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 1i0d_1_B DATA FIRST_RESID 34 DATA SEQUENCE GDRINTVRGP ITISEAGFTL THEHICGSSA GFLRAWPEFF GSRKALAEKA DATA SEQUENCE VRGLRRARAA GVRTIVDVST FDIGRDVSLL AEVSRAADVH IVAATGLWFD DATA SEQUENCE PPLSMRLRSV EELTQFFLRE IQYGIEDTGI RAGIIKVATT GKATPFQELV DATA SEQUENCE LKAAARASLA TGVPVTTHTA ASQRDGEQQA AIFESEGLSP SRVCIGHSDD DATA SEQUENCE TDDLSYLTAL AARGYLIGLD HIPHSAIGLE DNASASALLG IRSWQTRALL DATA SEQUENCE IKALIDQGYM KQILVSNDWL FGFSSYVTNI MDVMDRVNPD GMAFIPLRVI DATA SEQUENCE PFLREKGVPQ ETLAGITVTN PARFLSPTLR A 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 34 G HA2 0.000 nan 3.960 nan 0.000 0.244 34 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 34 G C 0.000 174.871 174.900 -0.048 0.000 0.946 34 G CA 0.000 45.068 45.100 -0.054 0.000 0.502 35 D N 0.745 121.118 120.400 -0.044 0.000 2.360 35 D HA 0.127 4.767 4.640 0.001 0.000 0.210 35 D C 0.782 177.054 176.300 -0.046 0.000 1.047 35 D CA 0.083 54.059 54.000 -0.040 0.000 0.854 35 D CB 0.765 41.546 40.800 -0.031 0.000 0.936 35 D HN 0.360 nan 8.370 nan 0.000 0.514 36 R N -0.439 120.028 120.500 -0.055 0.000 2.698 36 R HA 0.607 4.948 4.340 0.001 0.000 0.275 36 R C -1.143 175.112 176.300 -0.076 0.000 1.001 36 R CA -0.638 55.424 56.100 -0.063 0.000 0.896 36 R CB 2.262 32.529 30.300 -0.055 0.000 1.218 36 R HN -0.060 nan 8.270 nan 0.000 0.462 37 I N 1.803 122.321 120.570 -0.087 0.000 2.404 37 I HA 0.293 4.464 4.170 0.001 0.000 0.293 37 I C -0.303 175.760 176.117 -0.091 0.000 0.992 37 I CA -0.625 60.617 61.300 -0.095 0.000 1.149 37 I CB 1.967 39.907 38.000 -0.101 0.000 1.315 37 I HN 0.490 nan 8.210 nan 0.000 0.446 38 N N 3.883 122.533 118.700 -0.084 0.000 2.497 38 N HA 0.313 5.054 4.740 0.001 0.000 0.271 38 N C -0.336 175.139 175.510 -0.057 0.000 1.142 38 N CA -0.118 52.892 53.050 -0.067 0.000 0.965 38 N CB 0.970 39.416 38.487 -0.068 0.000 1.077 38 N HN 0.667 nan 8.380 nan 0.000 0.462 39 T N -2.412 112.119 114.554 -0.038 0.000 2.888 39 T HA 0.233 4.583 4.350 0.001 0.000 0.288 39 T C 1.245 175.950 174.700 0.008 0.000 1.063 39 T CA -0.918 61.177 62.100 -0.009 0.000 1.010 39 T CB 0.975 69.853 68.868 0.016 0.000 1.214 39 T HN 0.166 nan 8.240 nan 0.000 0.533 40 V N -0.896 119.033 119.914 0.025 0.000 3.078 40 V HA 0.147 4.267 4.120 0.001 0.000 0.265 40 V C 1.777 177.890 176.094 0.031 0.000 1.122 40 V CA 0.878 63.193 62.300 0.025 0.000 1.141 40 V CB -1.233 30.606 31.823 0.026 0.000 0.735 40 V HN 0.832 nan 8.190 nan 0.000 0.498 41 R N 0.769 121.296 120.500 0.045 0.000 2.397 41 R HA 0.532 4.873 4.340 0.001 0.000 0.241 41 R C 0.920 177.240 176.300 0.034 0.000 0.914 41 R CA 0.520 56.647 56.100 0.045 0.000 1.071 41 R CB 0.759 31.101 30.300 0.070 0.000 1.116 41 R HN 0.729 nan 8.270 nan 0.000 0.524 42 G N 1.523 110.335 108.800 0.019 0.000 2.373 42 G HA2 -0.145 3.816 3.960 0.001 0.000 0.634 42 G HA3 -0.145 3.816 3.960 0.001 0.000 0.634 42 G C -3.049 171.842 174.900 -0.016 0.000 1.267 42 G CA -1.271 43.831 45.100 0.003 0.000 1.008 42 G HN -0.132 nan 8.290 nan 0.000 0.497 43 P HA 0.572 nan 4.420 nan 0.000 0.275 43 P C 0.003 177.265 177.300 -0.063 0.000 1.227 43 P CA -0.146 62.925 63.100 -0.047 0.000 0.781 43 P CB 0.867 32.544 31.700 -0.039 0.000 0.906 44 I N -1.410 119.098 120.570 -0.104 0.000 2.892 44 I HA 0.642 4.813 4.170 0.001 0.000 0.306 44 I C 0.097 176.149 176.117 -0.110 0.000 1.078 44 I CA -1.048 60.167 61.300 -0.141 0.000 1.032 44 I CB 2.314 40.120 38.000 -0.323 0.000 1.229 44 I HN 0.240 nan 8.210 nan 0.000 0.435 45 T N 0.916 115.418 114.554 -0.087 0.000 2.828 45 T HA 0.326 4.677 4.350 0.001 0.000 0.290 45 T C 1.343 176.001 174.700 -0.069 0.000 1.019 45 T CA -0.713 61.350 62.100 -0.062 0.000 1.031 45 T CB 1.045 69.891 68.868 -0.037 0.000 1.001 45 T HN 0.523 nan 8.240 nan 0.000 0.531 46 I N 1.508 122.047 120.570 -0.051 0.000 2.264 46 I HA -0.170 4.001 4.170 0.001 0.000 0.248 46 I C 2.835 178.935 176.117 -0.028 0.000 1.111 46 I CA 1.761 63.035 61.300 -0.043 0.000 1.382 46 I CB -2.062 35.918 38.000 -0.033 0.000 1.060 46 I HN 0.892 nan 8.210 nan 0.000 0.418 47 S N 0.683 116.371 115.700 -0.019 0.000 2.423 47 S HA -0.147 4.324 4.470 0.001 0.000 0.231 47 S C 1.652 176.258 174.600 0.011 0.000 1.014 47 S CA 0.785 58.985 58.200 -0.001 0.000 0.965 47 S CB -0.565 62.637 63.200 0.004 0.000 0.785 47 S HN 0.540 nan 8.310 nan 0.000 0.495 48 E N 1.580 121.774 120.200 -0.011 0.000 2.347 48 E HA 0.080 4.431 4.350 0.001 0.000 0.196 48 E C 2.242 178.850 176.600 0.013 0.000 1.008 48 E CA 0.593 56.998 56.400 0.008 0.000 0.852 48 E CB -0.330 29.334 29.700 -0.059 0.000 0.783 48 E HN 0.718 nan 8.360 nan 0.000 0.505 49 A N 1.558 124.362 122.820 -0.026 0.000 1.902 49 A HA 0.006 4.327 4.320 0.001 0.000 0.217 49 A C 1.629 179.289 177.584 0.126 0.000 1.181 49 A CA 1.446 53.496 52.037 0.021 0.000 0.623 49 A CB -1.068 17.929 19.000 -0.005 0.000 0.818 49 A HN 0.356 nan 8.150 nan 0.000 0.443 50 G N -1.408 107.453 108.800 0.101 0.000 2.578 50 G HA2 -0.242 3.719 3.960 0.001 0.000 0.275 50 G HA3 -0.242 3.719 3.960 0.001 0.000 0.275 50 G C 0.029 175.031 174.900 0.170 0.000 1.271 50 G CA 0.093 45.275 45.100 0.136 0.000 0.941 50 G HN 1.211 nan 8.290 nan 0.000 0.564 51 F N 2.782 122.760 119.950 0.047 0.000 2.557 51 F HA 0.492 5.020 4.527 0.001 0.000 0.384 51 F C 0.887 176.718 175.800 0.053 0.000 1.057 51 F CA 0.717 58.742 58.000 0.041 0.000 1.169 51 F CB 0.145 39.163 39.000 0.030 0.000 1.070 51 F HN 0.474 nan 8.300 nan 0.000 0.554 52 T N 7.755 122.388 114.554 0.132 0.000 2.841 52 T HA 0.469 4.820 4.350 0.001 0.000 0.283 52 T C -0.379 174.397 174.700 0.127 0.000 1.000 52 T CA -0.657 61.543 62.100 0.167 0.000 0.977 52 T CB 1.282 70.200 68.868 0.084 0.000 0.979 52 T HN 0.384 nan 8.240 nan 0.000 0.446 53 L N 3.428 124.765 121.223 0.191 0.000 2.255 53 L HA 0.302 4.643 4.340 0.001 0.000 0.289 53 L C 1.751 178.691 176.870 0.115 0.000 1.046 53 L CA -0.551 54.388 54.840 0.164 0.000 0.816 53 L CB 1.019 43.196 42.059 0.196 0.000 1.197 53 L HN 0.882 nan 8.230 nan 0.000 0.427 54 T N -1.937 112.674 114.554 0.094 0.000 3.113 54 T HA -0.052 4.299 4.350 0.001 0.000 0.256 54 T C 0.484 175.246 174.700 0.104 0.000 1.131 54 T CA 0.430 62.587 62.100 0.094 0.000 1.074 54 T CB -0.303 68.609 68.868 0.075 0.000 0.944 54 T HN 0.608 nan 8.240 nan 0.000 0.516 55 H N 0.485 119.557 119.070 0.003 0.000 3.162 55 H HA 0.467 5.024 4.556 0.001 0.000 0.309 55 H C -1.014 174.278 175.328 -0.059 0.000 1.156 55 H CA -0.552 55.470 56.048 -0.043 0.000 1.586 55 H CB 0.593 30.343 29.762 -0.020 0.000 1.740 55 H HN 0.032 nan 8.280 nan 0.000 0.525 56 E N 2.348 122.466 120.200 -0.138 0.000 2.459 56 E HA 0.403 4.753 4.350 0.001 0.000 0.275 56 E C -0.914 175.382 176.600 -0.506 0.000 0.987 56 E CA -0.910 55.429 56.400 -0.102 0.000 0.828 56 E CB 2.133 31.850 29.700 0.027 0.000 1.428 56 E HN 0.594 nan 8.360 nan 0.000 0.457 57 H N 0.141 119.183 119.070 -0.046 0.000 3.046 57 H HA 0.287 4.843 4.556 0.001 0.000 0.363 57 H C 0.771 176.052 175.328 -0.079 0.000 1.203 57 H CA -0.507 55.475 56.048 -0.109 0.000 1.169 57 H CB 1.638 31.272 29.762 -0.213 0.000 1.851 57 H HN 0.257 nan 8.280 nan 0.000 0.546 58 I N 0.340 120.986 120.570 0.126 0.000 2.400 58 I HA -0.042 4.129 4.170 0.001 0.000 0.248 58 I C 1.137 177.333 176.117 0.132 0.000 1.109 58 I CA 1.039 62.478 61.300 0.233 0.000 1.425 58 I CB 0.048 38.154 38.000 0.176 0.000 1.094 58 I HN 0.349 nan 8.210 nan 0.000 0.425 59 C N 0.579 119.882 119.300 0.005 0.000 2.701 59 C HA 0.722 5.183 4.460 0.001 0.000 0.336 59 C C 0.274 175.152 174.990 -0.186 0.000 1.123 59 C CA -0.614 58.344 59.018 -0.101 0.000 1.326 59 C CB 0.660 28.288 27.740 -0.186 0.000 1.833 59 C HN 0.510 nan 8.230 nan 0.000 0.473 60 G N 3.858 112.497 108.800 -0.269 0.000 2.475 60 G HA2 0.538 4.498 3.960 0.001 0.000 0.322 60 G HA3 0.538 4.498 3.960 0.001 0.000 0.322 60 G C -0.088 174.741 174.900 -0.118 0.000 1.044 60 G CA 0.303 45.145 45.100 -0.429 0.000 1.047 60 G HN 0.997 nan 8.290 nan 0.000 0.436 61 S N 1.213 116.806 115.700 -0.179 0.000 3.923 61 S HA 0.843 5.314 4.470 0.001 0.000 0.280 61 S C -0.120 174.381 174.600 -0.165 0.000 1.070 61 S CA -0.362 57.778 58.200 -0.101 0.000 1.300 61 S CB 1.206 64.445 63.200 0.064 0.000 1.322 61 S HN 0.542 nan 8.310 nan 0.000 0.762 62 S N 0.427 116.068 115.700 -0.098 0.000 2.564 62 S HA 0.758 5.228 4.470 0.001 0.000 0.274 62 S C -0.812 173.761 174.600 -0.044 0.000 1.124 62 S CA -0.273 57.882 58.200 -0.075 0.000 0.869 62 S CB 1.487 64.641 63.200 -0.077 0.000 1.105 62 S HN 1.035 nan 8.310 nan 0.000 0.472 63 A N 0.764 123.468 122.820 -0.193 0.000 2.566 63 A HA 0.464 4.785 4.320 0.001 0.000 0.245 63 A C 1.564 179.101 177.584 -0.079 0.000 1.056 63 A CA 0.754 52.589 52.037 -0.337 0.000 0.757 63 A CB -1.259 17.226 19.000 -0.860 0.000 0.979 63 A HN 2.089 nan 8.150 nan 0.000 0.508 64 G N 1.528 110.315 108.800 -0.023 0.000 2.220 64 G HA2 -0.388 3.572 3.960 0.001 0.000 0.269 64 G HA3 -0.388 3.572 3.960 0.001 0.000 0.269 64 G C 0.847 175.827 174.900 0.133 0.000 0.977 64 G CA 1.099 46.236 45.100 0.060 0.000 0.634 64 G HN 1.211 nan 8.290 nan 0.000 0.539 65 F N 0.548 120.524 119.950 0.042 0.000 2.102 65 F HA 0.094 4.623 4.527 0.002 0.000 0.298 65 F C 2.483 178.409 175.800 0.209 0.000 1.105 65 F CA 2.257 60.327 58.000 0.116 0.000 1.239 65 F CB -0.231 38.811 39.000 0.069 0.000 0.991 65 F HN 0.231 nan 8.300 nan 0.000 0.474 66 L N 0.947 122.365 121.223 0.325 0.000 2.079 66 L HA -0.180 4.161 4.340 0.001 0.000 0.210 66 L C 2.346 179.298 176.870 0.136 0.000 1.081 66 L CA 1.776 56.774 54.840 0.263 0.000 0.752 66 L CB -0.759 41.361 42.059 0.101 0.000 0.896 66 L HN 0.054 nan 8.230 nan 0.000 0.433 67 R N -0.622 119.931 120.500 0.087 0.000 2.115 67 R HA 0.070 4.411 4.340 0.001 0.000 0.226 67 R C 2.068 178.394 176.300 0.043 0.000 1.100 67 R CA 1.085 57.222 56.100 0.062 0.000 0.980 67 R CB -0.558 29.774 30.300 0.053 0.000 0.875 67 R HN 0.506 nan 8.270 nan 0.000 0.445 68 A N -0.425 122.402 122.820 0.012 0.000 2.021 68 A HA -0.071 4.250 4.320 0.001 0.000 0.216 68 A C 0.598 178.175 177.584 -0.011 0.000 1.163 68 A CA 0.448 52.470 52.037 -0.025 0.000 0.676 68 A CB 0.026 18.997 19.000 -0.048 0.000 0.818 68 A HN 0.435 nan 8.150 nan 0.000 0.453 69 W N 0.811 121.921 121.300 -0.318 0.000 1.375 69 W HA 0.370 5.030 4.660 0.000 0.000 0.310 69 W C -2.613 173.836 176.519 -0.116 0.000 0.887 69 W CA -2.264 54.894 57.345 -0.312 0.000 1.672 69 W CB 0.902 29.965 29.460 -0.662 0.000 1.824 69 W HN 0.123 nan 8.180 nan 0.000 0.448 70 P HA -0.203 nan 4.420 nan 0.000 0.219 70 P C 0.851 178.328 177.300 0.295 0.000 1.146 70 P CA 1.807 65.096 63.100 0.316 0.000 0.808 70 P CB 0.454 32.279 31.700 0.208 0.000 0.779 71 E N -1.031 119.318 120.200 0.248 0.000 2.401 71 E HA -0.125 4.226 4.350 0.001 0.000 0.199 71 E C 1.576 178.148 176.600 -0.047 0.000 1.023 71 E CA 0.476 56.969 56.400 0.155 0.000 0.859 71 E CB -1.192 28.640 29.700 0.220 0.000 0.780 71 E HN 0.282 nan 8.360 nan 0.000 0.523 72 F N -0.305 119.352 119.950 -0.488 0.000 2.269 72 F HA -0.106 4.421 4.527 0.001 0.000 0.301 72 F C 0.823 176.211 175.800 -0.688 0.000 1.082 72 F CA 1.057 58.528 58.000 -0.882 0.000 1.360 72 F CB 0.126 38.310 39.000 -1.360 0.000 1.041 72 F HN -0.038 nan 8.300 nan 0.000 0.512 73 F N -0.146 119.823 119.950 0.031 0.000 2.668 73 F HA 0.395 4.922 4.527 0.001 0.000 0.297 73 F C 1.533 177.322 175.800 -0.017 0.000 1.124 73 F CA 0.385 58.397 58.000 0.020 0.000 1.353 73 F CB 0.285 39.366 39.000 0.135 0.000 0.992 73 F HN 0.145 nan 8.300 nan 0.000 0.524 74 G N 0.723 109.555 108.800 0.053 0.000 4.165 74 G HA2 -0.238 3.723 3.960 0.001 0.000 0.211 74 G HA3 -0.238 3.723 3.960 0.001 0.000 0.211 74 G C 0.225 175.181 174.900 0.094 0.000 1.469 74 G CA 0.072 45.202 45.100 0.050 0.000 0.964 74 G HN 0.877 nan 8.290 nan 0.000 0.613 75 S N -1.273 114.511 115.700 0.140 0.000 2.595 75 S HA 0.660 5.131 4.470 0.001 0.000 0.270 75 S C 0.354 175.037 174.600 0.139 0.000 1.145 75 S CA 0.647 58.926 58.200 0.132 0.000 0.825 75 S CB 1.537 64.787 63.200 0.084 0.000 1.107 75 S HN 0.949 nan 8.310 nan 0.000 0.461 76 R N 1.028 121.596 120.500 0.112 0.000 2.081 76 R HA -0.046 4.295 4.340 0.001 0.000 0.235 76 R C 2.113 178.436 176.300 0.039 0.000 1.131 76 R CA 1.748 57.890 56.100 0.070 0.000 0.960 76 R CB -0.419 29.915 30.300 0.055 0.000 0.856 76 R HN 0.754 nan 8.270 nan 0.000 0.436 77 K N -0.096 120.328 120.400 0.040 0.000 2.057 77 K HA -0.132 4.188 4.320 0.001 0.000 0.207 77 K C 1.918 178.529 176.600 0.018 0.000 1.049 77 K CA 1.458 57.758 56.287 0.022 0.000 0.931 77 K CB -0.159 32.355 32.500 0.022 0.000 0.714 77 K HN 0.253 nan 8.250 nan 0.000 0.440 78 A N 1.323 124.165 122.820 0.038 0.000 1.902 78 A HA -0.164 4.157 4.320 0.001 0.000 0.217 78 A C 2.049 179.654 177.584 0.034 0.000 1.181 78 A CA 1.397 53.457 52.037 0.038 0.000 0.623 78 A CB -0.579 18.457 19.000 0.059 0.000 0.818 78 A HN 0.403 nan 8.150 nan 0.000 0.443 79 L N -0.326 120.925 121.223 0.047 0.000 2.056 79 L HA -0.020 4.321 4.340 0.001 0.000 0.207 79 L C 2.635 179.486 176.870 -0.031 0.000 1.078 79 L CA 2.184 57.038 54.840 0.025 0.000 0.749 79 L CB -0.705 41.338 42.059 -0.026 0.000 0.901 79 L HN 0.321 nan 8.230 nan 0.000 0.433 80 A N -0.693 122.105 122.820 -0.037 0.000 1.902 80 A HA -0.235 4.086 4.320 0.001 0.000 0.217 80 A C 2.175 179.702 177.584 -0.094 0.000 1.181 80 A CA 1.897 53.896 52.037 -0.063 0.000 0.623 80 A CB -0.666 18.311 19.000 -0.039 0.000 0.818 80 A HN 0.621 nan 8.150 nan 0.000 0.443 81 E N -0.552 119.609 120.200 -0.065 0.000 2.110 81 E HA -0.193 4.158 4.350 0.001 0.000 0.193 81 E C 2.098 178.630 176.600 -0.113 0.000 0.988 81 E CA 1.293 57.650 56.400 -0.073 0.000 0.804 81 E CB -0.116 29.562 29.700 -0.037 0.000 0.745 81 E HN 0.665 nan 8.360 nan 0.000 0.458 82 K N 0.821 121.159 120.400 -0.104 0.000 2.057 82 K HA -0.136 4.185 4.320 0.001 0.000 0.207 82 K C 2.140 178.482 176.600 -0.429 0.000 1.049 82 K CA 1.176 57.385 56.287 -0.129 0.000 0.931 82 K CB -0.091 32.414 32.500 0.010 0.000 0.714 82 K HN 0.079 nan 8.250 nan 0.000 0.440 83 A N 0.709 123.184 122.820 -0.574 0.000 1.902 83 A HA -0.098 4.223 4.320 0.001 0.000 0.217 83 A C 2.226 179.373 177.584 -0.729 0.000 1.181 83 A CA 1.555 52.891 52.037 -1.168 0.000 0.623 83 A CB -0.585 18.096 19.000 -0.532 0.000 0.818 83 A HN 0.181 nan 8.150 nan 0.000 0.443 84 V N 0.017 119.716 119.914 -0.359 0.000 2.343 84 V HA -0.258 3.863 4.120 0.001 0.000 0.247 84 V C 2.640 178.615 176.094 -0.199 0.000 1.051 84 V CA 2.166 64.333 62.300 -0.220 0.000 1.036 84 V CB -0.808 30.936 31.823 -0.132 0.000 0.654 84 V HN 0.515 nan 8.190 nan 0.000 0.451 85 R N 0.069 120.451 120.500 -0.196 0.000 2.073 85 R HA -0.119 4.222 4.340 0.001 0.000 0.234 85 R C 2.486 178.721 176.300 -0.108 0.000 1.134 85 R CA 1.584 57.611 56.100 -0.121 0.000 0.952 85 R CB -0.870 29.380 30.300 -0.082 0.000 0.850 85 R HN 0.591 nan 8.270 nan 0.000 0.433 86 G N 1.035 109.719 108.800 -0.194 0.000 2.418 86 G HA2 -0.213 3.748 3.960 0.001 0.000 0.217 86 G HA3 -0.213 3.748 3.960 0.001 0.000 0.217 86 G C 1.464 176.396 174.900 0.053 0.000 1.158 86 G CA 0.373 45.481 45.100 0.014 0.000 0.771 86 G HN 0.124 nan 8.290 nan 0.000 0.545 87 L N -0.284 120.898 121.223 -0.068 0.000 2.083 87 L HA -0.020 4.321 4.340 0.001 0.000 0.209 87 L C 3.150 180.013 176.870 -0.013 0.000 1.083 87 L CA 0.841 55.693 54.840 0.019 0.000 0.752 87 L CB -0.281 41.761 42.059 -0.028 0.000 0.899 87 L HN 0.142 nan 8.230 nan 0.000 0.433 88 R N -0.287 120.184 120.500 -0.047 0.000 2.096 88 R HA -0.116 4.224 4.340 0.001 0.000 0.235 88 R C 2.431 178.710 176.300 -0.035 0.000 1.127 88 R CA 1.137 57.210 56.100 -0.045 0.000 0.968 88 R CB -0.206 30.063 30.300 -0.052 0.000 0.861 88 R HN 0.355 nan 8.270 nan 0.000 0.440 89 R N 0.116 120.603 120.500 -0.021 0.000 2.073 89 R HA -0.015 4.326 4.340 0.001 0.000 0.229 89 R C 2.318 178.600 176.300 -0.030 0.000 1.120 89 R CA 1.218 57.306 56.100 -0.020 0.000 0.967 89 R CB -0.262 30.037 30.300 -0.002 0.000 0.862 89 R HN 0.177 nan 8.270 nan 0.000 0.436 90 A N 1.260 124.077 122.820 -0.006 0.000 1.902 90 A HA -0.185 4.136 4.320 0.001 0.000 0.217 90 A C 2.132 179.671 177.584 -0.075 0.000 1.181 90 A CA 1.297 53.317 52.037 -0.027 0.000 0.623 90 A CB -0.449 18.574 19.000 0.038 0.000 0.818 90 A HN 0.222 nan 8.150 nan 0.000 0.443 91 R N -0.309 120.159 120.500 -0.053 0.000 2.081 91 R HA -0.109 4.232 4.340 0.001 0.000 0.235 91 R C 2.263 178.511 176.300 -0.087 0.000 1.131 91 R CA 1.462 57.520 56.100 -0.070 0.000 0.960 91 R CB -0.427 29.840 30.300 -0.056 0.000 0.856 91 R HN 0.424 nan 8.270 nan 0.000 0.436 92 A N 0.613 123.389 122.820 -0.074 0.000 1.978 92 A HA -0.097 4.224 4.320 0.001 0.000 0.220 92 A C 2.168 179.694 177.584 -0.098 0.000 1.170 92 A CA 1.679 53.673 52.037 -0.072 0.000 0.636 92 A CB -0.599 18.367 19.000 -0.056 0.000 0.810 92 A HN 0.526 nan 8.150 nan 0.000 0.448 93 A N -2.182 120.562 122.820 -0.127 0.000 2.238 93 A HA 0.417 4.737 4.320 0.001 0.000 0.208 93 A C 1.715 179.134 177.584 -0.276 0.000 1.177 93 A CA 1.245 53.176 52.037 -0.176 0.000 0.804 93 A CB -0.771 18.122 19.000 -0.180 0.000 0.823 93 A HN 1.831 nan 8.150 nan 0.000 0.482 94 G N -2.043 106.603 108.800 -0.258 0.000 2.201 94 G HA2 -0.179 3.781 3.960 0.001 0.000 0.212 94 G HA3 -0.179 3.781 3.960 0.001 0.000 0.212 94 G C 0.164 174.816 174.900 -0.414 0.000 0.994 94 G CA -0.075 44.830 45.100 -0.326 0.000 0.644 94 G HN 0.684 nan 8.290 nan 0.000 0.508 95 V N 2.399 122.084 119.914 -0.382 0.000 2.521 95 V HA 0.348 4.468 4.120 0.001 0.000 0.286 95 V C 1.549 177.638 176.094 -0.009 0.000 1.034 95 V CA 0.158 62.352 62.300 -0.176 0.000 1.045 95 V CB 1.313 33.095 31.823 -0.069 0.000 0.974 95 V HN 0.334 nan 8.190 nan 0.000 0.480 96 R N 2.207 122.776 120.500 0.115 0.000 2.250 96 R HA 0.237 4.577 4.340 0.001 0.000 0.194 96 R C 0.289 176.679 176.300 0.151 0.000 0.927 96 R CA 0.394 56.557 56.100 0.105 0.000 1.052 96 R CB 0.539 30.937 30.300 0.163 0.000 1.055 96 R HN 0.684 nan 8.270 nan 0.000 0.537 97 T N 1.666 116.342 114.554 0.204 0.000 2.916 97 T HA 0.606 4.957 4.350 0.001 0.000 0.305 97 T C -0.366 174.434 174.700 0.166 0.000 1.119 97 T CA -0.654 61.570 62.100 0.206 0.000 1.008 97 T CB 2.425 71.418 68.868 0.209 0.000 1.129 97 T HN 0.163 nan 8.240 nan 0.000 0.480 98 I N -1.288 119.363 120.570 0.135 0.000 2.785 98 I HA 0.887 5.058 4.170 0.001 0.000 0.302 98 I C -1.288 174.869 176.117 0.068 0.000 1.069 98 I CA -1.322 60.044 61.300 0.110 0.000 1.045 98 I CB 2.043 40.111 38.000 0.113 0.000 1.236 98 I HN 0.306 nan 8.210 nan 0.000 0.429 99 V N 3.661 123.596 119.914 0.035 0.000 2.328 99 V HA 0.259 4.380 4.120 0.001 0.000 0.278 99 V C -0.438 175.598 176.094 -0.097 0.000 1.021 99 V CA -0.224 62.066 62.300 -0.017 0.000 0.838 99 V CB 0.988 32.808 31.823 -0.006 0.000 0.999 99 V HN 0.743 nan 8.190 nan 0.000 0.447 100 D N 4.415 124.755 120.400 -0.099 0.000 2.365 100 D HA 0.113 4.754 4.640 0.001 0.000 0.237 100 D C 0.791 176.952 176.300 -0.233 0.000 1.190 100 D CA -0.261 53.637 54.000 -0.170 0.000 0.867 100 D CB 1.829 42.589 40.800 -0.066 0.000 1.050 100 D HN 0.458 nan 8.370 nan 0.000 0.491 101 V N 1.678 121.325 119.914 -0.446 0.000 3.416 101 V HA 0.218 4.339 4.120 0.001 0.000 0.334 101 V C 0.445 176.405 176.094 -0.224 0.000 1.271 101 V CA -0.547 61.519 62.300 -0.389 0.000 1.274 101 V CB -0.869 30.593 31.823 -0.602 0.000 1.153 101 V HN 0.265 nan 8.190 nan 0.000 0.433 102 S N 2.528 118.164 115.700 -0.106 0.000 2.505 102 S HA 0.460 4.931 4.470 0.001 0.000 0.276 102 S C 0.832 175.413 174.600 -0.032 0.000 1.274 102 S CA 0.150 58.340 58.200 -0.016 0.000 1.053 102 S CB 0.947 64.158 63.200 0.019 0.000 0.919 102 S HN 0.883 nan 8.310 nan 0.000 0.490 103 T N 0.529 115.071 114.554 -0.020 0.000 2.852 103 T HA 0.401 4.752 4.350 0.001 0.000 0.281 103 T C 1.003 175.804 174.700 0.168 0.000 0.993 103 T CA -0.777 61.384 62.100 0.102 0.000 0.933 103 T CB 0.104 69.080 68.868 0.179 0.000 1.187 103 T HN 0.372 nan 8.240 nan 0.000 0.559 104 F N 2.140 122.195 119.950 0.174 0.000 2.087 104 F HA -0.200 4.328 4.527 0.001 0.000 0.299 104 F C 2.112 178.001 175.800 0.149 0.000 1.100 104 F CA 2.484 60.608 58.000 0.206 0.000 1.226 104 F CB -0.546 38.659 39.000 0.342 0.000 0.983 104 F HN 0.745 nan 8.300 nan 0.000 0.479 105 D N 0.039 120.554 120.400 0.191 0.000 2.371 105 D HA -0.148 4.493 4.640 0.001 0.000 0.221 105 D C 1.856 178.155 176.300 -0.002 0.000 0.986 105 D CA 0.938 54.985 54.000 0.078 0.000 0.899 105 D CB -0.825 40.172 40.800 0.328 0.000 0.902 105 D HN 0.498 nan 8.370 nan 0.000 0.530 106 I N 0.144 120.636 120.570 -0.130 0.000 3.793 106 I HA 0.140 4.310 4.170 0.001 0.000 0.315 106 I C 1.339 177.313 176.117 -0.237 0.000 1.275 106 I CA 0.342 61.411 61.300 -0.385 0.000 1.214 106 I CB -0.067 37.583 38.000 -0.582 0.000 1.018 106 I HN 0.144 nan 8.210 nan 0.000 0.439 107 G N 2.460 111.156 108.800 -0.173 0.000 2.176 107 G HA2 -0.325 3.635 3.960 0.001 0.000 0.252 107 G HA3 -0.325 3.635 3.960 0.001 0.000 0.252 107 G C 0.514 175.370 174.900 -0.073 0.000 1.024 107 G CA -0.027 44.999 45.100 -0.124 0.000 0.755 107 G HN 0.494 nan 8.290 nan 0.000 0.507 108 R N 0.513 120.980 120.500 -0.055 0.000 2.523 108 R HA 0.170 4.511 4.340 0.001 0.000 0.281 108 R C -0.962 175.347 176.300 0.014 0.000 0.969 108 R CA 0.686 56.780 56.100 -0.010 0.000 1.093 108 R CB 0.281 30.599 30.300 0.031 0.000 0.917 108 R HN 0.147 nan 8.270 nan 0.000 0.408 109 D N 4.946 125.353 120.400 0.011 0.000 2.438 109 D HA 0.080 4.721 4.640 0.001 0.000 0.257 109 D C 0.884 177.199 176.300 0.026 0.000 1.148 109 D CA -0.459 53.555 54.000 0.023 0.000 0.902 109 D CB 1.503 42.307 40.800 0.007 0.000 1.062 109 D HN 0.348 nan 8.370 nan 0.000 0.518 110 V N 2.767 122.705 119.914 0.040 0.000 2.469 110 V HA -0.226 3.895 4.120 0.001 0.000 0.251 110 V C 2.292 178.403 176.094 0.029 0.000 1.064 110 V CA 1.819 64.140 62.300 0.035 0.000 1.066 110 V CB -0.280 31.568 31.823 0.043 0.000 0.667 110 V HN 0.474 nan 8.190 nan 0.000 0.461 111 S N -0.110 115.608 115.700 0.031 0.000 2.368 111 S HA -0.174 4.296 4.470 0.001 0.000 0.225 111 S C 1.851 176.460 174.600 0.016 0.000 1.030 111 S CA 1.650 59.865 58.200 0.025 0.000 0.999 111 S CB -0.370 62.847 63.200 0.028 0.000 0.844 111 S HN 0.479 nan 8.310 nan 0.000 0.459 112 L N 1.518 122.748 121.223 0.011 0.000 2.017 112 L HA -0.022 4.319 4.340 0.001 0.000 0.208 112 L C 1.858 178.730 176.870 0.004 0.000 1.073 112 L CA 1.544 56.384 54.840 0.000 0.000 0.745 112 L CB -0.748 41.304 42.059 -0.013 0.000 0.894 112 L HN 0.148 nan 8.230 nan 0.000 0.432 113 L N 0.064 121.295 121.223 0.013 0.000 2.012 113 L HA -0.168 4.173 4.340 0.001 0.000 0.210 113 L C 2.720 179.600 176.870 0.018 0.000 1.073 113 L CA 2.102 56.954 54.840 0.021 0.000 0.748 113 L CB -1.660 40.413 42.059 0.023 0.000 0.891 113 L HN 0.369 nan 8.230 nan 0.000 0.431 114 A N -1.023 121.807 122.820 0.017 0.000 1.902 114 A HA -0.254 4.067 4.320 0.001 0.000 0.217 114 A C 2.355 179.945 177.584 0.009 0.000 1.181 114 A CA 1.729 53.776 52.037 0.017 0.000 0.623 114 A CB -0.589 18.422 19.000 0.019 0.000 0.818 114 A HN 0.510 nan 8.150 nan 0.000 0.443 115 E N 0.189 120.392 120.200 0.004 0.000 2.058 115 E HA -0.176 4.175 4.350 0.001 0.000 0.194 115 E C 2.008 178.599 176.600 -0.015 0.000 0.997 115 E CA 2.180 58.578 56.400 -0.004 0.000 0.801 115 E CB -0.255 29.442 29.700 -0.006 0.000 0.746 115 E HN 0.547 nan 8.360 nan 0.000 0.450 116 V N -0.926 118.977 119.914 -0.018 0.000 2.515 116 V HA -0.153 3.967 4.120 0.001 0.000 0.250 116 V C 2.354 178.431 176.094 -0.027 0.000 1.058 116 V CA 2.004 64.282 62.300 -0.036 0.000 1.064 116 V CB -0.617 31.175 31.823 -0.051 0.000 0.675 116 V HN 0.253 nan 8.190 nan 0.000 0.461 117 S N 0.593 116.289 115.700 -0.007 0.000 2.356 117 S HA -0.217 4.254 4.470 0.001 0.000 0.223 117 S C 2.252 176.840 174.600 -0.021 0.000 1.032 117 S CA 1.945 60.142 58.200 -0.004 0.000 1.005 117 S CB -0.399 62.814 63.200 0.020 0.000 0.867 117 S HN 0.703 nan 8.310 nan 0.000 0.449 118 R N 0.513 121.005 120.500 -0.013 0.000 2.066 118 R HA 0.055 4.396 4.340 0.001 0.000 0.232 118 R C 2.699 178.982 176.300 -0.027 0.000 1.131 118 R CA 1.288 57.378 56.100 -0.016 0.000 0.955 118 R CB -0.607 29.689 30.300 -0.006 0.000 0.851 118 R HN 0.507 nan 8.270 nan 0.000 0.432 119 A N 0.941 123.743 122.820 -0.030 0.000 1.930 119 A HA -0.037 4.284 4.320 0.001 0.000 0.217 119 A C 2.175 179.731 177.584 -0.046 0.000 1.175 119 A CA 1.653 53.668 52.037 -0.036 0.000 0.627 119 A CB -0.341 18.635 19.000 -0.040 0.000 0.815 119 A HN 0.391 nan 8.150 nan 0.000 0.443 120 A N -1.757 121.031 122.820 -0.053 0.000 2.195 120 A HA 0.321 4.642 4.320 0.001 0.000 0.210 120 A C 0.753 178.298 177.584 -0.064 0.000 1.165 120 A CA 1.072 53.073 52.037 -0.060 0.000 0.806 120 A CB -0.143 18.818 19.000 -0.064 0.000 0.847 120 A HN 0.540 nan 8.150 nan 0.000 0.482 121 D N -1.184 119.174 120.400 -0.070 0.000 2.718 121 D HA -0.121 4.520 4.640 0.001 0.000 0.242 121 D C -0.854 175.354 176.300 -0.154 0.000 1.123 121 D CA 0.863 54.801 54.000 -0.102 0.000 0.690 121 D CB -1.568 39.179 40.800 -0.088 0.000 1.059 121 D HN 0.218 nan 8.370 nan 0.000 0.429 122 V N 2.574 122.404 119.914 -0.140 0.000 2.638 122 V HA 0.343 4.464 4.120 0.001 0.000 0.306 122 V C 0.321 176.347 176.094 -0.114 0.000 1.052 122 V CA -0.979 61.236 62.300 -0.142 0.000 0.885 122 V CB 1.989 33.790 31.823 -0.036 0.000 0.999 122 V HN 0.236 nan 8.190 nan 0.000 0.424 123 H N 4.732 123.819 119.070 0.028 0.000 2.764 123 H HA 0.477 5.033 4.556 0.001 0.000 0.341 123 H C -0.448 174.897 175.328 0.028 0.000 1.072 123 H CA 0.292 56.354 56.048 0.024 0.000 1.444 123 H CB 1.112 30.889 29.762 0.024 0.000 1.458 123 H HN 0.434 nan 8.280 nan 0.000 0.572 124 I N 3.112 123.771 120.570 0.147 0.000 2.478 124 I HA 0.117 4.288 4.170 0.001 0.000 0.287 124 I C -0.265 175.882 176.117 0.051 0.000 1.042 124 I CA -0.816 60.535 61.300 0.085 0.000 1.067 124 I CB 2.167 40.204 38.000 0.061 0.000 1.233 124 I HN 0.134 nan 8.210 nan 0.000 0.431 125 V N 5.499 125.429 119.914 0.026 0.000 2.407 125 V HA 0.568 4.689 4.120 0.001 0.000 0.278 125 V C 0.617 176.693 176.094 -0.030 0.000 1.037 125 V CA -0.363 61.930 62.300 -0.012 0.000 0.900 125 V CB 1.411 33.218 31.823 -0.026 0.000 0.983 125 V HN 0.842 nan 8.190 nan 0.000 0.459 126 A N 4.354 127.153 122.820 -0.036 0.000 2.279 126 A HA 0.933 5.254 4.320 0.001 0.000 0.303 126 A C 0.152 177.695 177.584 -0.068 0.000 1.108 126 A CA -0.056 51.956 52.037 -0.042 0.000 0.830 126 A CB 1.106 20.093 19.000 -0.022 0.000 1.106 126 A HN 1.236 nan 8.150 nan 0.000 0.493 127 A N -0.105 122.673 122.820 -0.070 0.000 2.384 127 A HA 0.829 5.150 4.320 0.001 0.000 0.312 127 A C 0.084 177.619 177.584 -0.081 0.000 1.113 127 A CA 0.008 51.989 52.037 -0.093 0.000 0.779 127 A CB 1.402 20.341 19.000 -0.102 0.000 1.307 127 A HN 1.172 nan 8.150 nan 0.000 0.436 128 T N -1.257 113.212 114.554 -0.141 0.000 2.762 128 T HA 0.794 5.145 4.350 0.001 0.000 0.272 128 T C 0.374 174.901 174.700 -0.288 0.000 0.982 128 T CA 0.905 62.899 62.100 -0.176 0.000 1.013 128 T CB 1.052 69.773 68.868 -0.244 0.000 1.309 128 T HN 2.694 nan 8.240 nan 0.000 0.572 129 G N -0.235 108.218 108.800 -0.577 0.000 2.466 129 G HA2 0.103 4.064 3.960 0.001 0.000 0.316 129 G HA3 0.103 4.064 3.960 0.001 0.000 0.316 129 G C -1.826 173.059 174.900 -0.025 0.000 1.270 129 G CA -0.375 44.239 45.100 -0.809 0.000 0.982 129 G HN 0.897 nan 8.290 nan 0.000 0.506 130 L N -1.224 120.095 121.223 0.160 0.000 2.455 130 L HA 0.604 4.944 4.340 0.001 0.000 0.264 130 L C 0.006 177.106 176.870 0.384 0.000 0.968 130 L CA -0.726 54.354 54.840 0.399 0.000 0.827 130 L CB 2.198 44.578 42.059 0.535 0.000 1.317 130 L HN 0.850 nan 8.230 nan 0.000 0.407 131 W N 2.826 124.216 121.300 0.151 0.000 2.048 131 W HA 0.309 4.970 4.660 0.001 0.000 0.572 131 W C 0.883 177.473 176.519 0.119 0.000 1.941 131 W CA -0.153 57.225 57.345 0.055 0.000 2.181 131 W CB 0.310 29.698 29.460 -0.120 0.000 2.444 131 W HN 0.365 nan 8.180 nan 0.000 0.765 132 F N 0.949 120.585 119.950 -0.522 0.000 2.663 132 F HA 0.283 4.811 4.527 0.001 0.000 0.299 132 F C 0.213 175.807 175.800 -0.343 0.000 1.143 132 F CA -0.327 57.365 58.000 -0.512 0.000 1.387 132 F CB -0.569 38.029 39.000 -0.670 0.000 1.019 132 F HN 0.063 nan 8.300 nan 0.000 0.523 133 D N 1.867 122.218 120.400 -0.082 0.000 2.945 133 D HA 0.246 4.887 4.640 0.001 0.000 0.366 133 D C -2.820 173.580 176.300 0.166 0.000 1.352 133 D CA -2.077 51.959 54.000 0.059 0.000 0.810 133 D CB 0.553 41.407 40.800 0.090 0.000 1.170 133 D HN 0.038 nan 8.370 nan 0.000 0.461 134 P HA 0.243 nan 4.420 nan 0.000 0.271 134 P C -2.557 174.800 177.300 0.095 0.000 1.216 134 P CA -1.060 62.168 63.100 0.213 0.000 0.776 134 P CB 0.757 32.593 31.700 0.227 0.000 0.881 135 P HA 0.218 nan 4.420 nan 0.000 0.277 135 P C 1.260 178.547 177.300 -0.021 0.000 1.271 135 P CA -0.498 62.644 63.100 0.070 0.000 0.795 135 P CB 1.084 32.867 31.700 0.138 0.000 1.101 136 L N 0.030 121.231 121.223 -0.035 0.000 2.081 136 L HA -0.205 4.135 4.340 0.001 0.000 0.212 136 L C 2.461 179.276 176.870 -0.092 0.000 1.080 136 L CA 1.823 56.615 54.840 -0.081 0.000 0.754 136 L CB -0.936 41.094 42.059 -0.049 0.000 0.893 136 L HN 0.371 nan 8.230 nan 0.000 0.433 137 S N -1.007 114.663 115.700 -0.051 0.000 2.442 137 S HA -0.110 4.360 4.470 0.001 0.000 0.236 137 S C 1.860 176.387 174.600 -0.122 0.000 1.007 137 S CA 1.061 59.218 58.200 -0.073 0.000 0.965 137 S CB -0.027 63.142 63.200 -0.052 0.000 0.773 137 S HN 0.302 nan 8.310 nan 0.000 0.504 138 M N 0.974 120.501 119.600 -0.122 0.000 2.557 138 M HA 0.110 4.590 4.480 0.001 0.000 0.262 138 M C 2.103 178.266 176.300 -0.228 0.000 1.168 138 M CA 0.833 56.066 55.300 -0.113 0.000 1.194 138 M CB -0.928 31.673 32.600 0.002 0.000 1.311 138 M HN 0.337 nan 8.290 nan 0.000 0.489 139 R N 0.675 120.856 120.500 -0.531 0.000 2.241 139 R HA -0.060 4.281 4.340 0.001 0.000 0.224 139 R C 1.342 177.286 176.300 -0.594 0.000 1.101 139 R CA 1.106 56.518 56.100 -1.147 0.000 0.995 139 R CB -0.746 28.917 30.300 -1.063 0.000 0.870 139 R HN 0.328 nan 8.270 nan 0.000 0.463 140 L N 0.711 121.785 121.223 -0.249 0.000 2.607 140 L HA 0.227 4.568 4.340 0.001 0.000 0.228 140 L C 0.509 177.375 176.870 -0.008 0.000 1.123 140 L CA -0.364 54.418 54.840 -0.097 0.000 0.890 140 L CB -0.029 41.985 42.059 -0.074 0.000 1.103 140 L HN 0.040 nan 8.230 nan 0.000 0.468 141 R N 0.908 121.434 120.500 0.044 0.000 2.560 141 R HA 0.264 4.604 4.340 0.001 0.000 0.270 141 R C 0.500 176.882 176.300 0.137 0.000 1.074 141 R CA -0.048 56.100 56.100 0.080 0.000 1.140 141 R CB 1.111 31.442 30.300 0.052 0.000 1.073 141 R HN 0.086 nan 8.270 nan 0.000 0.527 142 S N -0.560 115.177 115.700 0.062 0.000 2.669 142 S HA 0.070 4.541 4.470 0.001 0.000 0.270 142 S C 1.259 175.867 174.600 0.014 0.000 1.225 142 S CA -0.739 57.489 58.200 0.047 0.000 0.991 142 S CB 1.333 64.546 63.200 0.022 0.000 0.987 142 S HN 0.399 nan 8.310 nan 0.000 0.552 143 V N 1.202 121.116 119.914 -0.001 0.000 2.392 143 V HA -0.162 3.959 4.120 0.001 0.000 0.249 143 V C 2.317 178.385 176.094 -0.044 0.000 1.059 143 V CA 2.565 64.845 62.300 -0.033 0.000 1.051 143 V CB -1.160 30.655 31.823 -0.014 0.000 0.658 143 V HN 0.966 nan 8.190 nan 0.000 0.455 144 E N 0.057 120.244 120.200 -0.022 0.000 2.077 144 E HA -0.206 4.145 4.350 0.001 0.000 0.193 144 E C 2.169 178.749 176.600 -0.034 0.000 0.989 144 E CA 1.828 58.216 56.400 -0.019 0.000 0.800 144 E CB -0.206 29.491 29.700 -0.004 0.000 0.746 144 E HN 0.738 nan 8.360 nan 0.000 0.452 145 E N 0.336 120.516 120.200 -0.033 0.000 2.031 145 E HA -0.165 4.186 4.350 0.001 0.000 0.193 145 E C 2.167 178.714 176.600 -0.088 0.000 0.994 145 E CA 0.913 57.290 56.400 -0.038 0.000 0.800 145 E CB -0.187 29.497 29.700 -0.027 0.000 0.752 145 E HN 0.202 nan 8.360 nan 0.000 0.447 146 L N 0.878 122.007 121.223 -0.156 0.000 2.081 146 L HA -0.218 4.123 4.340 0.001 0.000 0.212 146 L C 2.585 179.111 176.870 -0.573 0.000 1.080 146 L CA 1.282 55.888 54.840 -0.390 0.000 0.754 146 L CB -0.778 41.013 42.059 -0.446 0.000 0.893 146 L HN 0.219 nan 8.230 nan 0.000 0.433 147 T N -1.283 113.091 114.554 -0.300 0.000 2.720 147 T HA -0.202 4.149 4.350 0.001 0.000 0.268 147 T C 1.943 176.595 174.700 -0.080 0.000 1.037 147 T CA 1.081 63.083 62.100 -0.164 0.000 1.144 147 T CB -0.124 68.718 68.868 -0.044 0.000 0.864 147 T HN 0.284 nan 8.240 nan 0.000 0.444 148 Q N 0.103 119.878 119.800 -0.042 0.000 2.119 148 Q HA 0.022 4.363 4.340 0.001 0.000 0.201 148 Q C 2.018 178.060 176.000 0.071 0.000 0.972 148 Q CA 1.139 56.960 55.803 0.029 0.000 0.847 148 Q CB -0.644 28.120 28.738 0.043 0.000 0.903 148 Q HN 0.642 nan 8.270 nan 0.000 0.433 149 F N 0.314 120.193 119.950 -0.118 0.000 2.102 149 F HA -0.238 4.290 4.527 0.001 0.000 0.298 149 F C 1.680 177.542 175.800 0.105 0.000 1.105 149 F CA 0.978 58.945 58.000 -0.054 0.000 1.239 149 F CB -0.053 38.860 39.000 -0.145 0.000 0.991 149 F HN -0.057 nan 8.300 nan 0.000 0.474 150 F N 0.863 120.741 119.950 -0.119 0.000 2.134 150 F HA -0.166 4.361 4.527 0.001 0.000 0.299 150 F C 2.204 177.867 175.800 -0.228 0.000 1.097 150 F CA 0.933 58.788 58.000 -0.243 0.000 1.264 150 F CB -1.568 37.392 39.000 -0.066 0.000 1.001 150 F HN 0.014 nan 8.300 nan 0.000 0.479 151 L N -0.373 120.871 121.223 0.035 0.000 2.083 151 L HA -0.201 4.140 4.340 0.001 0.000 0.209 151 L C 2.726 179.515 176.870 -0.135 0.000 1.083 151 L CA 1.313 56.118 54.840 -0.058 0.000 0.752 151 L CB -0.612 41.426 42.059 -0.035 0.000 0.899 151 L HN 0.068 nan 8.230 nan 0.000 0.433 152 R N 0.717 121.190 120.500 -0.046 0.000 2.083 152 R HA -0.211 4.129 4.340 0.001 0.000 0.237 152 R C 2.026 178.284 176.300 -0.070 0.000 1.137 152 R CA 1.973 58.103 56.100 0.050 0.000 0.951 152 R CB -0.203 30.154 30.300 0.095 0.000 0.851 152 R HN 0.446 nan 8.270 nan 0.000 0.434 153 E N -0.063 120.016 120.200 -0.202 0.000 2.204 153 E HA -0.160 4.191 4.350 0.001 0.000 0.194 153 E C 2.060 178.574 176.600 -0.144 0.000 0.989 153 E CA 1.209 57.498 56.400 -0.184 0.000 0.824 153 E CB -0.018 29.505 29.700 -0.294 0.000 0.756 153 E HN 0.485 nan 8.360 nan 0.000 0.477 154 I N 0.731 121.199 120.570 -0.169 0.000 2.339 154 I HA -0.210 3.961 4.170 0.001 0.000 0.245 154 I C 2.387 178.378 176.117 -0.211 0.000 1.096 154 I CA 0.966 62.165 61.300 -0.168 0.000 1.408 154 I CB -0.008 37.897 38.000 -0.158 0.000 1.092 154 I HN 0.004 nan 8.210 nan 0.000 0.423 155 Q N -0.559 119.032 119.800 -0.350 0.000 2.123 155 Q HA -0.078 4.263 4.340 0.001 0.000 0.196 155 Q C 1.788 177.485 176.000 -0.504 0.000 0.958 155 Q CA 1.321 56.800 55.803 -0.540 0.000 0.841 155 Q CB 0.118 28.285 28.738 -0.951 0.000 0.915 155 Q HN 0.458 nan 8.270 nan 0.000 0.455 156 Y N -0.684 119.600 120.300 -0.026 0.000 2.382 156 Y HA 0.408 4.959 4.550 0.001 0.000 0.292 156 Y C 1.097 176.988 175.900 -0.015 0.000 1.151 156 Y CA 0.530 58.620 58.100 -0.016 0.000 1.198 156 Y CB 0.328 38.783 38.460 -0.009 0.000 1.195 156 Y HN 0.066 nan 8.280 nan 0.000 0.530 157 G N -0.373 108.493 108.800 0.110 0.000 2.337 157 G HA2 0.195 4.156 3.960 0.001 0.000 0.310 157 G HA3 0.195 4.156 3.960 0.001 0.000 0.310 157 G C -1.577 173.354 174.900 0.052 0.000 1.534 157 G CA -1.150 43.985 45.100 0.058 0.000 0.982 157 G HN 0.021 nan 8.290 nan 0.000 0.672 158 I N 1.985 122.577 120.570 0.037 0.000 2.496 158 I HA 0.303 4.474 4.170 0.001 0.000 0.285 158 I C 1.165 177.337 176.117 0.091 0.000 1.080 158 I CA 0.331 61.665 61.300 0.058 0.000 1.404 158 I CB 0.783 38.815 38.000 0.053 0.000 1.403 158 I HN 0.955 nan 8.210 nan 0.000 0.539 159 E N 3.529 123.806 120.200 0.128 0.000 3.333 159 E HA -0.328 4.023 4.350 0.001 0.000 0.342 159 E C 0.016 176.673 176.600 0.096 0.000 1.501 159 E CA 1.713 58.191 56.400 0.129 0.000 1.770 159 E CB -0.479 29.298 29.700 0.128 0.000 1.817 159 E HN 0.934 nan 8.360 nan 0.000 0.485 160 D N 0.099 120.547 120.400 0.079 0.000 2.463 160 D HA 0.045 4.686 4.640 0.001 0.000 0.224 160 D C 1.008 177.340 176.300 0.053 0.000 1.174 160 D CA 0.882 54.919 54.000 0.061 0.000 0.829 160 D CB -0.138 40.694 40.800 0.053 0.000 0.993 160 D HN 0.418 nan 8.370 nan 0.000 0.497 161 T N -4.281 110.307 114.554 0.056 0.000 3.067 161 T HA 0.286 4.637 4.350 0.001 0.000 0.257 161 T C 1.867 176.592 174.700 0.042 0.000 1.105 161 T CA 0.730 62.858 62.100 0.046 0.000 1.104 161 T CB -0.193 68.702 68.868 0.046 0.000 0.925 161 T HN 0.338 nan 8.240 nan 0.000 0.498 162 G N 1.425 110.254 108.800 0.048 0.000 2.184 162 G HA2 -0.228 3.733 3.960 0.001 0.000 0.264 162 G HA3 -0.228 3.733 3.960 0.001 0.000 0.264 162 G C 0.082 175.002 174.900 0.032 0.000 0.975 162 G CA 0.184 45.312 45.100 0.046 0.000 0.642 162 G HN 0.663 nan 8.290 nan 0.000 0.536 163 I N 1.630 122.217 120.570 0.028 0.000 2.379 163 I HA 0.271 4.441 4.170 0.001 0.000 0.290 163 I C 0.996 177.113 176.117 0.001 0.000 1.063 163 I CA -0.296 61.012 61.300 0.015 0.000 1.351 163 I CB 0.559 38.571 38.000 0.019 0.000 1.410 163 I HN 0.069 nan 8.210 nan 0.000 0.505 164 R N 5.249 125.739 120.500 -0.017 0.000 2.368 164 R HA 0.609 4.950 4.340 0.001 0.000 0.302 164 R C -0.111 176.153 176.300 -0.060 0.000 1.002 164 R CA -0.685 55.389 56.100 -0.044 0.000 0.929 164 R CB 1.390 31.656 30.300 -0.057 0.000 1.073 164 R HN 0.700 nan 8.270 nan 0.000 0.464 165 A N 1.472 124.244 122.820 -0.080 0.000 2.462 165 A HA 0.320 4.641 4.320 0.001 0.000 0.243 165 A C 1.058 178.577 177.584 -0.109 0.000 1.076 165 A CA 0.095 52.076 52.037 -0.093 0.000 0.773 165 A CB 0.379 19.310 19.000 -0.115 0.000 1.010 165 A HN 0.947 nan 8.150 nan 0.000 0.493 166 G N 0.566 109.299 108.800 -0.110 0.000 3.324 166 G HA2 0.457 4.417 3.960 0.001 0.000 0.251 166 G HA3 0.457 4.417 3.960 0.001 0.000 0.251 166 G C 0.015 174.814 174.900 -0.168 0.000 1.072 166 G CA 0.321 45.344 45.100 -0.129 0.000 0.787 166 G HN 0.723 nan 8.290 nan 0.000 0.537 167 I N -0.336 120.136 120.570 -0.165 0.000 2.984 167 I HA 0.494 4.665 4.170 0.001 0.000 0.303 167 I C -1.753 174.255 176.117 -0.182 0.000 1.381 167 I CA -1.272 59.913 61.300 -0.191 0.000 0.988 167 I CB 2.691 40.595 38.000 -0.160 0.000 1.307 167 I HN -0.154 nan 8.210 nan 0.000 0.460 168 I N 4.842 125.297 120.570 -0.190 0.000 2.406 168 I HA 0.395 4.565 4.170 0.001 0.000 0.290 168 I C -0.830 175.197 176.117 -0.150 0.000 0.999 168 I CA -0.600 60.565 61.300 -0.224 0.000 1.124 168 I CB 1.720 39.571 38.000 -0.250 0.000 1.289 168 I HN 0.311 nan 8.210 nan 0.000 0.441 169 K N 6.972 127.288 120.400 -0.140 0.000 2.206 169 K HA 0.745 5.066 4.320 0.001 0.000 0.264 169 K C -0.992 175.635 176.600 0.044 0.000 0.967 169 K CA -0.525 55.753 56.287 -0.016 0.000 0.844 169 K CB 1.430 33.926 32.500 -0.007 0.000 1.099 169 K HN 0.456 nan 8.250 nan 0.000 0.441 170 V N -0.180 119.830 119.914 0.160 0.000 3.167 170 V HA 1.029 5.150 4.120 0.001 0.000 0.310 170 V C -1.135 175.141 176.094 0.305 0.000 1.207 170 V CA -0.672 61.760 62.300 0.221 0.000 1.059 170 V CB 1.450 33.412 31.823 0.232 0.000 1.079 170 V HN 0.947 nan 8.190 nan 0.000 0.446 171 A N 0.844 123.835 122.820 0.285 0.000 2.605 171 A HA 0.960 5.280 4.320 0.001 0.000 0.294 171 A C -0.447 177.260 177.584 0.206 0.000 1.062 171 A CA 0.014 52.245 52.037 0.323 0.000 0.682 171 A CB 1.560 20.781 19.000 0.368 0.000 1.278 171 A HN 2.283 nan 8.150 nan 0.000 0.410 172 T N -1.658 113.015 114.554 0.199 0.000 2.896 172 T HA 0.796 5.147 4.350 0.001 0.000 0.297 172 T C -0.421 174.320 174.700 0.068 0.000 1.108 172 T CA -0.003 62.143 62.100 0.077 0.000 1.004 172 T CB 1.726 70.613 68.868 0.032 0.000 1.159 172 T HN 1.810 nan 8.240 nan 0.000 0.499 173 T N -1.368 113.142 114.554 -0.075 0.000 3.418 173 T HA 0.685 5.036 4.350 0.001 0.000 0.315 173 T C 0.688 175.331 174.700 -0.094 0.000 1.447 173 T CA 0.069 62.098 62.100 -0.119 0.000 1.641 173 T CB -0.199 68.437 68.868 -0.386 0.000 0.904 173 T HN 2.094 nan 8.240 nan 0.000 0.640 174 G N 1.858 110.628 108.800 -0.051 0.000 2.472 174 G HA2 -0.082 3.879 3.960 0.001 0.000 0.205 174 G HA3 -0.082 3.879 3.960 0.001 0.000 0.205 174 G C -0.629 174.242 174.900 -0.049 0.000 1.270 174 G CA -0.654 44.412 45.100 -0.057 0.000 0.974 174 G HN 0.760 nan 8.290 nan 0.000 0.542 175 K N 0.770 121.141 120.400 -0.048 0.000 2.524 175 K HA 0.481 4.801 4.320 0.001 0.000 0.279 175 K C 0.970 177.548 176.600 -0.036 0.000 0.993 175 K CA 0.389 56.651 56.287 -0.041 0.000 1.030 175 K CB 0.199 32.677 32.500 -0.036 0.000 0.891 175 K HN 1.450 nan 8.250 nan 0.000 0.488 176 A N 3.444 126.243 122.820 -0.035 0.000 2.498 176 A HA 0.108 4.429 4.320 0.001 0.000 0.239 176 A C 0.344 177.925 177.584 -0.006 0.000 1.068 176 A CA 0.070 52.092 52.037 -0.025 0.000 0.766 176 A CB -0.013 18.963 19.000 -0.040 0.000 1.003 176 A HN 0.881 nan 8.150 nan 0.000 0.497 177 T N 0.278 114.843 114.554 0.019 0.000 2.788 177 T HA 0.386 4.737 4.350 0.001 0.000 0.287 177 T C -1.892 172.843 174.700 0.059 0.000 1.007 177 T CA -1.147 60.980 62.100 0.045 0.000 1.005 177 T CB 0.441 69.360 68.868 0.085 0.000 1.012 177 T HN 0.336 nan 8.240 nan 0.000 0.530 178 P HA -0.034 nan 4.420 nan 0.000 0.216 178 P C 1.220 178.589 177.300 0.116 0.000 1.150 178 P CA 0.693 63.839 63.100 0.076 0.000 0.837 178 P CB -0.145 31.602 31.700 0.079 0.000 0.786 179 F N 0.622 120.586 119.950 0.022 0.000 2.146 179 F HA -0.158 4.370 4.527 0.001 0.000 0.298 179 F C 2.161 177.995 175.800 0.058 0.000 1.096 179 F CA 1.572 59.595 58.000 0.038 0.000 1.275 179 F CB -0.820 38.205 39.000 0.042 0.000 1.008 179 F HN -0.115 nan 8.300 nan 0.000 0.480 180 Q N 0.062 119.866 119.800 0.006 0.000 2.170 180 Q HA -0.216 4.125 4.340 0.001 0.000 0.203 180 Q C 2.062 177.993 176.000 -0.114 0.000 0.976 180 Q CA 1.932 57.691 55.803 -0.074 0.000 0.858 180 Q CB -0.260 28.495 28.738 0.028 0.000 0.907 180 Q HN 0.566 nan 8.270 nan 0.000 0.433 181 E N 0.400 120.553 120.200 -0.078 0.000 2.110 181 E HA -0.169 4.181 4.350 0.001 0.000 0.193 181 E C 2.002 178.548 176.600 -0.089 0.000 0.988 181 E CA 0.793 57.147 56.400 -0.077 0.000 0.804 181 E CB -0.064 29.608 29.700 -0.045 0.000 0.745 181 E HN 0.355 nan 8.360 nan 0.000 0.458 182 L N 0.557 121.696 121.223 -0.141 0.000 2.046 182 L HA -0.174 4.166 4.340 0.001 0.000 0.208 182 L C 2.515 179.283 176.870 -0.170 0.000 1.077 182 L CA 0.815 55.563 54.840 -0.154 0.000 0.747 182 L CB -0.578 41.363 42.059 -0.197 0.000 0.896 182 L HN 0.066 nan 8.230 nan 0.000 0.432 183 V N -0.019 119.714 119.914 -0.301 0.000 2.295 183 V HA -0.291 3.830 4.120 0.001 0.000 0.246 183 V C 2.469 178.651 176.094 0.147 0.000 1.049 183 V CA 1.554 63.809 62.300 -0.074 0.000 1.024 183 V CB -0.404 31.354 31.823 -0.109 0.000 0.648 183 V HN 0.252 nan 8.190 nan 0.000 0.447 184 L N -0.356 120.910 121.223 0.072 0.000 2.046 184 L HA -0.168 4.172 4.340 0.001 0.000 0.208 184 L C 2.407 179.425 176.870 0.246 0.000 1.077 184 L CA 1.911 56.850 54.840 0.165 0.000 0.747 184 L CB -0.708 41.283 42.059 -0.114 0.000 0.896 184 L HN 0.262 nan 8.230 nan 0.000 0.432 185 K N -1.017 119.456 120.400 0.121 0.000 2.057 185 K HA -0.089 4.232 4.320 0.001 0.000 0.206 185 K C 2.161 178.852 176.600 0.152 0.000 1.050 185 K CA 1.242 57.605 56.287 0.128 0.000 0.935 185 K CB -0.331 32.202 32.500 0.055 0.000 0.715 185 K HN 0.316 nan 8.250 nan 0.000 0.439 186 A N 1.541 124.448 122.820 0.145 0.000 1.933 186 A HA -0.104 4.217 4.320 0.001 0.000 0.218 186 A C 2.364 180.152 177.584 0.340 0.000 1.175 186 A CA 1.768 53.901 52.037 0.161 0.000 0.628 186 A CB -0.645 18.361 19.000 0.010 0.000 0.814 186 A HN 0.327 nan 8.150 nan 0.000 0.444 187 A N -0.030 123.046 122.820 0.428 0.000 1.902 187 A HA 0.136 4.457 4.320 0.001 0.000 0.217 187 A C 2.512 180.193 177.584 0.163 0.000 1.181 187 A CA 2.147 54.364 52.037 0.301 0.000 0.623 187 A CB -1.032 18.103 19.000 0.225 0.000 0.818 187 A HN 1.053 nan 8.150 nan 0.000 0.443 188 A N -0.214 122.728 122.820 0.203 0.000 1.902 188 A HA -0.167 4.154 4.320 0.001 0.000 0.217 188 A C 2.243 179.875 177.584 0.080 0.000 1.181 188 A CA 1.581 53.691 52.037 0.121 0.000 0.623 188 A CB -0.459 18.681 19.000 0.233 0.000 0.818 188 A HN 0.560 nan 8.150 nan 0.000 0.443 189 R N -0.539 120.023 120.500 0.103 0.000 2.081 189 R HA -0.054 4.286 4.340 0.001 0.000 0.235 189 R C 2.454 178.786 176.300 0.054 0.000 1.131 189 R CA 1.212 57.353 56.100 0.068 0.000 0.960 189 R CB -0.445 29.894 30.300 0.065 0.000 0.856 189 R HN 0.509 nan 8.270 nan 0.000 0.436 190 A N 0.236 123.110 122.820 0.090 0.000 1.930 190 A HA -0.159 4.162 4.320 0.001 0.000 0.217 190 A C 2.170 179.753 177.584 -0.001 0.000 1.175 190 A CA 1.716 53.793 52.037 0.066 0.000 0.627 190 A CB -0.537 18.557 19.000 0.156 0.000 0.815 190 A HN 0.304 nan 8.150 nan 0.000 0.443 191 S N -0.503 115.186 115.700 -0.018 0.000 2.368 191 S HA -0.075 4.396 4.470 0.001 0.000 0.224 191 S C 1.937 176.499 174.600 -0.064 0.000 1.029 191 S CA 1.306 59.462 58.200 -0.074 0.000 0.988 191 S CB -0.472 62.658 63.200 -0.116 0.000 0.838 191 S HN 0.491 nan 8.310 nan 0.000 0.462 192 L N 0.881 122.083 121.223 -0.035 0.000 2.083 192 L HA -0.068 4.273 4.340 0.001 0.000 0.209 192 L C 2.877 179.728 176.870 -0.031 0.000 1.083 192 L CA 1.317 56.139 54.840 -0.029 0.000 0.752 192 L CB -0.562 41.493 42.059 -0.006 0.000 0.899 192 L HN 0.439 nan 8.230 nan 0.000 0.433 193 A N -0.664 122.140 122.820 -0.026 0.000 1.970 193 A HA -0.132 4.189 4.320 0.001 0.000 0.216 193 A C 2.283 179.836 177.584 -0.051 0.000 1.170 193 A CA 1.809 53.827 52.037 -0.031 0.000 0.645 193 A CB -0.511 18.474 19.000 -0.023 0.000 0.816 193 A HN 0.499 nan 8.150 nan 0.000 0.447 194 T N -6.053 108.461 114.554 -0.066 0.000 2.990 194 T HA 0.427 4.777 4.350 0.001 0.000 0.249 194 T C 1.501 176.144 174.700 -0.095 0.000 1.039 194 T CA 1.130 63.178 62.100 -0.087 0.000 1.036 194 T CB 0.424 69.229 68.868 -0.106 0.000 0.994 194 T HN 1.603 nan 8.240 nan 0.000 0.489 195 G N 1.454 110.196 108.800 -0.097 0.000 2.217 195 G HA2 -0.252 3.709 3.960 0.001 0.000 0.246 195 G HA3 -0.252 3.709 3.960 0.001 0.000 0.246 195 G C 0.269 175.078 174.900 -0.152 0.000 0.990 195 G CA 0.237 45.271 45.100 -0.110 0.000 0.627 195 G HN 1.557 nan 8.290 nan 0.000 0.522 196 V N -0.268 119.548 119.914 -0.163 0.000 2.715 196 V HA 0.693 4.814 4.120 0.001 0.000 0.299 196 V C -1.090 174.841 176.094 -0.271 0.000 1.054 196 V CA -1.346 60.823 62.300 -0.218 0.000 1.077 196 V CB 1.127 32.832 31.823 -0.197 0.000 0.972 196 V HN 0.242 nan 8.190 nan 0.000 0.484 197 P HA 0.376 nan 4.420 nan 0.000 0.276 197 P C -0.782 176.315 177.300 -0.338 0.000 1.261 197 P CA -0.394 62.406 63.100 -0.500 0.000 0.800 197 P CB 1.180 32.144 31.700 -1.226 0.000 1.066 198 V N -0.171 119.613 119.914 -0.216 0.000 2.555 198 V HA 0.558 4.679 4.120 0.001 0.000 0.302 198 V C 0.384 176.523 176.094 0.075 0.000 1.038 198 V CA -0.242 61.980 62.300 -0.131 0.000 0.887 198 V CB 1.631 33.272 31.823 -0.304 0.000 0.991 198 V HN 0.669 nan 8.190 nan 0.000 0.434 199 T N 2.551 117.167 114.554 0.103 0.000 2.900 199 T HA 0.752 5.102 4.350 0.001 0.000 0.295 199 T C -0.451 174.340 174.700 0.153 0.000 1.044 199 T CA -0.053 62.153 62.100 0.177 0.000 0.995 199 T CB 1.712 70.702 68.868 0.203 0.000 1.072 199 T HN 1.073 nan 8.240 nan 0.000 0.473 200 T N 0.756 115.401 114.554 0.151 0.000 2.901 200 T HA 0.576 4.927 4.350 0.001 0.000 0.293 200 T C -0.959 173.807 174.700 0.111 0.000 1.084 200 T CA -0.759 61.456 62.100 0.190 0.000 1.008 200 T CB 1.401 70.401 68.868 0.220 0.000 1.170 200 T HN 0.777 nan 8.240 nan 0.000 0.509 201 H N 0.564 119.715 119.070 0.134 0.000 2.467 201 H HA 0.655 5.212 4.556 0.001 0.000 0.326 201 H C -0.062 175.365 175.328 0.165 0.000 1.094 201 H CA -0.169 55.966 56.048 0.146 0.000 1.253 201 H CB 1.168 31.247 29.762 0.529 0.000 1.439 201 H HN 1.038 nan 8.280 nan 0.000 0.479 202 T N 1.711 116.225 114.554 -0.066 0.000 2.901 202 T HA 0.651 5.002 4.350 0.001 0.000 0.293 202 T C -0.494 174.200 174.700 -0.010 0.000 1.084 202 T CA -0.837 61.296 62.100 0.055 0.000 1.008 202 T CB 1.514 70.402 68.868 0.034 0.000 1.170 202 T HN 0.705 nan 8.240 nan 0.000 0.509 203 A N 0.958 123.802 122.820 0.040 0.000 2.880 203 A HA 0.728 5.049 4.320 0.001 0.000 0.328 203 A C 1.608 179.169 177.584 -0.039 0.000 1.440 203 A CA -0.202 51.840 52.037 0.008 0.000 1.068 203 A CB -0.822 18.174 19.000 -0.007 0.000 1.163 203 A HN 1.327 nan 8.150 nan 0.000 0.510 204 A N 1.707 124.511 122.820 -0.026 0.000 1.917 204 A HA -0.170 4.151 4.320 0.001 0.000 0.219 204 A C 2.473 179.942 177.584 -0.191 0.000 1.182 204 A CA 2.412 54.425 52.037 -0.040 0.000 0.633 204 A CB -0.810 18.222 19.000 0.053 0.000 0.819 204 A HN 1.545 nan 8.150 nan 0.000 0.448 205 S N -0.735 114.892 115.700 -0.121 0.000 2.469 205 S HA -0.176 4.295 4.470 0.001 0.000 0.238 205 S C 1.502 175.984 174.600 -0.197 0.000 0.998 205 S CA 1.363 59.476 58.200 -0.145 0.000 0.957 205 S CB -0.399 62.758 63.200 -0.072 0.000 0.764 205 S HN 0.711 nan 8.310 nan 0.000 0.514 206 Q N 0.300 119.986 119.800 -0.189 0.000 2.280 206 Q HA 0.320 4.661 4.340 0.001 0.000 0.201 206 Q C -0.248 175.603 176.000 -0.248 0.000 0.890 206 Q CA -0.307 55.390 55.803 -0.176 0.000 0.947 206 Q CB 0.116 28.788 28.738 -0.109 0.000 1.081 206 Q HN 0.501 nan 8.270 nan 0.000 0.502 207 R N 0.522 120.742 120.500 -0.467 0.000 3.641 207 R HA -0.192 4.149 4.340 0.001 0.000 0.286 207 R C -0.254 175.942 176.300 -0.175 0.000 1.153 207 R CA 0.509 56.201 56.100 -0.679 0.000 0.775 207 R CB -1.532 28.455 30.300 -0.522 0.000 1.215 207 R HN 0.310 nan 8.270 nan 0.000 0.474 208 D N -0.188 120.159 120.400 -0.088 0.000 2.190 208 D HA -0.124 4.517 4.640 0.001 0.000 0.200 208 D C 2.022 178.341 176.300 0.033 0.000 0.992 208 D CA 1.726 55.718 54.000 -0.013 0.000 0.854 208 D CB -0.328 40.476 40.800 0.008 0.000 0.936 208 D HN 0.619 nan 8.370 nan 0.000 0.462 209 G N 0.631 109.520 108.800 0.150 0.000 2.475 209 G HA2 -0.299 3.661 3.960 0.001 0.000 0.220 209 G HA3 -0.299 3.661 3.960 0.001 0.000 0.220 209 G C 1.510 176.381 174.900 -0.048 0.000 1.125 209 G CA 0.703 45.833 45.100 0.051 0.000 0.755 209 G HN 0.323 nan 8.290 nan 0.000 0.565 210 E N -0.415 119.826 120.200 0.069 0.000 2.047 210 E HA -0.146 4.205 4.350 0.001 0.000 0.191 210 E C 2.440 179.005 176.600 -0.058 0.000 0.987 210 E CA 1.020 57.419 56.400 -0.002 0.000 0.799 210 E CB -0.174 29.566 29.700 0.066 0.000 0.752 210 E HN 0.580 nan 8.360 nan 0.000 0.449 211 Q N 0.819 120.584 119.800 -0.058 0.000 2.084 211 Q HA -0.232 4.108 4.340 0.001 0.000 0.202 211 Q C 2.133 178.027 176.000 -0.176 0.000 0.978 211 Q CA 1.366 57.114 55.803 -0.092 0.000 0.844 211 Q CB 0.116 28.806 28.738 -0.080 0.000 0.898 211 Q HN 0.311 nan 8.270 nan 0.000 0.426 212 Q N -0.126 119.545 119.800 -0.215 0.000 2.061 212 Q HA -0.199 4.142 4.340 0.001 0.000 0.204 212 Q C 2.144 177.834 176.000 -0.517 0.000 0.984 212 Q CA 1.528 57.068 55.803 -0.440 0.000 0.846 212 Q CB -0.289 28.287 28.738 -0.271 0.000 0.902 212 Q HN 0.486 nan 8.270 nan 0.000 0.421 213 A N 1.238 123.916 122.820 -0.236 0.000 1.908 213 A HA -0.186 4.134 4.320 0.001 0.000 0.218 213 A C 2.333 179.950 177.584 0.055 0.000 1.181 213 A CA 1.783 53.785 52.037 -0.059 0.000 0.627 213 A CB -0.890 17.911 19.000 -0.332 0.000 0.818 213 A HN 0.424 nan 8.150 nan 0.000 0.445 214 A N -0.183 122.614 122.820 -0.039 0.000 1.902 214 A HA -0.083 4.238 4.320 0.001 0.000 0.217 214 A C 2.125 179.701 177.584 -0.014 0.000 1.181 214 A CA 1.561 53.597 52.037 -0.002 0.000 0.623 214 A CB -0.601 18.384 19.000 -0.025 0.000 0.818 214 A HN 0.511 nan 8.150 nan 0.000 0.443 215 I N -1.639 118.856 120.570 -0.124 0.000 2.252 215 I HA -0.243 3.927 4.170 0.001 0.000 0.245 215 I C 2.309 178.424 176.117 -0.004 0.000 1.102 215 I CA 1.348 62.571 61.300 -0.128 0.000 1.385 215 I CB -0.428 37.418 38.000 -0.257 0.000 1.064 215 I HN 0.365 nan 8.210 nan 0.000 0.414 216 F N 1.055 121.048 119.950 0.072 0.000 2.134 216 F HA -0.214 4.314 4.527 0.001 0.000 0.299 216 F C 2.550 178.403 175.800 0.089 0.000 1.097 216 F CA 1.060 59.115 58.000 0.093 0.000 1.264 216 F CB -0.332 38.757 39.000 0.149 0.000 1.001 216 F HN 0.063 nan 8.300 nan 0.000 0.479 217 E N 0.066 120.443 120.200 0.294 0.000 2.150 217 E HA -0.178 4.172 4.350 0.001 0.000 0.193 217 E C 2.206 178.879 176.600 0.121 0.000 0.985 217 E CA 1.368 57.882 56.400 0.189 0.000 0.814 217 E CB -0.208 29.596 29.700 0.173 0.000 0.752 217 E HN 0.353 nan 8.360 nan 0.000 0.466 218 S N 0.777 116.538 115.700 0.102 0.000 2.474 218 S HA -0.101 4.370 4.470 0.001 0.000 0.235 218 S C 1.564 176.208 174.600 0.072 0.000 0.997 218 S CA 0.747 58.988 58.200 0.068 0.000 0.949 218 S CB 0.066 63.292 63.200 0.044 0.000 0.766 218 S HN 0.110 nan 8.310 nan 0.000 0.517 219 E N 0.661 120.922 120.200 0.103 0.000 2.474 219 E HA 0.230 4.581 4.350 0.001 0.000 0.195 219 E C 1.264 177.912 176.600 0.081 0.000 1.039 219 E CA 0.496 56.953 56.400 0.095 0.000 0.881 219 E CB 0.198 29.977 29.700 0.131 0.000 0.970 219 E HN 0.701 nan 8.360 nan 0.000 0.486 220 G N 1.894 110.743 108.800 0.081 0.000 2.136 220 G HA2 -0.280 3.681 3.960 0.001 0.000 0.242 220 G HA3 -0.280 3.681 3.960 0.001 0.000 0.242 220 G C 0.051 174.978 174.900 0.046 0.000 0.989 220 G CA 0.433 45.566 45.100 0.055 0.000 0.682 220 G HN 0.244 nan 8.290 nan 0.000 0.522 221 L N 1.473 122.739 121.223 0.071 0.000 2.371 221 L HA 0.738 5.079 4.340 0.001 0.000 0.272 221 L C 0.885 177.754 176.870 -0.001 0.000 1.124 221 L CA 0.224 55.079 54.840 0.025 0.000 0.816 221 L CB 1.495 43.568 42.059 0.023 0.000 1.129 221 L HN 0.301 nan 8.230 nan 0.000 0.448 222 S N 4.985 120.654 115.700 -0.052 0.000 2.548 222 S HA 0.360 4.830 4.470 0.001 0.000 0.277 222 S C -1.672 172.823 174.600 -0.175 0.000 1.315 222 S CA -1.067 57.077 58.200 -0.094 0.000 1.050 222 S CB 0.887 64.035 63.200 -0.087 0.000 0.918 222 S HN 0.625 nan 8.310 nan 0.000 0.497 223 P HA -0.100 nan 4.420 nan 0.000 0.219 223 P C 1.404 178.438 177.300 -0.443 0.000 1.146 223 P CA 1.129 63.752 63.100 -0.795 0.000 0.808 223 P CB -0.117 30.751 31.700 -1.387 0.000 0.779 224 S N -1.508 114.048 115.700 -0.240 0.000 2.547 224 S HA -0.043 4.428 4.470 0.001 0.000 0.235 224 S C 1.637 176.246 174.600 0.016 0.000 0.980 224 S CA 0.576 58.720 58.200 -0.093 0.000 0.941 224 S CB -0.637 62.524 63.200 -0.065 0.000 0.763 224 S HN 0.027 nan 8.310 nan 0.000 0.532 225 R N 0.736 121.219 120.500 -0.028 0.000 2.359 225 R HA 0.396 4.737 4.340 0.001 0.000 0.231 225 R C -0.605 175.750 176.300 0.091 0.000 0.913 225 R CA 0.065 56.158 56.100 -0.013 0.000 1.075 225 R CB 0.360 30.590 30.300 -0.116 0.000 1.087 225 R HN 0.345 nan 8.270 nan 0.000 0.515 226 V N 0.364 120.378 119.914 0.167 0.000 2.656 226 V HA 0.255 4.376 4.120 0.001 0.000 0.307 226 V C -0.449 175.788 176.094 0.239 0.000 1.051 226 V CA -1.210 61.214 62.300 0.207 0.000 0.893 226 V CB 2.550 34.471 31.823 0.163 0.000 0.999 226 V HN 0.109 nan 8.190 nan 0.000 0.426 227 C N 6.842 126.247 119.300 0.174 0.000 2.281 227 C HA 0.598 5.059 4.460 0.001 0.000 0.323 227 C C -0.213 174.790 174.990 0.022 0.000 1.270 227 C CA -0.606 58.373 59.018 -0.064 0.000 1.559 227 C CB -0.425 27.114 27.740 -0.335 0.000 2.239 227 C HN 0.704 nan 8.230 nan 0.000 0.488 228 I N 6.759 127.320 120.570 -0.016 0.000 2.281 228 I HA 0.291 4.461 4.170 0.001 0.000 0.293 228 I C 1.207 177.268 176.117 -0.094 0.000 1.085 228 I CA 0.509 61.790 61.300 -0.032 0.000 1.257 228 I CB 0.058 38.001 38.000 -0.095 0.000 1.430 228 I HN 0.900 nan 8.210 nan 0.000 0.489 229 G N 4.520 113.241 108.800 -0.130 0.000 2.580 229 G HA2 0.277 4.237 3.960 0.001 0.000 0.278 229 G HA3 0.277 4.237 3.960 0.001 0.000 0.278 229 G C 0.297 174.972 174.900 -0.374 0.000 1.212 229 G CA -0.157 44.761 45.100 -0.304 0.000 0.939 229 G HN 0.769 nan 8.290 nan 0.000 0.513 230 H N -1.010 117.823 119.070 -0.396 0.000 2.861 230 H HA -0.158 4.398 4.556 0.001 0.000 0.289 230 H C 1.960 177.136 175.328 -0.254 0.000 1.176 230 H CA 0.476 56.190 56.048 -0.558 0.000 1.146 230 H CB -1.785 27.605 29.762 -0.619 0.000 1.330 230 H HN 0.346 nan 8.280 nan 0.000 0.379 231 S N 0.097 115.758 115.700 -0.066 0.000 2.474 231 S HA -0.096 4.375 4.470 0.001 0.000 0.235 231 S C 1.685 176.306 174.600 0.036 0.000 0.997 231 S CA 0.985 59.191 58.200 0.010 0.000 0.949 231 S CB 0.069 63.251 63.200 -0.031 0.000 0.766 231 S HN 0.706 nan 8.310 nan 0.000 0.517 232 D N 0.681 121.090 120.400 0.014 0.000 2.349 232 D HA -0.042 4.599 4.640 0.001 0.000 0.224 232 D C 0.234 176.575 176.300 0.068 0.000 1.029 232 D CA 0.302 54.332 54.000 0.051 0.000 0.879 232 D CB -0.219 40.621 40.800 0.066 0.000 0.906 232 D HN 0.140 nan 8.370 nan 0.000 0.528 233 D N 0.261 120.698 120.400 0.062 0.000 2.363 233 D HA -0.019 4.622 4.640 0.001 0.000 0.220 233 D C 0.471 176.801 176.300 0.051 0.000 0.994 233 D CA 0.671 54.713 54.000 0.071 0.000 0.890 233 D CB 0.332 41.173 40.800 0.069 0.000 0.906 233 D HN 0.186 nan 8.370 nan 0.000 0.530 234 T N -0.833 113.757 114.554 0.059 0.000 2.912 234 T HA 0.195 4.546 4.350 0.001 0.000 0.288 234 T C -0.148 174.589 174.700 0.061 0.000 1.030 234 T CA -0.773 61.356 62.100 0.049 0.000 1.020 234 T CB 1.510 70.408 68.868 0.049 0.000 1.056 234 T HN -0.293 nan 8.240 nan 0.000 0.480 235 D N 1.510 121.937 120.400 0.045 0.000 2.369 235 D HA 0.109 4.750 4.640 0.001 0.000 0.211 235 D C -0.167 176.167 176.300 0.057 0.000 1.077 235 D CA 0.004 54.032 54.000 0.047 0.000 0.842 235 D CB 0.360 41.179 40.800 0.032 0.000 0.947 235 D HN 0.510 nan 8.370 nan 0.000 0.509 236 D N 1.557 122.001 120.400 0.073 0.000 2.470 236 D HA -0.023 4.618 4.640 0.001 0.000 0.226 236 D C 1.297 177.678 176.300 0.135 0.000 1.196 236 D CA -0.312 53.743 54.000 0.093 0.000 0.979 236 D CB 0.473 41.318 40.800 0.075 0.000 1.059 236 D HN -0.056 nan 8.370 nan 0.000 0.515 237 L N 2.922 124.197 121.223 0.087 0.000 2.191 237 L HA -0.139 4.201 4.340 0.001 0.000 0.212 237 L C 2.005 178.910 176.870 0.058 0.000 1.103 237 L CA 1.453 56.333 54.840 0.066 0.000 0.769 237 L CB -0.337 41.756 42.059 0.056 0.000 0.908 237 L HN 0.222 nan 8.230 nan 0.000 0.438 238 S N -1.343 114.402 115.700 0.075 0.000 2.368 238 S HA -0.272 4.199 4.470 0.001 0.000 0.225 238 S C 1.839 176.483 174.600 0.074 0.000 1.030 238 S CA 1.621 59.861 58.200 0.067 0.000 0.999 238 S CB -0.735 62.507 63.200 0.069 0.000 0.844 238 S HN 0.699 nan 8.310 nan 0.000 0.459 239 Y N 2.317 122.605 120.300 -0.020 0.000 2.145 239 Y HA -0.129 4.422 4.550 0.001 0.000 0.286 239 Y C 1.891 177.758 175.900 -0.055 0.000 1.145 239 Y CA 1.375 59.453 58.100 -0.036 0.000 1.148 239 Y CB -0.373 38.065 38.460 -0.035 0.000 0.981 239 Y HN 0.118 nan 8.280 nan 0.000 0.507 240 L N 0.068 121.122 121.223 -0.282 0.000 2.027 240 L HA -0.190 4.150 4.340 0.001 0.000 0.206 240 L C 2.720 179.400 176.870 -0.317 0.000 1.074 240 L CA 1.945 56.554 54.840 -0.385 0.000 0.745 240 L CB -1.229 40.729 42.059 -0.168 0.000 0.898 240 L HN 0.420 nan 8.230 nan 0.000 0.433 241 T N -2.477 111.960 114.554 -0.194 0.000 2.867 241 T HA -0.080 4.270 4.350 0.001 0.000 0.268 241 T C 1.915 176.458 174.700 -0.261 0.000 1.057 241 T CA 0.883 62.837 62.100 -0.243 0.000 1.136 241 T CB -0.291 68.576 68.868 -0.001 0.000 0.874 241 T HN 0.302 nan 8.240 nan 0.000 0.466 242 A N 1.368 124.093 122.820 -0.158 0.000 1.969 242 A HA 0.238 4.559 4.320 0.001 0.000 0.218 242 A C 2.396 179.902 177.584 -0.131 0.000 1.169 242 A CA 1.000 52.976 52.037 -0.101 0.000 0.635 242 A CB -0.776 18.200 19.000 -0.040 0.000 0.810 242 A HN 0.537 nan 8.150 nan 0.000 0.445 243 L N -0.958 120.129 121.223 -0.226 0.000 2.072 243 L HA -0.127 4.214 4.340 0.001 0.000 0.205 243 L C 3.094 179.910 176.870 -0.090 0.000 1.079 243 L CA 0.920 55.665 54.840 -0.158 0.000 0.752 243 L CB -0.487 41.361 42.059 -0.352 0.000 0.906 243 L HN 0.422 nan 8.230 nan 0.000 0.436 244 A N 0.132 122.754 122.820 -0.331 0.000 1.902 244 A HA -0.201 4.120 4.320 0.001 0.000 0.217 244 A C 2.498 179.821 177.584 -0.434 0.000 1.181 244 A CA 1.727 53.456 52.037 -0.512 0.000 0.623 244 A CB -0.707 17.647 19.000 -1.077 0.000 0.818 244 A HN 0.405 nan 8.150 nan 0.000 0.443 245 A N -0.311 122.284 122.820 -0.376 0.000 2.019 245 A HA -0.152 4.169 4.320 0.001 0.000 0.219 245 A C 2.142 179.742 177.584 0.026 0.000 1.164 245 A CA 1.501 53.528 52.037 -0.017 0.000 0.644 245 A CB -0.390 18.639 19.000 0.048 0.000 0.805 245 A HN 0.562 nan 8.150 nan 0.000 0.449 246 R N -1.722 118.788 120.500 0.016 0.000 2.299 246 R HA 0.212 4.553 4.340 0.001 0.000 0.197 246 R C 1.271 177.520 176.300 -0.085 0.000 0.971 246 R CA 0.577 56.700 56.100 0.039 0.000 1.030 246 R CB 0.013 30.422 30.300 0.180 0.000 0.932 246 R HN 0.676 nan 8.270 nan 0.000 0.477 247 G N -0.634 108.109 108.800 -0.095 0.000 2.179 247 G HA2 -0.271 3.689 3.960 0.001 0.000 0.220 247 G HA3 -0.271 3.689 3.960 0.001 0.000 0.220 247 G C -0.176 174.559 174.900 -0.275 0.000 0.990 247 G CA -0.564 44.430 45.100 -0.178 0.000 0.646 247 G HN 0.223 nan 8.290 nan 0.000 0.517 248 Y N -0.235 120.019 120.300 -0.076 0.000 2.314 248 Y HA 0.600 5.151 4.550 0.001 0.000 0.334 248 Y C 1.154 176.979 175.900 -0.125 0.000 1.266 248 Y CA -0.506 57.546 58.100 -0.080 0.000 1.391 248 Y CB 0.588 38.994 38.460 -0.089 0.000 1.306 248 Y HN 0.118 nan 8.280 nan 0.000 0.558 249 L N 3.241 124.480 121.223 0.025 0.000 2.334 249 L HA 0.269 4.610 4.340 0.001 0.000 0.277 249 L C -0.700 176.098 176.870 -0.119 0.000 1.075 249 L CA -0.110 54.654 54.840 -0.128 0.000 0.804 249 L CB 0.568 42.416 42.059 -0.351 0.000 1.174 249 L HN 0.365 nan 8.230 nan 0.000 0.438 250 I N 2.425 122.909 120.570 -0.144 0.000 2.330 250 I HA 0.325 4.496 4.170 0.001 0.000 0.289 250 I C 0.648 176.681 176.117 -0.141 0.000 1.001 250 I CA -0.355 60.862 61.300 -0.138 0.000 1.193 250 I CB 1.035 38.955 38.000 -0.133 0.000 1.345 250 I HN 0.609 nan 8.210 nan 0.000 0.461 251 G N 7.375 116.088 108.800 -0.144 0.000 2.350 251 G HA2 0.528 4.489 3.960 0.001 0.000 0.306 251 G HA3 0.528 4.489 3.960 0.001 0.000 0.306 251 G C -0.191 174.645 174.900 -0.107 0.000 1.094 251 G CA -0.410 44.608 45.100 -0.137 0.000 0.953 251 G HN 0.551 nan 8.290 nan 0.000 0.420 252 L N 3.398 124.583 121.223 -0.062 0.000 2.407 252 L HA 0.258 4.599 4.340 0.001 0.000 0.261 252 L C 0.062 176.933 176.870 0.002 0.000 1.108 252 L CA -0.597 54.232 54.840 -0.019 0.000 0.995 252 L CB 0.801 42.871 42.059 0.018 0.000 1.349 252 L HN 0.686 nan 8.230 nan 0.000 0.423 253 D N -2.437 117.931 120.400 -0.053 0.000 2.440 253 D HA -0.017 4.623 4.640 0.001 0.000 0.216 253 D C 0.932 177.242 176.300 0.016 0.000 1.150 253 D CA 0.031 54.014 54.000 -0.029 0.000 0.832 253 D CB 0.074 40.793 40.800 -0.135 0.000 0.992 253 D HN 0.415 nan 8.370 nan 0.000 0.502 254 H N 0.345 119.343 119.070 -0.120 0.000 2.512 254 H HA 0.205 4.762 4.556 0.001 0.000 0.276 254 H C 1.172 176.485 175.328 -0.024 0.000 1.126 254 H CA -0.523 55.322 56.048 -0.338 0.000 1.060 254 H CB 0.713 30.211 29.762 -0.440 0.000 1.646 254 H HN -0.029 nan 8.280 nan 0.000 0.571 255 I N 1.853 122.554 120.570 0.219 0.000 2.113 255 I HA -0.217 3.954 4.170 0.001 0.000 0.242 255 I C -0.680 175.591 176.117 0.256 0.000 1.057 255 I CA 1.397 62.866 61.300 0.281 0.000 1.314 255 I CB -2.221 35.987 38.000 0.346 0.000 1.022 255 I HN 0.299 nan 8.210 nan 0.000 0.408 256 P HA -0.051 nan 4.420 nan 0.000 0.249 256 P C 0.215 177.485 177.300 -0.049 0.000 1.229 256 P CA 0.560 63.404 63.100 -0.428 0.000 0.788 256 P CB -0.508 30.544 31.700 -1.080 0.000 1.072 257 H N 0.487 119.544 119.070 -0.022 0.000 3.015 257 H HA 0.353 4.909 4.556 0.001 0.000 0.268 257 H C 0.037 175.361 175.328 -0.007 0.000 1.113 257 H CA 0.181 56.215 56.048 -0.022 0.000 1.479 257 H CB 0.451 30.110 29.762 -0.172 0.000 1.493 257 H HN 0.034 nan 8.280 nan 0.000 0.486 258 S N 1.999 117.739 115.700 0.067 0.000 2.543 258 S HA 0.419 4.890 4.470 0.001 0.000 0.273 258 S C -0.095 174.527 174.600 0.037 0.000 1.152 258 S CA -0.354 57.884 58.200 0.063 0.000 0.910 258 S CB 1.212 64.465 63.200 0.089 0.000 1.105 258 S HN 0.687 nan 8.310 nan 0.000 0.465 259 A N 4.602 127.443 122.820 0.035 0.000 2.460 259 A HA 0.450 4.771 4.320 0.001 0.000 0.258 259 A C 0.402 178.005 177.584 0.031 0.000 1.300 259 A CA -0.275 51.779 52.037 0.030 0.000 0.913 259 A CB -0.485 18.532 19.000 0.029 0.000 1.031 259 A HN 0.783 nan 8.150 nan 0.000 0.512 260 I N 0.429 121.022 120.570 0.037 0.000 2.668 260 I HA 0.233 4.404 4.170 0.001 0.000 0.285 260 I C 1.514 177.651 176.117 0.034 0.000 1.168 260 I CA 1.542 62.862 61.300 0.034 0.000 1.424 260 I CB 0.515 38.537 38.000 0.037 0.000 1.377 260 I HN 0.492 nan 8.210 nan 0.000 0.560 261 G N 5.377 114.194 108.800 0.028 0.000 2.194 261 G HA2 -0.225 3.736 3.960 0.001 0.000 0.236 261 G HA3 -0.225 3.736 3.960 0.001 0.000 0.236 261 G C 0.350 175.263 174.900 0.023 0.000 0.987 261 G CA -0.246 44.870 45.100 0.026 0.000 0.635 261 G HN 0.537 nan 8.290 nan 0.000 0.520 262 L N 0.267 121.504 121.223 0.023 0.000 3.289 262 L HA 0.338 4.679 4.340 0.001 0.000 0.291 262 L C 1.632 178.513 176.870 0.019 0.000 1.279 262 L CA -0.206 54.646 54.840 0.020 0.000 1.025 262 L CB 0.609 42.681 42.059 0.022 0.000 1.413 262 L HN 0.018 nan 8.230 nan 0.000 0.593 263 E N 1.066 121.276 120.200 0.018 0.000 2.187 263 E HA -0.263 4.088 4.350 0.001 0.000 0.199 263 E C 1.313 177.921 176.600 0.013 0.000 1.004 263 E CA 2.040 58.449 56.400 0.016 0.000 0.813 263 E CB -0.248 29.460 29.700 0.014 0.000 0.736 263 E HN 0.654 nan 8.360 nan 0.000 0.468 264 D N -0.197 120.210 120.400 0.011 0.000 2.310 264 D HA -0.135 4.505 4.640 0.001 0.000 0.212 264 D C 0.500 176.803 176.300 0.006 0.000 0.965 264 D CA 0.636 54.640 54.000 0.007 0.000 0.879 264 D CB -0.178 40.626 40.800 0.006 0.000 0.921 264 D HN -0.027 nan 8.370 nan 0.000 0.510 265 N N 0.259 118.965 118.700 0.010 0.000 2.527 265 N HA 0.309 5.050 4.740 0.001 0.000 0.236 265 N C 0.668 176.188 175.510 0.017 0.000 0.999 265 N CA -0.190 52.866 53.050 0.009 0.000 0.935 265 N CB 1.168 39.663 38.487 0.012 0.000 1.132 265 N HN 0.072 nan 8.380 nan 0.000 0.511 266 A N 2.859 125.684 122.820 0.010 0.000 1.877 266 A HA -0.180 4.141 4.320 0.001 0.000 0.216 266 A C 2.140 179.748 177.584 0.041 0.000 1.186 266 A CA 2.179 54.226 52.037 0.018 0.000 0.620 266 A CB -0.760 18.243 19.000 0.005 0.000 0.822 266 A HN 0.744 nan 8.150 nan 0.000 0.443 267 S N 0.216 115.933 115.700 0.028 0.000 2.368 267 S HA 0.022 4.493 4.470 0.001 0.000 0.225 267 S C 2.108 176.837 174.600 0.216 0.000 1.030 267 S CA 1.395 59.641 58.200 0.077 0.000 0.999 267 S CB -0.730 62.406 63.200 -0.106 0.000 0.844 267 S HN 0.911 nan 8.310 nan 0.000 0.459 268 A N 1.764 124.661 122.820 0.128 0.000 1.898 268 A HA 0.052 4.373 4.320 0.001 0.000 0.216 268 A C 2.455 180.086 177.584 0.078 0.000 1.181 268 A CA 1.689 53.793 52.037 0.111 0.000 0.620 268 A CB -1.177 17.858 19.000 0.057 0.000 0.819 268 A HN 0.545 nan 8.150 nan 0.000 0.442 269 S N 0.126 115.864 115.700 0.064 0.000 2.356 269 S HA -0.084 4.387 4.470 0.001 0.000 0.223 269 S C 2.312 176.946 174.600 0.056 0.000 1.032 269 S CA 1.261 59.491 58.200 0.049 0.000 1.005 269 S CB -0.511 62.711 63.200 0.038 0.000 0.867 269 S HN 0.802 nan 8.310 nan 0.000 0.449 270 A N 0.964 123.833 122.820 0.082 0.000 1.933 270 A HA -0.044 4.277 4.320 0.001 0.000 0.218 270 A C 2.140 179.768 177.584 0.073 0.000 1.175 270 A CA 1.379 53.470 52.037 0.089 0.000 0.628 270 A CB -0.557 18.523 19.000 0.134 0.000 0.814 270 A HN 0.422 nan 8.150 nan 0.000 0.444 271 L N -0.826 120.437 121.223 0.068 0.000 2.068 271 L HA 0.100 4.440 4.340 0.001 0.000 0.204 271 L C 2.049 178.902 176.870 -0.028 0.000 1.076 271 L CA 1.554 56.367 54.840 -0.046 0.000 0.753 271 L CB -0.214 41.712 42.059 -0.222 0.000 0.910 271 L HN 0.350 nan 8.230 nan 0.000 0.439 272 L N -0.651 120.569 121.223 -0.005 0.000 2.477 272 L HA 0.392 4.733 4.340 0.001 0.000 0.220 272 L C 1.116 178.005 176.870 0.032 0.000 1.106 272 L CA 0.201 55.046 54.840 0.008 0.000 0.851 272 L CB -0.879 41.175 42.059 -0.009 0.000 0.994 272 L HN 0.436 nan 8.230 nan 0.000 0.462 273 G N 1.503 110.322 108.800 0.031 0.000 2.795 273 G HA2 -0.259 3.702 3.960 0.001 0.000 0.664 273 G HA3 -0.259 3.702 3.960 0.001 0.000 0.664 273 G C 0.019 174.941 174.900 0.036 0.000 1.381 273 G CA -0.095 45.026 45.100 0.035 0.000 0.853 273 G HN 0.355 nan 8.290 nan 0.000 0.545 274 I N -2.650 117.939 120.570 0.031 0.000 4.009 274 I HA 0.513 4.684 4.170 0.001 0.000 0.331 274 I C 0.833 176.965 176.117 0.026 0.000 1.462 274 I CA -0.637 60.680 61.300 0.028 0.000 1.117 274 I CB 0.194 38.207 38.000 0.021 0.000 1.091 274 I HN 0.352 nan 8.210 nan 0.000 0.410 275 R N 1.851 122.370 120.500 0.032 0.000 2.459 275 R HA 0.475 4.815 4.340 0.001 0.000 0.281 275 R C 0.545 176.864 176.300 0.031 0.000 1.050 275 R CA -0.216 55.899 56.100 0.026 0.000 1.055 275 R CB 1.322 31.641 30.300 0.033 0.000 1.045 275 R HN 0.473 nan 8.270 nan 0.000 0.495 276 S N 2.143 117.840 115.700 -0.006 0.000 2.614 276 S HA 0.050 4.521 4.470 0.001 0.000 0.265 276 S C 1.312 175.908 174.600 -0.007 0.000 1.303 276 S CA -0.895 57.285 58.200 -0.033 0.000 1.000 276 S CB 0.511 63.617 63.200 -0.156 0.000 0.935 276 S HN 0.916 nan 8.310 nan 0.000 0.551 277 W N 1.081 122.372 121.300 -0.016 0.000 2.402 277 W HA -0.127 4.534 4.660 0.002 0.000 0.286 277 W C 1.101 177.567 176.519 -0.088 0.000 1.221 277 W CA 1.054 58.398 57.345 -0.002 0.000 1.257 277 W CB -1.124 28.378 29.460 0.070 0.000 1.120 277 W HN 0.659 nan 8.180 nan 0.000 0.551 278 Q N 1.221 120.427 119.800 -0.991 0.000 2.084 278 Q HA -0.116 4.225 4.340 0.001 0.000 0.202 278 Q C 2.370 178.167 176.000 -0.339 0.000 0.978 278 Q CA 3.225 58.381 55.803 -1.079 0.000 0.844 278 Q CB -0.915 27.192 28.738 -1.052 0.000 0.898 278 Q HN 0.136 nan 8.270 nan 0.000 0.426 279 T N 0.388 114.827 114.554 -0.192 0.000 2.746 279 T HA -0.129 4.222 4.350 0.001 0.000 0.267 279 T C 1.661 176.373 174.700 0.020 0.000 1.039 279 T CA 1.342 63.414 62.100 -0.046 0.000 1.142 279 T CB -0.115 68.735 68.868 -0.030 0.000 0.866 279 T HN 0.235 nan 8.240 nan 0.000 0.444 280 R N 1.014 121.541 120.500 0.044 0.000 2.075 280 R HA 0.083 4.424 4.340 0.001 0.000 0.232 280 R C 2.820 179.199 176.300 0.131 0.000 1.126 280 R CA 1.233 57.394 56.100 0.102 0.000 0.963 280 R CB -0.467 29.922 30.300 0.148 0.000 0.858 280 R HN 0.330 nan 8.270 nan 0.000 0.435 281 A N 1.299 124.210 122.820 0.152 0.000 1.972 281 A HA -0.116 4.204 4.320 0.001 0.000 0.219 281 A C 2.130 179.870 177.584 0.261 0.000 1.169 281 A CA 1.129 53.302 52.037 0.227 0.000 0.635 281 A CB -0.526 18.614 19.000 0.235 0.000 0.810 281 A HN 0.194 nan 8.150 nan 0.000 0.446 282 L N -0.615 120.749 121.223 0.234 0.000 2.265 282 L HA -0.145 4.195 4.340 0.001 0.000 0.215 282 L C 2.237 179.185 176.870 0.131 0.000 1.117 282 L CA 0.565 55.530 54.840 0.209 0.000 0.782 282 L CB -0.407 41.752 42.059 0.167 0.000 0.914 282 L HN 0.391 nan 8.230 nan 0.000 0.441 283 L N -0.699 120.591 121.223 0.112 0.000 2.201 283 L HA -0.185 4.156 4.340 0.001 0.000 0.212 283 L C 2.346 179.266 176.870 0.083 0.000 1.105 283 L CA 0.995 55.886 54.840 0.085 0.000 0.775 283 L CB -0.292 41.810 42.059 0.073 0.000 0.913 283 L HN 0.239 nan 8.230 nan 0.000 0.440 284 I N -0.032 120.599 120.570 0.103 0.000 2.179 284 I HA -0.314 3.857 4.170 0.001 0.000 0.242 284 I C 2.683 178.848 176.117 0.080 0.000 1.088 284 I CA 1.380 62.733 61.300 0.089 0.000 1.357 284 I CB -0.315 37.751 38.000 0.110 0.000 1.051 284 I HN 0.207 nan 8.210 nan 0.000 0.409 285 K N 1.430 121.885 120.400 0.092 0.000 2.057 285 K HA -0.203 4.117 4.320 0.001 0.000 0.207 285 K C 2.230 178.861 176.600 0.052 0.000 1.049 285 K CA 1.552 57.875 56.287 0.061 0.000 0.931 285 K CB -0.154 32.378 32.500 0.053 0.000 0.714 285 K HN 0.291 nan 8.250 nan 0.000 0.440 286 A N 1.326 124.183 122.820 0.062 0.000 1.883 286 A HA -0.158 4.163 4.320 0.001 0.000 0.217 286 A C 2.130 179.758 177.584 0.073 0.000 1.186 286 A CA 1.519 53.591 52.037 0.059 0.000 0.624 286 A CB -0.677 18.360 19.000 0.060 0.000 0.822 286 A HN 0.349 nan 8.150 nan 0.000 0.444 287 L N -0.794 120.480 121.223 0.085 0.000 2.141 287 L HA -0.134 4.207 4.340 0.001 0.000 0.209 287 L C 2.456 179.400 176.870 0.124 0.000 1.094 287 L CA 0.918 55.836 54.840 0.131 0.000 0.763 287 L CB -0.435 41.686 42.059 0.103 0.000 0.908 287 L HN 0.386 nan 8.230 nan 0.000 0.437 288 I N -0.094 120.517 120.570 0.069 0.000 2.179 288 I HA -0.301 3.869 4.170 0.001 0.000 0.242 288 I C 2.005 178.124 176.117 0.003 0.000 1.088 288 I CA 1.263 62.583 61.300 0.032 0.000 1.357 288 I CB -0.339 37.674 38.000 0.021 0.000 1.051 288 I HN 0.248 nan 8.210 nan 0.000 0.409 289 D N 0.416 120.824 120.400 0.012 0.000 2.218 289 D HA -0.168 4.473 4.640 0.001 0.000 0.204 289 D C 1.998 178.286 176.300 -0.020 0.000 0.976 289 D CA 0.972 54.969 54.000 -0.005 0.000 0.853 289 D CB -0.207 40.598 40.800 0.007 0.000 0.939 289 D HN 0.407 nan 8.370 nan 0.000 0.481 290 Q N -0.661 119.142 119.800 0.004 0.000 2.403 290 Q HA 0.178 4.519 4.340 0.001 0.000 0.203 290 Q C 1.128 176.961 176.000 -0.279 0.000 0.932 290 Q CA 0.611 56.399 55.803 -0.025 0.000 0.945 290 Q CB 0.942 29.775 28.738 0.160 0.000 1.045 290 Q HN 0.334 nan 8.270 nan 0.000 0.511 291 G N 0.735 109.374 108.800 -0.267 0.000 2.141 291 G HA2 -0.269 3.692 3.960 0.001 0.000 0.231 291 G HA3 -0.269 3.692 3.960 0.001 0.000 0.231 291 G C -0.026 174.577 174.900 -0.494 0.000 0.984 291 G CA -0.168 44.696 45.100 -0.394 0.000 0.660 291 G HN 0.364 nan 8.290 nan 0.000 0.525 292 Y N 0.576 120.866 120.300 -0.017 0.000 2.756 292 Y HA 0.359 4.910 4.550 0.001 0.000 0.300 292 Y C 2.461 178.344 175.900 -0.028 0.000 1.113 292 Y CA 0.217 58.303 58.100 -0.023 0.000 1.291 292 Y CB -0.398 38.047 38.460 -0.025 0.000 1.175 292 Y HN 0.491 nan 8.280 nan 0.000 0.534 293 M N -1.079 118.555 119.600 0.058 0.000 2.195 293 M HA -0.228 4.253 4.480 0.001 0.000 0.260 293 M C 1.142 177.457 176.300 0.024 0.000 1.066 293 M CA 1.945 57.264 55.300 0.032 0.000 1.089 293 M CB -0.367 32.233 32.600 0.000 0.000 1.377 293 M HN 0.074 nan 8.290 nan 0.000 0.411 294 K N 0.443 120.861 120.400 0.030 0.000 2.525 294 K HA -0.002 4.318 4.320 0.001 0.000 0.192 294 K C 0.992 177.598 176.600 0.011 0.000 1.029 294 K CA 0.659 56.955 56.287 0.014 0.000 1.029 294 K CB 0.037 32.544 32.500 0.013 0.000 0.814 294 K HN 0.620 nan 8.250 nan 0.000 0.503 295 Q N 0.313 120.132 119.800 0.032 0.000 2.172 295 Q HA 0.256 4.597 4.340 0.001 0.000 0.217 295 Q C -0.506 175.459 176.000 -0.059 0.000 0.832 295 Q CA -0.173 55.622 55.803 -0.013 0.000 1.010 295 Q CB 0.732 29.480 28.738 0.017 0.000 1.133 295 Q HN 0.187 nan 8.270 nan 0.000 0.489 296 I N 1.263 121.804 120.570 -0.048 0.000 2.392 296 I HA 0.327 4.498 4.170 0.001 0.000 0.295 296 I C -0.622 175.432 176.117 -0.104 0.000 0.985 296 I CA -0.635 60.626 61.300 -0.065 0.000 1.221 296 I CB 1.312 39.299 38.000 -0.022 0.000 1.366 296 I HN -0.047 nan 8.210 nan 0.000 0.467 297 L N 6.670 127.815 121.223 -0.129 0.000 2.381 297 L HA 0.614 4.954 4.340 0.001 0.000 0.274 297 L C -0.835 175.989 176.870 -0.076 0.000 0.988 297 L CA -0.829 53.928 54.840 -0.138 0.000 0.824 297 L CB 2.125 44.046 42.059 -0.231 0.000 1.263 297 L HN 0.266 nan 8.230 nan 0.000 0.410 298 V N 1.818 121.706 119.914 -0.044 0.000 2.628 298 V HA 0.736 4.857 4.120 0.001 0.000 0.306 298 V C -0.149 175.977 176.094 0.053 0.000 1.045 298 V CA -0.242 62.065 62.300 0.012 0.000 0.905 298 V CB 1.986 33.824 31.823 0.025 0.000 0.997 298 V HN 0.855 nan 8.190 nan 0.000 0.436 299 S N 1.487 117.244 115.700 0.096 0.000 2.727 299 S HA 0.449 4.920 4.470 0.001 0.000 0.278 299 S C 0.036 174.750 174.600 0.190 0.000 1.186 299 S CA -0.593 57.696 58.200 0.148 0.000 0.836 299 S CB 1.849 65.146 63.200 0.161 0.000 1.186 299 S HN 0.790 nan 8.310 nan 0.000 0.499 300 N N 0.780 119.626 118.700 0.243 0.000 2.273 300 N HA 0.098 4.839 4.740 0.001 0.000 0.192 300 N C -0.748 175.055 175.510 0.489 0.000 1.132 300 N CA 0.272 53.516 53.050 0.324 0.000 0.887 300 N CB 0.188 38.842 38.487 0.279 0.000 1.048 300 N HN 0.738 nan 8.380 nan 0.000 0.490 301 D N 0.225 120.875 120.400 0.418 0.000 2.723 301 D HA -0.186 4.455 4.640 0.001 0.000 0.236 301 D C -0.506 176.099 176.300 0.509 0.000 1.138 301 D CA 0.390 54.682 54.000 0.487 0.000 0.676 301 D CB -1.160 39.859 40.800 0.366 0.000 1.069 301 D HN 0.364 nan 8.370 nan 0.000 0.430 302 W N -0.557 120.817 121.300 0.123 0.000 2.166 302 W HA 0.527 5.187 4.660 0.001 0.000 0.364 302 W C -0.001 176.398 176.519 -0.200 0.000 1.344 302 W CA -0.569 56.730 57.345 -0.077 0.000 1.471 302 W CB 0.664 30.034 29.460 -0.151 0.000 1.220 302 W HN 0.048 nan 8.180 nan 0.000 0.666 303 L N -0.135 120.663 121.223 -0.708 0.000 2.838 303 L HA 0.358 4.699 4.340 0.001 0.000 0.266 303 L C -0.504 175.889 176.870 -0.795 0.000 1.040 303 L CA -0.666 53.786 54.840 -0.646 0.000 0.906 303 L CB 0.438 42.190 42.059 -0.512 0.000 1.501 303 L HN 0.294 nan 8.230 nan 0.000 0.407 304 F N -0.465 119.471 119.950 -0.023 0.000 2.717 304 F HA 0.684 5.212 4.527 0.002 0.000 0.297 304 F C 1.166 176.994 175.800 0.047 0.000 1.113 304 F CA -0.008 58.011 58.000 0.032 0.000 1.319 304 F CB 0.850 39.876 39.000 0.043 0.000 1.097 304 F HN 0.629 nan 8.300 nan 0.000 0.595 305 G N -0.418 108.471 108.800 0.148 0.000 2.667 305 G HA2 0.510 4.471 3.960 0.001 0.000 0.298 305 G HA3 0.510 4.471 3.960 0.001 0.000 0.298 305 G C -2.144 172.950 174.900 0.323 0.000 1.377 305 G CA -0.385 44.881 45.100 0.278 0.000 0.964 305 G HN -0.159 nan 8.290 nan 0.000 0.493 306 F N 2.522 122.654 119.950 0.302 0.000 3.164 306 F HA 0.407 4.935 4.527 0.001 0.000 0.375 306 F C 0.715 176.635 175.800 0.200 0.000 1.257 306 F CA -1.651 56.425 58.000 0.127 0.000 1.171 306 F CB 1.618 40.598 39.000 -0.033 0.000 1.588 306 F HN 0.476 nan 8.300 nan 0.000 0.604 307 S N 0.749 116.633 115.700 0.307 0.000 2.511 307 S HA 0.004 4.474 4.470 0.001 0.000 0.214 307 S C 1.288 175.646 174.600 -0.403 0.000 0.997 307 S CA 0.597 58.613 58.200 -0.307 0.000 0.908 307 S CB -0.205 62.396 63.200 -0.998 0.000 0.803 307 S HN 0.492 nan 8.310 nan 0.000 0.504 308 S N 0.099 115.741 115.700 -0.097 0.000 2.786 308 S HA 0.303 4.773 4.470 0.001 0.000 0.223 308 S C -0.136 174.501 174.600 0.061 0.000 0.956 308 S CA -0.433 57.760 58.200 -0.011 0.000 0.961 308 S CB -0.700 62.592 63.200 0.153 0.000 0.784 308 S HN 0.608 nan 8.310 nan 0.000 0.519 309 Y N 0.514 120.576 120.300 -0.397 0.000 3.071 309 Y HA 0.540 5.091 4.550 0.001 0.000 0.301 309 Y C -0.342 175.369 175.900 -0.316 0.000 1.657 309 Y CA -1.632 56.221 58.100 -0.412 0.000 1.078 309 Y CB 0.778 38.763 38.460 -0.792 0.000 1.465 309 Y HN 0.104 nan 8.280 nan 0.000 0.496 310 V N 0.710 120.214 119.914 -0.682 0.000 2.963 310 V HA 0.314 4.435 4.120 0.001 0.000 0.306 310 V C 0.015 175.974 176.094 -0.225 0.000 1.077 310 V CA -0.442 61.594 62.300 -0.441 0.000 1.124 310 V CB 0.033 31.558 31.823 -0.497 0.000 0.987 310 V HN 0.716 nan 8.190 nan 0.000 0.487 311 T N 4.690 119.167 114.554 -0.128 0.000 2.940 311 T HA 0.212 4.563 4.350 0.001 0.000 0.309 311 T C 0.884 175.511 174.700 -0.121 0.000 1.056 311 T CA 1.113 63.166 62.100 -0.078 0.000 1.137 311 T CB -0.249 68.572 68.868 -0.079 0.000 0.976 311 T HN 1.136 nan 8.240 nan 0.000 0.547 312 N N -0.712 117.909 118.700 -0.132 0.000 2.984 312 N HA -0.182 4.559 4.740 0.001 0.000 0.227 312 N C 0.816 176.288 175.510 -0.063 0.000 0.903 312 N CA 0.609 53.600 53.050 -0.099 0.000 0.995 312 N CB -1.351 37.083 38.487 -0.088 0.000 1.065 312 N HN 0.541 nan 8.380 nan 0.000 0.585 313 I N 0.815 121.339 120.570 -0.076 0.000 2.361 313 I HA -0.103 4.067 4.170 0.001 0.000 0.251 313 I C 2.180 178.298 176.117 0.001 0.000 1.133 313 I CA 1.574 62.849 61.300 -0.042 0.000 1.413 313 I CB -0.135 37.809 38.000 -0.092 0.000 1.073 313 I HN 0.362 nan 8.210 nan 0.000 0.424 314 M N 0.407 120.023 119.600 0.026 0.000 2.086 314 M HA -0.230 4.251 4.480 0.001 0.000 0.261 314 M C 1.745 178.068 176.300 0.038 0.000 1.067 314 M CA 1.981 57.315 55.300 0.057 0.000 1.116 314 M CB -0.599 32.071 32.600 0.117 0.000 1.348 314 M HN 0.227 nan 8.290 nan 0.000 0.407 315 D N -0.669 119.746 120.400 0.025 0.000 2.117 315 D HA -0.142 4.499 4.640 0.001 0.000 0.197 315 D C 2.142 178.465 176.300 0.038 0.000 0.987 315 D CA 1.527 55.546 54.000 0.032 0.000 0.829 315 D CB -0.487 40.317 40.800 0.006 0.000 0.961 315 D HN 0.292 nan 8.370 nan 0.000 0.460 316 V N 1.125 121.051 119.914 0.021 0.000 2.295 316 V HA -0.256 3.865 4.120 0.001 0.000 0.246 316 V C 2.552 178.672 176.094 0.044 0.000 1.049 316 V CA 1.424 63.739 62.300 0.025 0.000 1.024 316 V CB -0.386 31.445 31.823 0.014 0.000 0.648 316 V HN 0.198 nan 8.190 nan 0.000 0.447 317 M N -0.499 119.119 119.600 0.030 0.000 2.117 317 M HA -0.178 4.302 4.480 0.001 0.000 0.262 317 M C 1.939 178.410 176.300 0.286 0.000 1.065 317 M CA 1.782 57.115 55.300 0.056 0.000 1.114 317 M CB -0.634 31.805 32.600 -0.268 0.000 1.361 317 M HN 0.304 nan 8.290 nan 0.000 0.408 318 D N -0.013 120.529 120.400 0.236 0.000 2.218 318 D HA -0.099 4.541 4.640 0.001 0.000 0.204 318 D C 2.037 178.433 176.300 0.160 0.000 0.976 318 D CA 1.032 55.204 54.000 0.287 0.000 0.853 318 D CB -0.204 40.730 40.800 0.222 0.000 0.939 318 D HN 0.365 nan 8.370 nan 0.000 0.481 319 R N 0.128 120.692 120.500 0.107 0.000 2.093 319 R HA -0.007 4.334 4.340 0.001 0.000 0.224 319 R C 2.375 178.702 176.300 0.045 0.000 1.101 319 R CA 0.384 56.521 56.100 0.062 0.000 0.979 319 R CB -0.160 30.168 30.300 0.046 0.000 0.877 319 R HN 0.042 nan 8.270 nan 0.000 0.441 320 V N 1.317 121.266 119.914 0.059 0.000 2.343 320 V HA -0.182 3.938 4.120 0.001 0.000 0.247 320 V C 0.661 176.718 176.094 -0.060 0.000 1.051 320 V CA 1.423 63.736 62.300 0.021 0.000 1.036 320 V CB -0.424 31.423 31.823 0.040 0.000 0.654 320 V HN 0.329 nan 8.190 nan 0.000 0.451 321 N N -0.381 118.277 118.700 -0.071 0.000 2.762 321 N HA 0.262 5.003 4.740 0.001 0.000 0.252 321 N C -2.064 173.299 175.510 -0.245 0.000 1.269 321 N CA -1.771 51.080 53.050 -0.333 0.000 0.799 321 N CB 1.571 39.553 38.487 -0.842 0.000 1.173 321 N HN 0.002 nan 8.380 nan 0.000 0.516 322 P HA -0.054 nan 4.420 nan 0.000 0.219 322 P C 0.321 177.572 177.300 -0.082 0.000 1.146 322 P CA 1.005 64.080 63.100 -0.043 0.000 0.808 322 P CB 0.413 32.107 31.700 -0.011 0.000 0.779 323 D N -0.937 119.378 120.400 -0.140 0.000 2.312 323 D HA -0.006 4.635 4.640 0.001 0.000 0.211 323 D C 1.705 177.869 176.300 -0.227 0.000 0.964 323 D CA 1.307 55.236 54.000 -0.119 0.000 0.877 323 D CB -0.505 40.275 40.800 -0.032 0.000 0.924 323 D HN 0.110 nan 8.370 nan 0.000 0.515 324 G N 1.480 109.951 108.800 -0.547 0.000 2.634 324 G HA2 -0.422 3.539 3.960 0.001 0.000 0.309 324 G HA3 -0.422 3.539 3.960 0.001 0.000 0.309 324 G C 1.133 175.640 174.900 -0.656 0.000 1.265 324 G CA 0.661 45.166 45.100 -0.992 0.000 0.998 324 G HN 0.270 nan 8.290 nan 0.000 0.551 325 M N 1.018 120.482 119.600 -0.226 0.000 2.358 325 M HA 0.032 4.513 4.480 0.001 0.000 0.264 325 M C 2.756 179.053 176.300 -0.004 0.000 1.064 325 M CA 1.721 57.011 55.300 -0.015 0.000 1.093 325 M CB -0.274 32.407 32.600 0.135 0.000 1.401 325 M HN 0.696 nan 8.290 nan 0.000 0.440 326 A N -0.597 122.197 122.820 -0.042 0.000 2.235 326 A HA -0.064 4.256 4.320 0.001 0.000 0.208 326 A C 1.758 179.295 177.584 -0.079 0.000 1.172 326 A CA 0.269 52.269 52.037 -0.061 0.000 0.786 326 A CB -0.867 18.091 19.000 -0.069 0.000 0.804 326 A HN 0.486 nan 8.150 nan 0.000 0.479 327 F N 0.866 120.672 119.950 -0.240 0.000 2.126 327 F HA -0.221 4.307 4.527 0.001 0.000 0.299 327 F C 1.906 177.592 175.800 -0.191 0.000 1.096 327 F CA 1.548 59.376 58.000 -0.287 0.000 1.255 327 F CB -0.020 38.738 39.000 -0.403 0.000 0.997 327 F HN 0.193 nan 8.300 nan 0.000 0.479 328 I N 1.641 122.194 120.570 -0.027 0.000 2.099 328 I HA -0.222 3.948 4.170 0.001 0.000 0.239 328 I C -0.287 175.809 176.117 -0.035 0.000 1.066 328 I CA 1.872 63.172 61.300 0.001 0.000 1.324 328 I CB -2.960 35.149 38.000 0.182 0.000 1.037 328 I HN 0.119 nan 8.210 nan 0.000 0.401 329 P HA -0.083 nan 4.420 nan 0.000 0.219 329 P C 2.203 179.420 177.300 -0.138 0.000 1.150 329 P CA 1.362 64.419 63.100 -0.071 0.000 0.814 329 P CB 0.026 31.542 31.700 -0.306 0.000 0.787 330 L N -1.479 119.618 121.223 -0.209 0.000 2.209 330 L HA 0.031 4.372 4.340 0.001 0.000 0.207 330 L C 2.635 179.327 176.870 -0.295 0.000 1.094 330 L CA 1.008 55.717 54.840 -0.219 0.000 0.790 330 L CB -0.299 41.635 42.059 -0.209 0.000 0.932 330 L HN -0.095 nan 8.230 nan 0.000 0.447 331 R N -1.391 118.788 120.500 -0.535 0.000 2.320 331 R HA 0.152 4.493 4.340 0.001 0.000 0.193 331 R C 2.073 178.107 176.300 -0.443 0.000 0.885 331 R CA 0.503 56.210 56.100 -0.654 0.000 1.085 331 R CB -0.337 29.098 30.300 -1.443 0.000 1.253 331 R HN 0.057 nan 8.270 nan 0.000 0.636 332 V N 2.411 122.026 119.914 -0.499 0.000 2.307 332 V HA -0.165 3.955 4.120 0.001 0.000 0.245 332 V C 2.429 178.606 176.094 0.138 0.000 1.045 332 V CA 1.424 63.685 62.300 -0.065 0.000 1.024 332 V CB -0.381 31.421 31.823 -0.035 0.000 0.651 332 V HN 0.073 nan 8.190 nan 0.000 0.449 333 I N 0.260 120.870 120.570 0.067 0.000 2.163 333 I HA -0.122 4.049 4.170 0.001 0.000 0.243 333 I C 0.086 176.266 176.117 0.104 0.000 1.085 333 I CA 1.774 63.138 61.300 0.107 0.000 1.347 333 I CB -2.712 35.364 38.000 0.127 0.000 1.044 333 I HN 0.339 nan 8.210 nan 0.000 0.408 334 P HA -0.177 nan 4.420 nan 0.000 0.217 334 P C 2.053 179.436 177.300 0.139 0.000 1.150 334 P CA 1.226 64.375 63.100 0.081 0.000 0.832 334 P CB -0.214 31.515 31.700 0.048 0.000 0.787 335 F N 0.315 120.310 119.950 0.074 0.000 2.134 335 F HA -0.162 4.366 4.527 0.001 0.000 0.299 335 F C 1.898 177.749 175.800 0.085 0.000 1.097 335 F CA 1.461 59.539 58.000 0.130 0.000 1.264 335 F CB -0.790 38.392 39.000 0.303 0.000 1.001 335 F HN -0.268 nan 8.300 nan 0.000 0.479 336 L N 0.050 121.351 121.223 0.130 0.000 2.093 336 L HA -0.174 4.167 4.340 0.001 0.000 0.208 336 L C 2.717 179.546 176.870 -0.069 0.000 1.085 336 L CA 1.404 56.239 54.840 -0.008 0.000 0.755 336 L CB -0.715 41.410 42.059 0.108 0.000 0.904 336 L HN 0.116 nan 8.230 nan 0.000 0.435 337 R N 0.545 121.034 120.500 -0.018 0.000 2.081 337 R HA -0.189 4.152 4.340 0.001 0.000 0.235 337 R C 2.101 178.361 176.300 -0.065 0.000 1.131 337 R CA 1.608 57.693 56.100 -0.026 0.000 0.960 337 R CB -0.069 30.233 30.300 0.004 0.000 0.856 337 R HN 0.399 nan 8.270 nan 0.000 0.436 338 E N -0.089 120.055 120.200 -0.093 0.000 2.204 338 E HA -0.145 4.206 4.350 0.001 0.000 0.195 338 E C 1.294 177.790 176.600 -0.175 0.000 0.990 338 E CA 0.803 57.133 56.400 -0.117 0.000 0.821 338 E CB 0.199 29.837 29.700 -0.105 0.000 0.750 338 E HN 0.109 nan 8.360 nan 0.000 0.477 339 K N -0.530 119.712 120.400 -0.262 0.000 2.505 339 K HA 0.063 4.384 4.320 0.001 0.000 0.192 339 K C 0.991 177.509 176.600 -0.137 0.000 1.025 339 K CA 0.689 56.826 56.287 -0.251 0.000 1.086 339 K CB 0.896 33.177 32.500 -0.365 0.000 0.840 339 K HN 0.288 nan 8.250 nan 0.000 0.514 340 G N 0.492 109.233 108.800 -0.099 0.000 2.179 340 G HA2 -0.233 3.728 3.960 0.001 0.000 0.220 340 G HA3 -0.233 3.728 3.960 0.001 0.000 0.220 340 G C 0.129 175.002 174.900 -0.045 0.000 0.990 340 G CA -0.010 45.053 45.100 -0.062 0.000 0.646 340 G HN 0.106 nan 8.290 nan 0.000 0.517 341 V N 2.993 122.881 119.914 -0.044 0.000 2.521 341 V HA 0.383 4.504 4.120 0.001 0.000 0.286 341 V C -1.186 174.900 176.094 -0.014 0.000 1.034 341 V CA -0.982 61.305 62.300 -0.022 0.000 1.045 341 V CB 0.989 32.807 31.823 -0.007 0.000 0.974 341 V HN 0.211 nan 8.190 nan 0.000 0.480 342 P HA 0.117 nan 4.420 nan 0.000 0.272 342 P C 0.594 177.893 177.300 -0.000 0.000 1.223 342 P CA -0.213 62.883 63.100 -0.008 0.000 0.784 342 P CB 0.725 32.419 31.700 -0.010 0.000 0.923 343 Q N 1.099 120.901 119.800 0.003 0.000 2.077 343 Q HA -0.266 4.075 4.340 0.001 0.000 0.206 343 Q C 1.512 177.517 176.000 0.009 0.000 0.989 343 Q CA 1.948 57.758 55.803 0.011 0.000 0.853 343 Q CB -0.107 28.639 28.738 0.013 0.000 0.907 343 Q HN 0.452 nan 8.270 nan 0.000 0.418 344 E N -0.851 119.350 120.200 0.003 0.000 2.160 344 E HA -0.165 4.186 4.350 0.001 0.000 0.195 344 E C 1.890 178.486 176.600 -0.006 0.000 0.991 344 E CA 1.816 58.215 56.400 -0.001 0.000 0.810 344 E CB 0.018 29.716 29.700 -0.004 0.000 0.742 344 E HN 0.354 nan 8.360 nan 0.000 0.466 345 T N 0.568 115.118 114.554 -0.007 0.000 2.812 345 T HA -0.059 4.291 4.350 0.001 0.000 0.264 345 T C 1.828 176.520 174.700 -0.013 0.000 1.042 345 T CA 0.738 62.832 62.100 -0.010 0.000 1.140 345 T CB -0.138 68.725 68.868 -0.009 0.000 0.870 345 T HN 0.089 nan 8.240 nan 0.000 0.445 346 L N 0.859 122.080 121.223 -0.004 0.000 2.083 346 L HA -0.056 4.284 4.340 0.001 0.000 0.209 346 L C 3.049 179.901 176.870 -0.031 0.000 1.083 346 L CA 1.204 56.042 54.840 -0.004 0.000 0.752 346 L CB -0.696 41.380 42.059 0.027 0.000 0.899 346 L HN 0.238 nan 8.230 nan 0.000 0.433 347 A N 0.368 123.179 122.820 -0.014 0.000 1.930 347 A HA -0.063 4.258 4.320 0.001 0.000 0.217 347 A C 2.420 179.971 177.584 -0.055 0.000 1.175 347 A CA 1.516 53.539 52.037 -0.023 0.000 0.627 347 A CB -1.130 17.874 19.000 0.007 0.000 0.815 347 A HN 0.424 nan 8.150 nan 0.000 0.443 348 G N 0.090 108.866 108.800 -0.041 0.000 2.418 348 G HA2 -0.186 3.774 3.960 0.001 0.000 0.217 348 G HA3 -0.186 3.774 3.960 0.001 0.000 0.217 348 G C 1.519 176.379 174.900 -0.065 0.000 1.158 348 G CA 1.149 46.224 45.100 -0.042 0.000 0.771 348 G HN 0.465 nan 8.290 nan 0.000 0.545 349 I N 1.407 121.931 120.570 -0.076 0.000 2.252 349 I HA -0.137 4.034 4.170 0.001 0.000 0.245 349 I C 3.065 179.082 176.117 -0.167 0.000 1.102 349 I CA 1.729 62.972 61.300 -0.095 0.000 1.385 349 I CB -0.204 37.755 38.000 -0.070 0.000 1.064 349 I HN 0.328 nan 8.210 nan 0.000 0.414 350 T N -2.974 111.420 114.554 -0.266 0.000 3.067 350 T HA 0.101 4.452 4.350 0.001 0.000 0.257 350 T C 1.415 175.852 174.700 -0.438 0.000 1.105 350 T CA 0.502 62.282 62.100 -0.533 0.000 1.104 350 T CB 0.128 68.343 68.868 -1.089 0.000 0.925 350 T HN 0.124 nan 8.240 nan 0.000 0.498 351 V N 0.685 120.466 119.914 -0.222 0.000 3.054 351 V HA 0.050 4.171 4.120 0.001 0.000 0.227 351 V C 2.775 178.837 176.094 -0.054 0.000 1.252 351 V CA 1.065 63.303 62.300 -0.104 0.000 1.279 351 V CB -0.332 31.465 31.823 -0.044 0.000 1.118 351 V HN 0.360 nan 8.190 nan 0.000 0.504 352 T N 1.228 115.754 114.554 -0.047 0.000 2.674 352 T HA -0.165 4.186 4.350 0.001 0.000 0.265 352 T C 1.785 176.476 174.700 -0.016 0.000 1.039 352 T CA 1.973 64.059 62.100 -0.024 0.000 1.150 352 T CB -0.366 68.490 68.868 -0.020 0.000 0.864 352 T HN 0.340 nan 8.240 nan 0.000 0.427 353 N N 1.633 120.315 118.700 -0.031 0.000 2.043 353 N HA -0.065 4.676 4.740 0.001 0.000 0.193 353 N C -0.946 174.576 175.510 0.021 0.000 1.037 353 N CA 1.318 54.355 53.050 -0.021 0.000 0.851 353 N CB -1.597 36.855 38.487 -0.058 0.000 1.027 353 N HN 0.337 nan 8.380 nan 0.000 0.422 354 P HA -0.034 nan 4.420 nan 0.000 0.217 354 P C 1.074 178.432 177.300 0.097 0.000 1.150 354 P CA 1.545 64.691 63.100 0.077 0.000 0.832 354 P CB -0.097 31.618 31.700 0.026 0.000 0.787 355 A N -0.001 122.843 122.820 0.040 0.000 1.877 355 A HA -0.224 4.097 4.320 0.001 0.000 0.216 355 A C 2.456 180.057 177.584 0.027 0.000 1.186 355 A CA 1.668 53.718 52.037 0.022 0.000 0.620 355 A CB -1.240 17.763 19.000 0.005 0.000 0.822 355 A HN 0.013 nan 8.150 nan 0.000 0.443 356 R N -1.932 118.594 120.500 0.044 0.000 2.081 356 R HA -0.148 4.192 4.340 0.001 0.000 0.235 356 R C 1.993 178.344 176.300 0.086 0.000 1.131 356 R CA 1.790 57.917 56.100 0.046 0.000 0.960 356 R CB -0.423 29.902 30.300 0.042 0.000 0.856 356 R HN 0.508 nan 8.270 nan 0.000 0.436 357 F N 1.207 121.127 119.950 -0.050 0.000 2.102 357 F HA -0.127 4.401 4.527 0.001 0.000 0.298 357 F C 1.823 177.586 175.800 -0.060 0.000 1.105 357 F CA 1.457 59.423 58.000 -0.056 0.000 1.239 357 F CB -0.344 38.625 39.000 -0.051 0.000 0.991 357 F HN -0.031 nan 8.300 nan 0.000 0.474 358 L N -0.692 120.476 121.223 -0.092 0.000 2.217 358 L HA -0.070 4.271 4.340 0.001 0.000 0.211 358 L C 1.374 178.140 176.870 -0.173 0.000 1.107 358 L CA 0.531 55.247 54.840 -0.207 0.000 0.783 358 L CB -0.795 41.213 42.059 -0.085 0.000 0.919 358 L HN -0.001 nan 8.230 nan 0.000 0.442 359 S N 0.835 116.470 115.700 -0.107 0.000 2.546 359 S HA 0.088 4.559 4.470 0.001 0.000 0.290 359 S C -2.169 172.358 174.600 -0.122 0.000 1.262 359 S CA -1.320 56.823 58.200 -0.095 0.000 1.083 359 S CB 0.281 63.444 63.200 -0.061 0.000 0.859 359 S HN -0.084 nan 8.310 nan 0.000 0.495 360 P HA 0.160 nan 4.420 nan 0.000 0.267 360 P C -1.027 176.214 177.300 -0.099 0.000 1.209 360 P CA 0.100 63.125 63.100 -0.124 0.000 0.763 360 P CB 0.545 32.178 31.700 -0.110 0.000 0.816 361 T N 4.297 118.789 114.554 -0.103 0.000 2.949 361 T HA 0.406 4.757 4.350 0.001 0.000 0.300 361 T C -0.030 174.626 174.700 -0.074 0.000 0.988 361 T CA -0.548 61.505 62.100 -0.078 0.000 0.993 361 T CB 0.414 69.238 68.868 -0.074 0.000 0.984 361 T HN 0.103 nan 8.240 nan 0.000 0.442 362 L N 2.214 123.401 121.223 -0.059 0.000 2.399 362 L HA 0.543 4.884 4.340 0.001 0.000 0.266 362 L C 1.049 177.893 176.870 -0.042 0.000 1.114 362 L CA -1.070 53.739 54.840 -0.051 0.000 0.804 362 L CB 0.748 42.782 42.059 -0.043 0.000 1.146 362 L HN 0.462 nan 8.230 nan 0.000 0.451 363 R N 1.393 121.871 120.500 -0.038 0.000 2.590 363 R HA 0.377 4.718 4.340 0.001 0.000 0.274 363 R C -0.133 176.152 176.300 -0.025 0.000 1.061 363 R CA -0.077 56.004 56.100 -0.031 0.000 1.081 363 R CB 0.806 31.091 30.300 -0.026 0.000 0.984 363 R HN 0.779 nan 8.270 nan 0.000 0.448 364 A N 0.000 122.807 122.820 -0.022 0.000 2.254 364 A HA 0.000 4.321 4.320 0.001 0.000 0.244 364 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 364 A CB 0.000 18.989 19.000 -0.017 0.000 0.831 364 A HN 0.000 nan 8.150 nan 0.000 0.486