 8.290 nan 0.000 0.516 463 K N 0.947 121.370 120.400 0.038 0.000 2.213 463 K HA 0.392 4.722 4.320 0.017 0.000 0.270 463 K C 0.178 176.818 176.600 0.068 0.000 1.002 463 K CA -0.302 56.006 56.287 0.035 0.000 0.868 463 K CB 0.499 32.990 32.500 -0.015 0.000 1.093 463 K HN 0.625 nan 8.250 nan 0.000 0.454 464 Q N 1.975 121.817 119.800 0.071 0.000 2.452 464 Q HA -0.247 4.103 4.340 0.017 0.000 0.318 464 Q C 0.312 176.354 176.000 0.070 0.000 1.386 464 Q CA 0.625 56.476 55.803 0.081 0.000 0.872 464 Q CB -2.123 26.660 28.738 0.074 0.000 1.151 464 Q HN 0.879 nan 8.270 nan 0.000 0.417 465 C N -5.078 114.260 119.300 0.064 0.000 3.730 465 C HA 0.410 4.880 4.460 0.017 0.000 0.397 465 C C 0.899 175.919 174.990 0.049 0.000 1.468 465 C CA -0.264 58.788 59.018 0.056 0.000 1.931 465 C CB -0.058 27.718 27.740 0.060 0.000 2.773 465 C HN 0.264 nan 8.230 nan 0.000 0.692 466 V N 3.941 123.883 119.914 0.046 0.000 2.488 466 V HA 0.187 4.317 4.120 0.017 0.000 0.277 466 V C 0.567 176.682 176.094 0.036 0.000 1.046 466 V CA 0.748 63.071 62.300 0.038 0.000 0.986 466 V CB 0.637 32.478 31.823 0.030 0.000 0.989 466 V HN 0.475 nan 8.190 nan 0.000 0.475 467 N N 2.962 121.682 118.700 0.032 0.000 2.387 467 N HA 0.129 4.879 4.740 0.017 0.000 0.176 467 N C 0.679 176.209 175.510 0.034 0.000 1.022 467 N CA 0.283 53.352 53.050 0.032 0.000 0.883 467 N CB 0.333 38.835 38.487 0.024 0.000 1.019 467 N HN 0.647 nan 8.380 nan 0.000 0.435 468 R N 0.423 120.941 120.500 0.029 0.000 2.626 468 R HA 0.483 4.833 4.340 0.017 0.000 0.274 468 R C -1.960 174.365 176.300 0.043 0.000 1.031 468 R CA -0.496 55.627 56.100 0.038 0.000 0.898 468 R CB 1.202 31.509 30.300 0.012 0.000 1.222 468 R HN -0.078 nan 8.270 nan 0.000 0.455 469 I N 5.424 126.044 120.570 0.083 0.000 2.410 469 I HA 0.366 4.546 4.170 0.017 0.000 0.286 469 I C -0.424 175.733 176.117 0.066 0.000 1.009 469 I CA -0.699 60.654 61.300 0.089 0.000 1.111 469 I CB 1.860 39.957 38.000 0.161 0.000 1.262 469 I HN 0.451 nan 8.210 nan 0.000 0.443 470 I N 5.996 126.578 120.570 0.021 0.000 2.321 470 I HA 0.350 4.530 4.170 0.017 0.000 0.291 470 I C 0.679 176.802 176.117 0.011 0.000 0.998 470 I CA -0.063 61.234 61.300 -0.004 0.000 1.227 470 I CB 1.711 39.695 38.000 -0.027 0.000 1.368 470 I HN 0.663 nan 8.210 nan 0.000 0.466 471 T N 1.384 115.953 114.554 0.025 0.000 2.718 471 T HA 0.293 4.653 4.350 0.017 0.000 0.267 471 T C 0.790 175.492 174.700 0.003 0.000 0.957 471 T CA -0.537 61.597 62.100 0.056 0.000 1.025 471 T CB 1.458 70.458 68.868 0.220 0.000 1.355 471 T HN 0.613 nan 8.240 nan 0.000 0.572 472 E N 0.245 120.429 120.200 -0.026 0.000 2.442 472 E HA 0.068 4.428 4.350 0.017 0.000 0.195 472 E C 1.121 177.623 176.600 -0.164 0.000 1.030 472 E CA 0.445 56.752 56.400 -0.155 0.000 0.869 472 E CB -0.008 29.563 29.700 -0.215 0.000 0.857 472 E HN 0.770 nan 8.360 nan 0.000 0.505 473 K N 0.249 120.608 120.400 -0.069 0.000 2.306 473 K HA 0.394 4.724 4.320 0.017 0.000 0.200 473 K C 0.843 177.406 176.600 -0.061 0.000 1.083 473 K CA 0.693 56.936 56.287 -0.074 0.000 0.959 473 K CB 0.917 33.255 32.500 -0.271 0.000 0.994 473 K HN 0.098 nan 8.250 nan 0.000 0.492 474 A N 1.111 123.871 122.820 -0.100 0.000 2.527 474 A HA 0.638 4.968 4.320 0.017 0.000 0.293 474 A C -1.224 176.182 177.584 -0.297 0.000 1.117 474 A CA -0.612 51.237 52.037 -0.312 0.000 0.723 474 A CB 1.898 20.474 19.000 -0.706 0.000 1.313 474 A HN -0.073 nan 8.150 nan 0.000 0.411 475 V N 1.114 120.797 119.914 -0.385 0.000 2.444 475 V HA 0.540 4.670 4.120 0.017 0.000 0.294 475 V C -1.327 174.527 176.094 -0.400 0.000 1.022 475 V CA -0.194 61.947 62.300 -0.265 0.000 0.850 475 V CB 0.849 32.596 31.823 -0.127 0.000 0.992 475 V HN 0.661 nan 8.190 nan 0.000 0.426 476 F N 1.972 121.887 119.950 -0.059 0.000 2.469 476 F HA 0.533 5.071 4.527 0.018 0.000 0.332 476 F C 0.522 176.298 175.800 -0.041 0.000 1.103 476 F CA -0.779 57.178 58.000 -0.071 0.000 0.979 476 F CB 1.344 40.282 39.000 -0.102 0.000 1.137 476 F HN 0.397 nan 8.300 nan 0.000 0.463 477 D N 1.694 122.200 120.400 0.177 0.000 2.264 477 D HA 0.476 5.126 4.640 0.017 0.000 0.249 477 D C -0.765 175.596 176.300 0.102 0.000 1.070 477 D CA 0.017 54.082 54.000 0.108 0.000 0.912 477 D CB 2.206 43.051 40.800 0.075 0.000 1.193 477 D HN 0.122 nan 8.370 nan 0.000 0.427 478 V N 1.838 121.791 119.914 0.065 0.000 2.443 478 V HA 0.238 4.368 4.120 0.017 0.000 0.293 478 V C -0.432 175.695 176.094 0.054 0.000 1.021 478 V CA -0.838 61.484 62.300 0.038 0.000 0.848 478 V CB 1.864 33.700 31.823 0.022 0.000 0.998 478 V HN 0.401 nan 8.190 nan 0.000 0.424 479 D N 2.729 123.169 120.400 0.067 0.000 2.256 479 D HA 0.391 5.041 4.640 0.017 0.000 0.246 479 D C 1.141 177.537 176.300 0.159 0.000 1.042 479 D CA -0.676 53.381 54.000 0.094 0.000 0.841 479 D CB 1.903 42.756 40.800 0.088 0.000 1.223 479 D HN 0.600 nan 8.370 nan 0.000 0.470 480 K N 0.738 121.221 120.400 0.138 0.000 2.288 480 K HA -0.042 4.288 4.320 0.017 0.000 0.201 480 K C 0.955 177.629 176.600 0.123 0.000 1.048 480 K CA 0.590 56.969 56.287 0.153 0.000 0.956 480 K CB 0.232 32.777 32.500 0.075 0.000 0.746 480 K HN 0.054 nan 8.250 nan 0.000 0.461 481 K N 0.625 121.091 120.400 0.110 0.000 2.350 481 K HA 0.187 4.517 4.320 0.017 0.000 0.196 481 K C 1.702 178.411 176.600 0.183 0.000 1.084 481 K CA 0.560 56.887 56.287 0.066 0.000 0.967 481 K CB 0.256 32.770 32.500 0.025 0.000 0.950 481 K HN 0.270 nan 8.250 nan 0.000 0.512 482 K N -0.382 120.127 120.400 0.182 0.000 2.137 482 K HA 0.220 4.550 4.320 0.017 0.000 0.202 482 K C 1.197 177.895 176.600 0.164 0.000 1.052 482 K CA 0.901 57.280 56.287 0.153 0.000 0.961 482 K CB 0.295 32.852 32.500 0.095 0.000 0.741 482 K HN 0.383 nan 8.250 nan 0.000 0.452 483 G N 0.657 109.541 108.800 0.141 0.000 2.445 483 G HA2 -0.203 3.767 3.960 0.017 0.000 0.212 483 G HA3 -0.203 3.767 3.960 0.017 0.000 0.212 483 G C -1.035 173.826 174.900 -0.065 0.000 1.217 483 G CA -0.815 44.216 45.100 -0.115 0.000 1.002 483 G HN 0.051 nan 8.290 nan 0.000 0.574 484 L N 0.803 121.966 121.223 -0.101 0.000 2.357 484 L HA 0.653 5.003 4.340 0.017 0.000 0.273 484 L C 0.283 177.228 176.870 0.124 0.000 1.080 484 L CA -0.530 54.278 54.840 -0.052 0.000 0.803 484 L CB 1.769 43.654 42.059 -0.288 0.000 1.174 484 L HN 0.626 nan 8.230 nan 0.000 0.443 485 T N 3.141 117.816 114.554 0.201 0.000 2.841 485 T HA 0.325 4.685 4.350 0.017 0.000 0.285 485 T C -0.517 174.384 174.700 0.335 0.000 0.991 485 T CA -0.447 61.808 62.100 0.258 0.000 0.966 485 T CB 1.662 70.623 68.868 0.154 0.000 0.962 485 T HN 0.249 nan 8.240 nan 0.000 0.438 486 L N 6.033 127.447 121.223 0.318 0.000 2.433 486 L HA 0.397 4.747 4.340 0.017 0.000 0.284 486 L C 1.018 177.868 176.870 -0.034 0.000 1.120 486 L CA 0.074 54.900 54.840 -0.023 0.000 0.879 486 L CB -0.479 41.506 42.059 -0.123 0.000 1.232 486 L HN 0.783 nan 8.230 nan 0.000 0.454 487 I N 0.115 120.636 120.570 -0.082 0.000 3.265 487 I HA 0.341 4.521 4.170 0.017 0.000 0.282 487 I C 0.168 176.240 176.117 -0.075 0.000 1.207 487 I CA 0.104 61.378 61.300 -0.044 0.000 1.449 487 I CB 0.228 38.218 38.000 -0.016 0.000 1.121 487 I HN 0.500 nan 8.210 nan 0.000 0.442 488 E N 1.209 121.328 120.200 -0.135 0.000 2.367 488 E HA 0.671 5.031 4.350 0.017 0.000 0.273 488 E C -1.755 174.753 176.600 -0.154 0.000 0.903 488 E CA -0.838 55.492 56.400 -0.117 0.000 0.764 488 E CB 3.271 32.920 29.700 -0.086 0.000 1.252 488 E HN 0.150 nan 8.360 nan 0.000 0.446 489 L N 1.584 122.748 121.223 -0.098 0.000 2.493 489 L HA 0.372 4.722 4.340 0.017 0.000 0.265 489 L C -1.602 175.264 176.870 -0.007 0.000 0.954 489 L CA -0.404 54.393 54.840 -0.072 0.000 0.844 489 L CB 1.467 43.483 42.059 -0.072 0.000 1.302 489 L HN 0.697 nan 8.230 nan 0.000 0.405 490 W N 5.712 126.945 121.300 -0.112 0.000 2.591 490 W HA 0.157 4.821 4.660 0.007 0.000 0.330 490 W C 0.099 176.580 176.519 -0.064 0.000 1.435 490 W CA -0.038 57.258 57.345 -0.082 0.000 1.350 490 W CB 0.532 29.945 29.460 -0.080 0.000 1.434 490 W HN 0.868 nan 8.180 nan 0.000 0.553 491 E N 4.059 123.884 120.200 -0.625 0.000 2.534 491 E HA 0.238 4.598 4.350 0.017 0.000 0.264 491 E C 1.078 177.502 176.600 -0.293 0.000 0.981 491 E CA 1.192 57.330 56.400 -0.438 0.000 0.948 491 E CB 0.379 29.787 29.700 -0.487 0.000 0.934 491 E HN 0.692 nan 8.360 nan 0.000 0.459 492 G N 2.377 111.111 108.800 -0.109 0.000 2.284 492 G HA2 -0.268 3.702 3.960 0.017 0.000 0.230 492 G HA3 -0.268 3.702 3.960 0.017 0.000 0.230 492 G C 0.084 175.014 174.900 0.050 0.000 1.021 492 G CA 0.016 45.112 45.100 -0.006 0.000 0.619 492 G HN 0.493 nan 8.290 nan 0.000 0.510 493 L N 2.279 123.549 121.223 0.079 0.000 2.350 493 L HA 0.588 4.938 4.340 0.017 0.000 0.275 493 L C 1.503 178.390 176.870 0.029 0.000 1.099 493 L CA -0.030 54.850 54.840 0.066 0.000 0.808 493 L CB 1.440 43.551 42.059 0.086 0.000 1.149 493 L HN 0.483 nan 8.230 nan 0.000 0.442 494 T N -1.209 113.363 114.554 0.030 0.000 2.880 494 T HA 0.263 4.623 4.350 0.017 0.000 0.279 494 T C 1.100 175.830 174.700 0.051 0.000 0.990 494 T CA -0.819 61.299 62.100 0.031 0.000 0.938 494 T CB 1.241 70.127 68.868 0.031 0.000 1.206 494 T HN 0.211 nan 8.240 nan 0.000 0.573 495 V N 0.686 120.645 119.914 0.076 0.000 2.667 495 V HA -0.063 4.067 4.120 0.017 0.000 0.252 495 V C 2.405 178.606 176.094 0.179 0.000 1.065 495 V CA 1.640 64.028 62.300 0.147 0.000 1.083 495 V CB -0.812 31.111 31.823 0.168 0.000 0.692 495 V HN 0.851 nan 8.190 nan 0.000 0.468 496 D N -0.016 120.450 120.400 0.111 0.000 2.269 496 D HA -0.117 4.533 4.640 0.017 0.000 0.208 496 D C 1.772 178.131 176.300 0.099 0.000 0.963 496 D CA 0.780 54.840 54.000 0.099 0.000 0.864 496 D CB 0.021 40.857 40.800 0.060 0.000 0.936 496 D HN 0.442 nan 8.370 nan 0.000 0.505 497 D N -0.163 120.283 120.400 0.076 0.000 2.123 497 D HA -0.088 4.562 4.640 0.017 0.000 0.200 497 D C 2.299 178.622 176.300 0.038 0.000 0.976 497 D CA 0.455 54.483 54.000 0.047 0.000 0.831 497 D CB -0.032 40.782 40.800 0.024 0.000 0.974 497 D HN 0.095 nan 8.370 nan 0.000 0.469 498 V N 0.976 120.918 119.914 0.046 0.000 2.343 498 V HA -0.238 3.892 4.120 0.017 0.000 0.247 498 V C 2.647 178.898 176.094 0.262 0.000 1.051 498 V CA 1.744 64.062 62.300 0.031 0.000 1.036 498 V CB -0.705 31.108 31.823 -0.017 0.000 0.654 498 V HN 0.177 nan 8.190 nan 0.000 0.451 499 Q N 0.304 120.333 119.800 0.383 0.000 2.084 499 Q HA -0.219 4.131 4.340 0.017 0.000 0.202 499 Q C 2.506 178.658 176.000 0.254 0.000 0.978 499 Q CA 2.187 58.234 55.803 0.406 0.000 0.844 499 Q CB -0.607 28.268 28.738 0.228 0.000 0.898 499 Q HN 0.866 nan 8.270 nan 0.000 0.426 500 K N -0.526 119.989 120.400 0.191 0.000 2.515 500 K HA 0.104 4.434 4.320 0.017 0.000 0.196 500 K C 1.839 178.584 176.600 0.241 0.000 1.038 500 K CA 1.381 57.775 56.287 0.177 0.000 0.967 500 K CB -0.399 32.167 32.500 0.110 0.000 0.780 500 K HN 0.423 nan 8.250 nan 0.000 0.483 501 S N -0.354 115.509 115.700 0.271 0.000 2.540 501 S HA 0.128 4.608 4.470 0.017 0.000 0.222 501 S C 0.119 175.064 174.600 0.575 0.000 1.008 501 S CA -0.085 58.321 58.200 0.344 0.000 0.939 501 S CB 0.728 64.022 63.200 0.157 0.000 0.865 501 S HN 0.577 nan 8.310 nan 0.000 0.499 502 T N 0.808 115.611 114.554 0.415 0.000 2.807 502 T HA 0.452 4.812 4.350 0.017 0.000 0.279 502 T C 0.902 175.384 174.700 -0.362 0.000 0.993 502 T CA -0.555 61.653 62.100 0.179 0.000 0.970 502 T CB 1.651 70.708 68.868 0.316 0.000 0.950 502 T HN 0.162 nan 8.240 nan 0.000 0.441 503 G N 1.037 109.379 108.800 -0.763 0.000 3.262 503 G HA2 0.359 4.329 3.960 0.017 0.000 0.228 503 G HA3 0.359 4.329 3.960 0.017 0.000 0.228 503 G C 0.526 175.226 174.900 -0.333 0.000 1.197 503 G CA -0.148 44.404 45.100 -0.913 0.000 0.819 503 G HN 0.983 nan 8.290 nan 0.000 0.531 504 C N -1.106 118.076 119.300 -0.197 0.000 3.320 504 C HA 0.723 5.193 4.460 0.017 0.000 0.335 504 C C -0.593 174.368 174.990 -0.048 0.000 1.430 504 C CA -1.135 57.809 59.018 -0.123 0.000 1.271 504 C CB 1.475 29.122 27.740 -0.154 0.000 1.609 504 C HN 0.309 nan 8.230 nan 0.000 0.457 505 D N 0.197 120.535 120.400 -0.103 0.000 2.423 505 D HA 0.770 5.420 4.640 0.017 0.000 0.255 505 D C -0.493 175.762 176.300 -0.075 0.000 1.174 505 D CA -0.143 53.733 54.000 -0.208 0.000 1.008 505 D CB 0.561 41.228 40.800 -0.222 0.000 1.101 505 D HN 1.030 nan 8.370 nan 0.000 0.516 506 F N -3.920 115.996 119.950 -0.056 0.000 2.688 506 F HA 0.679 5.216 4.527 0.018 0.000 0.308 506 F C -0.929 174.889 175.800 0.031 0.000 1.117 506 F CA -1.672 56.307 58.000 -0.036 0.000 0.976 506 F CB 0.619 39.612 39.000 -0.011 0.000 1.291 506 F HN 0.533 nan 8.300 nan 0.000 0.439 507 A N 1.212 124.186 122.820 0.256 0.000 2.332 507 A HA 0.700 5.030 4.320 0.017 0.000 0.258 507 A C -0.721 177.057 177.584 0.325 0.000 1.087 507 A CA -0.528 51.623 52.037 0.190 0.000 0.802 507 A CB 0.628 19.704 19.000 0.127 0.000 1.042 507 A HN 1.017 nan 8.150 nan 0.000 0.489 508 V N 1.742 121.785 119.914 0.216 0.000 2.357 508 V HA 0.346 4.476 4.120 0.017 0.000 0.284 508 V C 0.709 176.873 176.094 0.116 0.000 1.018 508 V CA -0.577 61.846 62.300 0.205 0.000 0.841 508 V CB 0.904 32.833 31.823 0.177 0.000 0.991 508 V HN 0.952 nan 8.190 nan 0.000 0.437 509 S N 6.843 122.601 115.700 0.096 0.000 2.558 509 S HA 0.105 4.585 4.470 0.017 0.000 0.293 509 S C -0.476 174.149 174.600 0.042 0.000 1.292 509 S CA -0.528 57.707 58.200 0.059 0.000 1.063 509 S CB 0.817 64.042 63.200 0.041 0.000 0.831 509 S HN 0.740 nan 8.310 nan 0.000 0.499 510 P HA -0.025 nan 4.420 nan 0.000 0.218 510 P C 0.410 177.719 177.300 0.014 0.000 1.149 510 P CA 0.838 63.952 63.100 0.023 0.000 0.817 510 P CB 0.030 31.742 31.700 0.020 0.000 0.785 511 K N -0.028 120.379 120.400 0.012 0.000 2.708 511 K HA 0.177 4.507 4.320 0.017 0.000 0.219 511 K C 0.694 177.293 176.600 -0.002 0.000 1.068 511 K CA -0.733 55.556 56.287 0.003 0.000 1.212 511 K CB -1.708 30.793 32.500 0.003 0.000 0.978 511 K HN 0.124 nan 8.250 nan 0.000 0.475 512 L N 2.245 123.469 121.223 0.002 0.000 2.540 512 L HA 0.174 4.524 4.340 0.017 0.000 0.276 512 L C 0.043 176.899 176.870 -0.024 0.000 1.212 512 L CA 0.935 55.770 54.840 -0.009 0.000 0.893 512 L CB 0.072 42.133 42.059 0.004 0.000 1.138 512 L HN 0.441 nan 8.230 nan 0.000 0.491 513 M N 4.607 124.184 119.600 -0.040 0.000 2.691 513 M HA 0.712 5.202 4.480 0.017 0.000 0.293 513 M C -2.619 173.636 176.300 -0.075 0.000 1.259 513 M CA -2.032 53.237 55.300 -0.052 0.000 0.827 513 M CB 1.623 34.195 32.600 -0.047 0.000 1.753 513 M HN 0.247 nan 8.290 nan 0.000 0.465 514 P HA 0.075 nan 4.420 nan 0.000 0.269 514 P C -0.857 176.366 177.300 -0.128 0.000 1.209 514 P CA -0.055 62.958 63.100 -0.146 0.000 0.776 514 P CB 0.563 32.144 31.700 -0.199 0.000 0.876 515 M N 2.779 122.309 119.600 -0.117 0.000 2.269 515 M HA -0.014 4.476 4.480 0.017 0.000 0.350 515 M C 0.394 176.673 176.300 -0.036 0.000 1.429 515 M CA 0.457 55.739 55.300 -0.029 0.000 1.063 515 M CB 0.007 32.678 32.600 0.119 0.000 1.841 515 M HN 0.313 nan 8.290 nan 0.000 0.455 516 Q N 3.732 123.525 119.800 -0.013 0.000 2.394 516 Q HA 0.212 4.562 4.340 0.017 0.000 0.248 516 Q C -0.949 175.073 176.000 0.037 0.000 0.992 516 Q CA -0.173 55.625 55.803 -0.008 0.000 0.888 516 Q CB 0.908 29.640 28.738 -0.010 0.000 1.257 516 Q HN 0.568 nan 8.270 nan 0.000 0.462 517 Q N 1.609 121.431 119.800 0.036 0.000 2.285 517 Q HA 0.342 4.692 4.340 0.017 0.000 0.269 517 Q C -0.897 175.137 176.000 0.056 0.000 1.030 517 Q CA -0.540 55.302 55.803 0.065 0.000 0.788 517 Q CB 2.416 31.218 28.738 0.107 0.000 1.266 517 Q HN 0.693 nan 8.270 nan 0.000 0.438 518 I N 2.156 122.765 120.570 0.066 0.000 2.662 518 I HA 0.124 4.304 4.170 0.017 0.000 0.285 518 I C 0.173 176.357 176.117 0.112 0.000 1.161 518 I CA 0.226 61.582 61.300 0.094 0.000 1.415 518 I CB 0.418 38.500 38.000 0.137 0.000 1.385 518 I HN 0.729 nan 8.210 nan 0.000 0.552 519 A N 0.000 122.870 122.820 0.084 0.000 2.254 519 A HA 0.000 4.330 4.320 0.017 0.000 0.244 519 A CA 0.000 52.084 52.037 0.078 0.000 0.836 519 A CB 0.000 19.029 19.000 0.048 0.000 0.831 519 A HN 0.000 nan 8.150 nan 0.000 0.486