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 1g5h_1_D DATA FIRST_RESID 40 DATA SEQUENCE REALVDLCRR RHFLSGTPQQ LSTAALLSGC HARFGPLGVE LRKNLASQWW DATA SEQUENCE SSXVVFREQV FAVDSLHQEP GXXXXRDSAF RLVSPESIRE ILQDREPSKE DATA SEQUENCE QLVAFLENLL KTSGKLRATL LHGALEHYVN CLDLVNRKLP FGLAQIGVCF DATA SEQUENCE HPVSXXXXXX XXXXRVGEKT EASLVWFTPT RTSSQWLDFW LRHRLLWWRK DATA SEQUENCE FAXSPSNFSS ADCQDELGRK GSKLYYSFPW GKEPIETLWN LGDQELLHTY DATA SEQUENCE PGNVSTIQGR DGRKNVVPCV LSVSGDVDLG TLAYLYDSFQ LAENSFARKK DATA SEQUENCE SLQRKVLKLH PCLAPIKVAL DVGKGPTVEL RQVCQGLLNE LLENGISVWP DATA SEQUENCE GYSETVHSSL EQLHSKYDEX SVLFSVLVTE TTLENGLIQL RSRDTTXKEX DATA SEQUENCE XHISKLRDFL VKYLASASNV AAALDHHHH 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 R HA 0.000 nan 4.340 nan 0.000 0.208 40 R C 0.000 176.297 176.300 -0.005 0.000 0.893 40 R CA 0.000 56.096 56.100 -0.007 0.000 0.921 40 R CB 0.000 30.291 30.300 -0.014 0.000 0.687 41 E N 2.676 122.875 120.200 -0.001 0.000 2.502 41 E HA -0.035 4.315 4.350 0.000 0.000 0.261 41 E C 0.470 177.027 176.600 -0.071 0.000 0.974 41 E CA 1.015 57.410 56.400 -0.008 0.000 0.936 41 E CB 1.315 31.037 29.700 0.036 0.000 0.926 41 E HN 0.702 nan 8.360 nan 0.000 0.459 42 A N 6.089 128.855 122.820 -0.091 0.000 1.908 42 A HA -0.197 4.123 4.320 0.000 0.000 0.218 42 A C 2.036 179.436 177.584 -0.307 0.000 1.181 42 A CA 1.204 53.176 52.037 -0.109 0.000 0.627 42 A CB -0.353 18.660 19.000 0.021 0.000 0.818 42 A HN 0.710 nan 8.150 nan 0.000 0.445 43 L N 0.196 121.033 121.223 -0.644 0.000 2.005 43 L HA -0.103 4.237 4.340 0.000 0.000 0.207 43 L C 2.405 179.020 176.870 -0.424 0.000 1.072 43 L CA 2.218 56.545 54.840 -0.855 0.000 0.744 43 L CB -0.929 40.459 42.059 -1.118 0.000 0.895 43 L HN 0.260 nan 8.230 nan 0.000 0.433 44 V N 0.691 120.425 119.914 -0.301 0.000 2.407 44 V HA -0.298 3.822 4.120 0.000 0.000 0.248 44 V C 2.397 178.436 176.094 -0.092 0.000 1.055 44 V CA 2.023 64.231 62.300 -0.152 0.000 1.049 44 V CB -0.717 31.070 31.823 -0.060 0.000 0.662 44 V HN 0.504 nan 8.190 nan 0.000 0.455 45 D N -0.014 120.332 120.400 -0.089 0.000 2.104 45 D HA -0.218 4.422 4.640 0.000 0.000 0.194 45 D C 2.133 178.410 176.300 -0.038 0.000 0.994 45 D CA 1.661 55.630 54.000 -0.051 0.000 0.830 45 D CB -0.151 40.627 40.800 -0.036 0.000 0.959 45 D HN 0.381 nan 8.370 nan 0.000 0.452 46 L N -0.241 120.957 121.223 -0.041 0.000 2.012 46 L HA -0.206 4.134 4.340 0.000 0.000 0.210 46 L C 2.244 179.136 176.870 0.037 0.000 1.073 46 L CA 1.489 56.334 54.840 0.008 0.000 0.748 46 L CB -0.386 41.698 42.059 0.041 0.000 0.891 46 L HN 0.258 nan 8.230 nan 0.000 0.431 47 C N -0.295 119.009 119.300 0.006 0.000 2.413 47 C HA -0.171 4.289 4.460 0.000 0.000 0.276 47 C C 2.881 177.950 174.990 0.132 0.000 1.248 47 C CA 1.195 60.282 59.018 0.115 0.000 1.742 47 C CB -1.067 26.690 27.740 0.028 0.000 2.017 47 C HN 0.574 nan 8.230 nan 0.000 0.481 48 R N 1.011 121.526 120.500 0.025 0.000 2.073 48 R HA 0.007 4.347 4.340 0.000 0.000 0.229 48 R C 2.342 178.537 176.300 -0.175 0.000 1.120 48 R CA 1.415 57.494 56.100 -0.035 0.000 0.967 48 R CB -0.481 29.801 30.300 -0.029 0.000 0.862 48 R HN 0.462 nan 8.270 nan 0.000 0.436 49 R N -0.375 120.049 120.500 -0.128 0.000 2.120 49 R HA 0.014 4.354 4.340 0.000 0.000 0.234 49 R C 1.240 177.384 176.300 -0.260 0.000 1.123 49 R CA 1.085 57.082 56.100 -0.172 0.000 0.975 49 R CB -0.016 30.247 30.300 -0.061 0.000 0.866 49 R HN 0.025 nan 8.270 nan 0.000 0.446 50 R N -0.082 120.345 120.500 -0.122 0.000 2.388 50 R HA 0.090 4.430 4.340 0.000 0.000 0.247 50 R C -0.378 175.892 176.300 -0.051 0.000 0.931 50 R CA -0.015 56.065 56.100 -0.033 0.000 1.082 50 R CB -0.283 30.109 30.300 0.154 0.000 1.135 50 R HN 0.334 nan 8.270 nan 0.000 0.525 51 H N -1.141 117.952 119.070 0.039 0.000 2.886 51 H HA -0.174 4.382 4.556 0.000 0.000 0.294 51 H C 0.461 175.750 175.328 -0.064 0.000 1.246 51 H CA 0.725 56.770 56.048 -0.005 0.000 1.142 51 H CB -1.984 27.754 29.762 -0.039 0.000 1.358 51 H HN 0.191 nan 8.280 nan 0.000 0.406 52 F N -0.025 120.002 119.950 0.128 0.000 2.317 52 F HA 0.170 4.697 4.527 0.000 0.000 0.293 52 F C 1.732 177.686 175.800 0.258 0.000 1.085 52 F CA 0.723 58.822 58.000 0.166 0.000 1.390 52 F CB 0.498 39.572 39.000 0.124 0.000 1.077 52 F HN -0.025 nan 8.300 nan 0.000 0.517 53 L N -0.840 120.598 121.223 0.358 0.000 2.313 53 L HA 0.466 4.806 4.340 0.000 0.000 0.268 53 L C 0.266 177.241 176.870 0.176 0.000 1.010 53 L CA -0.729 54.259 54.840 0.245 0.000 0.814 53 L CB 1.789 43.940 42.059 0.154 0.000 1.304 53 L HN -0.074 nan 8.230 nan 0.000 0.441 54 S N -0.487 115.298 115.700 0.142 0.000 2.837 54 S HA 0.983 5.453 4.470 0.000 0.000 0.314 54 S C -0.102 174.568 174.600 0.117 0.000 1.098 54 S CA -0.265 58.019 58.200 0.140 0.000 0.903 54 S CB 1.690 64.976 63.200 0.143 0.000 1.310 54 S HN 1.252 nan 8.310 nan 0.000 0.581 55 G N 0.198 109.055 108.800 0.094 0.000 2.663 55 G HA2 0.222 4.182 3.960 0.000 0.000 0.686 55 G HA3 0.222 4.182 3.960 0.000 0.000 0.686 55 G C -0.189 174.691 174.900 -0.034 0.000 1.288 55 G CA -0.388 44.719 45.100 0.012 0.000 0.836 55 G HN 1.770 nan 8.290 nan 0.000 0.584 56 T N -0.919 113.580 114.554 -0.093 0.000 2.788 56 T HA 0.614 4.964 4.350 0.000 0.000 0.287 56 T C -0.932 173.718 174.700 -0.083 0.000 1.007 56 T CA -0.491 61.565 62.100 -0.073 0.000 1.005 56 T CB 1.561 70.382 68.868 -0.078 0.000 1.012 56 T HN 0.315 nan 8.240 nan 0.000 0.530 57 P HA -0.097 nan 4.420 nan 0.000 0.216 57 P C 1.709 178.965 177.300 -0.074 0.000 1.150 57 P CA 1.138 64.205 63.100 -0.055 0.000 0.843 57 P CB 0.014 31.691 31.700 -0.039 0.000 0.787 58 Q N -0.871 118.878 119.800 -0.085 0.000 2.291 58 Q HA -0.144 4.196 4.340 0.000 0.000 0.205 58 Q C 1.669 177.586 176.000 -0.138 0.000 0.970 58 Q CA 0.992 56.738 55.803 -0.096 0.000 0.876 58 Q CB -0.212 28.474 28.738 -0.086 0.000 0.935 58 Q HN 0.481 nan 8.270 nan 0.000 0.455 59 Q N -0.367 119.311 119.800 -0.204 0.000 2.320 59 Q HA 0.092 4.432 4.340 0.000 0.000 0.201 59 Q C 0.975 176.859 176.000 -0.194 0.000 0.910 59 Q CA 0.038 55.627 55.803 -0.356 0.000 0.946 59 Q CB 0.519 28.783 28.738 -0.791 0.000 1.062 59 Q HN 0.317 nan 8.270 nan 0.000 0.503 60 L N 0.668 121.826 121.223 -0.107 0.000 2.628 60 L HA 0.146 4.486 4.340 0.000 0.000 0.229 60 L C 0.768 177.604 176.870 -0.057 0.000 1.137 60 L CA -0.363 54.448 54.840 -0.048 0.000 0.909 60 L CB 0.174 42.211 42.059 -0.036 0.000 1.137 60 L HN 0.077 nan 8.230 nan 0.000 0.470 61 S N -1.826 113.823 115.700 -0.085 0.000 2.593 61 S HA 0.069 4.539 4.470 0.000 0.000 0.269 61 S C 1.295 175.791 174.600 -0.174 0.000 1.334 61 S CA -0.274 57.855 58.200 -0.118 0.000 1.015 61 S CB 1.337 64.466 63.200 -0.118 0.000 0.912 61 S HN 0.116 nan 8.310 nan 0.000 0.541 62 T N 2.403 116.783 114.554 -0.291 0.000 2.684 62 T HA -0.127 4.223 4.350 0.000 0.000 0.267 62 T C 2.187 176.626 174.700 -0.434 0.000 1.036 62 T CA 1.826 63.599 62.100 -0.544 0.000 1.148 62 T CB -0.994 67.315 68.868 -0.931 0.000 0.863 62 T HN 0.852 nan 8.240 nan 0.000 0.436 63 A N 1.429 124.063 122.820 -0.310 0.000 1.883 63 A HA 0.071 4.391 4.320 0.000 0.000 0.217 63 A C 2.649 180.159 177.584 -0.124 0.000 1.186 63 A CA 2.053 53.965 52.037 -0.207 0.000 0.624 63 A CB -1.175 17.737 19.000 -0.147 0.000 0.822 63 A HN 0.528 nan 8.150 nan 0.000 0.444 64 A N -0.546 122.220 122.820 -0.090 0.000 1.898 64 A HA 0.014 4.335 4.320 0.000 0.000 0.216 64 A C 2.149 179.771 177.584 0.062 0.000 1.181 64 A CA 1.409 53.448 52.037 0.002 0.000 0.620 64 A CB -0.562 18.423 19.000 -0.025 0.000 0.819 64 A HN 0.468 nan 8.150 nan 0.000 0.442 65 L N -0.742 120.474 121.223 -0.011 0.000 2.201 65 L HA -0.110 4.230 4.340 0.000 0.000 0.212 65 L C 2.289 179.107 176.870 -0.088 0.000 1.105 65 L CA 0.742 55.559 54.840 -0.039 0.000 0.775 65 L CB -0.322 41.708 42.059 -0.048 0.000 0.913 65 L HN 0.379 nan 8.230 nan 0.000 0.440 66 L N -1.112 120.043 121.223 -0.112 0.000 2.270 66 L HA -0.064 4.276 4.340 0.000 0.000 0.210 66 L C 2.735 179.595 176.870 -0.017 0.000 1.104 66 L CA 0.898 55.687 54.840 -0.086 0.000 0.804 66 L CB -0.322 41.655 42.059 -0.137 0.000 0.937 66 L HN 0.309 nan 8.230 nan 0.000 0.450 67 S N -0.278 115.425 115.700 0.005 0.000 2.428 67 S HA -0.021 4.449 4.470 0.000 0.000 0.230 67 S C 1.696 176.377 174.600 0.135 0.000 1.014 67 S CA 0.652 58.906 58.200 0.091 0.000 0.957 67 S CB -0.196 63.038 63.200 0.056 0.000 0.784 67 S HN 0.500 nan 8.310 nan 0.000 0.499 68 G N -0.190 108.613 108.800 0.006 0.000 2.160 68 G HA2 -0.268 3.692 3.960 0.000 0.000 0.251 68 G HA3 -0.268 3.692 3.960 0.000 0.000 0.251 68 G C 0.545 175.375 174.900 -0.118 0.000 1.008 68 G CA 0.167 45.221 45.100 -0.077 0.000 0.724 68 G HN 0.608 nan 8.290 nan 0.000 0.514 69 C N 1.292 120.567 119.300 -0.042 0.000 2.626 69 C HA 0.366 4.826 4.460 0.000 0.000 0.266 69 C C 1.004 176.031 174.990 0.060 0.000 1.317 69 C CA 0.559 59.572 59.018 -0.008 0.000 1.716 69 C CB -1.265 26.488 27.740 0.020 0.000 1.819 69 C HN 0.745 nan 8.230 nan 0.000 0.578 70 H N -2.141 116.888 119.070 -0.068 0.000 2.961 70 H HA 0.552 5.108 4.556 0.000 0.000 0.371 70 H C -0.751 174.532 175.328 -0.074 0.000 1.190 70 H CA -0.708 55.304 56.048 -0.059 0.000 1.138 70 H CB 1.242 30.970 29.762 -0.056 0.000 1.816 70 H HN -0.062 nan 8.280 nan 0.000 0.551 71 A N 3.068 125.814 122.820 -0.124 0.000 2.473 71 A HA 0.124 4.444 4.320 0.000 0.000 0.282 71 A C 1.086 178.508 177.584 -0.271 0.000 1.163 71 A CA -0.387 51.554 52.037 -0.159 0.000 0.827 71 A CB -0.383 18.608 19.000 -0.015 0.000 1.098 71 A HN 0.778 nan 8.150 nan 0.000 0.515 72 R N 1.511 121.673 120.500 -0.563 0.000 2.189 72 R HA 0.041 4.382 4.340 0.000 0.000 0.218 72 R C -0.668 175.339 176.300 -0.488 0.000 1.074 72 R CA 0.698 56.383 56.100 -0.691 0.000 0.991 72 R CB 0.039 29.722 30.300 -1.029 0.000 0.883 72 R HN 0.636 nan 8.270 nan 0.000 0.457 73 F N 0.066 120.039 119.950 0.037 0.000 2.443 73 F HA 0.445 4.972 4.527 0.000 0.000 0.335 73 F C 1.213 177.064 175.800 0.086 0.000 1.104 73 F CA -1.322 56.728 58.000 0.085 0.000 1.013 73 F CB 1.096 40.144 39.000 0.080 0.000 1.136 73 F HN -0.094 nan 8.300 nan 0.000 0.470 74 G N 2.021 111.004 108.800 0.305 0.000 2.563 74 G HA2 0.350 4.310 3.960 0.000 0.000 0.283 74 G HA3 0.350 4.310 3.960 0.000 0.000 0.283 74 G C -1.982 173.005 174.900 0.145 0.000 1.309 74 G CA -1.256 43.970 45.100 0.211 0.000 1.022 74 G HN 0.397 nan 8.290 nan 0.000 0.501 75 P HA -0.086 nan 4.420 nan 0.000 0.216 75 P C 2.013 179.290 177.300 -0.038 0.000 1.150 75 P CA 0.637 63.748 63.100 0.019 0.000 0.837 75 P CB 0.128 31.826 31.700 -0.003 0.000 0.786 76 L N -0.738 120.396 121.223 -0.148 0.000 2.093 76 L HA -0.012 4.328 4.340 0.000 0.000 0.208 76 L C 2.650 179.415 176.870 -0.174 0.000 1.085 76 L CA 2.149 56.773 54.840 -0.360 0.000 0.755 76 L CB -1.829 39.597 42.059 -1.054 0.000 0.904 76 L HN 0.006 nan 8.230 nan 0.000 0.435 77 G N -1.136 107.663 108.800 -0.001 0.000 2.418 77 G HA2 -0.185 3.775 3.960 0.000 0.000 0.217 77 G HA3 -0.185 3.775 3.960 0.000 0.000 0.217 77 G C 1.605 176.437 174.900 -0.114 0.000 1.158 77 G CA 1.043 46.220 45.100 0.129 0.000 0.771 77 G HN 0.255 nan 8.290 nan 0.000 0.545 78 V N 0.549 120.458 119.914 -0.009 0.000 2.358 78 V HA -0.105 4.015 4.120 0.000 0.000 0.246 78 V C 2.631 178.690 176.094 -0.059 0.000 1.047 78 V CA 2.146 64.426 62.300 -0.033 0.000 1.035 78 V CB -0.201 31.647 31.823 0.042 0.000 0.658 78 V HN 0.404 nan 8.190 nan 0.000 0.452 79 E N 0.355 120.533 120.200 -0.037 0.000 2.072 79 E HA -0.211 4.139 4.350 0.000 0.000 0.191 79 E C 1.938 178.518 176.600 -0.034 0.000 0.985 79 E CA 1.162 57.544 56.400 -0.030 0.000 0.801 79 E CB -0.422 29.267 29.700 -0.019 0.000 0.750 79 E HN 0.415 nan 8.360 nan 0.000 0.452 80 L N 1.000 122.209 121.223 -0.022 0.000 2.012 80 L HA -0.140 4.200 4.340 0.000 0.000 0.210 80 L C 2.389 179.205 176.870 -0.091 0.000 1.073 80 L CA 2.130 56.959 54.840 -0.018 0.000 0.748 80 L CB -0.586 41.523 42.059 0.085 0.000 0.891 80 L HN 0.087 nan 8.230 nan 0.000 0.431 81 R N -0.353 120.046 120.500 -0.170 0.000 2.092 81 R HA -0.234 4.106 4.340 0.000 0.000 0.231 81 R C 2.430 178.680 176.300 -0.084 0.000 1.119 81 R CA 1.769 57.766 56.100 -0.172 0.000 0.970 81 R CB -0.214 29.895 30.300 -0.317 0.000 0.864 81 R HN 0.447 nan 8.270 nan 0.000 0.440 82 K N 0.438 120.795 120.400 -0.071 0.000 2.057 82 K HA -0.139 4.181 4.320 0.000 0.000 0.207 82 K C 1.714 178.294 176.600 -0.033 0.000 1.049 82 K CA 1.918 58.179 56.287 -0.043 0.000 0.931 82 K CB -0.078 32.400 32.500 -0.036 0.000 0.714 82 K HN 0.161 nan 8.250 nan 0.000 0.440 83 N N 0.756 119.426 118.700 -0.051 0.000 2.104 83 N HA -0.173 4.567 4.740 0.000 0.000 0.190 83 N C 1.634 177.082 175.510 -0.104 0.000 1.024 83 N CA 1.186 54.194 53.050 -0.070 0.000 0.853 83 N CB -0.361 38.072 38.487 -0.091 0.000 1.008 83 N HN 0.173 nan 8.380 nan 0.000 0.424 84 L N 1.046 122.201 121.223 -0.114 0.000 2.017 84 L HA -0.012 4.328 4.340 0.000 0.000 0.208 84 L C 2.100 179.051 176.870 0.135 0.000 1.073 84 L CA 1.594 56.380 54.840 -0.090 0.000 0.745 84 L CB -0.988 41.055 42.059 -0.027 0.000 0.894 84 L HN 0.134 nan 8.230 nan 0.000 0.432 85 A N -1.534 121.345 122.820 0.098 0.000 1.908 85 A HA -0.208 4.112 4.320 0.000 0.000 0.218 85 A C 2.384 180.107 177.584 0.232 0.000 1.181 85 A CA 2.096 54.215 52.037 0.136 0.000 0.627 85 A CB -0.957 18.056 19.000 0.022 0.000 0.818 85 A HN 0.534 nan 8.150 nan 0.000 0.445 86 S N -0.335 115.449 115.700 0.140 0.000 2.382 86 S HA -0.152 4.319 4.470 0.000 0.000 0.228 86 S C 2.077 176.800 174.600 0.205 0.000 1.027 86 S CA 1.280 59.573 58.200 0.155 0.000 0.991 86 S CB -0.270 62.971 63.200 0.067 0.000 0.823 86 S HN 0.595 nan 8.310 nan 0.000 0.469 87 Q N -0.494 119.421 119.800 0.192 0.000 2.167 87 Q HA -0.070 4.270 4.340 0.000 0.000 0.202 87 Q C 1.753 178.056 176.000 0.506 0.000 0.970 87 Q CA 0.866 56.835 55.803 0.278 0.000 0.855 87 Q CB -0.299 28.522 28.738 0.138 0.000 0.911 87 Q HN 0.757 nan 8.270 nan 0.000 0.438 88 W N 0.280 121.760 121.300 0.300 0.000 2.379 88 W HA -0.168 4.492 4.660 -0.000 0.000 0.307 88 W C 2.054 178.513 176.519 -0.101 0.000 1.200 88 W CA 0.999 58.263 57.345 -0.135 0.000 1.297 88 W CB -0.419 28.868 29.460 -0.290 0.000 1.140 88 W HN 0.226 nan 8.180 nan 0.000 0.507 89 W N 0.918 122.348 121.300 0.215 0.000 2.342 89 W HA -0.228 4.432 4.660 -0.000 0.000 0.297 89 W C 2.128 178.541 176.519 -0.178 0.000 1.213 89 W CA 2.226 59.612 57.345 0.067 0.000 1.251 89 W CB -0.791 28.754 29.460 0.142 0.000 1.136 89 W HN -0.152 nan 8.180 nan 0.000 0.526 90 S N 0.289 115.926 115.700 -0.105 0.000 2.383 90 S HA -0.095 4.375 4.470 0.000 0.000 0.227 90 S C 1.174 175.283 174.600 -0.819 0.000 1.026 90 S CA 0.712 58.596 58.200 -0.527 0.000 0.981 90 S CB -0.252 62.635 63.200 -0.520 0.000 0.818 90 S HN 0.013 nan 8.310 nan 0.000 0.472 94 V N 1.046 120.766 119.914 -0.323 0.000 2.250 94 V HA -0.261 3.859 4.120 0.000 0.000 0.250 94 V C 2.052 178.260 176.094 0.191 0.000 1.060 94 V CA 2.755 65.035 62.300 -0.032 0.000 1.030 94 V CB -0.688 31.122 31.823 -0.022 0.000 0.643 94 V HN 0.541 nan 8.190 nan 0.000 0.445 95 F N 1.061 120.966 119.950 -0.076 0.000 2.804 95 F HA 0.210 4.737 4.527 0.000 0.000 0.303 95 F C 1.133 176.907 175.800 -0.044 0.000 1.154 95 F CA 0.118 58.098 58.000 -0.034 0.000 1.401 95 F CB -0.743 38.259 39.000 0.004 0.000 1.106 95 F HN 0.235 nan 8.300 nan 0.000 0.568 96 R N 1.113 121.661 120.500 0.080 0.000 2.483 96 R HA 0.176 4.516 4.340 0.000 0.000 0.303 96 R C 0.896 177.156 176.300 -0.066 0.000 0.987 96 R CA -0.318 55.793 56.100 0.018 0.000 0.881 96 R CB 1.314 31.622 30.300 0.014 0.000 1.177 96 R HN 0.029 nan 8.270 nan 0.000 0.451 97 E N 2.743 122.917 120.200 -0.042 0.000 2.478 97 E HA -0.161 4.189 4.350 0.000 0.000 0.198 97 E C 0.043 176.528 176.600 -0.192 0.000 1.046 97 E CA 1.055 57.394 56.400 -0.101 0.000 0.870 97 E CB 0.299 29.987 29.700 -0.020 0.000 0.818 97 E HN 0.664 nan 8.360 nan 0.000 0.527 98 Q N 0.545 120.283 119.800 -0.103 0.000 2.157 98 Q HA 0.321 4.661 4.340 0.000 0.000 0.229 98 Q C -0.671 175.287 176.000 -0.071 0.000 0.827 98 Q CA -0.208 55.558 55.803 -0.061 0.000 1.055 98 Q CB 1.669 30.509 28.738 0.169 0.000 1.157 98 Q HN -0.051 nan 8.270 nan 0.000 0.482 99 V N 1.413 121.142 119.914 -0.308 0.000 2.384 99 V HA 0.478 4.598 4.120 0.000 0.000 0.287 99 V C -0.798 175.013 176.094 -0.471 0.000 1.020 99 V CA -0.575 61.615 62.300 -0.183 0.000 0.850 99 V CB 0.706 32.452 31.823 -0.129 0.000 0.987 99 V HN 0.161 nan 8.190 nan 0.000 0.436 100 F N 2.255 122.264 119.950 0.098 0.000 2.538 100 F HA 0.792 5.319 4.527 0.000 0.000 0.325 100 F C 0.607 176.475 175.800 0.113 0.000 1.066 100 F CA -0.773 57.279 58.000 0.086 0.000 0.946 100 F CB 1.668 40.720 39.000 0.087 0.000 1.199 100 F HN 0.531 nan 8.300 nan 0.000 0.473 101 A N 1.643 124.679 122.820 0.361 0.000 2.354 101 A HA 0.648 4.968 4.320 0.000 0.000 0.269 101 A C -0.815 176.965 177.584 0.326 0.000 1.109 101 A CA -0.474 51.834 52.037 0.451 0.000 0.800 101 A CB 0.942 20.362 19.000 0.700 0.000 1.045 101 A HN 0.684 nan 8.150 nan 0.000 0.489 102 V N 1.343 121.422 119.914 0.275 0.000 3.007 102 V HA 0.699 4.819 4.120 0.000 0.000 0.311 102 V C -1.606 174.501 176.094 0.021 0.000 1.120 102 V CA -0.476 61.874 62.300 0.084 0.000 0.980 102 V CB 2.432 34.296 31.823 0.068 0.000 1.033 102 V HN 1.135 nan 8.190 nan 0.000 0.429 103 D N 2.559 122.872 120.400 -0.145 0.000 2.879 103 D HA 0.757 5.397 4.640 0.000 0.000 0.236 103 D C -0.873 175.331 176.300 -0.160 0.000 1.171 103 D CA -0.006 53.941 54.000 -0.088 0.000 0.868 103 D CB 2.386 43.169 40.800 -0.029 0.000 1.598 103 D HN 0.865 nan 8.370 nan 0.000 0.497 104 S N 2.268 117.942 115.700 -0.044 0.000 2.627 104 S HA 0.598 5.068 4.470 0.000 0.000 0.283 104 S C -0.304 174.332 174.600 0.060 0.000 1.127 104 S CA -1.043 57.191 58.200 0.057 0.000 0.863 104 S CB 0.737 64.007 63.200 0.117 0.000 1.121 104 S HN 0.496 nan 8.310 nan 0.000 0.479 105 L N 1.195 122.491 121.223 0.120 0.000 2.473 105 L HA 0.241 4.581 4.340 0.000 0.000 0.268 105 L C 1.298 178.225 176.870 0.095 0.000 1.215 105 L CA -0.373 54.555 54.840 0.148 0.000 0.823 105 L CB 0.002 42.148 42.059 0.146 0.000 1.099 105 L HN 0.849 nan 8.230 nan 0.000 0.483 106 H N -1.037 118.107 119.070 0.123 0.000 2.535 106 H HA -0.009 4.547 4.556 0.000 0.000 0.273 106 H C 0.147 175.546 175.328 0.119 0.000 0.983 106 H CA 0.267 56.421 56.048 0.177 0.000 1.238 106 H CB 0.130 30.018 29.762 0.211 0.000 1.412 106 H HN 0.482 nan 8.280 nan 0.000 0.562 107 Q N 0.759 120.659 119.800 0.166 0.000 2.312 107 Q HA 0.417 4.757 4.340 0.000 0.000 0.263 107 Q C -0.949 175.095 176.000 0.072 0.000 0.995 107 Q CA -0.808 55.046 55.803 0.085 0.000 0.853 107 Q CB 2.333 31.102 28.738 0.052 0.000 1.300 107 Q HN 0.254 nan 8.270 nan 0.000 0.448 108 E N 2.226 122.453 120.200 0.045 0.000 2.221 108 E HA 0.440 4.790 4.350 0.000 0.000 0.268 108 E C -2.560 174.040 176.600 0.000 0.000 0.933 108 E CA -2.563 53.851 56.400 0.023 0.000 0.809 108 E CB 1.359 31.052 29.700 -0.011 0.000 1.190 108 E HN 0.469 nan 8.360 nan 0.000 0.406 109 P HA 0.016 nan 4.420 nan 0.000 0.265 109 P C -0.229 177.057 177.300 -0.024 0.000 1.193 109 P CA 0.194 63.286 63.100 -0.013 0.000 0.765 109 P CB 0.552 32.245 31.700 -0.013 0.000 0.823 116 D N 0.869 121.290 120.400 0.035 0.000 2.120 116 D HA -0.132 4.508 4.640 0.000 0.000 0.191 116 D C 1.081 177.416 176.300 0.060 0.000 0.994 116 D CA 2.050 56.077 54.000 0.046 0.000 0.838 116 D CB -0.019 40.818 40.800 0.062 0.000 0.976 116 D HN 0.219 nan 8.370 nan 0.000 0.447 117 S N -1.110 114.652 115.700 0.104 0.000 2.820 117 S HA 0.323 4.793 4.470 0.000 0.000 0.265 117 S C -0.114 174.622 174.600 0.226 0.000 1.043 117 S CA 0.097 58.381 58.200 0.140 0.000 1.245 117 S CB 0.318 63.648 63.200 0.216 0.000 1.187 117 S HN 0.390 nan 8.310 nan 0.000 0.673 118 A N 2.121 125.049 122.820 0.180 0.000 2.600 118 A HA 0.204 4.524 4.320 0.000 0.000 0.253 118 A C -0.041 177.705 177.584 0.271 0.000 0.997 118 A CA 0.559 52.724 52.037 0.212 0.000 0.820 118 A CB -0.701 18.369 19.000 0.117 0.000 0.888 118 A HN 0.423 nan 8.150 nan 0.000 0.508 119 F N 2.482 122.425 119.950 -0.013 0.000 2.563 119 F HA 0.248 4.774 4.527 -0.000 0.000 0.363 119 F C 1.306 177.073 175.800 -0.055 0.000 1.123 119 F CA 0.378 58.356 58.000 -0.036 0.000 1.307 119 F CB 0.512 39.483 39.000 -0.049 0.000 1.115 119 F HN 0.489 nan 8.300 nan 0.000 0.592 120 R N 2.500 123.026 120.500 0.043 0.000 2.486 120 R HA 0.486 4.826 4.340 0.000 0.000 0.286 120 R C -1.122 175.180 176.300 0.004 0.000 0.999 120 R CA -1.180 54.920 56.100 -0.001 0.000 0.993 120 R CB 0.874 31.144 30.300 -0.050 0.000 1.084 120 R HN 0.350 nan 8.270 nan 0.000 0.487 121 L N 1.943 123.159 121.223 -0.011 0.000 2.265 121 L HA 0.370 4.710 4.340 0.000 0.000 0.288 121 L C -0.182 176.681 176.870 -0.011 0.000 1.058 121 L CA -0.241 54.591 54.840 -0.013 0.000 0.809 121 L CB 1.317 43.363 42.059 -0.022 0.000 1.179 121 L HN 0.196 nan 8.230 nan 0.000 0.429 122 V N 1.853 121.768 119.914 0.001 0.000 2.588 122 V HA 0.414 4.534 4.120 0.000 0.000 0.304 122 V C 0.101 176.213 176.094 0.029 0.000 1.042 122 V CA -0.776 61.532 62.300 0.012 0.000 0.877 122 V CB 2.034 33.873 31.823 0.026 0.000 0.996 122 V HN 0.760 nan 8.190 nan 0.000 0.425 123 S N 6.594 122.315 115.700 0.036 0.000 2.510 123 S HA 0.251 4.721 4.470 0.000 0.000 0.279 123 S C -0.912 173.722 174.600 0.056 0.000 1.284 123 S CA -0.921 57.302 58.200 0.039 0.000 1.059 123 S CB 1.056 64.278 63.200 0.038 0.000 0.901 123 S HN 0.671 nan 8.310 nan 0.000 0.491 124 P HA -0.073 nan 4.420 nan 0.000 0.223 124 P C 0.735 178.053 177.300 0.030 0.000 1.151 124 P CA 0.956 64.076 63.100 0.035 0.000 0.787 124 P CB 0.123 31.835 31.700 0.020 0.000 0.788 125 E N 0.633 120.852 120.200 0.031 0.000 2.077 125 E HA -0.142 4.208 4.350 0.000 0.000 0.193 125 E C 2.308 178.930 176.600 0.037 0.000 0.989 125 E CA 1.866 58.281 56.400 0.026 0.000 0.800 125 E CB -0.438 29.276 29.700 0.024 0.000 0.746 125 E HN 0.376 nan 8.360 nan 0.000 0.452 126 S N 0.696 116.442 115.700 0.077 0.000 2.402 126 S HA -0.097 4.373 4.470 0.000 0.000 0.229 126 S C 2.065 176.720 174.600 0.092 0.000 1.021 126 S CA 0.615 58.897 58.200 0.137 0.000 0.974 126 S CB -0.345 62.992 63.200 0.229 0.000 0.800 126 S HN 0.164 nan 8.310 nan 0.000 0.484 127 I N 1.410 122.016 120.570 0.059 0.000 2.286 127 I HA -0.104 4.066 4.170 0.000 0.000 0.245 127 I C 3.103 179.122 176.117 -0.163 0.000 1.104 127 I CA 1.037 62.268 61.300 -0.115 0.000 1.397 127 I CB -0.282 37.713 38.000 -0.008 0.000 1.072 127 I HN 0.239 nan 8.210 nan 0.000 0.417 128 R N 0.851 121.308 120.500 -0.072 0.000 2.080 128 R HA -0.193 4.147 4.340 0.000 0.000 0.236 128 R C 2.216 178.472 176.300 -0.075 0.000 1.137 128 R CA 1.706 57.768 56.100 -0.064 0.000 0.943 128 R CB -0.361 29.921 30.300 -0.030 0.000 0.846 128 R HN 0.394 nan 8.270 nan 0.000 0.431 129 E N 0.217 120.384 120.200 -0.053 0.000 2.086 129 E HA -0.250 4.100 4.350 0.000 0.000 0.200 129 E C 1.930 178.480 176.600 -0.082 0.000 1.012 129 E CA 1.505 57.878 56.400 -0.045 0.000 0.812 129 E CB -0.201 29.494 29.700 -0.010 0.000 0.743 129 E HN 0.200 nan 8.360 nan 0.000 0.453 130 I N 0.443 120.919 120.570 -0.156 0.000 2.315 130 I HA -0.217 3.954 4.170 0.000 0.000 0.248 130 I C 2.030 178.037 176.117 -0.184 0.000 1.117 130 I CA 0.817 61.987 61.300 -0.215 0.000 1.404 130 I CB -0.223 37.490 38.000 -0.479 0.000 1.071 130 I HN 0.113 nan 8.210 nan 0.000 0.419 131 L N -0.213 120.901 121.223 -0.182 0.000 2.201 131 L HA -0.165 4.175 4.340 0.000 0.000 0.212 131 L C 2.381 179.201 176.870 -0.084 0.000 1.105 131 L CA 1.628 56.391 54.840 -0.129 0.000 0.775 131 L CB -1.068 40.922 42.059 -0.115 0.000 0.913 131 L HN 0.383 nan 8.230 nan 0.000 0.440 132 Q N -0.773 118.983 119.800 -0.073 0.000 2.062 132 Q HA -0.081 4.259 4.340 0.000 0.000 0.196 132 Q C 0.169 176.143 176.000 -0.044 0.000 0.967 132 Q CA 0.688 56.461 55.803 -0.049 0.000 0.832 132 Q CB 0.047 28.762 28.738 -0.039 0.000 0.899 132 Q HN 0.382 nan 8.270 nan 0.000 0.442 133 D N 1.626 121.998 120.400 -0.048 0.000 2.750 133 D HA 0.008 4.648 4.640 0.000 0.000 0.225 133 D C -0.049 176.228 176.300 -0.039 0.000 1.067 133 D CA 0.548 54.526 54.000 -0.037 0.000 1.223 133 D CB -0.788 39.992 40.800 -0.034 0.000 1.143 133 D HN 0.155 nan 8.370 nan 0.000 0.460 134 R N 0.883 121.362 120.500 -0.035 0.000 2.312 134 R HA 0.535 4.875 4.340 0.000 0.000 0.311 134 R C 0.683 176.969 176.300 -0.024 0.000 1.004 134 R CA -0.509 55.571 56.100 -0.033 0.000 0.902 134 R CB 0.420 30.698 30.300 -0.036 0.000 1.073 134 R HN 0.375 nan 8.270 nan 0.000 0.457 135 E N 0.592 120.778 120.200 -0.022 0.000 2.175 135 E HA -0.006 4.344 4.350 0.000 0.000 0.114 135 E C -2.343 174.247 176.600 -0.016 0.000 0.725 135 E CA -0.320 56.070 56.400 -0.016 0.000 1.406 135 E CB 0.062 29.754 29.700 -0.013 0.000 1.940 135 E HN 0.665 nan 8.360 nan 0.000 0.470 136 P HA -0.033 nan 4.420 nan 0.000 0.261 136 P C -0.301 176.991 177.300 -0.013 0.000 1.173 136 P CA 0.678 63.766 63.100 -0.021 0.000 0.760 136 P CB 0.724 32.404 31.700 -0.034 0.000 0.783 137 S N 2.370 118.067 115.700 -0.006 0.000 2.584 137 S HA 0.120 4.590 4.470 0.000 0.000 0.273 137 S C 1.240 175.841 174.600 0.002 0.000 1.311 137 S CA -0.665 57.534 58.200 -0.001 0.000 1.034 137 S CB 0.649 63.851 63.200 0.002 0.000 0.939 137 S HN 0.477 nan 8.310 nan 0.000 0.513 138 K N 2.297 122.699 120.400 0.003 0.000 2.360 138 K HA -0.115 4.205 4.320 0.000 0.000 0.201 138 K C 1.390 177.999 176.600 0.015 0.000 1.046 138 K CA 1.621 57.912 56.287 0.007 0.000 0.940 138 K CB -0.071 32.432 32.500 0.005 0.000 0.748 138 K HN 0.791 nan 8.250 nan 0.000 0.465 139 E N 0.099 120.307 120.200 0.014 0.000 2.112 139 E HA -0.142 4.208 4.350 0.000 0.000 0.190 139 E C 1.983 178.600 176.600 0.030 0.000 0.979 139 E CA 0.810 57.221 56.400 0.018 0.000 0.814 139 E CB 0.102 29.810 29.700 0.013 0.000 0.762 139 E HN 0.383 nan 8.360 nan 0.000 0.460 140 Q N 0.194 120.011 119.800 0.029 0.000 2.230 140 Q HA -0.039 4.301 4.340 0.000 0.000 0.202 140 Q C 2.048 178.094 176.000 0.076 0.000 0.963 140 Q CA 0.743 56.572 55.803 0.044 0.000 0.866 140 Q CB 0.183 28.935 28.738 0.024 0.000 0.931 140 Q HN 0.304 nan 8.270 nan 0.000 0.452 141 L N -0.863 120.395 121.223 0.059 0.000 2.354 141 L HA -0.033 4.307 4.340 0.000 0.000 0.212 141 L C 2.065 179.008 176.870 0.121 0.000 1.091 141 L CA 0.157 55.046 54.840 0.082 0.000 0.828 141 L CB 0.120 42.193 42.059 0.024 0.000 0.973 141 L HN 0.020 nan 8.230 nan 0.000 0.461 142 V N 0.068 120.026 119.914 0.074 0.000 2.488 142 V HA -0.155 3.965 4.120 0.000 0.000 0.246 142 V C 2.664 178.792 176.094 0.058 0.000 1.046 142 V CA 1.659 63.993 62.300 0.057 0.000 1.053 142 V CB -0.406 31.435 31.823 0.030 0.000 0.679 142 V HN 0.428 nan 8.190 nan 0.000 0.458 143 A N -0.545 122.312 122.820 0.063 0.000 1.969 143 A HA -0.197 4.123 4.320 0.000 0.000 0.218 143 A C 2.070 179.688 177.584 0.055 0.000 1.169 143 A CA 1.720 53.783 52.037 0.045 0.000 0.635 143 A CB -0.628 18.398 19.000 0.043 0.000 0.810 143 A HN 0.548 nan 8.150 nan 0.000 0.445 144 F N 0.476 120.418 119.950 -0.013 0.000 2.102 144 F HA -0.103 4.424 4.527 0.000 0.000 0.298 144 F C 1.818 177.608 175.800 -0.017 0.000 1.105 144 F CA 1.687 59.679 58.000 -0.014 0.000 1.239 144 F CB -0.253 38.738 39.000 -0.014 0.000 0.991 144 F HN 0.124 nan 8.300 nan 0.000 0.474 145 L N 0.021 121.296 121.223 0.086 0.000 2.191 145 L HA -0.177 4.163 4.340 0.000 0.000 0.212 145 L C 2.373 179.171 176.870 -0.120 0.000 1.103 145 L CA 1.243 56.065 54.840 -0.029 0.000 0.769 145 L CB -0.604 41.500 42.059 0.075 0.000 0.908 145 L HN 0.269 nan 8.230 nan 0.000 0.438 146 E N -0.062 120.086 120.200 -0.086 0.000 2.001 146 E HA -0.248 4.102 4.350 0.000 0.000 0.195 146 E C 1.892 178.408 176.600 -0.139 0.000 1.002 146 E CA 1.162 57.511 56.400 -0.085 0.000 0.819 146 E CB -0.133 29.538 29.700 -0.048 0.000 0.769 146 E HN 0.369 nan 8.360 nan 0.000 0.454 147 N N 1.317 119.913 118.700 -0.174 0.000 2.058 147 N HA -0.248 4.492 4.740 0.000 0.000 0.200 147 N C 1.999 177.358 175.510 -0.251 0.000 1.033 147 N CA 1.459 54.388 53.050 -0.202 0.000 0.880 147 N CB -0.603 37.746 38.487 -0.229 0.000 1.069 147 N HN 0.129 nan 8.380 nan 0.000 0.461 148 L N 0.089 121.066 121.223 -0.410 0.000 2.011 148 L HA -0.260 4.080 4.340 0.000 0.000 0.225 148 L C 2.482 179.239 176.870 -0.189 0.000 1.084 148 L CA 1.501 56.136 54.840 -0.340 0.000 0.791 148 L CB -0.620 41.207 42.059 -0.387 0.000 0.898 148 L HN 0.268 nan 8.230 nan 0.000 0.440 149 L N -0.600 120.527 121.223 -0.159 0.000 2.353 149 L HA -0.205 4.135 4.340 0.000 0.000 0.220 149 L C 2.316 179.135 176.870 -0.086 0.000 1.133 149 L CA 1.740 56.517 54.840 -0.106 0.000 0.798 149 L CB -0.454 41.553 42.059 -0.087 0.000 0.922 149 L HN 0.165 nan 8.230 nan 0.000 0.445 150 K N -2.175 118.169 120.400 -0.093 0.000 2.313 150 K HA 0.094 4.414 4.320 0.000 0.000 0.197 150 K C 1.734 178.295 176.600 -0.065 0.000 1.061 150 K CA 1.111 57.357 56.287 -0.069 0.000 0.980 150 K CB 0.384 32.846 32.500 -0.064 0.000 0.888 150 K HN 0.428 nan 8.250 nan 0.000 0.502 151 T N -1.820 112.684 114.554 -0.082 0.000 3.015 151 T HA 0.137 4.488 4.350 0.000 0.000 0.250 151 T C 1.005 175.668 174.700 -0.060 0.000 1.057 151 T CA -0.258 61.801 62.100 -0.068 0.000 1.066 151 T CB 0.246 69.067 68.868 -0.079 0.000 0.959 151 T HN -0.206 nan 8.240 nan 0.000 0.488 152 S N 1.755 117.412 115.700 -0.072 0.000 2.549 152 S HA 0.559 5.029 4.470 0.000 0.000 0.279 152 S C 0.964 175.541 174.600 -0.038 0.000 1.321 152 S CA -0.622 57.544 58.200 -0.057 0.000 1.054 152 S CB 0.771 63.930 63.200 -0.069 0.000 0.899 152 S HN 0.680 nan 8.310 nan 0.000 0.497 153 G N 1.973 110.758 108.800 -0.025 0.000 2.634 153 G HA2 0.431 4.391 3.960 0.000 0.000 0.255 153 G HA3 0.431 4.391 3.960 0.000 0.000 0.255 153 G C -0.456 174.436 174.900 -0.013 0.000 1.205 153 G CA -0.646 44.445 45.100 -0.015 0.000 0.884 153 G HN 0.699 nan 8.290 nan 0.000 0.549 154 K N -0.371 120.026 120.400 -0.005 0.000 2.435 154 K HA 0.559 4.879 4.320 0.000 0.000 0.251 154 K C -0.777 175.828 176.600 0.008 0.000 0.954 154 K CA -1.040 55.251 56.287 0.007 0.000 0.820 154 K CB 2.006 34.514 32.500 0.014 0.000 1.292 154 K HN 0.290 nan 8.250 nan 0.000 0.436 155 L N 3.367 124.583 121.223 -0.011 0.000 2.455 155 L HA 0.153 4.493 4.340 0.000 0.000 0.272 155 L C 0.831 177.773 176.870 0.120 0.000 1.174 155 L CA -0.434 54.373 54.840 -0.056 0.000 0.869 155 L CB 0.297 42.186 42.059 -0.282 0.000 1.130 155 L HN 0.708 nan 8.230 nan 0.000 0.474 156 R N 2.982 123.611 120.500 0.215 0.000 2.623 156 R HA 0.232 4.572 4.340 0.000 0.000 0.271 156 R C 0.461 176.928 176.300 0.279 0.000 1.043 156 R CA 0.239 56.473 56.100 0.223 0.000 1.083 156 R CB 0.519 30.936 30.300 0.196 0.000 0.974 156 R HN 0.700 nan 8.270 nan 0.000 0.436 157 A N 2.450 125.391 122.820 0.200 0.000 2.115 157 A HA 0.085 4.405 4.320 0.000 0.000 0.211 157 A C 0.744 178.418 177.584 0.150 0.000 1.169 157 A CA 1.057 53.205 52.037 0.185 0.000 0.787 157 A CB 0.162 19.255 19.000 0.156 0.000 0.858 157 A HN 0.941 nan 8.150 nan 0.000 0.474 158 T N -4.617 110.029 114.554 0.153 0.000 2.787 158 T HA 0.549 4.899 4.350 0.000 0.000 0.297 158 T C 0.038 174.805 174.700 0.111 0.000 1.221 158 T CA -0.517 61.653 62.100 0.116 0.000 1.006 158 T CB 0.644 69.581 68.868 0.115 0.000 1.328 158 T HN -0.005 nan 8.240 nan 0.000 0.509 159 L N 1.168 122.429 121.223 0.064 0.000 2.628 159 L HA 0.292 4.632 4.340 0.000 0.000 0.229 159 L C 1.986 178.886 176.870 0.051 0.000 1.137 159 L CA -0.103 54.770 54.840 0.055 0.000 0.909 159 L CB -0.256 41.816 42.059 0.022 0.000 1.137 159 L HN 0.573 nan 8.230 nan 0.000 0.470 160 L N 0.001 121.223 121.223 -0.001 0.000 2.017 160 L HA -0.208 4.132 4.340 0.000 0.000 0.208 160 L C 2.362 179.119 176.870 -0.188 0.000 1.073 160 L CA 2.148 56.913 54.840 -0.125 0.000 0.745 160 L CB -0.517 41.386 42.059 -0.261 0.000 0.894 160 L HN 0.241 nan 8.230 nan 0.000 0.432 161 H N -0.786 118.335 119.070 0.085 0.000 2.352 161 H HA -0.070 4.486 4.556 0.000 0.000 0.299 161 H C 2.130 177.538 175.328 0.132 0.000 1.097 161 H CA 1.572 57.673 56.048 0.089 0.000 1.311 161 H CB -0.649 29.151 29.762 0.064 0.000 1.377 161 H HN 0.504 nan 8.280 nan 0.000 0.504 162 G N 0.221 109.153 108.800 0.220 0.000 2.421 162 G HA2 -0.281 3.679 3.960 0.000 0.000 0.216 162 G HA3 -0.281 3.679 3.960 0.000 0.000 0.216 162 G C 1.932 177.042 174.900 0.351 0.000 1.171 162 G CA 0.930 46.190 45.100 0.267 0.000 0.775 162 G HN 0.529 nan 8.290 nan 0.000 0.543 163 A N 0.717 123.690 122.820 0.255 0.000 1.858 163 A HA 0.062 4.382 4.320 0.000 0.000 0.216 163 A C 2.456 180.294 177.584 0.422 0.000 1.190 163 A CA 1.397 53.633 52.037 0.332 0.000 0.617 163 A CB -0.515 18.642 19.000 0.261 0.000 0.827 163 A HN 0.346 nan 8.150 nan 0.000 0.443 164 L N -0.816 120.597 121.223 0.316 0.000 2.079 164 L HA -0.230 4.110 4.340 0.000 0.000 0.210 164 L C 2.539 179.589 176.870 0.300 0.000 1.081 164 L CA 1.744 56.780 54.840 0.327 0.000 0.752 164 L CB -0.664 41.491 42.059 0.161 0.000 0.896 164 L HN 0.487 nan 8.230 nan 0.000 0.433 165 E N -0.968 119.348 120.200 0.193 0.000 2.204 165 E HA -0.172 4.178 4.350 0.000 0.000 0.194 165 E C 1.697 178.281 176.600 -0.026 0.000 0.989 165 E CA 0.733 57.148 56.400 0.025 0.000 0.824 165 E CB 0.079 29.767 29.700 -0.019 0.000 0.756 165 E HN 0.575 nan 8.360 nan 0.000 0.477 166 H N -1.608 117.605 119.070 0.238 0.000 2.551 166 H HA -0.012 4.544 4.556 0.000 0.000 0.271 166 H C 1.206 176.651 175.328 0.195 0.000 0.984 166 H CA 0.104 56.269 56.048 0.194 0.000 1.164 166 H CB 0.310 30.172 29.762 0.167 0.000 1.437 166 H HN 0.268 nan 8.280 nan 0.000 0.550 167 Y N 1.789 122.215 120.300 0.211 0.000 2.128 167 Y HA -0.249 4.301 4.550 0.000 0.000 0.284 167 Y C 2.201 178.065 175.900 -0.061 0.000 1.154 167 Y CA 1.311 59.420 58.100 0.016 0.000 1.149 167 Y CB -0.521 37.865 38.460 -0.125 0.000 0.976 167 Y HN -0.120 nan 8.280 nan 0.000 0.505 168 V N 1.463 121.272 119.914 -0.174 0.000 2.332 168 V HA -0.353 3.767 4.120 0.000 0.000 0.248 168 V C 2.069 177.964 176.094 -0.331 0.000 1.055 168 V CA 2.199 64.257 62.300 -0.402 0.000 1.038 168 V CB -0.780 30.886 31.823 -0.262 0.000 0.651 168 V HN 0.503 nan 8.190 nan 0.000 0.450 169 N N -0.713 117.878 118.700 -0.181 0.000 2.120 169 N HA -0.173 4.567 4.740 0.000 0.000 0.188 169 N C 1.824 177.159 175.510 -0.292 0.000 1.024 169 N CA 1.768 54.711 53.050 -0.177 0.000 0.852 169 N CB -0.966 37.481 38.487 -0.068 0.000 1.003 169 N HN 0.510 nan 8.380 nan 0.000 0.424 170 C N 0.620 119.722 119.300 -0.331 0.000 2.435 170 C HA 0.087 4.547 4.460 0.000 0.000 0.279 170 C C 2.643 177.119 174.990 -0.857 0.000 1.321 170 C CA -0.023 58.651 59.018 -0.573 0.000 1.752 170 C CB -1.273 26.210 27.740 -0.428 0.000 1.959 170 C HN 0.374 nan 8.230 nan 0.000 0.500 171 L N 1.350 122.119 121.223 -0.757 0.000 2.042 171 L HA -0.125 4.215 4.340 0.000 0.000 0.210 171 L C 2.075 178.650 176.870 -0.492 0.000 1.076 171 L CA 2.793 57.222 54.840 -0.684 0.000 0.749 171 L CB -0.965 40.666 42.059 -0.714 0.000 0.893 171 L HN 0.433 nan 8.230 nan 0.000 0.432 172 D N -1.153 119.001 120.400 -0.410 0.000 2.117 172 D HA -0.252 4.388 4.640 0.000 0.000 0.197 172 D C 2.144 178.262 176.300 -0.303 0.000 0.987 172 D CA 1.333 55.156 54.000 -0.294 0.000 0.829 172 D CB -0.145 40.517 40.800 -0.230 0.000 0.961 172 D HN 0.299 nan 8.370 nan 0.000 0.460 173 L N 0.346 121.337 121.223 -0.388 0.000 2.127 173 L HA -0.050 4.290 4.340 0.000 0.000 0.211 173 L C 1.677 178.320 176.870 -0.379 0.000 1.089 173 L CA 1.370 55.976 54.840 -0.390 0.000 0.757 173 L CB -0.245 41.502 42.059 -0.520 0.000 0.899 173 L HN 0.236 nan 8.230 nan 0.000 0.434 174 V N -3.263 116.374 119.914 -0.462 0.000 3.249 174 V HA 0.266 4.386 4.120 0.000 0.000 0.338 174 V C 0.777 176.746 176.094 -0.209 0.000 1.363 174 V CA -0.070 62.039 62.300 -0.318 0.000 1.205 174 V CB -1.364 30.226 31.823 -0.389 0.000 1.164 174 V HN 0.602 nan 8.190 nan 0.000 0.458 175 N N 2.774 121.354 118.700 -0.199 0.000 2.716 175 N HA -0.250 4.490 4.740 0.000 0.000 0.250 175 N C 0.580 176.021 175.510 -0.116 0.000 1.033 175 N CA 0.923 53.891 53.050 -0.136 0.000 0.727 175 N CB -0.430 38.003 38.487 -0.090 0.000 0.950 175 N HN 0.806 nan 8.380 nan 0.000 0.541 176 R N -2.350 118.057 120.500 -0.154 0.000 4.000 176 R HA -0.207 4.133 4.340 0.000 0.000 0.362 176 R C 0.094 176.380 176.300 -0.022 0.000 1.183 176 R CA 1.214 57.256 56.100 -0.098 0.000 1.011 176 R CB -1.326 28.930 30.300 -0.073 0.000 1.501 176 R HN 0.410 nan 8.270 nan 0.000 0.553 177 K N 2.052 122.437 120.400 -0.024 0.000 2.378 177 K HA 0.191 4.511 4.320 0.000 0.000 0.288 177 K C -0.005 176.667 176.600 0.120 0.000 1.057 177 K CA 0.113 56.420 56.287 0.034 0.000 0.971 177 K CB 0.379 32.892 32.500 0.021 0.000 0.975 177 K HN 0.087 nan 8.250 nan 0.000 0.475 178 L N 6.726 128.006 121.223 0.096 0.000 2.379 178 L HA 0.472 4.812 4.340 0.000 0.000 0.269 178 L C -1.746 175.132 176.870 0.013 0.000 1.084 178 L CA -2.048 52.828 54.840 0.061 0.000 0.802 178 L CB 1.273 43.340 42.059 0.015 0.000 1.175 178 L HN 0.649 nan 8.230 nan 0.000 0.448 179 P HA 0.512 nan 4.420 nan 0.000 0.283 179 P C -1.430 175.586 177.300 -0.473 0.000 1.271 179 P CA -0.356 62.461 63.100 -0.473 0.000 0.841 179 P CB 1.677 32.891 31.700 -0.811 0.000 1.122 180 F N -2.557 116.890 119.950 -0.838 0.000 2.693 180 F HA 0.755 5.282 4.527 0.000 0.000 0.309 180 F C -1.082 174.478 175.800 -0.400 0.000 1.129 180 F CA -0.920 56.783 58.000 -0.495 0.000 0.948 180 F CB 0.954 39.951 39.000 -0.004 0.000 1.315 180 F HN 0.493 nan 8.300 nan 0.000 0.447 181 G N 1.662 110.601 108.800 0.232 0.000 2.498 181 G HA2 0.700 4.660 3.960 0.000 0.000 0.312 181 G HA3 0.700 4.660 3.960 0.000 0.000 0.312 181 G C -2.125 173.074 174.900 0.497 0.000 1.230 181 G CA -1.189 44.144 45.100 0.389 0.000 0.968 181 G HN 0.824 nan 8.290 nan 0.000 0.481 182 L N 0.917 122.385 121.223 0.408 0.000 2.333 182 L HA 0.713 5.053 4.340 0.000 0.000 0.280 182 L C 0.198 177.208 176.870 0.232 0.000 1.004 182 L CA -0.875 54.194 54.840 0.383 0.000 0.820 182 L CB 1.997 44.339 42.059 0.471 0.000 1.247 182 L HN 0.656 nan 8.230 nan 0.000 0.416 183 A N 3.699 126.642 122.820 0.205 0.000 2.365 183 A HA 0.803 5.123 4.320 0.000 0.000 0.318 183 A C -1.041 176.774 177.584 0.384 0.000 1.091 183 A CA -0.459 51.711 52.037 0.222 0.000 0.763 183 A CB 2.071 21.063 19.000 -0.014 0.000 1.248 183 A HN 0.697 nan 8.150 nan 0.000 0.442 184 Q N 1.162 121.190 119.800 0.381 0.000 2.353 184 Q HA 0.648 4.988 4.340 0.000 0.000 0.275 184 Q C -2.127 173.949 176.000 0.128 0.000 1.029 184 Q CA -0.471 55.518 55.803 0.310 0.000 0.848 184 Q CB 1.829 30.654 28.738 0.146 0.000 1.390 184 Q HN 0.717 nan 8.270 nan 0.000 0.401 185 I N 2.566 123.173 120.570 0.061 0.000 2.389 185 I HA 0.833 5.003 4.170 0.000 0.000 0.288 185 I C 0.129 176.194 176.117 -0.087 0.000 0.999 185 I CA -0.569 60.660 61.300 -0.118 0.000 1.129 185 I CB 1.976 39.882 38.000 -0.157 0.000 1.288 185 I HN 0.738 nan 8.210 nan 0.000 0.444 186 G N 4.266 113.008 108.800 -0.096 0.000 2.559 186 G HA2 0.482 4.442 3.960 0.000 0.000 0.291 186 G HA3 0.482 4.442 3.960 0.000 0.000 0.291 186 G C -1.551 173.297 174.900 -0.087 0.000 1.424 186 G CA -0.571 44.487 45.100 -0.070 0.000 0.786 186 G HN 0.243 nan 8.290 nan 0.000 0.485 187 V N -0.370 119.509 119.914 -0.059 0.000 2.614 187 V HA 0.431 4.551 4.120 0.000 0.000 0.291 187 V C 0.133 176.046 176.094 -0.302 0.000 1.049 187 V CA -0.139 62.056 62.300 -0.175 0.000 1.038 187 V CB 0.889 32.609 31.823 -0.172 0.000 0.980 187 V HN 0.826 nan 8.190 nan 0.000 0.481 188 C N 4.669 123.740 119.300 -0.383 0.000 2.634 188 C HA 0.706 5.166 4.460 0.000 0.000 0.313 188 C C -0.461 174.242 174.990 -0.478 0.000 1.198 188 C CA -0.896 57.954 59.018 -0.279 0.000 1.605 188 C CB 1.364 29.081 27.740 -0.038 0.000 2.196 188 C HN 0.704 nan 8.230 nan 0.000 0.486 189 F N 2.820 122.800 119.950 0.050 0.000 2.443 189 F HA 0.542 5.069 4.527 -0.000 0.000 0.335 189 F C 0.699 176.510 175.800 0.018 0.000 1.104 189 F CA -0.290 57.689 58.000 -0.035 0.000 1.013 189 F CB 0.967 39.936 39.000 -0.053 0.000 1.136 189 F HN 0.630 nan 8.300 nan 0.000 0.470 190 H N 0.712 119.836 119.070 0.090 0.000 3.017 190 H HA 0.388 4.944 4.556 0.000 0.000 0.340 190 H C -3.338 171.987 175.328 -0.005 0.000 1.014 190 H CA -2.522 53.554 56.048 0.047 0.000 1.341 190 H CB 1.647 31.428 29.762 0.032 0.000 1.739 190 H HN 0.255 nan 8.280 nan 0.000 0.506 191 P HA -0.050 nan 4.420 nan 0.000 0.261 191 P C -0.102 177.273 177.300 0.125 0.000 1.183 191 P CA 0.052 63.190 63.100 0.063 0.000 0.761 191 P CB 0.734 32.545 31.700 0.184 0.000 0.785 192 V N 3.460 123.416 119.914 0.070 0.000 2.547 192 V HA 0.354 4.474 4.120 0.000 0.000 0.299 192 V C 0.749 176.890 176.094 0.078 0.000 1.040 192 V CA -0.300 62.056 62.300 0.093 0.000 0.913 192 V CB 1.830 33.693 31.823 0.066 0.000 0.992 192 V HN 0.627 nan 8.190 nan 0.000 0.449 205 V N 3.233 122.966 119.914 -0.302 0.000 2.357 205 V HA 0.904 5.024 4.120 0.000 0.000 0.284 205 V C 0.097 176.013 176.094 -0.296 0.000 1.018 205 V CA 0.293 62.365 62.300 -0.380 0.000 0.841 205 V CB 1.260 32.709 31.823 -0.624 0.000 0.991 205 V HN 0.815 nan 8.190 nan 0.000 0.437 206 G N 4.762 113.264 108.800 -0.497 0.000 2.527 206 G HA2 0.464 4.424 3.960 0.000 0.000 0.248 206 G HA3 0.464 4.424 3.960 0.000 0.000 0.248 206 G C -0.482 174.014 174.900 -0.675 0.000 1.231 206 G CA -0.364 44.344 45.100 -0.653 0.000 0.838 206 G HN 0.853 nan 8.290 nan 0.000 0.570 207 E N -0.084 119.894 120.200 -0.370 0.000 2.187 207 E HA 0.416 4.766 4.350 0.000 0.000 0.268 207 E C -0.436 176.064 176.600 -0.167 0.000 0.896 207 E CA -0.721 55.478 56.400 -0.335 0.000 0.766 207 E CB 2.114 31.661 29.700 -0.254 0.000 1.142 207 E HN 0.622 nan 8.360 nan 0.000 0.408 208 K N 0.389 120.713 120.400 -0.127 0.000 2.468 208 K HA 0.436 4.756 4.320 0.000 0.000 0.252 208 K C -1.117 175.452 176.600 -0.051 0.000 0.932 208 K CA -0.704 55.581 56.287 -0.003 0.000 0.794 208 K CB 1.839 34.410 32.500 0.117 0.000 1.241 208 K HN 0.152 nan 8.250 nan 0.000 0.428 209 T N 2.456 117.007 114.554 -0.006 0.000 2.729 209 T HA 0.105 4.455 4.350 0.000 0.000 0.296 209 T C -0.763 173.914 174.700 -0.038 0.000 0.928 209 T CA -0.224 61.857 62.100 -0.032 0.000 1.045 209 T CB 0.651 69.519 68.868 0.000 0.000 0.902 209 T HN 0.640 nan 8.240 nan 0.000 0.500 210 E N 2.082 122.235 120.200 -0.079 0.000 2.191 210 E HA 0.582 4.932 4.350 0.000 0.000 0.278 210 E C -0.874 175.591 176.600 -0.225 0.000 0.972 210 E CA -0.885 55.452 56.400 -0.104 0.000 0.804 210 E CB 0.861 30.521 29.700 -0.067 0.000 1.110 210 E HN 0.666 nan 8.360 nan 0.000 0.394 211 A N 3.517 126.121 122.820 -0.361 0.000 2.256 211 A HA 0.412 4.732 4.320 0.000 0.000 0.317 211 A C -0.659 176.618 177.584 -0.513 0.000 1.318 211 A CA -0.539 51.007 52.037 -0.818 0.000 0.894 211 A CB 1.184 19.256 19.000 -1.547 0.000 1.165 211 A HN 0.404 nan 8.150 nan 0.000 0.525 212 S N 2.534 118.064 115.700 -0.284 0.000 2.473 212 S HA 0.658 5.128 4.470 0.000 0.000 0.307 212 S C -1.075 173.644 174.600 0.198 0.000 1.094 212 S CA -0.514 57.692 58.200 0.011 0.000 1.070 212 S CB 0.915 64.121 63.200 0.009 0.000 1.019 212 S HN 1.160 nan 8.310 nan 0.000 0.480 213 L N 5.866 127.165 121.223 0.127 0.000 2.333 213 L HA 0.761 5.101 4.340 0.000 0.000 0.280 213 L C -1.449 175.356 176.870 -0.108 0.000 1.004 213 L CA -0.393 54.433 54.840 -0.023 0.000 0.820 213 L CB 1.733 43.609 42.059 -0.306 0.000 1.247 213 L HN 0.489 nan 8.230 nan 0.000 0.416 214 V N 5.447 125.315 119.914 -0.077 0.000 2.378 214 V HA 0.334 4.454 4.120 0.000 0.000 0.288 214 V C -0.850 175.057 176.094 -0.312 0.000 1.016 214 V CA -0.485 61.688 62.300 -0.212 0.000 0.840 214 V CB 1.405 33.119 31.823 -0.183 0.000 0.994 214 V HN 0.819 nan 8.190 nan 0.000 0.431 215 W N 6.470 127.393 121.300 -0.628 0.000 2.429 215 W HA 0.622 5.282 4.660 0.000 0.000 0.314 215 W C -1.882 174.206 176.519 -0.718 0.000 1.062 215 W CA -0.876 56.141 57.345 -0.548 0.000 1.211 215 W CB 1.665 30.887 29.460 -0.396 0.000 1.305 215 W HN 0.438 nan 8.180 nan 0.000 0.476 216 F N 4.337 123.779 119.950 -0.847 0.000 2.411 216 F HA 0.425 4.952 4.527 0.000 0.000 0.352 216 F C 0.560 175.867 175.800 -0.821 0.000 1.123 216 F CA -0.367 57.196 58.000 -0.727 0.000 1.044 216 F CB 1.898 40.425 39.000 -0.790 0.000 1.135 216 F HN 0.029 nan 8.300 nan 0.000 0.461 217 T N 3.843 118.210 114.554 -0.310 0.000 2.853 217 T HA 0.490 4.840 4.350 0.000 0.000 0.311 217 T C -2.976 171.719 174.700 -0.009 0.000 1.307 217 T CA -2.173 59.802 62.100 -0.209 0.000 1.019 217 T CB 1.866 70.631 68.868 -0.173 0.000 1.264 217 T HN 0.094 nan 8.240 nan 0.000 0.497 218 P HA 0.208 nan 4.420 nan 0.000 0.269 218 P C 0.825 178.186 177.300 0.101 0.000 1.209 218 P CA 0.022 63.164 63.100 0.070 0.000 0.776 218 P CB 0.229 31.977 31.700 0.079 0.000 0.876 219 T N 2.085 116.687 114.554 0.081 0.000 2.721 219 T HA -0.235 4.115 4.350 0.000 0.000 0.268 219 T C 1.651 176.414 174.700 0.104 0.000 1.038 219 T CA 1.831 63.985 62.100 0.089 0.000 1.145 219 T CB -0.462 68.445 68.868 0.065 0.000 0.858 219 T HN 0.585 nan 8.240 nan 0.000 0.459 220 R N 1.632 122.188 120.500 0.093 0.000 2.152 220 R HA -0.074 4.266 4.340 0.000 0.000 0.232 220 R C 1.919 178.284 176.300 0.108 0.000 1.117 220 R CA 1.817 57.969 56.100 0.087 0.000 0.981 220 R CB -0.953 29.388 30.300 0.069 0.000 0.870 220 R HN 0.495 nan 8.270 nan 0.000 0.451 221 T N -1.564 113.088 114.554 0.164 0.000 3.069 221 T HA 0.090 4.440 4.350 0.000 0.000 0.252 221 T C 1.788 176.679 174.700 0.319 0.000 1.053 221 T CA 0.159 62.390 62.100 0.218 0.000 0.964 221 T CB 0.525 69.605 68.868 0.353 0.000 1.005 221 T HN 0.367 nan 8.240 nan 0.000 0.532 222 S N 2.239 118.103 115.700 0.274 0.000 2.370 222 S HA -0.169 4.301 4.470 0.000 0.000 0.226 222 S C 2.179 176.945 174.600 0.276 0.000 1.033 222 S CA 1.450 59.832 58.200 0.303 0.000 1.011 222 S CB -1.055 62.269 63.200 0.206 0.000 0.852 222 S HN 0.432 nan 8.310 nan 0.000 0.457 223 S N 1.885 117.693 115.700 0.180 0.000 2.368 223 S HA -0.083 4.387 4.470 0.000 0.000 0.224 223 S C 2.136 176.802 174.600 0.111 0.000 1.029 223 S CA 1.414 59.696 58.200 0.138 0.000 0.988 223 S CB -0.475 62.779 63.200 0.091 0.000 0.838 223 S HN 0.605 nan 8.310 nan 0.000 0.462 224 Q N 0.087 119.922 119.800 0.059 0.000 2.084 224 Q HA -0.055 4.285 4.340 0.000 0.000 0.202 224 Q C 1.768 177.714 176.000 -0.089 0.000 0.978 224 Q CA 1.498 57.262 55.803 -0.065 0.000 0.844 224 Q CB -0.339 28.290 28.738 -0.181 0.000 0.898 224 Q HN 0.636 nan 8.270 nan 0.000 0.426 225 W N -0.131 121.220 121.300 0.085 0.000 2.388 225 W HA -0.111 4.549 4.660 0.000 0.000 0.294 225 W C 1.853 178.479 176.519 0.179 0.000 1.212 225 W CA 0.267 57.650 57.345 0.064 0.000 1.271 225 W CB -0.250 29.365 29.460 0.258 0.000 1.126 225 W HN 0.186 nan 8.180 nan 0.000 0.535 226 L N 0.872 122.351 121.223 0.426 0.000 2.012 226 L HA -0.241 4.099 4.340 0.000 0.000 0.210 226 L C 1.914 178.926 176.870 0.237 0.000 1.073 226 L CA 2.638 57.682 54.840 0.340 0.000 0.748 226 L CB -1.177 41.028 42.059 0.244 0.000 0.891 226 L HN 0.022 nan 8.230 nan 0.000 0.431 227 D N -1.671 118.817 120.400 0.148 0.000 2.144 227 D HA -0.300 4.340 4.640 0.000 0.000 0.200 227 D C 2.086 178.408 176.300 0.038 0.000 0.978 227 D CA 1.339 55.381 54.000 0.070 0.000 0.833 227 D CB -0.312 40.503 40.800 0.025 0.000 0.961 227 D HN 0.395 nan 8.370 nan 0.000 0.470 228 F N -0.436 119.420 119.950 -0.156 0.000 2.102 228 F HA -0.061 4.466 4.527 0.000 0.000 0.298 228 F C 1.619 177.275 175.800 -0.241 0.000 1.105 228 F CA 1.464 59.277 58.000 -0.311 0.000 1.239 228 F CB -0.533 38.111 39.000 -0.594 0.000 0.991 228 F HN 0.047 nan 8.300 nan 0.000 0.474 229 W N 0.079 121.459 121.300 0.133 0.000 2.388 229 W HA -0.148 4.512 4.660 -0.000 0.000 0.294 229 W C 2.258 178.746 176.519 -0.052 0.000 1.212 229 W CA 0.651 57.992 57.345 -0.006 0.000 1.271 229 W CB -0.651 28.832 29.460 0.038 0.000 1.126 229 W HN 0.151 nan 8.180 nan 0.000 0.535 230 L N 2.102 123.439 121.223 0.190 0.000 1.989 230 L HA -0.239 4.101 4.340 0.000 0.000 0.211 230 L C 2.670 179.563 176.870 0.037 0.000 1.071 230 L CA 2.410 57.311 54.840 0.101 0.000 0.749 230 L CB -1.052 41.046 42.059 0.064 0.000 0.890 230 L HN 0.077 nan 8.230 nan 0.000 0.431 231 R N -1.739 118.727 120.500 -0.057 0.000 2.073 231 R HA -0.222 4.118 4.340 0.000 0.000 0.234 231 R C 2.421 178.629 176.300 -0.153 0.000 1.134 231 R CA 1.681 57.709 56.100 -0.121 0.000 0.952 231 R CB -1.519 28.669 30.300 -0.185 0.000 0.850 231 R HN 0.575 nan 8.270 nan 0.000 0.433 232 H N 0.931 119.778 119.070 -0.372 0.000 2.319 232 H HA -0.024 4.532 4.556 0.000 0.000 0.299 232 H C 1.906 177.199 175.328 -0.057 0.000 1.092 232 H CA 1.784 57.629 56.048 -0.338 0.000 1.302 232 H CB 0.239 29.649 29.762 -0.587 0.000 1.373 232 H HN 0.147 nan 8.280 nan 0.000 0.497 233 R N 0.365 120.938 120.500 0.123 0.000 2.075 233 R HA -0.102 4.238 4.340 0.000 0.000 0.232 233 R C 2.558 179.037 176.300 0.300 0.000 1.126 233 R CA 0.612 56.819 56.100 0.178 0.000 0.963 233 R CB -1.058 29.387 30.300 0.242 0.000 0.858 233 R HN 0.305 nan 8.270 nan 0.000 0.435 234 L N 1.152 122.510 121.223 0.226 0.000 2.083 234 L HA -0.082 4.258 4.340 0.000 0.000 0.209 234 L C 2.142 179.094 176.870 0.136 0.000 1.083 234 L CA 1.485 56.468 54.840 0.239 0.000 0.752 234 L CB -0.448 41.689 42.059 0.131 0.000 0.899 234 L HN 0.063 nan 8.230 nan 0.000 0.433 235 L N -2.273 118.943 121.223 -0.011 0.000 2.093 235 L HA -0.206 4.134 4.340 0.000 0.000 0.208 235 L C 2.325 179.174 176.870 -0.034 0.000 1.085 235 L CA 1.378 56.152 54.840 -0.111 0.000 0.755 235 L CB -0.702 41.082 42.059 -0.458 0.000 0.904 235 L HN 0.488 nan 8.230 nan 0.000 0.435 236 W N 0.246 121.411 121.300 -0.225 0.000 2.335 236 W HA -0.245 4.415 4.660 -0.000 0.000 0.311 236 W C 2.111 178.493 176.519 -0.227 0.000 1.213 236 W CA 1.449 58.626 57.345 -0.281 0.000 1.274 236 W CB -0.490 28.762 29.460 -0.347 0.000 1.148 236 W HN 0.057 nan 8.180 nan 0.000 0.498 237 W N 0.221 121.551 121.300 0.050 0.000 2.358 237 W HA -0.127 4.533 4.660 0.000 0.000 0.303 237 W C 2.604 178.717 176.519 -0.676 0.000 1.208 237 W CA 1.632 58.785 57.345 -0.320 0.000 1.274 237 W CB -0.691 28.525 29.460 -0.407 0.000 1.138 237 W HN -0.261 nan 8.180 nan 0.000 0.515 238 R N 0.862 121.186 120.500 -0.293 0.000 2.148 238 R HA -0.132 4.208 4.340 0.000 0.000 0.227 238 R C 2.105 178.134 176.300 -0.451 0.000 1.103 238 R CA 1.534 57.423 56.100 -0.351 0.000 0.983 238 R CB -0.480 29.696 30.300 -0.207 0.000 0.874 238 R HN 0.296 nan 8.270 nan 0.000 0.451 239 K N 0.046 120.150 120.400 -0.494 0.000 2.283 239 K HA -0.090 4.230 4.320 0.000 0.000 0.202 239 K C 0.817 176.930 176.600 -0.810 0.000 1.048 239 K CA 1.275 57.181 56.287 -0.635 0.000 0.948 239 K CB 0.018 32.062 32.500 -0.761 0.000 0.742 239 K HN 0.079 nan 8.250 nan 0.000 0.458 240 F N 1.324 120.999 119.950 -0.459 0.000 2.727 240 F HA 0.357 4.884 4.527 -0.000 0.000 0.302 240 F C 1.288 177.042 175.800 -0.077 0.000 1.097 240 F CA -0.487 57.213 58.000 -0.500 0.000 1.330 240 F CB 0.063 38.521 39.000 -0.903 0.000 1.084 240 F HN 0.063 nan 8.300 nan 0.000 0.578 244 P HA -0.116 nan 4.420 nan 0.000 0.219 244 P C 1.634 179.030 177.300 0.160 0.000 1.146 244 P CA 1.267 64.424 63.100 0.094 0.000 0.808 244 P CB -0.152 31.400 31.700 -0.248 0.000 0.779 245 S N -1.120 114.628 115.700 0.080 0.000 2.474 245 S HA -0.091 4.379 4.470 0.000 0.000 0.235 245 S C 1.732 176.318 174.600 -0.025 0.000 0.997 245 S CA 0.728 58.950 58.200 0.037 0.000 0.949 245 S CB -1.199 62.004 63.200 0.006 0.000 0.766 245 S HN 0.042 nan 8.310 nan 0.000 0.517 246 N N 0.876 119.535 118.700 -0.069 0.000 2.550 246 N HA 0.160 4.900 4.740 0.000 0.000 0.186 246 N C -0.789 174.452 175.510 -0.448 0.000 1.110 246 N CA 0.386 53.230 53.050 -0.343 0.000 0.912 246 N CB -0.302 37.879 38.487 -0.511 0.000 0.968 246 N HN 0.460 nan 8.380 nan 0.000 0.448 247 F N 0.519 120.431 119.950 -0.063 0.000 2.405 247 F HA 0.294 4.821 4.527 0.000 0.000 0.355 247 F C 0.970 176.751 175.800 -0.032 0.000 1.121 247 F CA -0.719 57.259 58.000 -0.037 0.000 1.112 247 F CB 1.107 40.119 39.000 0.020 0.000 1.126 247 F HN -0.202 nan 8.300 nan 0.000 0.481 248 S N 1.288 117.055 115.700 0.110 0.000 2.740 248 S HA 0.936 5.406 4.470 0.000 0.000 0.300 248 S C -0.689 174.013 174.600 0.170 0.000 1.147 248 S CA -0.688 57.569 58.200 0.095 0.000 0.871 248 S CB 1.864 65.061 63.200 -0.004 0.000 1.173 248 S HN 0.619 nan 8.310 nan 0.000 0.510 249 S N -0.596 115.190 115.700 0.145 0.000 2.579 249 S HA 0.947 5.417 4.470 0.000 0.000 0.272 249 S C -0.832 173.855 174.600 0.145 0.000 1.141 249 S CA -0.569 57.731 58.200 0.167 0.000 0.843 249 S CB 1.178 64.433 63.200 0.092 0.000 1.122 249 S HN 2.080 nan 8.310 nan 0.000 0.468 250 A N 0.929 123.846 122.820 0.162 0.000 2.589 250 A HA 0.697 5.017 4.320 0.000 0.000 0.296 250 A C -1.670 175.961 177.584 0.077 0.000 1.062 250 A CA -0.803 51.307 52.037 0.121 0.000 0.686 250 A CB 0.969 20.070 19.000 0.169 0.000 1.282 250 A HN 0.730 nan 8.150 nan 0.000 0.404 251 D N 0.354 120.786 120.400 0.054 0.000 2.362 251 D HA 0.529 5.169 4.640 0.000 0.000 0.242 251 D C 0.253 176.588 176.300 0.059 0.000 1.132 251 D CA 0.560 54.586 54.000 0.042 0.000 0.907 251 D CB 1.012 41.843 40.800 0.051 0.000 1.195 251 D HN 0.954 nan 8.370 nan 0.000 0.429 252 C N -0.212 119.125 119.300 0.061 0.000 3.291 252 C HA 0.818 5.278 4.460 0.000 0.000 0.316 252 C C -1.442 173.714 174.990 0.276 0.000 1.391 252 C CA -0.935 58.165 59.018 0.137 0.000 1.394 252 C CB 1.209 29.002 27.740 0.089 0.000 1.744 252 C HN 0.715 nan 8.230 nan 0.000 0.461 253 Q N 0.543 120.547 119.800 0.341 0.000 2.345 253 Q HA 0.681 5.021 4.340 0.000 0.000 0.275 253 Q C -1.269 174.881 176.000 0.250 0.000 1.063 253 Q CA -0.349 55.655 55.803 0.334 0.000 0.819 253 Q CB 2.115 30.956 28.738 0.172 0.000 1.356 253 Q HN 0.795 nan 8.270 nan 0.000 0.418 254 D N 0.769 121.169 120.400 0.000 0.000 2.478 254 D HA 0.057 4.697 4.640 0.000 0.000 0.274 254 D C 0.473 176.703 176.300 -0.116 0.000 1.234 254 D CA -0.385 53.471 54.000 -0.241 0.000 1.069 254 D CB 0.510 40.843 40.800 -0.778 0.000 1.113 254 D HN 0.686 nan 8.370 nan 0.000 0.571 255 E N -1.432 118.685 120.200 -0.137 0.000 2.160 255 E HA -0.120 4.230 4.350 0.000 0.000 0.195 255 E C 1.400 177.957 176.600 -0.072 0.000 0.991 255 E CA 0.779 57.132 56.400 -0.078 0.000 0.810 255 E CB -0.074 29.578 29.700 -0.080 0.000 0.742 255 E HN 0.270 nan 8.360 nan 0.000 0.466 256 L N -0.738 120.421 121.223 -0.107 0.000 2.611 256 L HA 0.171 4.511 4.340 0.000 0.000 0.229 256 L C 1.337 178.179 176.870 -0.047 0.000 1.137 256 L CA 0.851 55.645 54.840 -0.076 0.000 0.901 256 L CB 0.344 42.343 42.059 -0.099 0.000 1.098 256 L HN 0.193 nan 8.230 nan 0.000 0.456 257 G N -0.386 108.394 108.800 -0.034 0.000 2.179 257 G HA2 -0.312 3.648 3.960 0.000 0.000 0.260 257 G HA3 -0.312 3.648 3.960 0.000 0.000 0.260 257 G C 0.670 175.584 174.900 0.023 0.000 0.977 257 G CA -0.065 45.037 45.100 0.004 0.000 0.641 257 G HN 0.370 nan 8.290 nan 0.000 0.533 258 R N 0.468 120.963 120.500 -0.009 0.000 2.543 258 R HA 0.453 4.793 4.340 0.000 0.000 0.277 258 R C 0.438 176.844 176.300 0.178 0.000 1.074 258 R CA 0.041 56.166 56.100 0.043 0.000 1.076 258 R CB 0.658 30.938 30.300 -0.033 0.000 0.993 258 R HN 0.258 nan 8.270 nan 0.000 0.459 259 K N 0.508 121.040 120.400 0.221 0.000 2.118 259 K HA 0.511 4.831 4.320 0.000 0.000 0.264 259 K C 0.227 177.065 176.600 0.398 0.000 1.000 259 K CA -0.351 56.100 56.287 0.273 0.000 0.929 259 K CB 1.650 34.253 32.500 0.173 0.000 1.021 259 K HN 0.779 nan 8.250 nan 0.000 0.463 260 G N -0.179 108.786 108.800 0.275 0.000 2.561 260 G HA2 0.461 4.421 3.960 0.000 0.000 0.310 260 G HA3 0.461 4.421 3.960 0.000 0.000 0.310 260 G C -1.443 173.375 174.900 -0.136 0.000 1.292 260 G CA -0.526 44.584 45.100 0.017 0.000 0.811 260 G HN 0.455 nan 8.290 nan 0.000 0.482 261 S N -0.991 114.528 115.700 -0.302 0.000 2.607 261 S HA 0.711 5.181 4.470 0.000 0.000 0.273 261 S C -1.061 173.343 174.600 -0.327 0.000 1.148 261 S CA -0.783 57.291 58.200 -0.209 0.000 0.833 261 S CB 2.277 65.430 63.200 -0.078 0.000 1.130 261 S HN 0.608 nan 8.310 nan 0.000 0.470 262 K N 0.996 121.258 120.400 -0.229 0.000 2.318 262 K HA 0.657 4.977 4.320 0.000 0.000 0.249 262 K C -1.321 175.091 176.600 -0.313 0.000 0.942 262 K CA -0.639 55.432 56.287 -0.360 0.000 0.808 262 K CB 1.650 33.840 32.500 -0.515 0.000 1.189 262 K HN 0.397 nan 8.250 nan 0.000 0.428 263 L N 2.444 123.450 121.223 -0.362 0.000 2.331 263 L HA 0.547 4.887 4.340 0.000 0.000 0.275 263 L C -1.025 175.592 176.870 -0.423 0.000 1.022 263 L CA -0.963 53.750 54.840 -0.212 0.000 0.812 263 L CB 0.704 42.720 42.059 -0.071 0.000 1.257 263 L HN 0.541 nan 8.230 nan 0.000 0.435 264 Y N 0.480 120.719 120.300 -0.102 0.000 2.545 264 Y HA 0.435 4.985 4.550 0.000 0.000 0.348 264 Y C -0.880 174.876 175.900 -0.239 0.000 1.002 264 Y CA -0.679 57.333 58.100 -0.147 0.000 1.039 264 Y CB 2.178 40.553 38.460 -0.142 0.000 1.271 264 Y HN 0.326 nan 8.280 nan 0.000 0.467 265 Y N 0.397 120.510 120.300 -0.310 0.000 2.393 265 Y HA 0.511 5.061 4.550 0.000 0.000 0.341 265 Y C -0.370 175.147 175.900 -0.638 0.000 0.988 265 Y CA -1.098 56.542 58.100 -0.766 0.000 1.078 265 Y CB 1.765 39.516 38.460 -1.182 0.000 1.203 265 Y HN 0.531 nan 8.280 nan 0.000 0.453 266 S N 7.237 122.032 115.700 -1.508 0.000 3.036 266 S HA 0.266 4.736 4.470 0.000 0.000 0.301 266 S C -0.540 173.240 174.600 -1.368 0.000 1.205 266 S CA -0.360 57.169 58.200 -1.118 0.000 0.999 266 S CB -1.053 61.657 63.200 -0.818 0.000 1.337 266 S HN 0.463 nan 8.310 nan 0.000 0.515 267 F N 2.777 122.074 119.950 -1.088 0.000 2.435 267 F HA 0.247 4.774 4.527 -0.000 0.000 0.316 267 F C -1.049 174.112 175.800 -1.064 0.000 1.220 267 F CA -1.853 55.406 58.000 -1.235 0.000 1.241 267 F CB -0.086 37.665 39.000 -2.081 0.000 1.234 267 F HN 0.293 nan 8.300 nan 0.000 0.569 268 P HA -0.143 nan 4.420 nan 0.000 0.222 268 P C 0.669 177.893 177.300 -0.127 0.000 1.147 268 P CA 1.368 64.320 63.100 -0.247 0.000 0.790 268 P CB -0.173 31.533 31.700 0.010 0.000 0.780 269 W N -1.263 119.998 121.300 -0.064 0.000 3.197 269 W HA 0.561 5.221 4.660 -0.000 0.000 0.274 269 W C 0.383 176.866 176.519 -0.059 0.000 1.297 269 W CA 0.430 57.739 57.345 -0.060 0.000 1.662 269 W CB -0.136 29.280 29.460 -0.073 0.000 1.106 269 W HN -0.033 nan 8.180 nan 0.000 0.663 270 G N 0.584 109.147 108.800 -0.395 0.000 2.353 270 G HA2 0.082 4.043 3.960 0.000 0.000 0.308 270 G HA3 0.082 4.043 3.960 0.000 0.000 0.308 270 G C -1.411 173.299 174.900 -0.317 0.000 1.418 270 G CA -1.459 43.508 45.100 -0.221 0.000 0.966 270 G HN 0.009 nan 8.290 nan 0.000 0.638 271 K N 0.556 120.837 120.400 -0.199 0.000 2.270 271 K HA 0.482 4.802 4.320 0.000 0.000 0.276 271 K C -0.410 176.243 176.600 0.087 0.000 1.023 271 K CA -0.139 56.060 56.287 -0.147 0.000 0.955 271 K CB 0.804 33.147 32.500 -0.261 0.000 0.975 271 K HN 0.419 nan 8.250 nan 0.000 0.471 272 E N 3.108 123.453 120.200 0.242 0.000 2.272 272 E HA 0.259 4.609 4.350 0.000 0.000 0.269 272 E C -2.600 174.160 176.600 0.267 0.000 0.877 272 E CA -2.236 54.354 56.400 0.316 0.000 0.755 272 E CB 1.902 31.808 29.700 0.343 0.000 1.192 272 E HN 0.371 nan 8.360 nan 0.000 0.422 273 P HA 0.164 nan 4.420 nan 0.000 0.276 273 P C 0.631 177.838 177.300 -0.155 0.000 1.243 273 P CA 0.036 62.956 63.100 -0.299 0.000 0.768 273 P CB 0.518 32.037 31.700 -0.302 0.000 0.856 274 I N -0.201 120.233 120.570 -0.227 0.000 4.181 274 I HA 0.445 4.615 4.170 0.000 0.000 0.331 274 I C 0.224 176.292 176.117 -0.083 0.000 1.312 274 I CA 0.024 61.224 61.300 -0.168 0.000 1.146 274 I CB 0.473 38.229 38.000 -0.407 0.000 1.074 274 I HN 0.215 nan 8.210 nan 0.000 0.402 275 E N 1.550 121.673 120.200 -0.130 0.000 2.363 275 E HA 0.408 4.758 4.350 0.000 0.000 0.281 275 E C -1.097 175.417 176.600 -0.143 0.000 0.953 275 E CA -0.544 55.853 56.400 -0.004 0.000 0.778 275 E CB 1.833 31.663 29.700 0.216 0.000 1.220 275 E HN 0.281 nan 8.360 nan 0.000 0.431 276 T N 1.222 115.688 114.554 -0.147 0.000 2.861 276 T HA 0.706 5.057 4.350 0.000 0.000 0.287 276 T C -0.973 173.521 174.700 -0.343 0.000 1.003 276 T CA -0.787 61.113 62.100 -0.334 0.000 0.977 276 T CB 0.801 69.453 68.868 -0.360 0.000 0.996 276 T HN 0.228 nan 8.240 nan 0.000 0.448 277 L N 2.797 123.731 121.223 -0.483 0.000 2.356 277 L HA 0.675 5.015 4.340 0.000 0.000 0.277 277 L C -1.063 175.558 176.870 -0.414 0.000 0.996 277 L CA -0.462 54.202 54.840 -0.294 0.000 0.822 277 L CB 1.534 43.526 42.059 -0.111 0.000 1.256 277 L HN 0.747 nan 8.230 nan 0.000 0.413 278 W N 2.030 123.347 121.300 0.028 0.000 2.785 278 W HA 0.417 5.077 4.660 -0.000 0.000 0.333 278 W C 0.156 176.695 176.519 0.034 0.000 1.062 278 W CA -0.638 56.724 57.345 0.027 0.000 1.233 278 W CB 1.562 31.026 29.460 0.007 0.000 1.413 278 W HN 0.337 nan 8.180 nan 0.000 0.489 279 N N 3.634 122.547 118.700 0.355 0.000 2.482 279 N HA 0.152 4.892 4.740 0.000 0.000 0.242 279 N C 0.314 175.921 175.510 0.162 0.000 1.100 279 N CA 0.160 53.343 53.050 0.222 0.000 0.946 279 N CB 0.638 39.241 38.487 0.194 0.000 1.227 279 N HN 0.580 nan 8.380 nan 0.000 0.508 280 L N 2.219 123.503 121.223 0.102 0.000 2.418 280 L HA 0.203 4.543 4.340 0.000 0.000 0.218 280 L C 1.582 178.457 176.870 0.008 0.000 1.125 280 L CA 0.379 55.233 54.840 0.024 0.000 0.835 280 L CB -0.729 41.322 42.059 -0.015 0.000 0.953 280 L HN 0.686 nan 8.230 nan 0.000 0.454 281 G N 1.890 110.706 108.800 0.027 0.000 2.569 281 G HA2 -0.368 3.592 3.960 0.000 0.000 0.259 281 G HA3 -0.368 3.592 3.960 0.000 0.000 0.259 281 G C 0.067 174.971 174.900 0.006 0.000 1.263 281 G CA 0.307 45.420 45.100 0.022 0.000 0.928 281 G HN 0.478 nan 8.290 nan 0.000 0.572 282 D N -0.881 119.526 120.400 0.011 0.000 2.433 282 D HA 0.140 4.780 4.640 0.000 0.000 0.211 282 D C 1.787 178.102 176.300 0.025 0.000 1.114 282 D CA 0.911 54.917 54.000 0.011 0.000 0.837 282 D CB -0.070 40.738 40.800 0.013 0.000 0.984 282 D HN 0.626 nan 8.370 nan 0.000 0.505 283 Q N 0.323 120.136 119.800 0.021 0.000 2.077 283 Q HA -0.218 4.122 4.340 0.000 0.000 0.206 283 Q C 1.274 177.314 176.000 0.066 0.000 0.989 283 Q CA 1.877 57.702 55.803 0.036 0.000 0.853 283 Q CB 0.113 28.858 28.738 0.012 0.000 0.907 283 Q HN 0.248 nan 8.270 nan 0.000 0.418 284 E N 0.088 120.312 120.200 0.040 0.000 2.150 284 E HA -0.168 4.182 4.350 0.000 0.000 0.193 284 E C 1.657 178.326 176.600 0.115 0.000 0.985 284 E CA 0.525 56.963 56.400 0.064 0.000 0.814 284 E CB -0.112 29.585 29.700 -0.005 0.000 0.752 284 E HN 0.147 nan 8.360 nan 0.000 0.466 285 L N 0.265 121.541 121.223 0.088 0.000 2.017 285 L HA -0.111 4.229 4.340 0.000 0.000 0.208 285 L C 1.869 178.847 176.870 0.180 0.000 1.073 285 L CA 1.605 56.519 54.840 0.124 0.000 0.745 285 L CB -0.555 41.523 42.059 0.032 0.000 0.894 285 L HN 0.182 nan 8.230 nan 0.000 0.432 286 L N -1.517 119.784 121.223 0.131 0.000 2.083 286 L HA -0.258 4.082 4.340 0.000 0.000 0.209 286 L C 2.552 179.493 176.870 0.119 0.000 1.083 286 L CA 1.497 56.412 54.840 0.124 0.000 0.752 286 L CB -0.783 41.327 42.059 0.085 0.000 0.899 286 L HN 0.424 nan 8.230 nan 0.000 0.433 287 H N -0.233 118.866 119.070 0.047 0.000 2.421 287 H HA -0.133 4.423 4.556 0.000 0.000 0.298 287 H C 2.120 177.445 175.328 -0.005 0.000 1.087 287 H CA 1.911 57.974 56.048 0.026 0.000 1.330 287 H CB 0.202 29.982 29.762 0.030 0.000 1.388 287 H HN 0.128 nan 8.280 nan 0.000 0.526 288 T N -0.723 113.868 114.554 0.062 0.000 2.942 288 T HA -0.082 4.268 4.350 0.000 0.000 0.265 288 T C -0.319 174.160 174.700 -0.367 0.000 1.062 288 T CA 0.914 62.912 62.100 -0.170 0.000 1.139 288 T CB -0.053 68.658 68.868 -0.261 0.000 0.883 288 T HN 0.293 nan 8.240 nan 0.000 0.468 289 Y N 1.455 121.762 120.300 0.013 0.000 2.837 289 Y HA 0.381 4.931 4.550 0.000 0.000 0.356 289 Y C -2.625 173.264 175.900 -0.018 0.000 1.035 289 Y CA -3.326 54.776 58.100 0.003 0.000 1.165 289 Y CB 0.301 38.780 38.460 0.032 0.000 1.147 289 Y HN 0.053 nan 8.280 nan 0.000 0.628 290 P HA 0.302 nan 4.420 nan 0.000 0.270 290 P C 0.717 178.039 177.300 0.038 0.000 1.223 290 P CA 0.725 63.831 63.100 0.010 0.000 0.785 290 P CB 0.949 32.615 31.700 -0.055 0.000 0.923 291 G N 1.109 109.924 108.800 0.025 0.000 2.582 291 G HA2 -0.178 3.782 3.960 0.000 0.000 0.222 291 G HA3 -0.178 3.782 3.960 0.000 0.000 0.222 291 G C -0.415 174.501 174.900 0.028 0.000 1.311 291 G CA -0.360 44.754 45.100 0.023 0.000 0.915 291 G HN 0.868 nan 8.290 nan 0.000 0.528 292 N N -0.529 118.182 118.700 0.019 0.000 2.412 292 N HA 0.245 4.985 4.740 0.000 0.000 0.258 292 N C 1.485 177.003 175.510 0.013 0.000 1.236 292 N CA 0.893 53.951 53.050 0.014 0.000 0.882 292 N CB 1.280 39.771 38.487 0.007 0.000 1.066 292 N HN 1.679 nan 8.380 nan 0.000 0.465 293 V N 1.078 120.999 119.914 0.010 0.000 3.633 293 V HA 0.056 4.176 4.120 0.000 0.000 0.283 293 V C 1.696 177.783 176.094 -0.012 0.000 1.305 293 V CA 0.661 62.964 62.300 0.004 0.000 1.153 293 V CB -1.181 30.650 31.823 0.013 0.000 0.950 293 V HN 0.728 nan 8.190 nan 0.000 0.432 294 S N 2.309 118.002 115.700 -0.013 0.000 2.380 294 S HA -0.313 4.157 4.470 0.000 0.000 0.229 294 S C 2.019 176.595 174.600 -0.040 0.000 1.043 294 S CA 2.324 60.512 58.200 -0.021 0.000 1.038 294 S CB -1.606 61.583 63.200 -0.019 0.000 0.872 294 S HN 0.896 nan 8.310 nan 0.000 0.456 295 T N 1.503 116.024 114.554 -0.055 0.000 2.951 295 T HA 0.101 4.451 4.350 0.000 0.000 0.268 295 T C 1.824 176.444 174.700 -0.134 0.000 1.073 295 T CA 1.005 63.048 62.100 -0.094 0.000 1.134 295 T CB -0.942 67.867 68.868 -0.098 0.000 0.884 295 T HN 0.791 nan 8.240 nan 0.000 0.479 296 I N -1.655 118.849 120.570 -0.111 0.000 3.793 296 I HA 0.304 4.474 4.170 0.000 0.000 0.315 296 I C 0.439 176.602 176.117 0.077 0.000 1.275 296 I CA -0.656 60.628 61.300 -0.026 0.000 1.214 296 I CB -0.443 37.504 38.000 -0.088 0.000 1.018 296 I HN 0.069 nan 8.210 nan 0.000 0.439 297 Q N 2.557 122.366 119.800 0.015 0.000 2.332 297 Q HA 0.473 4.813 4.340 0.000 0.000 0.263 297 Q C 0.306 176.325 176.000 0.031 0.000 0.979 297 Q CA -0.015 55.807 55.803 0.030 0.000 0.885 297 Q CB 1.605 30.348 28.738 0.008 0.000 1.218 297 Q HN 0.558 nan 8.270 nan 0.000 0.405 298 G N 1.766 110.603 108.800 0.062 0.000 2.597 298 G HA2 0.569 4.529 3.960 0.000 0.000 0.317 298 G HA3 0.569 4.529 3.960 0.000 0.000 0.317 298 G C -0.951 173.971 174.900 0.035 0.000 1.230 298 G CA -0.880 44.251 45.100 0.052 0.000 0.996 298 G HN 0.502 nan 8.290 nan 0.000 0.490 299 R N 0.152 120.670 120.500 0.030 0.000 2.312 299 R HA 0.393 4.733 4.340 0.000 0.000 0.311 299 R C -1.273 175.048 176.300 0.036 0.000 1.004 299 R CA -0.554 55.561 56.100 0.025 0.000 0.902 299 R CB 1.582 31.891 30.300 0.014 0.000 1.073 299 R HN 0.415 nan 8.270 nan 0.000 0.457 300 D N 2.468 122.889 120.400 0.035 0.000 2.438 300 D HA 0.307 4.947 4.640 0.000 0.000 0.257 300 D C 0.916 177.238 176.300 0.037 0.000 1.148 300 D CA 0.485 54.510 54.000 0.043 0.000 0.902 300 D CB 0.783 41.610 40.800 0.046 0.000 1.062 300 D HN 0.635 nan 8.370 nan 0.000 0.518 301 G N 5.003 113.825 108.800 0.036 0.000 2.889 301 G HA2 -0.385 3.575 3.960 0.000 0.000 0.308 301 G HA3 -0.385 3.575 3.960 0.000 0.000 0.308 301 G C 0.907 175.819 174.900 0.021 0.000 1.248 301 G CA 0.733 45.850 45.100 0.029 0.000 0.982 301 G HN 0.683 nan 8.290 nan 0.000 0.571 302 R N 1.019 121.530 120.500 0.018 0.000 2.521 302 R HA 0.349 4.689 4.340 0.000 0.000 0.289 302 R C 0.692 177.000 176.300 0.012 0.000 0.936 302 R CA 0.552 56.660 56.100 0.013 0.000 1.089 302 R CB 0.110 30.416 30.300 0.010 0.000 1.348 302 R HN 0.596 nan 8.270 nan 0.000 0.536 303 K N 1.636 122.046 120.400 0.017 0.000 2.218 303 K HA 0.231 4.551 4.320 0.000 0.000 0.276 303 K C -0.867 175.743 176.600 0.017 0.000 1.022 303 K CA -0.643 55.654 56.287 0.017 0.000 0.946 303 K CB 0.652 33.164 32.500 0.020 0.000 1.000 303 K HN -0.035 nan 8.250 nan 0.000 0.468 304 N N 2.085 120.793 118.700 0.013 0.000 2.414 304 N HA 0.194 4.935 4.740 0.000 0.000 0.256 304 N C -0.510 175.010 175.510 0.018 0.000 1.029 304 N CA -0.368 52.690 53.050 0.013 0.000 0.948 304 N CB 1.561 40.051 38.487 0.005 0.000 1.102 304 N HN 0.546 nan 8.380 nan 0.000 0.496 305 V N -0.529 119.400 119.914 0.024 0.000 3.007 305 V HA 0.526 4.646 4.120 0.000 0.000 0.311 305 V C -0.108 176.005 176.094 0.031 0.000 1.120 305 V CA -0.958 61.358 62.300 0.027 0.000 0.980 305 V CB 1.668 33.509 31.823 0.031 0.000 1.033 305 V HN 0.164 nan 8.190 nan 0.000 0.429 306 V N 5.218 125.147 119.914 0.024 0.000 2.508 306 V HA 0.332 4.452 4.120 0.000 0.000 0.281 306 V C -1.644 174.457 176.094 0.012 0.000 1.041 306 V CA -0.777 61.531 62.300 0.014 0.000 1.016 306 V CB 0.817 32.644 31.823 0.007 0.000 0.984 306 V HN 0.964 nan 8.190 nan 0.000 0.478 307 P HA 0.159 nan 4.420 nan 0.000 0.274 307 P C -0.308 176.996 177.300 0.006 0.000 1.237 307 P CA -0.415 62.693 63.100 0.013 0.000 0.793 307 P CB 0.770 32.489 31.700 0.032 0.000 0.977 308 C N 2.538 121.846 119.300 0.013 0.000 2.466 308 C HA 0.540 5.000 4.460 0.000 0.000 0.379 308 C C 0.273 175.242 174.990 -0.035 0.000 1.251 308 C CA -0.368 58.658 59.018 0.013 0.000 2.263 308 C CB -0.080 27.689 27.740 0.049 0.000 2.511 308 C HN 0.488 nan 8.230 nan 0.000 0.573 309 V N 7.711 127.586 119.914 -0.064 0.000 2.417 309 V HA 0.648 4.768 4.120 0.000 0.000 0.291 309 V C -0.719 175.318 176.094 -0.094 0.000 1.024 309 V CA -0.429 61.749 62.300 -0.203 0.000 0.861 309 V CB 1.287 32.935 31.823 -0.291 0.000 0.985 309 V HN 0.890 nan 8.190 nan 0.000 0.436 310 L N 5.303 126.477 121.223 -0.082 0.000 2.317 310 L HA 0.628 4.968 4.340 0.000 0.000 0.281 310 L C 0.265 177.105 176.870 -0.050 0.000 1.024 310 L CA -0.334 54.527 54.840 0.035 0.000 0.810 310 L CB 1.867 44.026 42.059 0.166 0.000 1.240 310 L HN 0.744 nan 8.230 nan 0.000 0.427 311 S N 1.936 117.653 115.700 0.028 0.000 2.449 311 S HA 0.643 5.113 4.470 0.000 0.000 0.310 311 S C -0.693 173.906 174.600 -0.001 0.000 1.096 311 S CA -0.506 57.699 58.200 0.009 0.000 1.095 311 S CB 1.186 64.448 63.200 0.103 0.000 1.007 311 S HN 0.306 nan 8.310 nan 0.000 0.474 312 V N 4.507 124.377 119.914 -0.073 0.000 2.350 312 V HA 0.619 4.739 4.120 0.000 0.000 0.285 312 V C -0.137 175.956 176.094 -0.002 0.000 1.014 312 V CA -0.612 61.642 62.300 -0.076 0.000 0.831 312 V CB 1.289 32.985 31.823 -0.212 0.000 1.000 312 V HN 0.805 nan 8.190 nan 0.000 0.433 313 S N 3.925 119.635 115.700 0.017 0.000 2.707 313 S HA 0.783 5.253 4.470 0.000 0.000 0.303 313 S C -0.093 174.537 174.600 0.051 0.000 1.132 313 S CA -0.108 58.108 58.200 0.027 0.000 1.046 313 S CB 1.128 64.349 63.200 0.034 0.000 1.004 313 S HN 1.029 nan 8.310 nan 0.000 0.483 314 G N 1.987 110.822 108.800 0.057 0.000 2.420 314 G HA2 0.458 4.418 3.960 0.000 0.000 0.331 314 G HA3 0.458 4.418 3.960 0.000 0.000 0.331 314 G C -1.293 173.673 174.900 0.110 0.000 1.168 314 G CA -0.501 44.702 45.100 0.172 0.000 0.936 314 G HN 0.626 nan 8.290 nan 0.000 0.479 315 D N 2.010 122.522 120.400 0.187 0.000 2.428 315 D HA 0.178 4.818 4.640 0.000 0.000 0.221 315 D C 1.423 177.873 176.300 0.250 0.000 1.123 315 D CA -0.489 53.600 54.000 0.148 0.000 0.869 315 D CB 1.599 42.465 40.800 0.110 0.000 1.032 315 D HN -0.020 nan 8.370 nan 0.000 0.506 316 V N 3.508 123.525 119.914 0.172 0.000 2.667 316 V HA -0.153 3.967 4.120 0.000 0.000 0.252 316 V C 1.621 177.868 176.094 0.256 0.000 1.065 316 V CA 1.219 63.648 62.300 0.216 0.000 1.083 316 V CB -0.165 31.689 31.823 0.052 0.000 0.692 316 V HN 0.469 nan 8.190 nan 0.000 0.468 317 D N -0.051 120.501 120.400 0.252 0.000 2.137 317 D HA -0.077 4.563 4.640 0.000 0.000 0.202 317 D C 1.939 178.487 176.300 0.415 0.000 0.970 317 D CA 0.810 55.048 54.000 0.396 0.000 0.837 317 D CB -0.171 40.847 40.800 0.365 0.000 0.981 317 D HN 0.311 nan 8.370 nan 0.000 0.475 318 L N 0.988 122.391 121.223 0.300 0.000 2.141 318 L HA 0.063 4.403 4.340 0.000 0.000 0.209 318 L C 2.144 179.203 176.870 0.316 0.000 1.094 318 L CA 1.552 56.570 54.840 0.297 0.000 0.763 318 L CB -0.853 41.333 42.059 0.211 0.000 0.908 318 L HN 0.045 nan 8.230 nan 0.000 0.437 319 G N -2.150 106.840 108.800 0.316 0.000 2.408 319 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 319 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 319 G C 1.451 176.575 174.900 0.374 0.000 1.150 319 G CA 1.090 46.409 45.100 0.366 0.000 0.776 319 G HN 0.398 nan 8.290 nan 0.000 0.542 320 T N 1.517 116.289 114.554 0.363 0.000 2.708 320 T HA -0.069 4.281 4.350 0.000 0.000 0.266 320 T C 2.431 177.315 174.700 0.308 0.000 1.037 320 T CA 1.021 63.281 62.100 0.267 0.000 1.146 320 T CB -0.240 68.601 68.868 -0.045 0.000 0.865 320 T HN 0.165 nan 8.240 nan 0.000 0.435 321 L N 0.783 122.261 121.223 0.426 0.000 2.083 321 L HA -0.106 4.234 4.340 0.000 0.000 0.209 321 L C 3.024 180.156 176.870 0.438 0.000 1.083 321 L CA 1.183 56.320 54.840 0.497 0.000 0.752 321 L CB -0.696 41.703 42.059 0.567 0.000 0.899 321 L HN 0.238 nan 8.230 nan 0.000 0.433 322 A N -0.618 122.270 122.820 0.114 0.000 1.902 322 A HA -0.237 4.083 4.320 0.000 0.000 0.217 322 A C 2.053 179.267 177.584 -0.617 0.000 1.181 322 A CA 1.557 53.113 52.037 -0.801 0.000 0.623 322 A CB -0.833 17.333 19.000 -1.390 0.000 0.818 322 A HN 0.357 nan 8.150 nan 0.000 0.443 323 Y N 0.012 120.262 120.300 -0.084 0.000 2.293 323 Y HA -0.084 4.466 4.550 0.000 0.000 0.291 323 Y C 2.182 178.080 175.900 -0.003 0.000 1.137 323 Y CA 1.041 59.139 58.100 -0.003 0.000 1.202 323 Y CB -0.553 37.935 38.460 0.047 0.000 0.990 323 Y HN 0.188 nan 8.280 nan 0.000 0.537 324 L N -1.841 119.457 121.223 0.125 0.000 2.012 324 L HA -0.288 4.053 4.340 0.000 0.000 0.210 324 L C 2.105 178.976 176.870 0.001 0.000 1.073 324 L CA 1.616 56.445 54.840 -0.019 0.000 0.748 324 L CB -0.810 41.206 42.059 -0.072 0.000 0.891 324 L HN 0.182 nan 8.230 nan 0.000 0.431 325 Y N -0.005 120.322 120.300 0.045 0.000 2.181 325 Y HA -0.318 4.232 4.550 0.000 0.000 0.288 325 Y C 2.431 178.406 175.900 0.124 0.000 1.146 325 Y CA 1.961 60.115 58.100 0.089 0.000 1.164 325 Y CB -0.379 38.170 38.460 0.148 0.000 0.982 325 Y HN 0.301 nan 8.280 nan 0.000 0.515 326 D N -0.719 119.814 120.400 0.222 0.000 2.178 326 D HA -0.161 4.479 4.640 0.000 0.000 0.201 326 D C 2.035 178.464 176.300 0.215 0.000 0.980 326 D CA 1.452 55.588 54.000 0.227 0.000 0.842 326 D CB -0.137 40.775 40.800 0.187 0.000 0.948 326 D HN 0.284 nan 8.370 nan 0.000 0.472 327 S N -1.080 114.733 115.700 0.188 0.000 2.496 327 S HA -0.029 4.441 4.470 0.000 0.000 0.224 327 S C 0.667 175.349 174.600 0.137 0.000 0.996 327 S CA -0.597 57.688 58.200 0.141 0.000 0.927 327 S CB -0.580 62.670 63.200 0.082 0.000 0.774 327 S HN 0.250 nan 8.310 nan 0.000 0.524 328 F N 3.370 123.326 119.950 0.011 0.000 2.504 328 F HA 0.419 4.946 4.527 -0.000 0.000 0.369 328 F C 0.240 176.048 175.800 0.012 0.000 1.082 328 F CA -0.258 57.736 58.000 -0.010 0.000 1.216 328 F CB 0.362 39.352 39.000 -0.016 0.000 1.108 328 F HN 0.207 nan 8.300 nan 0.000 0.554 329 Q N 5.776 125.197 119.800 -0.632 0.000 2.389 329 Q HA 0.632 4.972 4.340 0.000 0.000 0.277 329 Q C -1.937 173.628 176.000 -0.725 0.000 1.082 329 Q CA -1.254 54.228 55.803 -0.535 0.000 0.810 329 Q CB 3.101 31.698 28.738 -0.234 0.000 1.374 329 Q HN 0.707 nan 8.270 nan 0.000 0.422 330 L N 0.736 121.665 121.223 -0.490 0.000 2.409 330 L HA 0.939 5.279 4.340 0.000 0.000 0.262 330 L C -2.029 174.747 176.870 -0.158 0.000 0.992 330 L CA -0.275 54.365 54.840 -0.333 0.000 0.817 330 L CB 2.310 44.206 42.059 -0.271 0.000 1.350 330 L HN 0.775 nan 8.230 nan 0.000 0.411 331 A N 3.232 125.991 122.820 -0.103 0.000 2.520 331 A HA 0.797 5.117 4.320 0.000 0.000 0.298 331 A C -1.471 176.094 177.584 -0.032 0.000 1.051 331 A CA -0.598 51.404 52.037 -0.058 0.000 0.690 331 A CB 1.429 20.395 19.000 -0.056 0.000 1.281 331 A HN 0.710 nan 8.150 nan 0.000 0.402 332 E N 1.050 121.243 120.200 -0.012 0.000 2.227 332 E HA 0.518 4.868 4.350 0.000 0.000 0.268 332 E C -1.200 175.409 176.600 0.015 0.000 0.907 332 E CA -1.028 55.375 56.400 0.005 0.000 0.786 332 E CB 2.177 31.886 29.700 0.015 0.000 1.191 332 E HN 0.488 nan 8.360 nan 0.000 0.411 333 N N 0.304 119.022 118.700 0.030 0.000 2.260 333 N HA 0.102 4.842 4.740 0.000 0.000 0.293 333 N C -0.627 174.936 175.510 0.089 0.000 1.058 333 N CA -0.378 52.707 53.050 0.057 0.000 0.824 333 N CB 1.897 40.414 38.487 0.050 0.000 1.551 333 N HN 0.422 nan 8.380 nan 0.000 0.475 334 S N 2.120 117.880 115.700 0.099 0.000 2.597 334 S HA 0.065 4.535 4.470 0.000 0.000 0.224 334 S C 1.585 176.259 174.600 0.123 0.000 0.955 334 S CA -0.484 57.770 58.200 0.090 0.000 0.933 334 S CB -0.524 62.706 63.200 0.049 0.000 0.788 334 S HN 0.551 nan 8.310 nan 0.000 0.488 335 F N 3.536 123.488 119.950 0.002 0.000 2.045 335 F HA -0.058 4.469 4.527 0.000 0.000 0.297 335 F C 1.471 177.273 175.800 0.002 0.000 1.114 335 F CA 0.974 58.975 58.000 0.002 0.000 1.207 335 F CB -1.063 37.938 39.000 0.003 0.000 0.964 335 F HN 0.395 nan 8.300 nan 0.000 0.486 336 A N 0.654 123.689 122.820 0.359 0.000 2.512 336 A HA -0.156 4.164 4.320 0.000 0.000 0.247 336 A C 0.997 178.656 177.584 0.124 0.000 1.210 336 A CA 1.229 53.405 52.037 0.231 0.000 1.164 336 A CB -0.003 19.078 19.000 0.134 0.000 0.909 336 A HN 0.664 nan 8.150 nan 0.000 0.429 337 R N 0.943 121.520 120.500 0.128 0.000 4.379 337 R HA 0.204 4.544 4.340 0.000 0.000 0.112 337 R C 0.339 176.679 176.300 0.067 0.000 0.659 337 R CA 0.684 56.828 56.100 0.073 0.000 1.167 337 R CB 0.179 30.518 30.300 0.065 0.000 1.572 337 R HN 0.701 nan 8.270 nan 0.000 0.426 338 K N 1.342 121.789 120.400 0.078 0.000 3.084 338 K HA 0.314 4.634 4.320 0.000 0.000 0.210 338 K C -0.874 175.752 176.600 0.044 0.000 1.137 338 K CA 0.069 56.386 56.287 0.050 0.000 1.010 338 K CB 0.804 33.327 32.500 0.038 0.000 0.806 338 K HN -0.124 nan 8.250 nan 0.000 0.460 339 K N 1.560 121.993 120.400 0.056 0.000 2.664 339 K HA 0.115 4.435 4.320 0.000 0.000 0.234 339 K C -0.640 175.980 176.600 0.033 0.000 0.980 339 K CA -0.424 55.879 56.287 0.027 0.000 0.996 339 K CB 1.683 34.185 32.500 0.003 0.000 1.190 339 K HN 0.221 nan 8.250 nan 0.000 0.479 340 S N 2.500 118.212 115.700 0.020 0.000 3.116 340 S HA -0.143 4.327 4.470 0.000 0.000 0.367 340 S C 1.408 176.022 174.600 0.024 0.000 1.202 340 S CA -0.452 57.761 58.200 0.021 0.000 1.018 340 S CB 0.184 63.392 63.200 0.012 0.000 0.726 340 S HN 0.597 nan 8.310 nan 0.000 0.506 341 L N 2.559 123.800 121.223 0.031 0.000 2.058 341 L HA -0.227 4.113 4.340 0.000 0.000 0.226 341 L C 1.215 178.099 176.870 0.023 0.000 1.089 341 L CA 2.020 56.879 54.840 0.033 0.000 0.799 341 L CB -0.711 41.367 42.059 0.033 0.000 0.900 341 L HN 0.902 nan 8.230 nan 0.000 0.442 342 Q N -0.363 119.449 119.800 0.021 0.000 2.312 342 Q HA 0.548 4.888 4.340 0.000 0.000 0.263 342 Q C -0.821 175.182 176.000 0.004 0.000 0.995 342 Q CA -0.551 55.261 55.803 0.014 0.000 0.853 342 Q CB 1.711 30.468 28.738 0.031 0.000 1.300 342 Q HN 0.236 nan 8.270 nan 0.000 0.448 343 R N 1.590 122.080 120.500 -0.017 0.000 2.480 343 R HA 0.459 4.799 4.340 0.000 0.000 0.306 343 R C -0.923 175.341 176.300 -0.061 0.000 0.958 343 R CA -0.688 55.396 56.100 -0.027 0.000 0.861 343 R CB 1.825 32.104 30.300 -0.035 0.000 1.171 343 R HN 0.341 nan 8.270 nan 0.000 0.445 344 K N 1.342 121.714 120.400 -0.047 0.000 2.203 344 K HA 0.611 4.931 4.320 0.000 0.000 0.251 344 K C -1.218 175.333 176.600 -0.081 0.000 0.944 344 K CA -0.879 55.344 56.287 -0.107 0.000 0.829 344 K CB 2.704 35.240 32.500 0.060 0.000 1.125 344 K HN 0.163 nan 8.250 nan 0.000 0.430 345 V N 3.978 123.801 119.914 -0.151 0.000 2.760 345 V HA 0.421 4.541 4.120 0.000 0.000 0.309 345 V C -1.677 174.382 176.094 -0.059 0.000 1.077 345 V CA -0.869 61.384 62.300 -0.078 0.000 0.910 345 V CB 1.583 33.353 31.823 -0.088 0.000 1.008 345 V HN 0.617 nan 8.190 nan 0.000 0.424 346 L N 6.674 127.896 121.223 -0.002 0.000 2.262 346 L HA 0.544 4.884 4.340 0.000 0.000 0.288 346 L C 0.390 177.254 176.870 -0.010 0.000 1.035 346 L CA -0.412 54.426 54.840 -0.002 0.000 0.820 346 L CB 1.276 43.292 42.059 -0.073 0.000 1.204 346 L HN 0.582 nan 8.230 nan 0.000 0.424 347 K N 5.326 125.725 120.400 -0.002 0.000 2.758 347 K HA 0.344 4.664 4.320 0.000 0.000 0.250 347 K C -0.261 176.355 176.600 0.026 0.000 1.268 347 K CA -0.290 55.994 56.287 -0.005 0.000 1.228 347 K CB 0.204 32.699 32.500 -0.008 0.000 1.715 347 K HN 0.538 nan 8.250 nan 0.000 0.334 348 L N 1.423 122.660 121.223 0.023 0.000 2.461 348 L HA 0.051 4.391 4.340 0.000 0.000 0.272 348 L C 1.237 178.139 176.870 0.054 0.000 1.197 348 L CA -0.257 54.609 54.840 0.045 0.000 0.836 348 L CB 0.139 42.217 42.059 0.031 0.000 1.105 348 L HN 0.429 nan 8.230 nan 0.000 0.477 349 H N 4.597 123.656 119.070 -0.019 0.000 2.972 349 H HA -0.014 4.542 4.556 0.000 0.000 0.343 349 H C -1.809 173.521 175.328 0.002 0.000 1.054 349 H CA -1.005 55.049 56.048 0.010 0.000 1.412 349 H CB 1.433 31.225 29.762 0.050 0.000 1.385 349 H HN 0.347 nan 8.280 nan 0.000 0.600 350 P HA -0.154 nan 4.420 nan 0.000 0.216 350 P C 1.451 178.814 177.300 0.106 0.000 1.150 350 P CA 1.492 64.564 63.100 -0.048 0.000 0.843 350 P CB -0.025 31.619 31.700 -0.095 0.000 0.787 351 C N -1.976 117.507 119.300 0.304 0.000 2.456 351 C HA 0.024 4.484 4.460 0.000 0.000 0.279 351 C C 2.620 177.624 174.990 0.022 0.000 1.427 351 C CA 0.489 59.622 59.018 0.191 0.000 1.778 351 C CB -1.756 26.119 27.740 0.225 0.000 1.842 351 C HN 0.203 nan 8.230 nan 0.000 0.531 352 L N 0.384 121.608 121.223 0.000 0.000 2.357 352 L HA 0.214 4.554 4.340 0.000 0.000 0.211 352 L C 1.656 178.513 176.870 -0.022 0.000 1.075 352 L CA 0.094 54.858 54.840 -0.127 0.000 0.830 352 L CB -0.738 41.145 42.059 -0.293 0.000 0.996 352 L HN 0.127 nan 8.230 nan 0.000 0.467 353 A N 2.010 124.848 122.820 0.031 0.000 2.566 353 A HA 0.057 4.377 4.320 0.000 0.000 0.245 353 A C -1.335 176.293 177.584 0.073 0.000 1.056 353 A CA -0.691 51.390 52.037 0.074 0.000 0.757 353 A CB -0.293 18.743 19.000 0.059 0.000 0.979 353 A HN 0.079 nan 8.150 nan 0.000 0.508 354 P HA -0.002 nan 4.420 nan 0.000 0.220 354 P C 0.157 177.485 177.300 0.046 0.000 1.152 354 P CA 1.107 64.238 63.100 0.051 0.000 0.812 354 P CB 0.164 31.875 31.700 0.018 0.000 0.792 355 I N 0.285 120.885 120.570 0.050 0.000 2.382 355 I HA 0.202 4.372 4.170 0.000 0.000 0.286 355 I C 1.315 177.464 176.117 0.053 0.000 1.002 355 I CA -0.783 60.551 61.300 0.056 0.000 1.135 355 I CB 2.079 40.102 38.000 0.039 0.000 1.288 355 I HN -0.310 nan 8.210 nan 0.000 0.448 356 K N 4.469 124.914 120.400 0.075 0.000 2.116 356 K HA 0.200 4.520 4.320 0.000 0.000 0.203 356 K C 0.277 176.945 176.600 0.114 0.000 1.052 356 K CA 0.960 57.306 56.287 0.098 0.000 0.952 356 K CB 0.280 32.855 32.500 0.124 0.000 0.729 356 K HN 0.360 nan 8.250 nan 0.000 0.446 357 V N 0.395 120.367 119.914 0.096 0.000 2.888 357 V HA 0.535 4.655 4.120 0.000 0.000 0.309 357 V C -1.068 175.050 176.094 0.040 0.000 1.114 357 V CA -1.361 60.996 62.300 0.094 0.000 0.940 357 V CB 1.917 33.811 31.823 0.118 0.000 1.021 357 V HN 0.196 nan 8.190 nan 0.000 0.426 358 A N 4.691 127.474 122.820 -0.062 0.000 2.337 358 A HA 0.954 5.274 4.320 0.000 0.000 0.329 358 A C -1.042 176.572 177.584 0.049 0.000 1.146 358 A CA -0.573 51.400 52.037 -0.108 0.000 0.800 358 A CB 1.036 19.548 19.000 -0.812 0.000 1.220 358 A HN 0.790 nan 8.150 nan 0.000 0.472 359 L N 2.345 123.673 121.223 0.174 0.000 2.333 359 L HA 0.532 4.872 4.340 0.000 0.000 0.280 359 L C -0.910 176.165 176.870 0.342 0.000 1.004 359 L CA -0.610 54.372 54.840 0.237 0.000 0.820 359 L CB 1.793 44.013 42.059 0.268 0.000 1.247 359 L HN 0.677 nan 8.230 nan 0.000 0.416 360 D N 1.496 122.065 120.400 0.283 0.000 2.523 360 D HA 0.545 5.185 4.640 0.000 0.000 0.236 360 D C -1.033 175.380 176.300 0.188 0.000 1.094 360 D CA -0.234 53.937 54.000 0.285 0.000 0.942 360 D CB 3.605 44.584 40.800 0.298 0.000 1.447 360 D HN 0.251 nan 8.370 nan 0.000 0.479 361 V N -1.185 118.831 119.914 0.171 0.000 2.459 361 V HA 0.842 4.962 4.120 0.000 0.000 0.295 361 V C 0.557 176.706 176.094 0.092 0.000 1.029 361 V CA -0.455 61.906 62.300 0.103 0.000 0.874 361 V CB 1.172 33.047 31.823 0.087 0.000 0.985 361 V HN 0.603 nan 8.190 nan 0.000 0.438 362 G N 3.697 112.537 108.800 0.066 0.000 2.829 362 G HA2 0.336 4.296 3.960 0.000 0.000 0.173 362 G HA3 0.336 4.296 3.960 0.000 0.000 0.173 362 G C -0.156 174.774 174.900 0.051 0.000 1.476 362 G CA -1.104 44.030 45.100 0.057 0.000 1.072 362 G HN 0.811 nan 8.290 nan 0.000 0.577 363 K N 0.684 121.106 120.400 0.038 0.000 2.416 363 K HA 0.490 4.810 4.320 0.000 0.000 0.283 363 K C 0.363 176.979 176.600 0.027 0.000 1.037 363 K CA 0.738 57.044 56.287 0.032 0.000 0.995 363 K CB 0.566 33.079 32.500 0.022 0.000 0.938 363 K HN 0.898 nan 8.250 nan 0.000 0.475 364 G N 3.238 112.056 108.800 0.030 0.000 2.302 364 G HA2 -0.070 3.890 3.960 0.000 0.000 0.264 364 G HA3 -0.070 3.890 3.960 0.000 0.000 0.264 364 G C -2.978 171.937 174.900 0.025 0.000 1.335 364 G CA -1.160 43.953 45.100 0.023 0.000 0.982 364 G HN 0.398 nan 8.290 nan 0.000 0.473 365 P HA 0.283 nan 4.420 nan 0.000 0.267 365 P C 1.235 178.545 177.300 0.016 0.000 1.328 365 P CA 0.504 63.613 63.100 0.015 0.000 0.990 365 P CB 0.371 32.075 31.700 0.007 0.000 1.168 366 T N 2.077 116.646 114.554 0.025 0.000 2.427 366 T HA -0.216 4.134 4.350 0.000 0.000 0.244 366 T C 1.768 176.479 174.700 0.019 0.000 1.325 366 T CA 2.131 64.248 62.100 0.029 0.000 1.173 366 T CB -0.814 68.072 68.868 0.030 0.000 0.859 366 T HN 0.084 nan 8.240 nan 0.000 0.415 367 V N 1.562 121.485 119.914 0.014 0.000 2.282 367 V HA -0.238 3.882 4.120 0.000 0.000 0.249 367 V C 2.499 178.589 176.094 -0.006 0.000 1.057 367 V CA 2.236 64.540 62.300 0.007 0.000 1.032 367 V CB -0.797 31.030 31.823 0.006 0.000 0.645 367 V HN 0.582 nan 8.190 nan 0.000 0.447 368 E N -0.126 120.069 120.200 -0.008 0.000 2.150 368 E HA -0.140 4.210 4.350 0.000 0.000 0.193 368 E C 2.182 178.762 176.600 -0.034 0.000 0.985 368 E CA 1.029 57.417 56.400 -0.019 0.000 0.814 368 E CB -0.183 29.509 29.700 -0.013 0.000 0.752 368 E HN 0.521 nan 8.360 nan 0.000 0.466 369 L N 0.350 121.556 121.223 -0.028 0.000 2.109 369 L HA -0.088 4.252 4.340 0.000 0.000 0.207 369 L C 2.469 179.281 176.870 -0.098 0.000 1.086 369 L CA 0.896 55.707 54.840 -0.047 0.000 0.760 369 L CB -0.241 41.807 42.059 -0.019 0.000 0.910 369 L HN 0.023 nan 8.230 nan 0.000 0.437 370 R N -0.313 120.143 120.500 -0.074 0.000 2.120 370 R HA -0.195 4.145 4.340 0.000 0.000 0.234 370 R C 2.267 178.452 176.300 -0.191 0.000 1.123 370 R CA 1.129 57.151 56.100 -0.130 0.000 0.975 370 R CB -0.170 30.148 30.300 0.029 0.000 0.866 370 R HN 0.407 nan 8.270 nan 0.000 0.446 371 Q N 0.343 120.078 119.800 -0.108 0.000 2.119 371 Q HA -0.112 4.228 4.340 0.000 0.000 0.201 371 Q C 1.918 177.843 176.000 -0.124 0.000 0.972 371 Q CA 1.212 56.960 55.803 -0.091 0.000 0.847 371 Q CB 0.270 28.977 28.738 -0.051 0.000 0.903 371 Q HN 0.159 nan 8.270 nan 0.000 0.433 372 V N -0.313 119.521 119.914 -0.133 0.000 2.427 372 V HA -0.301 3.819 4.120 0.000 0.000 0.248 372 V C 2.318 178.292 176.094 -0.200 0.000 1.051 372 V CA 1.417 63.638 62.300 -0.133 0.000 1.048 372 V CB -0.448 31.310 31.823 -0.110 0.000 0.666 372 V HN 0.559 nan 8.190 nan 0.000 0.456 373 C N -0.894 118.205 119.300 -0.335 0.000 2.429 373 C HA -0.150 4.311 4.460 0.000 0.000 0.277 373 C C 2.863 177.565 174.990 -0.479 0.000 1.262 373 C CA 0.668 59.364 59.018 -0.537 0.000 1.733 373 C CB -0.930 26.130 27.740 -1.134 0.000 2.010 373 C HN 0.534 nan 8.230 nan 0.000 0.483 374 Q N 0.441 119.992 119.800 -0.415 0.000 2.096 374 Q HA -0.111 4.229 4.340 0.000 0.000 0.204 374 Q C 2.433 178.385 176.000 -0.080 0.000 0.982 374 Q CA 2.136 57.848 55.803 -0.151 0.000 0.850 374 Q CB -0.842 27.858 28.738 -0.063 0.000 0.901 374 Q HN 0.766 nan 8.270 nan 0.000 0.422 375 G N 0.773 109.517 108.800 -0.093 0.000 2.418 375 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 375 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 375 G C 1.447 176.320 174.900 -0.045 0.000 1.158 375 G CA 0.755 45.822 45.100 -0.056 0.000 0.771 375 G HN 0.335 nan 8.290 nan 0.000 0.545 376 L N 0.292 121.475 121.223 -0.066 0.000 2.056 376 L HA 0.117 4.457 4.340 0.000 0.000 0.207 376 L C 2.579 179.446 176.870 -0.006 0.000 1.078 376 L CA 1.542 56.359 54.840 -0.039 0.000 0.749 376 L CB -0.747 41.280 42.059 -0.054 0.000 0.901 376 L HN 0.222 nan 8.230 nan 0.000 0.433 377 L N 0.071 121.296 121.223 0.003 0.000 1.990 377 L HA -0.277 4.063 4.340 0.000 0.000 0.213 377 L C 2.273 179.164 176.870 0.035 0.000 1.072 377 L CA 2.046 56.918 54.840 0.054 0.000 0.755 377 L CB -0.936 41.194 42.059 0.117 0.000 0.889 377 L HN 0.369 nan 8.230 nan 0.000 0.432 378 N N -0.175 118.538 118.700 0.021 0.000 2.104 378 N HA -0.262 4.478 4.740 0.000 0.000 0.190 378 N C 1.827 177.345 175.510 0.014 0.000 1.024 378 N CA 1.749 54.808 53.050 0.016 0.000 0.853 378 N CB -0.326 38.166 38.487 0.008 0.000 1.008 378 N HN 0.593 nan 8.380 nan 0.000 0.424 379 E N 0.747 120.953 120.200 0.009 0.000 2.077 379 E HA -0.084 4.266 4.350 0.000 0.000 0.193 379 E C 2.040 178.651 176.600 0.017 0.000 0.989 379 E CA 0.645 57.051 56.400 0.011 0.000 0.800 379 E CB -0.022 29.682 29.700 0.007 0.000 0.746 379 E HN 0.252 nan 8.360 nan 0.000 0.452 380 L N 0.471 121.707 121.223 0.022 0.000 2.017 380 L HA -0.205 4.135 4.340 0.000 0.000 0.208 380 L C 2.637 179.526 176.870 0.031 0.000 1.073 380 L CA 0.959 55.816 54.840 0.029 0.000 0.745 380 L CB -0.486 41.596 42.059 0.038 0.000 0.894 380 L HN 0.273 nan 8.230 nan 0.000 0.432 381 L N -0.409 120.832 121.223 0.031 0.000 2.042 381 L HA -0.223 4.117 4.340 0.000 0.000 0.210 381 L C 2.520 179.404 176.870 0.023 0.000 1.076 381 L CA 1.366 56.222 54.840 0.028 0.000 0.749 381 L CB -0.566 41.507 42.059 0.024 0.000 0.893 381 L HN 0.307 nan 8.230 nan 0.000 0.432 382 E N -0.108 120.104 120.200 0.020 0.000 2.265 382 E HA -0.150 4.200 4.350 0.000 0.000 0.196 382 E C 1.215 177.827 176.600 0.020 0.000 0.996 382 E CA 0.593 57.004 56.400 0.018 0.000 0.832 382 E CB -0.117 29.592 29.700 0.015 0.000 0.756 382 E HN 0.525 nan 8.360 nan 0.000 0.491 383 N N -0.025 118.688 118.700 0.022 0.000 2.314 383 N HA 0.005 4.745 4.740 0.000 0.000 0.200 383 N C 0.641 176.167 175.510 0.028 0.000 1.135 383 N CA 0.593 53.657 53.050 0.024 0.000 0.835 383 N CB 1.179 39.679 38.487 0.022 0.000 0.989 383 N HN 0.190 nan 8.380 nan 0.000 0.478 384 G N 1.492 110.309 108.800 0.028 0.000 2.176 384 G HA2 -0.267 3.693 3.960 0.000 0.000 0.252 384 G HA3 -0.267 3.693 3.960 0.000 0.000 0.252 384 G C -0.027 174.896 174.900 0.038 0.000 1.024 384 G CA -0.112 45.007 45.100 0.031 0.000 0.755 384 G HN 0.322 nan 8.290 nan 0.000 0.507 385 I N 1.963 122.557 120.570 0.041 0.000 2.339 385 I HA 0.367 4.537 4.170 0.000 0.000 0.290 385 I C 1.026 177.176 176.117 0.055 0.000 0.994 385 I CA -0.482 60.849 61.300 0.051 0.000 1.191 385 I CB 1.677 39.708 38.000 0.051 0.000 1.343 385 I HN 0.315 nan 8.210 nan 0.000 0.458 386 S N 6.192 121.929 115.700 0.062 0.000 2.549 386 S HA 0.554 5.024 4.470 0.000 0.000 0.279 386 S C -0.407 174.244 174.600 0.085 0.000 1.321 386 S CA -0.624 57.616 58.200 0.066 0.000 1.054 386 S CB 1.184 64.423 63.200 0.065 0.000 0.899 386 S HN 0.343 nan 8.310 nan 0.000 0.497 387 V N 3.798 123.767 119.914 0.091 0.000 2.760 387 V HA 0.412 4.532 4.120 0.000 0.000 0.309 387 V C -0.721 175.463 176.094 0.149 0.000 1.077 387 V CA -0.890 61.478 62.300 0.113 0.000 0.910 387 V CB 1.912 33.789 31.823 0.090 0.000 1.008 387 V HN 1.045 nan 8.190 nan 0.000 0.424 388 W N 7.619 128.894 121.300 -0.042 0.000 2.332 388 W HA 0.398 5.058 4.660 0.000 0.000 0.306 388 W C -2.442 174.050 176.519 -0.045 0.000 1.149 388 W CA -2.247 55.065 57.345 -0.055 0.000 1.271 388 W CB 2.144 31.547 29.460 -0.095 0.000 1.243 388 W HN 0.395 nan 8.180 nan 0.000 0.459 389 P HA 0.121 nan 4.420 nan 0.000 0.219 389 P C 0.959 177.791 177.300 -0.781 0.000 1.832 389 P CA 0.115 62.840 63.100 -0.625 0.000 1.014 389 P CB 0.203 31.476 31.700 -0.711 0.000 1.939 390 G N 2.088 110.733 108.800 -0.259 0.000 2.450 390 G HA2 -0.305 3.655 3.960 0.000 0.000 0.220 390 G HA3 -0.305 3.655 3.960 0.000 0.000 0.220 390 G C 1.173 176.057 174.900 -0.027 0.000 1.130 390 G CA 0.525 45.671 45.100 0.077 0.000 0.760 390 G HN 0.436 nan 8.290 nan 0.000 0.557 391 Y N 0.347 120.668 120.300 0.035 0.000 2.384 391 Y HA 0.059 4.609 4.550 0.000 0.000 0.289 391 Y C 2.555 178.439 175.900 -0.027 0.000 1.152 391 Y CA 0.848 58.956 58.100 0.014 0.000 1.258 391 Y CB -0.627 37.838 38.460 0.008 0.000 0.979 391 Y HN 0.094 nan 8.280 nan 0.000 0.549 392 S N -0.031 115.333 115.700 -0.560 0.000 2.481 392 S HA -0.078 4.392 4.470 0.000 0.000 0.231 392 S C 0.474 174.959 174.600 -0.192 0.000 0.996 392 S CA 0.389 58.370 58.200 -0.365 0.000 0.942 392 S CB -0.364 62.523 63.200 -0.521 0.000 0.768 392 S HN 0.570 nan 8.310 nan 0.000 0.520 393 E N 1.081 121.189 120.200 -0.152 0.000 2.360 393 E HA 0.096 4.446 4.350 0.000 0.000 0.269 393 E C 1.021 177.570 176.600 -0.085 0.000 1.022 393 E CA 0.135 56.482 56.400 -0.089 0.000 0.887 393 E CB 0.776 30.461 29.700 -0.025 0.000 0.990 393 E HN 0.317 nan 8.360 nan 0.000 0.426 394 T N -1.663 112.831 114.554 -0.100 0.000 3.057 394 T HA 0.064 4.414 4.350 0.000 0.000 0.254 394 T C 0.778 175.334 174.700 -0.240 0.000 1.094 394 T CA -0.306 61.702 62.100 -0.153 0.000 1.088 394 T CB 0.248 69.049 68.868 -0.112 0.000 0.934 394 T HN 0.127 nan 8.240 nan 0.000 0.497 395 V N 3.784 123.617 119.914 -0.135 0.000 2.470 395 V HA 0.159 4.279 4.120 0.000 0.000 0.276 395 V C 0.366 176.419 176.094 -0.068 0.000 1.040 395 V CA -0.735 61.511 62.300 -0.090 0.000 1.008 395 V CB -0.098 31.719 31.823 -0.009 0.000 0.990 395 V HN 0.560 nan 8.190 nan 0.000 0.477 396 H N 3.399 122.478 119.070 0.015 0.000 2.582 396 H HA 0.465 5.021 4.556 0.000 0.000 0.345 396 H C 0.286 175.615 175.328 0.003 0.000 1.104 396 H CA -0.060 55.996 56.048 0.012 0.000 1.390 396 H CB 1.438 31.206 29.762 0.009 0.000 1.461 396 H HN 0.714 nan 8.280 nan 0.000 0.551 397 S N 1.121 116.890 115.700 0.116 0.000 2.548 397 S HA 0.295 4.765 4.470 0.000 0.000 0.276 397 S C -0.094 174.505 174.600 -0.001 0.000 1.129 397 S CA -1.020 57.203 58.200 0.037 0.000 0.931 397 S CB 1.719 64.918 63.200 -0.001 0.000 1.068 397 S HN 0.716 nan 8.310 nan 0.000 0.480 398 S N 2.521 118.205 115.700 -0.027 0.000 2.569 398 S HA 0.175 4.645 4.470 0.000 0.000 0.274 398 S C 1.107 175.636 174.600 -0.119 0.000 1.353 398 S CA -0.627 57.541 58.200 -0.054 0.000 1.023 398 S CB 0.125 63.295 63.200 -0.050 0.000 0.876 398 S HN 0.767 nan 8.310 nan 0.000 0.540 399 L N 1.594 122.733 121.223 -0.141 0.000 2.079 399 L HA -0.044 4.296 4.340 0.000 0.000 0.210 399 L C 2.620 179.254 176.870 -0.393 0.000 1.081 399 L CA 1.951 56.615 54.840 -0.294 0.000 0.752 399 L CB -1.013 40.928 42.059 -0.196 0.000 0.896 399 L HN 0.878 nan 8.230 nan 0.000 0.433 400 E N -1.163 118.927 120.200 -0.184 0.000 2.077 400 E HA -0.248 4.102 4.350 0.000 0.000 0.193 400 E C 2.243 178.771 176.600 -0.120 0.000 0.989 400 E CA 1.294 57.629 56.400 -0.109 0.000 0.800 400 E CB -0.071 29.592 29.700 -0.061 0.000 0.746 400 E HN 0.549 nan 8.360 nan 0.000 0.452 401 Q N -0.414 119.306 119.800 -0.133 0.000 2.119 401 Q HA -0.136 4.204 4.340 0.000 0.000 0.201 401 Q C 1.943 177.815 176.000 -0.213 0.000 0.972 401 Q CA 0.679 56.406 55.803 -0.127 0.000 0.847 401 Q CB 0.009 28.691 28.738 -0.094 0.000 0.903 401 Q HN 0.177 nan 8.270 nan 0.000 0.433 402 L N 0.037 121.074 121.223 -0.311 0.000 1.994 402 L HA -0.193 4.147 4.340 0.000 0.000 0.208 402 L C 1.976 178.538 176.870 -0.514 0.000 1.071 402 L CA 1.985 56.501 54.840 -0.540 0.000 0.745 402 L CB -0.916 40.867 42.059 -0.459 0.000 0.892 402 L HN 0.313 nan 8.230 nan 0.000 0.431 403 H N -1.843 117.111 119.070 -0.192 0.000 2.387 403 H HA -0.114 4.442 4.556 0.000 0.000 0.299 403 H C 2.211 177.498 175.328 -0.069 0.000 1.099 403 H CA 1.027 57.044 56.048 -0.052 0.000 1.315 403 H CB 0.126 29.887 29.762 -0.002 0.000 1.380 403 H HN 0.329 nan 8.280 nan 0.000 0.513 404 S N 0.637 116.340 115.700 0.005 0.000 2.368 404 S HA -0.160 4.310 4.470 0.000 0.000 0.224 404 S C 1.957 176.536 174.600 -0.035 0.000 1.029 404 S CA 1.155 59.348 58.200 -0.013 0.000 0.988 404 S CB -0.058 63.125 63.200 -0.029 0.000 0.838 404 S HN 0.391 nan 8.310 nan 0.000 0.462 405 K N 0.292 120.617 120.400 -0.124 0.000 2.026 405 K HA -0.137 4.183 4.320 0.000 0.000 0.208 405 K C 1.810 178.391 176.600 -0.031 0.000 1.048 405 K CA 1.349 57.556 56.287 -0.133 0.000 0.929 405 K CB -0.293 32.050 32.500 -0.261 0.000 0.713 405 K HN 0.273 nan 8.250 nan 0.000 0.439 406 Y N 1.892 122.171 120.300 -0.035 0.000 2.224 406 Y HA -0.166 4.384 4.550 0.000 0.000 0.289 406 Y C 2.007 177.888 175.900 -0.032 0.000 1.146 406 Y CA 0.939 59.005 58.100 -0.056 0.000 1.182 406 Y CB -0.634 37.830 38.460 0.007 0.000 0.983 406 Y HN 0.217 nan 8.280 nan 0.000 0.524 407 D N 0.190 120.670 120.400 0.133 0.000 2.117 407 D HA -0.100 4.540 4.640 0.000 0.000 0.197 407 D C 0.816 177.152 176.300 0.059 0.000 0.987 407 D CA 0.839 54.875 54.000 0.059 0.000 0.829 407 D CB -0.230 40.582 40.800 0.021 0.000 0.961 407 D HN 0.440 nan 8.370 nan 0.000 0.460 411 V N 3.586 123.509 119.914 0.014 0.000 2.599 411 V HA 0.103 4.223 4.120 0.000 0.000 0.300 411 V C 1.645 177.677 176.094 -0.105 0.000 1.034 411 V CA 0.628 62.899 62.300 -0.048 0.000 1.115 411 V CB 0.772 32.524 31.823 -0.119 0.000 0.934 411 V HN 0.551 nan 8.190 nan 0.000 0.485 412 L N 4.282 125.423 121.223 -0.137 0.000 2.095 412 L HA 0.140 4.480 4.340 0.000 0.000 0.204 412 L C 0.114 176.516 176.870 -0.780 0.000 1.080 412 L CA 1.457 56.063 54.840 -0.390 0.000 0.759 412 L CB -0.131 41.754 42.059 -0.289 0.000 0.914 412 L HN 0.446 nan 8.230 nan 0.000 0.439 413 F N -0.889 119.017 119.950 -0.073 0.000 2.569 413 F HA 0.364 4.891 4.527 0.000 0.000 0.312 413 F C 0.021 175.785 175.800 -0.061 0.000 1.109 413 F CA -0.978 56.983 58.000 -0.065 0.000 0.919 413 F CB 1.868 40.842 39.000 -0.043 0.000 1.211 413 F HN -0.253 nan 8.300 nan 0.000 0.446 414 S N 1.346 117.134 115.700 0.146 0.000 2.503 414 S HA 0.923 5.393 4.470 0.000 0.000 0.301 414 S C -1.302 173.389 174.600 0.151 0.000 1.087 414 S CA -0.724 57.545 58.200 0.115 0.000 1.042 414 S CB 1.872 65.200 63.200 0.213 0.000 1.043 414 S HN 0.396 nan 8.310 nan 0.000 0.489 415 V N 2.899 122.897 119.914 0.140 0.000 2.540 415 V HA 0.585 4.705 4.120 0.000 0.000 0.302 415 V C -0.968 175.204 176.094 0.130 0.000 1.035 415 V CA -0.707 61.656 62.300 0.105 0.000 0.873 415 V CB 1.548 33.410 31.823 0.066 0.000 0.992 415 V HN 0.905 nan 8.190 nan 0.000 0.428 416 L N 5.867 127.154 121.223 0.107 0.000 2.333 416 L HA 0.714 5.054 4.340 0.000 0.000 0.280 416 L C -0.608 176.290 176.870 0.047 0.000 1.004 416 L CA -0.054 54.848 54.840 0.104 0.000 0.820 416 L CB 1.868 44.002 42.059 0.124 0.000 1.247 416 L HN 0.446 nan 8.230 nan 0.000 0.416 417 V N 4.347 124.281 119.914 0.034 0.000 2.398 417 V HA 0.744 4.864 4.120 0.000 0.000 0.286 417 V C 0.247 176.344 176.094 0.005 0.000 1.026 417 V CA -0.039 62.258 62.300 -0.006 0.000 0.868 417 V CB 1.569 33.370 31.823 -0.038 0.000 0.982 417 V HN 0.974 nan 8.190 nan 0.000 0.443 418 T N 0.225 114.777 114.554 -0.004 0.000 2.716 418 T HA 0.431 4.781 4.350 0.000 0.000 0.286 418 T C 0.815 175.512 174.700 -0.005 0.000 1.052 418 T CA -0.624 61.479 62.100 0.005 0.000 1.024 418 T CB 1.676 70.551 68.868 0.012 0.000 1.349 418 T HN 0.441 nan 8.240 nan 0.000 0.525 419 E N 0.264 120.465 120.200 0.002 0.000 2.097 419 E HA -0.169 4.181 4.350 0.000 0.000 0.196 419 E C 1.999 178.596 176.600 -0.004 0.000 1.000 419 E CA 1.917 58.316 56.400 -0.001 0.000 0.804 419 E CB -0.465 29.238 29.700 0.004 0.000 0.740 419 E HN 0.668 nan 8.360 nan 0.000 0.454 420 T N 0.399 114.951 114.554 -0.003 0.000 2.624 420 T HA -0.210 4.140 4.350 0.000 0.000 0.268 420 T C 1.938 176.629 174.700 -0.015 0.000 1.041 420 T CA 2.015 64.112 62.100 -0.005 0.000 1.159 420 T CB -0.583 68.284 68.868 -0.003 0.000 0.863 420 T HN 0.262 nan 8.240 nan 0.000 0.434 421 T N 2.535 117.073 114.554 -0.027 0.000 2.737 421 T HA -0.035 4.315 4.350 0.000 0.000 0.269 421 T C 1.913 176.586 174.700 -0.045 0.000 1.040 421 T CA 0.959 63.028 62.100 -0.052 0.000 1.142 421 T CB -0.514 68.317 68.868 -0.061 0.000 0.861 421 T HN 0.324 nan 8.240 nan 0.000 0.456 422 L N 0.261 121.467 121.223 -0.028 0.000 2.275 422 L HA -0.042 4.298 4.340 0.000 0.000 0.215 422 L C 2.603 179.468 176.870 -0.008 0.000 1.119 422 L CA 1.149 55.976 54.840 -0.020 0.000 0.790 422 L CB -0.472 41.578 42.059 -0.015 0.000 0.919 422 L HN 0.353 nan 8.230 nan 0.000 0.443 423 E N -0.182 120.016 120.200 -0.003 0.000 2.057 423 E HA -0.088 4.262 4.350 0.000 0.000 0.191 423 E C 1.318 177.931 176.600 0.023 0.000 0.959 423 E CA 0.501 56.906 56.400 0.008 0.000 0.828 423 E CB 0.081 29.785 29.700 0.008 0.000 0.800 423 E HN 0.231 nan 8.360 nan 0.000 0.460 424 N N -0.667 118.048 118.700 0.025 0.000 2.236 424 N HA 0.005 4.745 4.740 0.000 0.000 0.196 424 N C 0.628 176.191 175.510 0.088 0.000 1.114 424 N CA 0.782 53.869 53.050 0.062 0.000 0.859 424 N CB 1.109 39.627 38.487 0.051 0.000 0.982 424 N HN 0.294 nan 8.380 nan 0.000 0.493 425 G N 0.590 109.377 108.800 -0.023 0.000 2.168 425 G HA2 -0.244 3.716 3.960 0.000 0.000 0.263 425 G HA3 -0.244 3.716 3.960 0.000 0.000 0.263 425 G C -0.146 174.515 174.900 -0.398 0.000 0.977 425 G CA 0.293 45.251 45.100 -0.237 0.000 0.659 425 G HN 0.282 nan 8.290 nan 0.000 0.533 426 L N 0.743 121.877 121.223 -0.149 0.000 2.305 426 L HA 0.613 4.953 4.340 0.000 0.000 0.281 426 L C 0.892 177.705 176.870 -0.096 0.000 1.085 426 L CA -0.751 54.026 54.840 -0.106 0.000 0.813 426 L CB 0.801 42.847 42.059 -0.022 0.000 1.157 426 L HN 0.324 nan 8.230 nan 0.000 0.436 427 I N 0.449 120.960 120.570 -0.098 0.000 2.797 427 I HA 0.475 4.645 4.170 0.000 0.000 0.307 427 I C -0.305 175.787 176.117 -0.041 0.000 1.033 427 I CA -0.797 60.465 61.300 -0.062 0.000 1.071 427 I CB 1.504 39.462 38.000 -0.069 0.000 1.255 427 I HN 0.556 nan 8.210 nan 0.000 0.445 428 Q N 2.767 122.562 119.800 -0.010 0.000 2.303 428 Q HA 0.593 4.933 4.340 0.000 0.000 0.257 428 Q C -1.671 174.337 176.000 0.013 0.000 0.941 428 Q CA -0.776 55.030 55.803 0.004 0.000 0.931 428 Q CB 1.541 30.300 28.738 0.036 0.000 1.215 428 Q HN 0.771 nan 8.270 nan 0.000 0.437 429 L N 4.582 125.795 121.223 -0.017 0.000 2.313 429 L HA 0.537 4.877 4.340 0.000 0.000 0.283 429 L C -1.275 175.603 176.870 0.014 0.000 1.013 429 L CA -0.179 54.657 54.840 -0.007 0.000 0.816 429 L CB 1.538 43.536 42.059 -0.102 0.000 1.236 429 L HN 0.684 nan 8.230 nan 0.000 0.419 430 R N 3.429 123.957 120.500 0.047 0.000 2.480 430 R HA 0.534 4.874 4.340 0.000 0.000 0.306 430 R C -1.063 175.249 176.300 0.021 0.000 0.958 430 R CA -0.381 55.701 56.100 -0.030 0.000 0.861 430 R CB 1.725 31.896 30.300 -0.214 0.000 1.171 430 R HN 0.727 nan 8.270 nan 0.000 0.445 431 S N 2.349 118.041 115.700 -0.013 0.000 2.545 431 S HA 0.126 4.596 4.470 0.000 0.000 0.275 431 S C 1.226 175.690 174.600 -0.227 0.000 1.299 431 S CA -0.498 57.605 58.200 -0.162 0.000 1.048 431 S CB 1.266 64.421 63.200 -0.075 0.000 0.938 431 S HN 0.792 nan 8.310 nan 0.000 0.496 432 R N 2.764 123.063 120.500 -0.336 0.000 2.073 432 R HA -0.102 4.238 4.340 0.000 0.000 0.234 432 R C 0.765 176.962 176.300 -0.172 0.000 1.134 432 R CA 2.143 58.111 56.100 -0.220 0.000 0.952 432 R CB -0.405 29.754 30.300 -0.234 0.000 0.850 432 R HN 0.648 nan 8.270 nan 0.000 0.433 433 D N -0.781 119.501 120.400 -0.196 0.000 2.183 433 D HA -0.097 4.543 4.640 0.000 0.000 0.203 433 D C 1.733 177.982 176.300 -0.084 0.000 0.969 433 D CA 1.898 55.823 54.000 -0.126 0.000 0.842 433 D CB 0.095 40.824 40.800 -0.119 0.000 0.957 433 D HN 0.489 nan 8.370 nan 0.000 0.484 434 T N -3.176 111.331 114.554 -0.078 0.000 3.014 434 T HA 0.134 4.484 4.350 0.000 0.000 0.250 434 T C 0.867 175.532 174.700 -0.059 0.000 1.060 434 T CA 0.904 62.975 62.100 -0.049 0.000 1.040 434 T CB -0.081 68.773 68.868 -0.023 0.000 0.971 434 T HN 0.243 nan 8.240 nan 0.000 0.497 442 I N 3.647 123.905 120.570 -0.520 0.000 2.300 442 I HA -0.306 3.864 4.170 0.000 0.000 0.252 442 I C 1.958 178.024 176.117 -0.084 0.000 1.119 442 I CA 2.345 63.493 61.300 -0.254 0.000 1.384 442 I CB 0.047 37.890 38.000 -0.260 0.000 1.062 442 I HN 0.591 nan 8.210 nan 0.000 0.426 443 S N -0.164 115.573 115.700 0.061 0.000 2.500 443 S HA -0.148 4.322 4.470 0.000 0.000 0.239 443 S C 1.704 176.381 174.600 0.129 0.000 0.989 443 S CA 0.936 59.254 58.200 0.197 0.000 0.951 443 S CB -0.380 63.041 63.200 0.369 0.000 0.759 443 S HN 0.583 nan 8.310 nan 0.000 0.523 444 K N -0.260 120.206 120.400 0.109 0.000 2.355 444 K HA 0.333 4.654 4.320 0.000 0.000 0.198 444 K C 1.469 178.110 176.600 0.069 0.000 1.039 444 K CA -0.104 56.229 56.287 0.076 0.000 1.075 444 K CB -0.066 32.473 32.500 0.065 0.000 0.870 444 K HN 0.155 nan 8.250 nan 0.000 0.540 445 L N 2.502 123.747 121.223 0.036 0.000 1.990 445 L HA -0.193 4.147 4.340 0.000 0.000 0.213 445 L C 2.416 179.328 176.870 0.070 0.000 1.072 445 L CA 1.837 56.701 54.840 0.040 0.000 0.755 445 L CB -0.495 41.560 42.059 -0.007 0.000 0.889 445 L HN 0.121 nan 8.230 nan 0.000 0.432 446 R N -0.575 119.949 120.500 0.041 0.000 2.096 446 R HA -0.204 4.136 4.340 0.000 0.000 0.240 446 R C 1.911 178.231 176.300 0.033 0.000 1.139 446 R CA 2.145 58.264 56.100 0.030 0.000 0.952 446 R CB -0.619 29.695 30.300 0.023 0.000 0.854 446 R HN 0.456 nan 8.270 nan 0.000 0.436 447 D N -0.050 120.380 120.400 0.050 0.000 2.117 447 D HA -0.178 4.462 4.640 0.000 0.000 0.197 447 D C 1.641 177.976 176.300 0.057 0.000 0.987 447 D CA 1.149 55.178 54.000 0.048 0.000 0.829 447 D CB -0.447 40.390 40.800 0.061 0.000 0.961 447 D HN 0.244 nan 8.370 nan 0.000 0.460 448 F N 1.358 121.280 119.950 -0.046 0.000 2.134 448 F HA -0.136 4.391 4.527 0.000 0.000 0.299 448 F C 2.076 177.828 175.800 -0.080 0.000 1.097 448 F CA 1.169 59.127 58.000 -0.071 0.000 1.264 448 F CB -0.287 38.633 39.000 -0.133 0.000 1.001 448 F HN -0.121 nan 8.300 nan 0.000 0.479 449 L N -0.806 120.298 121.223 -0.197 0.000 2.044 449 L HA -0.161 4.179 4.340 0.000 0.000 0.205 449 L C 2.423 179.210 176.870 -0.139 0.000 1.075 449 L CA 0.848 55.525 54.840 -0.271 0.000 0.747 449 L CB -0.961 41.036 42.059 -0.104 0.000 0.903 449 L HN -0.044 nan 8.230 nan 0.000 0.435 450 V N 0.166 120.041 119.914 -0.066 0.000 2.392 450 V HA -0.319 3.801 4.120 0.000 0.000 0.249 450 V C 2.492 178.560 176.094 -0.043 0.000 1.059 450 V CA 1.860 64.143 62.300 -0.027 0.000 1.051 450 V CB -0.514 31.305 31.823 -0.006 0.000 0.658 450 V HN 0.418 nan 8.190 nan 0.000 0.455 451 K N -1.326 119.024 120.400 -0.084 0.000 2.044 451 K HA -0.128 4.192 4.320 0.000 0.000 0.204 451 K C 2.191 178.724 176.600 -0.112 0.000 1.049 451 K CA 1.488 57.725 56.287 -0.083 0.000 0.945 451 K CB -0.359 32.099 32.500 -0.069 0.000 0.724 451 K HN 0.501 nan 8.250 nan 0.000 0.440 452 Y N 1.959 122.045 120.300 -0.357 0.000 2.151 452 Y HA -0.251 4.299 4.550 0.000 0.000 0.284 452 Y C 1.742 177.560 175.900 -0.137 0.000 1.166 452 Y CA 1.491 59.401 58.100 -0.318 0.000 1.163 452 Y CB -0.136 37.986 38.460 -0.564 0.000 0.974 452 Y HN -0.047 nan 8.280 nan 0.000 0.511 453 L N -0.650 120.599 121.223 0.044 0.000 2.056 453 L HA -0.168 4.172 4.340 0.000 0.000 0.207 453 L C 2.813 179.666 176.870 -0.029 0.000 1.078 453 L CA 0.977 55.840 54.840 0.038 0.000 0.749 453 L CB -0.986 41.128 42.059 0.092 0.000 0.901 453 L HN 0.317 nan 8.230 nan 0.000 0.433 454 A N -0.586 122.216 122.820 -0.030 0.000 1.908 454 A HA -0.213 4.107 4.320 0.000 0.000 0.218 454 A C 2.471 180.030 177.584 -0.041 0.000 1.181 454 A CA 2.225 54.251 52.037 -0.018 0.000 0.627 454 A CB -0.638 18.353 19.000 -0.014 0.000 0.818 454 A HN 0.365 nan 8.150 nan 0.000 0.445 455 S N -0.750 114.889 115.700 -0.102 0.000 2.453 455 S HA 0.135 4.605 4.470 0.000 0.000 0.231 455 S C 1.988 176.519 174.600 -0.116 0.000 1.005 455 S CA 0.843 58.975 58.200 -0.113 0.000 0.949 455 S CB -0.178 62.928 63.200 -0.157 0.000 0.774 455 S HN 0.768 nan 8.310 nan 0.000 0.510 456 A N 1.075 123.801 122.820 -0.157 0.000 2.030 456 A HA 0.094 4.414 4.320 0.000 0.000 0.215 456 A C 2.139 179.775 177.584 0.086 0.000 1.164 456 A CA 1.135 53.127 52.037 -0.075 0.000 0.697 456 A CB -0.259 18.624 19.000 -0.194 0.000 0.827 456 A HN 0.543 nan 8.150 nan 0.000 0.457 457 S N -1.152 114.587 115.700 0.065 0.000 2.497 457 S HA 0.023 4.493 4.470 0.000 0.000 0.218 457 S C 1.319 175.982 174.600 0.104 0.000 1.023 457 S CA 0.568 58.836 58.200 0.114 0.000 0.913 457 S CB -0.602 62.662 63.200 0.107 0.000 0.800 457 S HN 0.616 nan 8.310 nan 0.000 0.505 458 N N 1.459 120.198 118.700 0.064 0.000 2.398 458 N HA 0.078 4.818 4.740 0.000 0.000 0.188 458 N C -0.317 175.214 175.510 0.035 0.000 1.122 458 N CA -0.075 53.010 53.050 0.058 0.000 0.866 458 N CB 0.189 38.695 38.487 0.031 0.000 0.970 458 N HN 0.158 nan 8.380 nan 0.000 0.462 459 V N 2.315 122.250 119.914 0.034 0.000 2.726 459 V HA -0.110 4.010 4.120 0.000 0.000 0.304 459 V C 0.897 176.987 176.094 -0.008 0.000 1.115 459 V CA 0.043 62.352 62.300 0.015 0.000 1.264 459 V CB 0.027 31.871 31.823 0.035 0.000 0.867 459 V HN 0.266 nan 8.190 nan 0.000 0.498 460 A N 5.042 127.847 122.820 -0.025 0.000 2.462 460 A HA 0.565 4.885 4.320 0.000 0.000 0.243 460 A C 1.589 179.137 177.584 -0.060 0.000 1.076 460 A CA 0.228 52.238 52.037 -0.045 0.000 0.773 460 A CB 0.353 19.328 19.000 -0.041 0.000 1.010 460 A HN 1.467 nan 8.150 nan 0.000 0.493 461 A N 2.496 125.279 122.820 -0.063 0.000 1.915 461 A HA -0.066 4.254 4.320 0.000 0.000 0.220 461 A C 2.205 179.759 177.584 -0.050 0.000 1.198 461 A CA 2.714 54.721 52.037 -0.051 0.000 0.647 461 A CB -1.014 17.972 19.000 -0.023 0.000 0.825 461 A HN 1.901 nan 8.150 nan 0.000 0.456 462 A N -1.757 121.043 122.820 -0.033 0.000 2.235 462 A HA 0.393 4.713 4.320 0.000 0.000 0.208 462 A C 1.655 179.223 177.584 -0.025 0.000 1.172 462 A CA 1.022 53.049 52.037 -0.016 0.000 0.786 462 A CB -0.317 18.674 19.000 -0.015 0.000 0.804 462 A HN 0.487 nan 8.150 nan 0.000 0.479 463 L N -2.248 118.946 121.223 -0.047 0.000 2.920 463 L HA 0.129 4.469 4.340 0.000 0.000 0.257 463 L C 1.203 178.036 176.870 -0.061 0.000 1.150 463 L CA -0.058 54.775 54.840 -0.012 0.000 0.959 463 L CB 0.109 42.177 42.059 0.015 0.000 1.321 463 L HN 0.059 nan 8.230 nan 0.000 0.555 464 D N 0.746 120.992 120.400 -0.258 0.000 2.191 464 D HA -0.221 4.419 4.640 0.000 0.000 0.190 464 D C 1.344 177.151 176.300 -0.822 0.000 1.007 464 D CA 1.575 55.223 54.000 -0.587 0.000 0.865 464 D CB 0.041 40.230 40.800 -1.018 0.000 0.929 464 D HN 0.326 nan 8.370 nan 0.000 0.447 465 H N -0.740 118.164 119.070 -0.278 0.000 2.550 465 H HA 0.070 4.626 4.556 0.000 0.000 0.304 465 H C 1.409 176.394 175.328 -0.571 0.000 1.086 465 H CA 0.049 55.867 56.048 -0.383 0.000 1.089 465 H CB -0.408 29.181 29.762 -0.289 0.000 1.528 465 H HN 0.548 nan 8.280 nan 0.000 0.539 466 H N 0.127 119.058 119.070 -0.232 0.000 2.491 466 H HA -0.098 4.458 4.556 0.000 0.000 0.290 466 H C -0.246 174.949 175.328 -0.220 0.000 1.050 466 H CA 0.749 56.659 56.048 -0.229 0.000 1.309 466 H CB -0.455 29.206 29.762 -0.167 0.000 1.392 466 H HN 0.487 nan 8.280 nan 0.000 0.554 467 H N 1.921 120.625 119.070 -0.609 0.000 2.680 467 H HA -0.155 4.401 4.556 0.000 0.000 0.328 467 H C -0.066 175.183 175.328 -0.132 0.000 1.139 467 H CA 0.055 55.904 56.048 -0.332 0.000 1.124 467 H CB -1.451 28.232 29.762 -0.132 0.000 1.584 467 H HN 0.597 nan 8.280 nan 0.000 0.410 468 H N 0.000 119.316 119.070 0.410 0.000 2.539 468 H HA 0.000 4.556 4.556 0.000 0.000 0.296 468 H CA 0.000 56.211 56.048 0.271 0.000 1.023 468 H CB 0.000 29.868 29.762 0.176 0.000 1.292 468 H HN 0.000 nan 8.280 nan 0.000 0.496