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 3aaq_1_A DATA FIRST_RESID 41 DATA SEQUENCE KHSCIAVIDA GSTGSRLHIY SYDTDDTNTP IHIEEIWNKK IKPGFASIQP DATA SEQUENCE NSVTIDAYLT MLLADAPIHN IPVYFYATAG MRLLPQSQQK KYYDELEYWF DATA SEQUENCE RQQSQWQLVE AKTITGNDEA LFDWLAVNYK LDTLKSXXXX SVGVMDMGGA DATA SEQUENCE SVQIVFPMPK NAEISKHNQV ELNIYGQNIN LYVHSFLGLG QTEMSHQFLN DATA SEQUENCE SPScFANDYP LPDGESGQGN APScKEEVTS LMNSVHKVNQ QIQPLLALNP DATA SEQUENCE VNEWYSIGGI SNLASSQLFH FENSELTNQS LLQQGDNQIc HQQWDILNGQ DATA SEQUENCE YPDDEYLYQY cLLSSYYYAL MVDGYGINPN QTIHYIPPEQ NLDWTIGVVL DATA SEQUENCE HRA 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 41 K HA 0.000 nan 4.320 nan 0.000 0.191 41 K C 0.000 176.306 176.600 -0.489 0.000 0.988 41 K CA 0.000 56.122 56.287 -0.275 0.000 0.838 41 K CB 0.000 32.344 32.500 -0.260 0.000 1.064 42 H N 0.097 119.137 119.070 -0.049 0.000 2.855 42 H HA 0.638 5.193 4.556 -0.001 0.000 0.363 42 H C -0.615 174.606 175.328 -0.178 0.000 1.185 42 H CA -0.662 55.327 56.048 -0.098 0.000 1.174 42 H CB 1.948 31.671 29.762 -0.066 0.000 1.857 42 H HN 0.283 nan 8.280 nan 0.000 0.565 43 S N 0.176 115.735 115.700 -0.234 0.000 2.584 43 S HA 0.213 4.683 4.470 -0.001 0.000 0.270 43 S C -0.015 174.389 174.600 -0.327 0.000 1.346 43 S CA -0.196 57.747 58.200 -0.429 0.000 1.018 43 S CB 0.264 62.906 63.200 -0.931 0.000 0.899 43 S HN 0.438 nan 8.310 nan 0.000 0.542 44 C N 2.307 121.566 119.300 -0.068 0.000 2.797 44 C HA 0.733 5.193 4.460 -0.001 0.000 0.306 44 C C -0.316 174.853 174.990 0.299 0.000 1.207 44 C CA -0.716 58.390 59.018 0.146 0.000 1.507 44 C CB 0.716 28.521 27.740 0.108 0.000 2.028 44 C HN 0.877 nan 8.230 nan 0.000 0.475 45 I N 2.051 122.847 120.570 0.377 0.000 2.722 45 I HA 0.721 4.891 4.170 -0.001 0.000 0.295 45 I C -0.731 175.572 176.117 0.310 0.000 1.161 45 I CA -0.216 61.286 61.300 0.337 0.000 1.032 45 I CB 1.817 39.988 38.000 0.286 0.000 1.244 45 I HN 0.785 nan 8.210 nan 0.000 0.421 46 A N 6.761 129.764 122.820 0.304 0.000 2.318 46 A HA 0.768 5.087 4.320 -0.001 0.000 0.324 46 A C -1.369 176.325 177.584 0.184 0.000 1.170 46 A CA -0.451 51.748 52.037 0.269 0.000 0.810 46 A CB 1.448 20.679 19.000 0.385 0.000 1.198 46 A HN 0.422 nan 8.150 nan 0.000 0.484 47 V N 3.741 123.716 119.914 0.102 0.000 2.487 47 V HA 0.387 4.507 4.120 -0.001 0.000 0.298 47 V C -0.414 175.650 176.094 -0.049 0.000 1.028 47 V CA -0.192 62.090 62.300 -0.029 0.000 0.860 47 V CB 1.326 33.063 31.823 -0.143 0.000 0.991 47 V HN 0.745 nan 8.190 nan 0.000 0.427 48 I N 3.641 124.141 120.570 -0.117 0.000 2.321 48 I HA 0.346 4.515 4.170 -0.001 0.000 0.291 48 I C -0.351 175.629 176.117 -0.228 0.000 0.998 48 I CA -0.267 60.920 61.300 -0.188 0.000 1.227 48 I CB 1.487 39.355 38.000 -0.220 0.000 1.368 48 I HN 0.588 nan 8.210 nan 0.000 0.466 49 D N 6.799 127.120 120.400 -0.132 0.000 2.428 49 D HA 0.354 4.993 4.640 -0.001 0.000 0.221 49 D C -0.191 176.108 176.300 -0.003 0.000 1.123 49 D CA -0.319 53.716 54.000 0.059 0.000 0.869 49 D CB 1.242 42.095 40.800 0.088 0.000 1.032 49 D HN 0.573 nan 8.370 nan 0.000 0.506 50 A N 3.860 126.616 122.820 -0.107 0.000 2.774 50 A HA 0.626 4.946 4.320 -0.001 0.000 0.326 50 A C 0.755 178.394 177.584 0.091 0.000 1.478 50 A CA -0.320 51.644 52.037 -0.121 0.000 1.099 50 A CB 0.034 18.765 19.000 -0.448 0.000 1.148 50 A HN 0.565 nan 8.150 nan 0.000 0.519 51 G N 0.217 109.104 108.800 0.145 0.000 2.535 51 G HA2 0.394 4.353 3.960 -0.001 0.000 0.303 51 G HA3 0.394 4.353 3.960 -0.001 0.000 0.303 51 G C 1.153 176.136 174.900 0.138 0.000 1.237 51 G CA 0.306 45.503 45.100 0.161 0.000 0.986 51 G HN 0.970 nan 8.290 nan 0.000 0.494 52 S N -1.784 113.987 115.700 0.117 0.000 2.423 52 S HA -0.138 4.332 4.470 -0.001 0.000 0.231 52 S C 1.879 176.544 174.600 0.109 0.000 1.014 52 S CA 1.880 60.139 58.200 0.099 0.000 0.965 52 S CB -0.363 62.885 63.200 0.081 0.000 0.785 52 S HN 0.892 nan 8.310 nan 0.000 0.495 53 T N -2.970 111.658 114.554 0.124 0.000 3.010 53 T HA 0.595 4.945 4.350 -0.001 0.000 0.257 53 T C 0.646 175.429 174.700 0.138 0.000 1.020 53 T CA 0.225 62.400 62.100 0.125 0.000 0.938 53 T CB 0.600 69.542 68.868 0.124 0.000 1.049 53 T HN 0.727 nan 8.240 nan 0.000 0.522 54 G N -0.077 108.815 108.800 0.154 0.000 2.451 54 G HA2 0.501 4.461 3.960 -0.001 0.000 0.292 54 G HA3 0.501 4.461 3.960 -0.001 0.000 0.292 54 G C -1.755 173.242 174.900 0.162 0.000 1.427 54 G CA -0.725 44.471 45.100 0.161 0.000 0.792 54 G HN 0.174 nan 8.290 nan 0.000 0.498 55 S N -0.656 115.126 115.700 0.137 0.000 2.513 55 S HA 0.820 5.289 4.470 -0.001 0.000 0.299 55 S C -0.588 173.972 174.600 -0.068 0.000 1.087 55 S CA -0.698 57.539 58.200 0.061 0.000 1.012 55 S CB 1.920 65.208 63.200 0.147 0.000 1.044 55 S HN 0.563 nan 8.310 nan 0.000 0.485 56 R N 1.604 122.031 120.500 -0.122 0.000 2.473 56 R HA 0.456 4.795 4.340 -0.001 0.000 0.303 56 R C -1.339 174.724 176.300 -0.395 0.000 1.002 56 R CA -0.518 55.417 56.100 -0.274 0.000 0.884 56 R CB 0.996 31.159 30.300 -0.230 0.000 1.173 56 R HN 0.532 nan 8.270 nan 0.000 0.464 57 L N 3.027 124.015 121.223 -0.392 0.000 2.305 57 L HA 0.428 4.768 4.340 -0.001 0.000 0.281 57 L C -0.926 175.647 176.870 -0.495 0.000 1.085 57 L CA 0.092 54.750 54.840 -0.303 0.000 0.813 57 L CB 0.396 42.391 42.059 -0.107 0.000 1.157 57 L HN 0.649 nan 8.230 nan 0.000 0.436 58 H N 5.146 124.120 119.070 -0.161 0.000 2.658 58 H HA 0.537 5.092 4.556 -0.000 0.000 0.337 58 H C -0.836 174.324 175.328 -0.280 0.000 1.009 58 H CA -0.416 55.434 56.048 -0.329 0.000 1.231 58 H CB 1.337 30.786 29.762 -0.522 0.000 1.508 58 H HN 0.546 nan 8.280 nan 0.000 0.517 59 I N 4.080 124.597 120.570 -0.089 0.000 2.339 59 I HA 0.230 4.400 4.170 -0.001 0.000 0.290 59 I C -0.834 175.210 176.117 -0.121 0.000 0.994 59 I CA -0.613 60.706 61.300 0.032 0.000 1.191 59 I CB 0.627 38.760 38.000 0.221 0.000 1.343 59 I HN 0.480 nan 8.210 nan 0.000 0.458 60 Y N 3.591 123.983 120.300 0.154 0.000 2.429 60 Y HA 0.418 4.968 4.550 -0.000 0.000 0.342 60 Y C 0.524 176.532 175.900 0.182 0.000 1.004 60 Y CA -0.801 57.376 58.100 0.128 0.000 1.075 60 Y CB 2.011 40.508 38.460 0.062 0.000 1.214 60 Y HN 0.527 nan 8.280 nan 0.000 0.455 61 S N 2.741 118.617 115.700 0.293 0.000 2.578 61 S HA 0.806 5.275 4.470 -0.001 0.000 0.283 61 S C -1.180 173.552 174.600 0.219 0.000 1.195 61 S CA -0.620 57.685 58.200 0.174 0.000 1.050 61 S CB 0.920 64.140 63.200 0.033 0.000 1.012 61 S HN 0.663 nan 8.310 nan 0.000 0.511 62 Y N -1.608 118.728 120.300 0.060 0.000 2.670 62 Y HA 0.765 5.315 4.550 -0.000 0.000 0.334 62 Y C -1.418 174.547 175.900 0.107 0.000 1.185 62 Y CA -1.265 56.857 58.100 0.038 0.000 1.053 62 Y CB 0.758 39.209 38.460 -0.016 0.000 1.298 62 Y HN 0.485 nan 8.280 nan 0.000 0.459 63 D N 0.210 120.724 120.400 0.190 0.000 2.414 63 D HA 0.505 5.145 4.640 -0.001 0.000 0.241 63 D C -1.068 175.351 176.300 0.198 0.000 1.008 63 D CA -0.504 53.576 54.000 0.134 0.000 1.001 63 D CB 2.270 43.176 40.800 0.177 0.000 1.277 63 D HN 0.627 nan 8.370 nan 0.000 0.538 64 T N 0.537 115.174 114.554 0.138 0.000 2.829 64 T HA 0.363 4.713 4.350 -0.001 0.000 0.280 64 T C -0.142 174.607 174.700 0.081 0.000 0.999 64 T CA -0.801 61.380 62.100 0.135 0.000 0.983 64 T CB 1.484 70.435 68.868 0.138 0.000 0.968 64 T HN 0.384 nan 8.240 nan 0.000 0.446 65 D N 0.574 121.028 120.400 0.090 0.000 2.469 65 D HA 0.139 4.779 4.640 -0.001 0.000 0.278 65 D C 0.657 177.003 176.300 0.077 0.000 1.231 65 D CA -0.638 53.413 54.000 0.085 0.000 1.075 65 D CB 0.236 41.108 40.800 0.122 0.000 1.121 65 D HN 0.564 nan 8.370 nan 0.000 0.571 66 D N -3.199 117.244 120.400 0.072 0.000 2.340 66 D HA -0.019 4.620 4.640 -0.001 0.000 0.220 66 D C 1.128 177.461 176.300 0.055 0.000 1.039 66 D CA 0.471 54.504 54.000 0.055 0.000 0.866 66 D CB -0.285 40.541 40.800 0.044 0.000 0.913 66 D HN 0.401 nan 8.370 nan 0.000 0.523 67 T N -3.679 110.919 114.554 0.074 0.000 3.086 67 T HA 0.061 4.410 4.350 -0.001 0.000 0.250 67 T C 0.896 175.610 174.700 0.023 0.000 1.074 67 T CA -0.188 61.947 62.100 0.059 0.000 0.988 67 T CB -0.301 68.624 68.868 0.095 0.000 0.988 67 T HN 0.086 nan 8.240 nan 0.000 0.530 68 N N 0.592 119.308 118.700 0.027 0.000 2.815 68 N HA -0.134 4.606 4.740 -0.001 0.000 0.249 68 N C -1.147 174.341 175.510 -0.037 0.000 1.114 68 N CA 1.000 54.054 53.050 0.006 0.000 0.717 68 N CB -1.758 36.727 38.487 -0.003 0.000 1.074 68 N HN 0.604 nan 8.380 nan 0.000 0.555 69 T N 1.058 115.584 114.554 -0.048 0.000 2.792 69 T HA 0.496 4.846 4.350 -0.001 0.000 0.280 69 T C -2.593 172.069 174.700 -0.063 0.000 0.990 69 T CA -1.163 60.827 62.100 -0.183 0.000 0.960 69 T CB 2.173 70.715 68.868 -0.544 0.000 0.939 69 T HN -0.069 nan 8.240 nan 0.000 0.439 70 P HA 0.204 nan 4.420 nan 0.000 0.265 70 P C -0.498 176.853 177.300 0.086 0.000 1.187 70 P CA -0.038 63.038 63.100 -0.039 0.000 0.766 70 P CB 0.237 31.724 31.700 -0.356 0.000 0.820 71 I N -2.180 118.456 120.570 0.109 0.000 3.191 71 I HA 0.500 4.670 4.170 -0.001 0.000 0.313 71 I C -0.481 175.638 176.117 0.003 0.000 1.193 71 I CA -1.300 60.033 61.300 0.055 0.000 0.968 71 I CB 1.644 39.523 38.000 -0.202 0.000 1.262 71 I HN 0.450 nan 8.210 nan 0.000 0.456 72 H N 1.040 120.249 119.070 0.231 0.000 2.655 72 H HA -0.120 4.436 4.556 -0.001 0.000 0.313 72 H C -0.547 174.859 175.328 0.131 0.000 1.141 72 H CA 0.331 56.471 56.048 0.152 0.000 1.138 72 H CB -1.724 28.084 29.762 0.078 0.000 1.446 72 H HN 0.417 nan 8.280 nan 0.000 0.415 73 I N 2.293 123.004 120.570 0.235 0.000 2.581 73 I HA -0.009 4.160 4.170 -0.001 0.000 0.285 73 I C 0.490 176.708 176.117 0.170 0.000 1.129 73 I CA 0.680 62.040 61.300 0.099 0.000 1.397 73 I CB 0.306 38.145 38.000 -0.268 0.000 1.399 73 I HN 0.239 nan 8.210 nan 0.000 0.537 74 E N 6.686 127.011 120.200 0.208 0.000 2.210 74 E HA 0.239 4.589 4.350 -0.001 0.000 0.266 74 E C -0.754 176.013 176.600 0.279 0.000 0.883 74 E CA -0.718 55.803 56.400 0.202 0.000 0.761 74 E CB 2.155 31.910 29.700 0.092 0.000 1.156 74 E HN 0.498 nan 8.360 nan 0.000 0.412 75 E N 3.732 124.073 120.200 0.234 0.000 2.180 75 E HA 0.104 4.454 4.350 -0.001 0.000 0.283 75 E C 0.856 177.481 176.600 0.043 0.000 1.061 75 E CA -0.086 56.327 56.400 0.023 0.000 0.861 75 E CB 0.340 29.998 29.700 -0.070 0.000 1.056 75 E HN 0.619 nan 8.360 nan 0.000 0.407 76 I N 1.912 122.521 120.570 0.065 0.000 3.708 76 I HA 0.393 4.563 4.170 -0.001 0.000 0.302 76 I C -0.003 176.261 176.117 0.246 0.000 1.255 76 I CA -0.336 61.044 61.300 0.134 0.000 1.362 76 I CB 0.310 38.391 38.000 0.136 0.000 1.100 76 I HN 0.387 nan 8.210 nan 0.000 0.434 77 W N 1.719 122.989 121.300 -0.050 0.000 3.118 77 W HA 0.564 5.223 4.660 -0.001 0.000 0.328 77 W C -1.620 174.840 176.519 -0.097 0.000 1.239 77 W CA -0.691 56.629 57.345 -0.041 0.000 1.176 77 W CB 1.386 30.849 29.460 0.004 0.000 1.433 77 W HN -0.086 nan 8.180 nan 0.000 0.562 78 N N 3.755 122.093 118.700 -0.603 0.000 2.431 78 N HA 0.336 5.075 4.740 -0.001 0.000 0.275 78 N C -2.153 172.855 175.510 -0.837 0.000 1.091 78 N CA -0.509 52.204 53.050 -0.562 0.000 0.922 78 N CB 2.128 40.391 38.487 -0.374 0.000 1.666 78 N HN 0.394 nan 8.380 nan 0.000 0.484 79 K N 1.824 121.861 120.400 -0.606 0.000 2.513 79 K HA 0.486 4.805 4.320 -0.001 0.000 0.251 79 K C -1.740 174.657 176.600 -0.340 0.000 0.939 79 K CA -0.621 55.362 56.287 -0.506 0.000 0.793 79 K CB 1.322 33.566 32.500 -0.426 0.000 1.241 79 K HN 0.467 nan 8.250 nan 0.000 0.431 80 K N 4.578 124.821 120.400 -0.261 0.000 2.426 80 K HA 0.585 4.905 4.320 -0.001 0.000 0.254 80 K C -1.624 174.887 176.600 -0.149 0.000 0.936 80 K CA -0.629 55.546 56.287 -0.187 0.000 0.801 80 K CB 1.033 33.448 32.500 -0.143 0.000 1.139 80 K HN 0.710 nan 8.250 nan 0.000 0.424 81 I N 2.806 123.289 120.570 -0.146 0.000 2.689 81 I HA 0.517 4.687 4.170 -0.001 0.000 0.299 81 I C -1.178 174.922 176.117 -0.028 0.000 1.059 81 I CA -0.762 60.448 61.300 -0.149 0.000 1.055 81 I CB 1.630 39.413 38.000 -0.363 0.000 1.243 81 I HN 0.641 nan 8.210 nan 0.000 0.425 82 K N 6.655 127.075 120.400 0.033 0.000 2.281 82 K HA 0.601 4.920 4.320 -0.001 0.000 0.242 82 K C -2.490 174.231 176.600 0.202 0.000 0.971 82 K CA -1.513 54.851 56.287 0.127 0.000 0.834 82 K CB 1.747 34.302 32.500 0.092 0.000 1.181 82 K HN 0.410 nan 8.250 nan 0.000 0.435 83 P HA 0.122 nan 4.420 nan 0.000 0.323 83 P C -0.094 177.374 177.300 0.280 0.000 1.309 83 P CA -0.384 62.838 63.100 0.203 0.000 0.739 83 P CB 0.014 31.798 31.700 0.140 0.000 1.454 84 G N -1.318 107.597 108.800 0.191 0.000 2.544 84 G HA2 0.029 3.988 3.960 -0.001 0.000 0.242 84 G HA3 0.029 3.988 3.960 -0.001 0.000 0.242 84 G C 0.411 175.387 174.900 0.127 0.000 1.247 84 G CA -0.400 44.817 45.100 0.195 0.000 0.840 84 G HN 0.355 nan 8.290 nan 0.000 0.578 85 F N 2.359 122.262 119.950 -0.078 0.000 2.091 85 F HA -0.183 4.343 4.527 -0.001 0.000 0.299 85 F C 2.638 178.218 175.800 -0.366 0.000 1.103 85 F CA 1.975 59.789 58.000 -0.309 0.000 1.228 85 F CB -0.290 38.649 39.000 -0.102 0.000 0.984 85 F HN 0.413 nan 8.300 nan 0.000 0.477 86 A N -1.561 121.087 122.820 -0.287 0.000 2.209 86 A HA -0.019 4.300 4.320 -0.001 0.000 0.212 86 A C 2.096 179.587 177.584 -0.155 0.000 1.158 86 A CA 1.413 53.191 52.037 -0.432 0.000 0.742 86 A CB -0.762 18.098 19.000 -0.232 0.000 0.790 86 A HN 0.349 nan 8.150 nan 0.000 0.472 87 S N -0.516 115.133 115.700 -0.084 0.000 2.535 87 S HA 0.251 4.721 4.470 -0.001 0.000 0.214 87 S C 0.751 175.340 174.600 -0.018 0.000 0.980 87 S CA -0.062 58.128 58.200 -0.016 0.000 0.907 87 S CB -0.345 62.868 63.200 0.022 0.000 0.790 87 S HN 0.704 nan 8.310 nan 0.000 0.510 88 I N -0.151 120.380 120.570 -0.066 0.000 2.664 88 I HA 0.437 4.607 4.170 -0.001 0.000 0.308 88 I C -0.013 176.057 176.117 -0.078 0.000 0.984 88 I CA -0.939 60.316 61.300 -0.076 0.000 1.213 88 I CB 0.883 38.784 38.000 -0.165 0.000 1.379 88 I HN -0.091 nan 8.210 nan 0.000 0.501 89 Q N 5.287 125.022 119.800 -0.108 0.000 2.289 89 Q HA 0.230 4.570 4.340 -0.001 0.000 0.273 89 Q C -2.162 173.643 176.000 -0.324 0.000 1.029 89 Q CA -1.553 54.145 55.803 -0.175 0.000 0.896 89 Q CB 0.715 29.381 28.738 -0.119 0.000 1.182 89 Q HN 0.449 nan 8.270 nan 0.000 0.385 90 P HA 0.092 nan 4.420 nan 0.000 0.231 90 P C -1.647 175.412 177.300 -0.401 0.000 1.811 90 P CA -0.145 62.477 63.100 -0.797 0.000 1.051 90 P CB -0.320 30.538 31.700 -1.403 0.000 1.951 91 N N -1.223 117.330 118.700 -0.245 0.000 2.469 91 N HA 0.225 4.965 4.740 -0.001 0.000 0.286 91 N C 0.711 176.178 175.510 -0.071 0.000 1.275 91 N CA -0.968 51.998 53.050 -0.140 0.000 0.790 91 N CB 0.265 38.688 38.487 -0.107 0.000 1.446 91 N HN -0.245 nan 8.380 nan 0.000 0.501 92 S N -0.489 115.194 115.700 -0.028 0.000 2.356 92 S HA -0.141 4.329 4.470 -0.001 0.000 0.223 92 S C 1.814 176.460 174.600 0.077 0.000 1.032 92 S CA 1.690 59.918 58.200 0.047 0.000 1.005 92 S CB -0.806 62.416 63.200 0.036 0.000 0.867 92 S HN 0.547 nan 8.310 nan 0.000 0.449 93 V N 1.223 121.163 119.914 0.044 0.000 2.295 93 V HA -0.182 3.937 4.120 -0.001 0.000 0.246 93 V C 2.309 178.439 176.094 0.059 0.000 1.049 93 V CA 2.150 64.486 62.300 0.059 0.000 1.024 93 V CB -2.009 29.836 31.823 0.036 0.000 0.648 93 V HN 0.423 nan 8.190 nan 0.000 0.447 94 T N 1.116 115.686 114.554 0.025 0.000 2.737 94 T HA -0.017 4.333 4.350 -0.001 0.000 0.265 94 T C 1.983 176.715 174.700 0.052 0.000 1.038 94 T CA 1.807 63.923 62.100 0.026 0.000 1.144 94 T CB -0.300 68.550 68.868 -0.030 0.000 0.866 94 T HN 0.277 nan 8.240 nan 0.000 0.434 95 I N 1.979 122.563 120.570 0.024 0.000 2.226 95 I HA -0.132 4.037 4.170 -0.001 0.000 0.245 95 I C 2.407 178.506 176.117 -0.032 0.000 1.100 95 I CA 1.402 62.729 61.300 0.045 0.000 1.374 95 I CB -1.313 36.721 38.000 0.057 0.000 1.057 95 I HN 0.284 nan 8.210 nan 0.000 0.413 96 D N 0.948 121.373 120.400 0.042 0.000 2.104 96 D HA -0.158 4.482 4.640 -0.001 0.000 0.194 96 D C 2.213 178.556 176.300 0.073 0.000 0.994 96 D CA 1.726 55.786 54.000 0.100 0.000 0.830 96 D CB 0.123 41.117 40.800 0.323 0.000 0.959 96 D HN 0.252 nan 8.370 nan 0.000 0.452 97 A N -0.722 122.158 122.820 0.100 0.000 1.883 97 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 97 A C 2.298 179.932 177.584 0.083 0.000 1.186 97 A CA 1.727 53.823 52.037 0.098 0.000 0.624 97 A CB -1.471 17.590 19.000 0.102 0.000 0.822 97 A HN 0.530 nan 8.150 nan 0.000 0.444 98 Y N 0.387 120.665 120.300 -0.038 0.000 2.097 98 Y HA -0.180 4.369 4.550 -0.001 0.000 0.282 98 Y C 2.095 177.909 175.900 -0.143 0.000 1.152 98 Y CA 2.157 60.236 58.100 -0.035 0.000 1.136 98 Y CB -0.256 38.233 38.460 0.049 0.000 0.975 98 Y HN 0.220 nan 8.280 nan 0.000 0.498 99 L N -1.340 119.763 121.223 -0.199 0.000 2.156 99 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 99 L C 2.246 178.831 176.870 -0.475 0.000 1.095 99 L CA 1.452 55.928 54.840 -0.606 0.000 0.770 99 L CB -0.836 40.323 42.059 -1.500 0.000 0.914 99 L HN 0.200 nan 8.230 nan 0.000 0.439 100 T N -0.128 114.307 114.554 -0.198 0.000 2.737 100 T HA -0.254 4.096 4.350 -0.001 0.000 0.265 100 T C 1.872 176.595 174.700 0.038 0.000 1.038 100 T CA 1.592 63.747 62.100 0.092 0.000 1.144 100 T CB -0.189 68.795 68.868 0.194 0.000 0.866 100 T HN 0.265 nan 8.240 nan 0.000 0.434 101 M N 0.421 120.006 119.600 -0.026 0.000 2.149 101 M HA -0.084 4.395 4.480 -0.001 0.000 0.261 101 M C 1.983 178.244 176.300 -0.067 0.000 1.064 101 M CA 1.444 56.718 55.300 -0.042 0.000 1.102 101 M CB -0.159 32.389 32.600 -0.087 0.000 1.369 101 M HN 0.179 nan 8.290 nan 0.000 0.408 102 L N -0.269 120.862 121.223 -0.153 0.000 2.131 102 L HA 0.008 4.348 4.340 -0.001 0.000 0.206 102 L C 1.561 178.446 176.870 0.025 0.000 1.087 102 L CA 1.762 56.516 54.840 -0.142 0.000 0.767 102 L CB -0.099 41.807 42.059 -0.256 0.000 0.917 102 L HN 0.390 nan 8.230 nan 0.000 0.441 103 L N -2.473 118.770 121.223 0.033 0.000 2.766 103 L HA 0.299 4.639 4.340 -0.001 0.000 0.241 103 L C 2.313 179.387 176.870 0.339 0.000 1.080 103 L CA 0.583 55.498 54.840 0.126 0.000 0.909 103 L CB -0.492 41.430 42.059 -0.228 0.000 1.277 103 L HN 0.079 nan 8.230 nan 0.000 0.510 104 A N 1.180 124.162 122.820 0.269 0.000 1.908 104 A HA -0.239 4.080 4.320 -0.001 0.000 0.218 104 A C 1.720 179.399 177.584 0.160 0.000 1.181 104 A CA 2.112 54.297 52.037 0.247 0.000 0.627 104 A CB -0.555 18.561 19.000 0.194 0.000 0.818 104 A HN 0.589 nan 8.150 nan 0.000 0.445 105 D N 0.055 120.556 120.400 0.169 0.000 2.319 105 D HA 0.312 4.952 4.640 -0.001 0.000 0.230 105 D C 0.552 176.696 176.300 -0.260 0.000 1.094 105 D CA 0.492 54.547 54.000 0.090 0.000 0.856 105 D CB -0.514 40.433 40.800 0.246 0.000 0.915 105 D HN 0.368 nan 8.370 nan 0.000 0.517 106 A N 2.479 125.047 122.820 -0.421 0.000 2.520 106 A HA 0.274 4.594 4.320 -0.001 0.000 0.245 106 A C -1.484 175.677 177.584 -0.705 0.000 1.072 106 A CA -0.953 50.450 52.037 -1.057 0.000 0.761 106 A CB 0.326 19.204 19.000 -0.204 0.000 1.004 106 A HN 0.065 nan 8.150 nan 0.000 0.499 107 P HA 0.265 nan 4.420 nan 0.000 0.253 107 P C -0.638 176.524 177.300 -0.229 0.000 1.508 107 P CA 0.417 63.278 63.100 -0.397 0.000 0.883 107 P CB -0.302 31.175 31.700 -0.372 0.000 1.519 108 I N 0.059 120.472 120.570 -0.263 0.000 2.610 108 I HA 0.309 4.479 4.170 -0.001 0.000 0.289 108 I C -0.835 175.069 176.117 -0.355 0.000 1.163 108 I CA -0.869 60.319 61.300 -0.187 0.000 1.044 108 I CB 1.758 39.663 38.000 -0.157 0.000 1.251 108 I HN -0.131 nan 8.210 nan 0.000 0.424 109 H N 5.887 124.744 119.070 -0.356 0.000 2.502 109 H HA 0.566 5.122 4.556 -0.001 0.000 0.338 109 H C -0.161 174.986 175.328 -0.303 0.000 1.155 109 H CA -0.599 55.213 56.048 -0.393 0.000 1.237 109 H CB 0.841 30.439 29.762 -0.273 0.000 1.534 109 H HN 0.462 nan 8.280 nan 0.000 0.523 110 N N 0.892 119.466 118.700 -0.209 0.000 2.671 110 N HA -0.225 4.515 4.740 -0.001 0.000 0.261 110 N C -0.916 174.551 175.510 -0.072 0.000 1.053 110 N CA 0.620 53.604 53.050 -0.110 0.000 0.732 110 N CB -0.809 37.649 38.487 -0.049 0.000 0.887 110 N HN 0.549 nan 8.380 nan 0.000 0.546 111 I N -0.039 120.484 120.570 -0.078 0.000 2.545 111 I HA 0.444 4.614 4.170 -0.001 0.000 0.292 111 I C -2.350 173.859 176.117 0.154 0.000 1.040 111 I CA -2.249 59.076 61.300 0.041 0.000 1.068 111 I CB 2.460 40.480 38.000 0.033 0.000 1.251 111 I HN -0.169 nan 8.210 nan 0.000 0.424 112 P HA 0.153 nan 4.420 nan 0.000 0.271 112 P C -1.285 176.132 177.300 0.195 0.000 1.216 112 P CA -0.071 63.110 63.100 0.135 0.000 0.776 112 P CB 0.810 32.592 31.700 0.137 0.000 0.881 113 V N 3.671 123.624 119.914 0.066 0.000 2.588 113 V HA 0.372 4.491 4.120 -0.001 0.000 0.304 113 V C -0.761 175.195 176.094 -0.231 0.000 1.042 113 V CA -0.675 61.657 62.300 0.053 0.000 0.877 113 V CB 1.248 33.100 31.823 0.049 0.000 0.996 113 V HN 0.382 nan 8.190 nan 0.000 0.425 114 Y N 3.602 123.793 120.300 -0.182 0.000 2.331 114 Y HA 0.561 5.111 4.550 -0.001 0.000 0.338 114 Y C -0.421 175.307 175.900 -0.286 0.000 0.992 114 Y CA -0.488 57.394 58.100 -0.363 0.000 1.121 114 Y CB 1.820 39.838 38.460 -0.736 0.000 1.184 114 Y HN 0.674 nan 8.280 nan 0.000 0.469 115 F N 5.039 124.892 119.950 -0.163 0.000 2.332 115 F HA 0.458 4.985 4.527 -0.001 0.000 0.368 115 F C -1.677 174.298 175.800 0.292 0.000 1.110 115 F CA -0.869 57.122 58.000 -0.014 0.000 1.087 115 F CB 0.312 39.267 39.000 -0.074 0.000 1.235 115 F HN 0.334 nan 8.300 nan 0.000 0.470 116 Y N 5.178 125.419 120.300 -0.097 0.000 2.376 116 Y HA 0.621 5.171 4.550 -0.001 0.000 0.326 116 Y C 0.156 176.079 175.900 0.038 0.000 0.970 116 Y CA -1.699 56.476 58.100 0.125 0.000 1.248 116 Y CB 1.090 39.746 38.460 0.327 0.000 1.117 116 Y HN 0.698 nan 8.280 nan 0.000 0.476 117 A N 2.528 125.501 122.820 0.255 0.000 2.293 117 A HA 0.769 5.089 4.320 -0.001 0.000 0.302 117 A C 0.655 178.326 177.584 0.145 0.000 1.119 117 A CA 0.161 52.310 52.037 0.188 0.000 0.823 117 A CB 0.660 19.867 19.000 0.346 0.000 1.097 117 A HN 0.733 nan 8.150 nan 0.000 0.491 118 T N -1.872 112.741 114.554 0.098 0.000 2.548 118 T HA 0.576 4.926 4.350 -0.001 0.000 0.214 118 T C 1.559 176.273 174.700 0.022 0.000 0.873 118 T CA 0.485 62.589 62.100 0.007 0.000 1.180 118 T CB -0.083 68.738 68.868 -0.078 0.000 1.960 118 T HN 1.181 nan 8.240 nan 0.000 0.505 119 A N 0.519 123.342 122.820 0.005 0.000 1.972 119 A HA 0.227 4.546 4.320 -0.001 0.000 0.219 119 A C 2.437 180.042 177.584 0.034 0.000 1.169 119 A CA 1.998 54.044 52.037 0.014 0.000 0.635 119 A CB -1.845 17.164 19.000 0.014 0.000 0.810 119 A HN 0.997 nan 8.150 nan 0.000 0.446 120 G N -0.674 108.154 108.800 0.047 0.000 2.476 120 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.218 120 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.218 120 G C 1.488 176.402 174.900 0.023 0.000 1.164 120 G CA 1.613 46.739 45.100 0.042 0.000 0.768 120 G HN 0.434 nan 8.290 nan 0.000 0.560 121 M N 0.241 119.863 119.600 0.037 0.000 2.288 121 M HA 0.208 4.687 4.480 -0.001 0.000 0.266 121 M C 2.489 178.820 176.300 0.052 0.000 1.072 121 M CA 0.737 56.054 55.300 0.028 0.000 1.132 121 M CB -0.153 32.511 32.600 0.107 0.000 1.386 121 M HN 0.101 nan 8.290 nan 0.000 0.432 122 R N -0.430 120.101 120.500 0.051 0.000 2.120 122 R HA -0.083 4.256 4.340 -0.001 0.000 0.234 122 R C 1.837 178.157 176.300 0.035 0.000 1.123 122 R CA 1.229 57.352 56.100 0.039 0.000 0.975 122 R CB -0.741 29.569 30.300 0.018 0.000 0.866 122 R HN 0.391 nan 8.270 nan 0.000 0.446 123 L N 1.035 122.278 121.223 0.033 0.000 2.549 123 L HA -0.006 4.334 4.340 -0.001 0.000 0.229 123 L C 0.770 177.660 176.870 0.032 0.000 1.158 123 L CA 0.430 55.290 54.840 0.034 0.000 0.842 123 L CB -0.215 41.866 42.059 0.037 0.000 0.952 123 L HN 0.063 nan 8.230 nan 0.000 0.452 124 L N 0.814 122.056 121.223 0.032 0.000 2.322 124 L HA 0.390 4.729 4.340 -0.001 0.000 0.279 124 L C -2.000 174.900 176.870 0.050 0.000 1.036 124 L CA -2.149 52.714 54.840 0.038 0.000 0.807 124 L CB 0.967 43.045 42.059 0.032 0.000 1.226 124 L HN -0.205 nan 8.230 nan 0.000 0.433 125 P HA -0.023 nan 4.420 nan 0.000 0.268 125 P C -0.030 177.312 177.300 0.070 0.000 1.208 125 P CA -0.222 62.908 63.100 0.049 0.000 0.777 125 P CB 0.893 32.617 31.700 0.040 0.000 0.875 126 Q N 2.187 122.028 119.800 0.069 0.000 2.173 126 Q HA -0.209 4.131 4.340 -0.001 0.000 0.208 126 Q C 2.122 178.182 176.000 0.101 0.000 0.989 126 Q CA 2.681 58.539 55.803 0.091 0.000 0.872 126 Q CB -1.024 27.754 28.738 0.067 0.000 0.909 126 Q HN 0.643 nan 8.270 nan 0.000 0.420 127 S N -1.391 114.352 115.700 0.073 0.000 2.406 127 S HA -0.135 4.335 4.470 -0.001 0.000 0.228 127 S C 1.886 176.525 174.600 0.066 0.000 1.020 127 S CA 0.988 59.226 58.200 0.063 0.000 0.965 127 S CB -0.198 63.026 63.200 0.039 0.000 0.798 127 S HN 0.293 nan 8.310 nan 0.000 0.488 128 Q N 1.501 121.346 119.800 0.074 0.000 2.049 128 Q HA 0.029 4.368 4.340 -0.001 0.000 0.198 128 Q C 2.341 178.443 176.000 0.170 0.000 0.971 128 Q CA 1.730 57.585 55.803 0.087 0.000 0.833 128 Q CB -0.581 28.212 28.738 0.092 0.000 0.896 128 Q HN 0.743 nan 8.270 nan 0.000 0.434 129 Q N 0.084 119.993 119.800 0.183 0.000 2.112 129 Q HA -0.235 4.105 4.340 -0.001 0.000 0.206 129 Q C 2.015 178.172 176.000 0.263 0.000 0.987 129 Q CA 1.621 57.555 55.803 0.219 0.000 0.858 129 Q CB -0.274 28.626 28.738 0.270 0.000 0.905 129 Q HN 0.300 nan 8.270 nan 0.000 0.420 130 K N 1.272 121.817 120.400 0.241 0.000 2.113 130 K HA -0.206 4.114 4.320 -0.001 0.000 0.208 130 K C 1.840 178.530 176.600 0.150 0.000 1.047 130 K CA 1.371 57.795 56.287 0.229 0.000 0.928 130 K CB 0.093 32.681 32.500 0.147 0.000 0.716 130 K HN 0.079 nan 8.250 nan 0.000 0.446 131 K N -0.604 119.825 120.400 0.049 0.000 2.057 131 K HA -0.166 4.154 4.320 -0.001 0.000 0.207 131 K C 2.122 178.640 176.600 -0.137 0.000 1.049 131 K CA 1.727 57.965 56.287 -0.082 0.000 0.931 131 K CB -0.243 32.132 32.500 -0.208 0.000 0.714 131 K HN 0.187 nan 8.250 nan 0.000 0.440 132 Y N -0.364 119.831 120.300 -0.174 0.000 2.145 132 Y HA -0.248 4.301 4.550 -0.000 0.000 0.286 132 Y C 2.219 178.067 175.900 -0.088 0.000 1.145 132 Y CA 1.458 59.385 58.100 -0.289 0.000 1.148 132 Y CB -0.475 37.626 38.460 -0.598 0.000 0.981 132 Y HN 0.062 nan 8.280 nan 0.000 0.507 133 Y N -0.082 120.394 120.300 0.294 0.000 2.314 133 Y HA -0.184 4.366 4.550 -0.001 0.000 0.293 133 Y C 2.073 178.073 175.900 0.167 0.000 1.129 133 Y CA 0.796 59.026 58.100 0.217 0.000 1.201 133 Y CB -0.725 37.849 38.460 0.191 0.000 0.999 133 Y HN 0.147 nan 8.280 nan 0.000 0.541 134 D N 0.049 120.605 120.400 0.261 0.000 2.097 134 D HA -0.152 4.488 4.640 -0.001 0.000 0.195 134 D C 2.002 178.424 176.300 0.204 0.000 0.989 134 D CA 1.349 55.462 54.000 0.189 0.000 0.827 134 D CB -0.105 40.761 40.800 0.110 0.000 0.966 134 D HN 0.329 nan 8.370 nan 0.000 0.456 135 E N 0.508 120.804 120.200 0.160 0.000 2.051 135 E HA -0.125 4.224 4.350 -0.001 0.000 0.192 135 E C 2.399 179.191 176.600 0.319 0.000 0.991 135 E CA 0.199 56.713 56.400 0.190 0.000 0.799 135 E CB -0.452 29.295 29.700 0.078 0.000 0.748 135 E HN 0.302 nan 8.360 nan 0.000 0.449 136 L N 1.193 122.597 121.223 0.302 0.000 2.056 136 L HA -0.166 4.174 4.340 -0.001 0.000 0.207 136 L C 2.264 179.404 176.870 0.450 0.000 1.078 136 L CA 1.422 56.466 54.840 0.340 0.000 0.749 136 L CB -0.059 42.115 42.059 0.192 0.000 0.901 136 L HN 0.060 nan 8.230 nan 0.000 0.433 137 E N -1.038 119.378 120.200 0.360 0.000 2.077 137 E HA -0.302 4.048 4.350 -0.001 0.000 0.193 137 E C 1.964 178.760 176.600 0.327 0.000 0.989 137 E CA 1.787 58.375 56.400 0.313 0.000 0.800 137 E CB -0.304 29.536 29.700 0.234 0.000 0.746 137 E HN 0.609 nan 8.360 nan 0.000 0.452 138 Y N -0.199 120.232 120.300 0.218 0.000 2.145 138 Y HA -0.277 4.273 4.550 -0.001 0.000 0.286 138 Y C 2.079 178.093 175.900 0.190 0.000 1.145 138 Y CA 1.867 60.069 58.100 0.170 0.000 1.148 138 Y CB -0.436 38.101 38.460 0.129 0.000 0.981 138 Y HN 0.147 nan 8.280 nan 0.000 0.507 139 W N 0.132 121.498 121.300 0.110 0.000 2.317 139 W HA -0.304 4.356 4.660 -0.001 0.000 0.318 139 W C 1.874 178.281 176.519 -0.186 0.000 1.227 139 W CA 2.612 59.914 57.345 -0.072 0.000 1.269 139 W CB -0.814 28.610 29.460 -0.060 0.000 1.155 139 W HN 0.125 nan 8.180 nan 0.000 0.484 140 F N 0.315 120.429 119.950 0.273 0.000 2.216 140 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 140 F C 2.451 178.207 175.800 -0.074 0.000 1.085 140 F CA 1.814 59.891 58.000 0.128 0.000 1.326 140 F CB -0.718 38.408 39.000 0.210 0.000 1.027 140 F HN -0.226 nan 8.300 nan 0.000 0.497 141 R N -0.147 120.369 120.500 0.027 0.000 2.193 141 R HA -0.135 4.205 4.340 -0.001 0.000 0.229 141 R C 1.591 177.753 176.300 -0.229 0.000 1.110 141 R CA 0.799 56.846 56.100 -0.088 0.000 0.988 141 R CB -0.268 29.976 30.300 -0.094 0.000 0.871 141 R HN 0.294 nan 8.270 nan 0.000 0.458 142 Q N 0.107 119.665 119.800 -0.404 0.000 2.425 142 Q HA 0.078 4.418 4.340 -0.001 0.000 0.204 142 Q C -0.032 175.731 176.000 -0.395 0.000 0.933 142 Q CA 0.692 56.230 55.803 -0.441 0.000 0.939 142 Q CB 0.567 28.952 28.738 -0.589 0.000 1.044 142 Q HN 0.250 nan 8.270 nan 0.000 0.513 143 Q N 0.075 119.654 119.800 -0.369 0.000 2.341 143 Q HA 0.273 4.612 4.340 -0.001 0.000 0.268 143 Q C 0.433 176.381 176.000 -0.087 0.000 1.013 143 Q CA -0.151 55.486 55.803 -0.276 0.000 0.798 143 Q CB 1.895 30.416 28.738 -0.363 0.000 1.253 143 Q HN 0.133 nan 8.270 nan 0.000 0.457 144 S N 1.063 116.711 115.700 -0.087 0.000 2.470 144 S HA -0.165 4.304 4.470 -0.001 0.000 0.225 144 S C 1.548 176.105 174.600 -0.071 0.000 1.006 144 S CA 0.397 58.568 58.200 -0.048 0.000 0.934 144 S CB 0.135 63.306 63.200 -0.048 0.000 0.778 144 S HN 0.635 nan 8.310 nan 0.000 0.517 145 Q N 0.228 119.930 119.800 -0.163 0.000 2.181 145 Q HA -0.099 4.241 4.340 -0.001 0.000 0.205 145 Q C -0.559 175.129 176.000 -0.520 0.000 0.980 145 Q CA 1.039 56.583 55.803 -0.431 0.000 0.862 145 Q CB 0.002 28.286 28.738 -0.756 0.000 0.905 145 Q HN 0.749 nan 8.270 nan 0.000 0.429 146 W N 1.139 122.458 121.300 0.031 0.000 2.532 146 W HA 0.357 5.016 4.660 -0.001 0.000 0.321 146 W C -0.965 175.653 176.519 0.164 0.000 1.037 146 W CA -0.925 56.519 57.345 0.165 0.000 1.220 146 W CB 1.351 31.058 29.460 0.412 0.000 1.361 146 W HN -0.032 nan 8.180 nan 0.000 0.468 147 Q N 3.921 123.908 119.800 0.311 0.000 2.465 147 Q HA 0.292 4.632 4.340 -0.001 0.000 0.237 147 Q C -0.548 175.491 176.000 0.065 0.000 1.051 147 Q CA -1.019 54.877 55.803 0.154 0.000 0.874 147 Q CB 1.256 30.039 28.738 0.075 0.000 1.207 147 Q HN 0.374 nan 8.270 nan 0.000 0.508 148 L N 3.631 124.855 121.223 0.001 0.000 2.530 148 L HA -0.030 4.310 4.340 -0.001 0.000 0.273 148 L C 0.509 177.240 176.870 -0.231 0.000 1.141 148 L CA 0.663 55.349 54.840 -0.256 0.000 0.905 148 L CB 0.654 42.473 42.059 -0.401 0.000 1.202 148 L HN 0.521 nan 8.230 nan 0.000 0.473 149 V N 4.041 123.724 119.914 -0.386 0.000 2.331 149 V HA 0.074 4.194 4.120 -0.001 0.000 0.242 149 V C 0.608 176.497 176.094 -0.343 0.000 1.034 149 V CA 1.080 63.118 62.300 -0.438 0.000 1.027 149 V CB -0.406 30.900 31.823 -0.862 0.000 0.667 149 V HN 0.850 nan 8.190 nan 0.000 0.457 150 E N -0.956 119.011 120.200 -0.387 0.000 2.343 150 E HA 0.711 5.061 4.350 -0.001 0.000 0.278 150 E C -1.122 175.478 176.600 0.000 0.000 0.910 150 E CA -0.559 55.791 56.400 -0.083 0.000 0.757 150 E CB 2.426 32.227 29.700 0.168 0.000 1.218 150 E HN 0.241 nan 8.360 nan 0.000 0.435 151 A N 2.990 125.836 122.820 0.043 0.000 2.332 151 A HA 0.663 4.983 4.320 -0.001 0.000 0.300 151 A C -0.745 176.808 177.584 -0.051 0.000 1.153 151 A CA -0.625 51.508 52.037 0.159 0.000 0.764 151 A CB 0.694 19.741 19.000 0.078 0.000 1.174 151 A HN 0.659 nan 8.150 nan 0.000 0.467 152 K N 0.127 120.600 120.400 0.121 0.000 2.615 152 K HA 0.592 4.912 4.320 -0.001 0.000 0.291 152 K C -1.286 175.410 176.600 0.160 0.000 1.017 152 K CA -0.743 55.443 56.287 -0.168 0.000 0.882 152 K CB 1.070 33.524 32.500 -0.077 0.000 1.522 152 K HN 0.239 nan 8.250 nan 0.000 0.412 153 T N 2.572 117.209 114.554 0.138 0.000 2.727 153 T HA 0.307 4.657 4.350 -0.001 0.000 0.298 153 T C 0.501 175.211 174.700 0.017 0.000 0.942 153 T CA -0.739 61.475 62.100 0.190 0.000 0.997 153 T CB -0.409 68.600 68.868 0.234 0.000 0.917 153 T HN 0.482 nan 8.240 nan 0.000 0.487 154 I N 1.492 122.026 120.570 -0.059 0.000 2.638 154 I HA 0.416 4.586 4.170 -0.001 0.000 0.286 154 I C 1.026 177.059 176.117 -0.141 0.000 1.088 154 I CA -0.955 60.241 61.300 -0.173 0.000 1.397 154 I CB 0.427 38.261 38.000 -0.276 0.000 1.414 154 I HN 0.501 nan 8.210 nan 0.000 0.566 155 T N 1.988 116.445 114.554 -0.162 0.000 2.802 155 T HA 0.233 4.582 4.350 -0.001 0.000 0.305 155 T C 1.316 175.893 174.700 -0.204 0.000 1.053 155 T CA -0.160 61.842 62.100 -0.163 0.000 1.058 155 T CB 1.176 69.942 68.868 -0.171 0.000 0.988 155 T HN 0.871 nan 8.240 nan 0.000 0.539 156 G N 0.950 109.638 108.800 -0.188 0.000 2.448 156 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.219 156 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.219 156 G C 1.500 176.252 174.900 -0.246 0.000 1.127 156 G CA 0.185 45.168 45.100 -0.195 0.000 0.766 156 G HN 0.746 nan 8.290 nan 0.000 0.552 157 N N 1.344 119.876 118.700 -0.280 0.000 2.120 157 N HA -0.087 4.653 4.740 -0.001 0.000 0.188 157 N C 1.676 176.952 175.510 -0.389 0.000 1.024 157 N CA 1.239 54.090 53.050 -0.332 0.000 0.852 157 N CB -0.327 37.964 38.487 -0.326 0.000 1.003 157 N HN 0.178 nan 8.380 nan 0.000 0.424 158 D N 1.076 121.230 120.400 -0.410 0.000 2.092 158 D HA -0.170 4.470 4.640 -0.001 0.000 0.193 158 D C 1.812 177.648 176.300 -0.772 0.000 0.994 158 D CA 0.941 54.573 54.000 -0.614 0.000 0.828 158 D CB -0.247 40.284 40.800 -0.448 0.000 0.963 158 D HN 0.450 nan 8.370 nan 0.000 0.450 159 E N 0.281 120.201 120.200 -0.465 0.000 2.077 159 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 159 E C 2.001 178.441 176.600 -0.267 0.000 0.989 159 E CA 1.028 57.199 56.400 -0.382 0.000 0.800 159 E CB -0.011 29.433 29.700 -0.427 0.000 0.746 159 E HN 0.174 nan 8.360 nan 0.000 0.452 160 A N 1.180 123.851 122.820 -0.250 0.000 1.908 160 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 160 A C 2.159 179.666 177.584 -0.128 0.000 1.181 160 A CA 1.541 53.491 52.037 -0.146 0.000 0.627 160 A CB -0.801 18.094 19.000 -0.176 0.000 0.818 160 A HN 0.406 nan 8.150 nan 0.000 0.445 161 L N -1.152 119.881 121.223 -0.316 0.000 1.990 161 L HA -0.160 4.179 4.340 -0.001 0.000 0.213 161 L C 2.222 179.037 176.870 -0.092 0.000 1.072 161 L CA 2.262 56.906 54.840 -0.326 0.000 0.755 161 L CB -0.813 40.867 42.059 -0.632 0.000 0.889 161 L HN 0.336 nan 8.230 nan 0.000 0.432 162 F N 0.318 120.282 119.950 0.023 0.000 2.134 162 F HA -0.184 4.343 4.527 0.000 0.000 0.299 162 F C 2.405 178.315 175.800 0.183 0.000 1.097 162 F CA 1.156 59.236 58.000 0.134 0.000 1.264 162 F CB -1.468 37.719 39.000 0.311 0.000 1.001 162 F HN 0.197 nan 8.300 nan 0.000 0.479 163 D N -0.792 119.802 120.400 0.322 0.000 2.106 163 D HA -0.267 4.373 4.640 -0.001 0.000 0.191 163 D C 2.072 178.515 176.300 0.238 0.000 0.997 163 D CA 1.489 55.646 54.000 0.263 0.000 0.834 163 D CB -0.931 39.980 40.800 0.185 0.000 0.956 163 D HN 0.420 nan 8.370 nan 0.000 0.448 164 W N 1.436 122.772 121.300 0.059 0.000 2.335 164 W HA -0.141 4.519 4.660 0.000 0.000 0.311 164 W C 2.261 178.804 176.519 0.041 0.000 1.213 164 W CA 1.232 58.600 57.345 0.038 0.000 1.274 164 W CB -0.429 29.025 29.460 -0.011 0.000 1.148 164 W HN -0.068 nan 8.180 nan 0.000 0.498 165 L N 0.167 121.565 121.223 0.292 0.000 2.046 165 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 165 L C 2.722 179.598 176.870 0.011 0.000 1.077 165 L CA 1.424 56.346 54.840 0.136 0.000 0.747 165 L CB -1.403 40.789 42.059 0.222 0.000 0.896 165 L HN 0.090 nan 8.230 nan 0.000 0.432 166 A N -0.294 122.560 122.820 0.057 0.000 1.877 166 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 166 A C 2.338 179.923 177.584 0.001 0.000 1.186 166 A CA 1.883 53.938 52.037 0.032 0.000 0.620 166 A CB -0.872 18.177 19.000 0.082 0.000 0.822 166 A HN 0.171 nan 8.150 nan 0.000 0.443 167 V N 0.674 120.550 119.914 -0.063 0.000 2.261 167 V HA -0.291 3.829 4.120 -0.001 0.000 0.246 167 V C 2.207 178.112 176.094 -0.316 0.000 1.047 167 V CA 2.429 64.632 62.300 -0.163 0.000 1.015 167 V CB -1.207 30.526 31.823 -0.150 0.000 0.642 167 V HN 0.633 nan 8.190 nan 0.000 0.446 168 N N -1.077 117.346 118.700 -0.461 0.000 2.223 168 N HA -0.189 4.551 4.740 -0.001 0.000 0.185 168 N C 1.704 177.045 175.510 -0.281 0.000 1.016 168 N CA 1.321 54.051 53.050 -0.534 0.000 0.863 168 N CB -0.337 37.587 38.487 -0.938 0.000 0.983 168 N HN 0.639 nan 8.380 nan 0.000 0.429 169 Y N 1.567 121.718 120.300 -0.250 0.000 2.114 169 Y HA -0.229 4.321 4.550 -0.001 0.000 0.284 169 Y C 2.552 178.368 175.900 -0.140 0.000 1.143 169 Y CA 2.406 60.425 58.100 -0.135 0.000 1.135 169 Y CB -0.644 37.760 38.460 -0.094 0.000 0.980 169 Y HN 0.036 nan 8.280 nan 0.000 0.499 170 K N 0.793 121.145 120.400 -0.080 0.000 2.103 170 K HA -0.111 4.208 4.320 -0.001 0.000 0.207 170 K C 1.922 178.375 176.600 -0.246 0.000 1.048 170 K CA 2.069 58.269 56.287 -0.145 0.000 0.930 170 K CB -1.540 30.929 32.500 -0.051 0.000 0.716 170 K HN 0.590 nan 8.250 nan 0.000 0.444 171 L N -0.020 121.024 121.223 -0.297 0.000 2.610 171 L HA 0.047 4.386 4.340 -0.001 0.000 0.232 171 L C 0.712 177.405 176.870 -0.294 0.000 1.149 171 L CA 0.521 55.162 54.840 -0.331 0.000 0.872 171 L CB -0.429 41.334 42.059 -0.494 0.000 0.992 171 L HN 0.547 nan 8.230 nan 0.000 0.447 172 D N 0.535 120.745 120.400 -0.317 0.000 2.737 172 D HA -0.208 4.432 4.640 -0.001 0.000 0.233 172 D C 1.033 177.192 176.300 -0.235 0.000 1.155 172 D CA 1.097 54.919 54.000 -0.296 0.000 0.667 172 D CB -0.469 40.173 40.800 -0.263 0.000 1.060 172 D HN 0.478 nan 8.370 nan 0.000 0.427 173 T N -3.410 110.998 114.554 -0.243 0.000 3.086 173 T HA 0.216 4.566 4.350 -0.001 0.000 0.250 173 T C 2.051 176.670 174.700 -0.134 0.000 1.074 173 T CA -0.159 61.822 62.100 -0.199 0.000 0.988 173 T CB 0.059 68.776 68.868 -0.251 0.000 0.988 173 T HN 0.303 nan 8.240 nan 0.000 0.530 174 L N 0.308 121.471 121.223 -0.099 0.000 2.179 174 L HA 0.163 4.502 4.340 -0.001 0.000 0.208 174 L C 2.402 179.359 176.870 0.146 0.000 1.096 174 L CA 1.035 55.915 54.840 0.065 0.000 0.779 174 L CB -0.202 42.008 42.059 0.253 0.000 0.922 174 L HN 0.203 nan 8.230 nan 0.000 0.443 175 K N -0.851 119.538 120.400 -0.018 0.000 2.525 175 K HA 0.057 4.377 4.320 -0.001 0.000 0.192 175 K C 0.868 177.460 176.600 -0.013 0.000 1.029 175 K CA -0.133 56.126 56.287 -0.047 0.000 1.029 175 K CB 0.218 32.576 32.500 -0.237 0.000 0.814 175 K HN 0.117 nan 8.250 nan 0.000 0.503 182 V N 4.212 124.174 119.914 0.079 0.000 2.370 182 V HA 0.777 4.896 4.120 -0.001 0.000 0.279 182 V C 1.135 177.321 176.094 0.153 0.000 1.029 182 V CA -0.022 62.306 62.300 0.047 0.000 0.870 182 V CB 1.306 33.109 31.823 -0.033 0.000 0.984 182 V HN 0.924 nan 8.190 nan 0.000 0.451 183 G N 3.411 112.133 108.800 -0.131 0.000 2.371 183 G HA2 0.613 4.573 3.960 -0.001 0.000 0.326 183 G HA3 0.613 4.573 3.960 -0.001 0.000 0.326 183 G C -0.993 174.158 174.900 0.419 0.000 1.127 183 G CA -0.426 44.612 45.100 -0.104 0.000 0.885 183 G HN 0.552 nan 8.290 nan 0.000 0.477 184 V N 2.727 123.002 119.914 0.602 0.000 2.604 184 V HA 0.560 4.679 4.120 -0.001 0.000 0.305 184 V C -0.020 176.361 176.094 0.479 0.000 1.043 184 V CA -0.529 62.081 62.300 0.517 0.000 0.888 184 V CB 1.754 33.799 31.823 0.370 0.000 0.995 184 V HN 0.760 nan 8.190 nan 0.000 0.429 185 M N 3.778 123.590 119.600 0.353 0.000 2.253 185 M HA 0.452 4.932 4.480 -0.001 0.000 0.314 185 M C -1.345 175.064 176.300 0.181 0.000 1.019 185 M CA -0.463 54.967 55.300 0.216 0.000 0.932 185 M CB 1.949 34.616 32.600 0.112 0.000 1.606 185 M HN 0.622 nan 8.290 nan 0.000 0.430 186 D N 4.495 124.995 120.400 0.166 0.000 2.303 186 D HA 0.354 4.994 4.640 -0.001 0.000 0.236 186 D C -0.972 175.413 176.300 0.143 0.000 1.068 186 D CA -0.311 53.773 54.000 0.140 0.000 0.830 186 D CB 0.999 41.868 40.800 0.115 0.000 1.109 186 D HN 0.411 nan 8.370 nan 0.000 0.496 187 M N 3.669 123.350 119.600 0.135 0.000 2.365 187 M HA 0.387 4.867 4.480 -0.001 0.000 0.350 187 M C 0.607 177.016 176.300 0.182 0.000 1.274 187 M CA -0.616 54.801 55.300 0.195 0.000 1.252 187 M CB 0.332 33.077 32.600 0.242 0.000 1.297 187 M HN 0.347 nan 8.290 nan 0.000 0.438 188 G N 1.034 109.926 108.800 0.153 0.000 2.537 188 G HA2 0.550 4.510 3.960 -0.001 0.000 0.297 188 G HA3 0.550 4.510 3.960 -0.001 0.000 0.297 188 G C 0.769 175.730 174.900 0.101 0.000 1.310 188 G CA -0.307 44.861 45.100 0.114 0.000 1.027 188 G HN 0.685 nan 8.290 nan 0.000 0.505 189 G N -1.009 107.837 108.800 0.078 0.000 2.403 189 G HA2 0.203 4.163 3.960 -0.001 0.000 0.216 189 G HA3 0.203 4.163 3.960 -0.001 0.000 0.216 189 G C 1.427 176.334 174.900 0.013 0.000 1.154 189 G CA 1.798 46.927 45.100 0.048 0.000 0.784 189 G HN 0.933 nan 8.290 nan 0.000 0.538 190 A N -0.473 122.366 122.820 0.031 0.000 2.070 190 A HA 0.547 4.867 4.320 -0.001 0.000 0.202 190 A C 1.299 178.907 177.584 0.040 0.000 1.277 190 A CA 1.184 53.234 52.037 0.020 0.000 0.872 190 A CB 0.223 19.240 19.000 0.028 0.000 0.933 190 A HN 0.707 nan 8.150 nan 0.000 0.475 191 S N -0.662 115.071 115.700 0.055 0.000 2.599 191 S HA 0.703 5.173 4.470 -0.001 0.000 0.294 191 S C -0.594 174.075 174.600 0.116 0.000 1.094 191 S CA -0.043 58.205 58.200 0.080 0.000 0.931 191 S CB 1.472 64.701 63.200 0.048 0.000 1.093 191 S HN 1.285 nan 8.310 nan 0.000 0.488 192 V N -0.617 119.403 119.914 0.176 0.000 2.715 192 V HA 0.847 4.967 4.120 -0.001 0.000 0.310 192 V C -1.286 174.957 176.094 0.247 0.000 1.054 192 V CA -0.726 61.702 62.300 0.215 0.000 0.928 192 V CB 1.277 33.243 31.823 0.238 0.000 1.007 192 V HN 0.898 nan 8.190 nan 0.000 0.437 193 Q N 2.660 122.581 119.800 0.202 0.000 2.377 193 Q HA 0.769 5.109 4.340 -0.001 0.000 0.271 193 Q C -0.974 175.142 176.000 0.193 0.000 1.077 193 Q CA -0.282 55.616 55.803 0.158 0.000 0.820 193 Q CB 2.690 31.462 28.738 0.057 0.000 1.347 193 Q HN 0.975 nan 8.270 nan 0.000 0.444 194 I N 1.159 121.829 120.570 0.166 0.000 2.769 194 I HA 0.822 4.992 4.170 -0.001 0.000 0.298 194 I C -1.690 174.509 176.117 0.136 0.000 1.128 194 I CA -1.074 60.314 61.300 0.146 0.000 1.031 194 I CB 1.849 39.801 38.000 -0.081 0.000 1.235 194 I HN 0.490 nan 8.210 nan 0.000 0.423 195 V N 8.007 128.067 119.914 0.244 0.000 2.882 195 V HA 0.662 4.781 4.120 -0.001 0.000 0.295 195 V C -1.974 174.240 176.094 0.200 0.000 1.273 195 V CA -0.262 62.048 62.300 0.017 0.000 0.949 195 V CB 1.885 33.695 31.823 -0.023 0.000 1.071 195 V HN 0.722 nan 8.190 nan 0.000 0.432 196 F N 4.137 124.102 119.950 0.025 0.000 2.678 196 F HA 0.913 5.439 4.527 -0.002 0.000 0.308 196 F C -3.101 172.604 175.800 -0.157 0.000 1.118 196 F CA -2.626 55.346 58.000 -0.046 0.000 0.959 196 F CB 1.226 40.201 39.000 -0.042 0.000 1.305 196 F HN 0.305 nan 8.300 nan 0.000 0.443 197 P HA 0.250 nan 4.420 nan 0.000 0.265 197 P C -0.812 176.542 177.300 0.090 0.000 1.193 197 P CA 0.027 63.096 63.100 -0.052 0.000 0.765 197 P CB 0.619 32.323 31.700 0.006 0.000 0.823 198 M N 4.123 123.722 119.600 -0.000 0.000 2.294 198 M HA 0.378 4.858 4.480 -0.001 0.000 0.280 198 M C -3.055 173.242 176.300 -0.004 0.000 1.085 198 M CA -2.301 53.030 55.300 0.050 0.000 0.969 198 M CB 2.412 35.066 32.600 0.091 0.000 1.770 198 M HN 0.055 nan 8.290 nan 0.000 0.485 199 P HA 0.027 nan 4.420 nan 0.000 0.266 199 P C -1.315 175.977 177.300 -0.013 0.000 1.195 199 P CA 0.130 63.224 63.100 -0.010 0.000 0.768 199 P CB 0.430 32.128 31.700 -0.003 0.000 0.838 200 K N 3.144 123.529 120.400 -0.025 0.000 2.530 200 K HA -0.065 4.255 4.320 -0.001 0.000 0.280 200 K C -0.000 176.592 176.600 -0.013 0.000 1.004 200 K CA 0.628 56.899 56.287 -0.026 0.000 1.071 200 K CB -0.119 32.361 32.500 -0.033 0.000 0.876 200 K HN 0.384 nan 8.250 nan 0.000 0.487 201 N N 3.271 121.967 118.700 -0.007 0.000 2.549 201 N HA 0.203 4.942 4.740 -0.001 0.000 0.281 201 N C -0.318 175.193 175.510 0.001 0.000 1.084 201 N CA -0.180 52.872 53.050 0.003 0.000 0.862 201 N CB 1.724 40.221 38.487 0.016 0.000 1.333 201 N HN 0.603 nan 8.380 nan 0.000 0.523 202 A N 2.840 125.658 122.820 -0.004 0.000 2.216 202 A HA -0.013 4.307 4.320 -0.001 0.000 0.214 202 A C 1.130 178.714 177.584 0.001 0.000 1.160 202 A CA 0.988 53.021 52.037 -0.007 0.000 0.725 202 A CB -0.036 18.959 19.000 -0.009 0.000 0.784 202 A HN 0.767 nan 8.150 nan 0.000 0.472 203 E N -0.480 119.726 120.200 0.009 0.000 2.444 203 E HA 0.176 4.526 4.350 -0.001 0.000 0.191 203 E C -0.531 176.087 176.600 0.030 0.000 1.041 203 E CA -0.210 56.200 56.400 0.017 0.000 0.883 203 E CB 0.340 30.050 29.700 0.016 0.000 1.024 203 E HN 0.421 nan 8.360 nan 0.000 0.470 204 I N 0.726 121.318 120.570 0.035 0.000 2.530 204 I HA 0.112 4.282 4.170 -0.001 0.000 0.297 204 I C 0.564 176.703 176.117 0.037 0.000 1.011 204 I CA -0.756 60.583 61.300 0.065 0.000 1.107 204 I CB 1.731 39.797 38.000 0.109 0.000 1.285 204 I HN -0.121 nan 8.210 nan 0.000 0.436 205 S N 4.002 119.727 115.700 0.041 0.000 2.558 205 S HA 0.034 4.504 4.470 -0.001 0.000 0.293 205 S C 1.455 176.026 174.600 -0.048 0.000 1.292 205 S CA 0.597 58.802 58.200 0.009 0.000 1.063 205 S CB 0.552 63.771 63.200 0.031 0.000 0.831 205 S HN 0.783 nan 8.310 nan 0.000 0.499 206 K N 4.234 124.571 120.400 -0.105 0.000 2.152 206 K HA -0.152 4.168 4.320 -0.001 0.000 0.206 206 K C 1.784 178.228 176.600 -0.260 0.000 1.048 206 K CA 2.215 58.386 56.287 -0.193 0.000 0.933 206 K CB -1.314 31.036 32.500 -0.250 0.000 0.721 206 K HN 0.927 nan 8.250 nan 0.000 0.447 207 H N 0.054 119.032 119.070 -0.152 0.000 2.456 207 H HA -0.036 4.519 4.556 -0.001 0.000 0.296 207 H C 1.014 176.160 175.328 -0.303 0.000 1.079 207 H CA 1.592 57.516 56.048 -0.207 0.000 1.322 207 H CB 0.047 29.692 29.762 -0.195 0.000 1.388 207 H HN 0.643 nan 8.280 nan 0.000 0.538 208 N N 0.551 119.120 118.700 -0.218 0.000 2.314 208 N HA 0.044 4.784 4.740 -0.001 0.000 0.200 208 N C -0.367 174.867 175.510 -0.460 0.000 1.135 208 N CA 0.030 52.806 53.050 -0.457 0.000 0.835 208 N CB 0.559 38.764 38.487 -0.470 0.000 0.989 208 N HN 0.320 nan 8.380 nan 0.000 0.478 209 Q N 0.291 119.916 119.800 -0.293 0.000 2.359 209 Q HA 0.552 4.892 4.340 -0.001 0.000 0.274 209 Q C -1.438 174.416 176.000 -0.245 0.000 1.074 209 Q CA -0.784 54.874 55.803 -0.241 0.000 0.810 209 Q CB 3.138 31.795 28.738 -0.135 0.000 1.342 209 Q HN -0.086 nan 8.270 nan 0.000 0.427 210 V N 1.649 121.408 119.914 -0.259 0.000 2.588 210 V HA 0.368 4.487 4.120 -0.001 0.000 0.304 210 V C -0.866 175.110 176.094 -0.196 0.000 1.042 210 V CA -0.820 61.338 62.300 -0.237 0.000 0.877 210 V CB 2.063 33.704 31.823 -0.303 0.000 0.996 210 V HN 0.729 nan 8.190 nan 0.000 0.425 211 E N 5.349 125.469 120.200 -0.133 0.000 2.151 211 E HA 0.694 5.043 4.350 -0.001 0.000 0.275 211 E C -1.187 175.382 176.600 -0.052 0.000 0.936 211 E CA -0.670 55.672 56.400 -0.096 0.000 0.777 211 E CB 1.890 31.548 29.700 -0.069 0.000 1.108 211 E HN 0.478 nan 8.360 nan 0.000 0.401 212 L N 0.413 121.610 121.223 -0.045 0.000 2.409 212 L HA 0.628 4.968 4.340 -0.001 0.000 0.255 212 L C -0.950 175.929 176.870 0.015 0.000 1.027 212 L CA -0.996 53.858 54.840 0.023 0.000 0.834 212 L CB 1.061 43.175 42.059 0.091 0.000 1.426 212 L HN 0.424 nan 8.230 nan 0.000 0.411 213 N N 1.084 119.800 118.700 0.026 0.000 2.407 213 N HA 0.575 5.315 4.740 -0.001 0.000 0.277 213 N C -1.728 173.787 175.510 0.007 0.000 0.995 213 N CA -0.173 52.887 53.050 0.017 0.000 0.903 213 N CB 2.145 40.635 38.487 0.005 0.000 1.218 213 N HN 0.794 nan 8.380 nan 0.000 0.487 214 I N 3.979 124.563 120.570 0.023 0.000 2.498 214 I HA 0.372 4.542 4.170 -0.001 0.000 0.290 214 I C -0.710 175.417 176.117 0.017 0.000 1.032 214 I CA -0.182 61.090 61.300 -0.046 0.000 1.073 214 I CB 0.625 38.643 38.000 0.029 0.000 1.251 214 I HN 0.522 nan 8.210 nan 0.000 0.426 215 Y N 6.400 126.729 120.300 0.049 0.000 3.152 215 Y HA -0.150 4.399 4.550 -0.001 0.000 0.212 215 Y C 1.523 177.440 175.900 0.028 0.000 1.198 215 Y CA 1.244 59.364 58.100 0.033 0.000 1.220 215 Y CB -1.781 36.697 38.460 0.030 0.000 1.326 215 Y HN 1.044 nan 8.280 nan 0.000 0.562 216 G N -1.057 107.807 108.800 0.107 0.000 2.179 216 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.260 216 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.260 216 G C 0.034 174.973 174.900 0.065 0.000 0.977 216 G CA 0.256 45.401 45.100 0.076 0.000 0.641 216 G HN 0.561 nan 8.290 nan 0.000 0.533 217 Q N 0.424 120.272 119.800 0.079 0.000 2.316 217 Q HA 0.581 4.921 4.340 -0.001 0.000 0.264 217 Q C -0.584 175.446 176.000 0.050 0.000 0.987 217 Q CA -0.998 54.845 55.803 0.066 0.000 0.852 217 Q CB 1.164 29.955 28.738 0.088 0.000 1.287 217 Q HN 0.167 nan 8.270 nan 0.000 0.448 218 N N 2.226 120.943 118.700 0.029 0.000 2.497 218 N HA 0.229 4.969 4.740 -0.001 0.000 0.268 218 N C -0.909 174.603 175.510 0.004 0.000 1.171 218 N CA 0.276 53.333 53.050 0.011 0.000 0.948 218 N CB 0.573 39.060 38.487 0.000 0.000 1.069 218 N HN 0.473 nan 8.380 nan 0.000 0.460 219 I N 1.576 122.134 120.570 -0.021 0.000 2.582 219 I HA 0.292 4.461 4.170 -0.001 0.000 0.292 219 I C -0.094 175.950 176.117 -0.122 0.000 1.066 219 I CA -0.716 60.545 61.300 -0.065 0.000 1.053 219 I CB 1.713 39.668 38.000 -0.076 0.000 1.241 219 I HN 0.406 nan 8.210 nan 0.000 0.421 220 N N 5.804 124.418 118.700 -0.142 0.000 2.342 220 N HA 0.717 5.457 4.740 -0.001 0.000 0.293 220 N C -1.621 173.737 175.510 -0.254 0.000 1.026 220 N CA -0.386 52.562 53.050 -0.170 0.000 0.857 220 N CB 1.539 39.961 38.487 -0.108 0.000 1.256 220 N HN 0.487 nan 8.380 nan 0.000 0.484 221 L N 2.581 123.607 121.223 -0.328 0.000 2.362 221 L HA 0.433 4.773 4.340 -0.001 0.000 0.271 221 L C -0.948 175.709 176.870 -0.355 0.000 1.002 221 L CA -1.184 53.393 54.840 -0.438 0.000 0.818 221 L CB 1.506 43.174 42.059 -0.652 0.000 1.298 221 L HN 0.565 nan 8.230 nan 0.000 0.420 222 Y N 3.311 123.283 120.300 -0.546 0.000 2.316 222 Y HA 0.524 5.074 4.550 0.000 0.000 0.331 222 Y C -0.328 175.211 175.900 -0.602 0.000 1.083 222 Y CA -0.623 57.128 58.100 -0.581 0.000 1.206 222 Y CB 1.149 39.145 38.460 -0.773 0.000 1.195 222 Y HN 0.276 nan 8.280 nan 0.000 0.497 223 V N 3.642 122.946 119.914 -1.017 0.000 2.656 223 V HA 0.619 4.738 4.120 -0.001 0.000 0.307 223 V C -1.432 174.180 176.094 -0.803 0.000 1.051 223 V CA -0.751 61.117 62.300 -0.720 0.000 0.893 223 V CB 1.608 33.127 31.823 -0.507 0.000 0.999 223 V HN 0.952 nan 8.190 nan 0.000 0.426 224 H N 1.642 120.398 119.070 -0.523 0.000 3.029 224 H HA 0.719 5.274 4.556 -0.001 0.000 0.358 224 H C -1.122 174.017 175.328 -0.314 0.000 1.129 224 H CA -0.076 55.704 56.048 -0.446 0.000 1.230 224 H CB 2.180 31.768 29.762 -0.289 0.000 1.827 224 H HN 1.008 nan 8.280 nan 0.000 0.530 225 S N 3.932 119.537 115.700 -0.158 0.000 2.521 225 S HA 0.483 4.952 4.470 -0.001 0.000 0.295 225 S C -1.656 172.838 174.600 -0.176 0.000 1.098 225 S CA -0.603 57.545 58.200 -0.087 0.000 0.999 225 S CB 0.452 63.581 63.200 -0.118 0.000 1.034 225 S HN 0.433 nan 8.310 nan 0.000 0.483 226 F N 4.348 124.390 119.950 0.153 0.000 2.311 226 F HA 0.434 4.960 4.527 -0.001 0.000 0.371 226 F C -0.083 175.743 175.800 0.043 0.000 1.083 226 F CA -0.811 57.255 58.000 0.110 0.000 1.113 226 F CB 1.168 40.170 39.000 0.003 0.000 1.349 226 F HN 0.380 nan 8.300 nan 0.000 0.470 227 L N 3.577 124.918 121.223 0.196 0.000 2.361 227 L HA 0.589 4.929 4.340 -0.001 0.000 0.278 227 L C 0.869 177.849 176.870 0.183 0.000 1.113 227 L CA 0.651 55.575 54.840 0.140 0.000 0.849 227 L CB 0.298 42.414 42.059 0.095 0.000 1.155 227 L HN 0.838 nan 8.230 nan 0.000 0.452 228 G N 3.764 112.629 108.800 0.109 0.000 2.259 228 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.217 228 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.217 228 G C 0.662 175.569 174.900 0.012 0.000 1.001 228 G CA 0.194 45.355 45.100 0.102 0.000 0.627 228 G HN 0.545 nan 8.290 nan 0.000 0.501 229 L N 1.840 123.032 121.223 -0.051 0.000 2.592 229 L HA 0.359 4.699 4.340 -0.001 0.000 0.227 229 L C 1.919 178.839 176.870 0.084 0.000 1.127 229 L CA 0.301 55.108 54.840 -0.055 0.000 0.884 229 L CB -0.103 41.844 42.059 -0.187 0.000 1.065 229 L HN 0.368 nan 8.230 nan 0.000 0.457 230 G N 0.116 108.949 108.800 0.056 0.000 2.614 230 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.239 230 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.239 230 G C 0.898 175.737 174.900 -0.101 0.000 1.240 230 G CA -0.147 44.984 45.100 0.053 0.000 0.842 230 G HN 0.442 nan 8.290 nan 0.000 0.584 231 Q N -0.108 119.603 119.800 -0.149 0.000 2.119 231 Q HA -0.115 4.225 4.340 -0.001 0.000 0.201 231 Q C 2.075 177.875 176.000 -0.333 0.000 0.972 231 Q CA 1.978 57.500 55.803 -0.468 0.000 0.847 231 Q CB -0.515 28.011 28.738 -0.354 0.000 0.903 231 Q HN 0.445 nan 8.270 nan 0.000 0.433 232 T N 1.247 115.686 114.554 -0.192 0.000 2.701 232 T HA -0.119 4.231 4.350 -0.001 0.000 0.263 232 T C 1.611 176.009 174.700 -0.504 0.000 1.040 232 T CA 1.389 63.348 62.100 -0.234 0.000 1.147 232 T CB -0.175 68.633 68.868 -0.100 0.000 0.865 232 T HN 0.332 nan 8.240 nan 0.000 0.426 233 E N 1.474 121.467 120.200 -0.345 0.000 2.051 233 E HA -0.140 4.210 4.350 -0.001 0.000 0.192 233 E C 2.282 178.745 176.600 -0.228 0.000 0.991 233 E CA 1.307 57.521 56.400 -0.310 0.000 0.799 233 E CB -0.533 29.110 29.700 -0.095 0.000 0.748 233 E HN 0.634 nan 8.360 nan 0.000 0.449 234 M N 1.093 120.594 119.600 -0.164 0.000 2.159 234 M HA -0.110 4.370 4.480 -0.001 0.000 0.263 234 M C 2.145 178.455 176.300 0.018 0.000 1.063 234 M CA 2.432 57.701 55.300 -0.052 0.000 1.110 234 M CB -0.886 31.670 32.600 -0.073 0.000 1.374 234 M HN -0.004 nan 8.290 nan 0.000 0.411 235 S N -0.499 115.137 115.700 -0.107 0.000 2.399 235 S HA -0.201 4.269 4.470 -0.001 0.000 0.231 235 S C 1.771 176.497 174.600 0.210 0.000 1.022 235 S CA 1.429 59.663 58.200 0.057 0.000 0.983 235 S CB -1.603 61.597 63.200 0.000 0.000 0.803 235 S HN 0.800 nan 8.310 nan 0.000 0.480 236 H N 0.742 119.837 119.070 0.041 0.000 2.543 236 H HA 0.081 4.637 4.556 -0.000 0.000 0.286 236 H C 1.763 177.051 175.328 -0.067 0.000 1.037 236 H CA 0.870 56.922 56.048 0.006 0.000 1.250 236 H CB 0.084 29.843 29.762 -0.005 0.000 1.373 236 H HN 0.409 nan 8.280 nan 0.000 0.580 237 Q N -0.369 119.393 119.800 -0.063 0.000 2.424 237 Q HA 0.019 4.359 4.340 -0.001 0.000 0.204 237 Q C 0.311 175.970 176.000 -0.569 0.000 0.933 237 Q CA 0.610 56.159 55.803 -0.424 0.000 0.929 237 Q CB 0.504 28.781 28.738 -0.770 0.000 1.037 237 Q HN 0.501 nan 8.270 nan 0.000 0.511 238 F N -1.115 118.896 119.950 0.102 0.000 2.772 238 F HA 0.226 4.753 4.527 -0.001 0.000 0.316 238 F C 1.367 177.320 175.800 0.255 0.000 1.114 238 F CA -0.238 57.838 58.000 0.127 0.000 1.191 238 F CB 0.192 39.232 39.000 0.066 0.000 1.065 238 F HN -0.108 nan 8.300 nan 0.000 0.534 239 L N -0.176 121.236 121.223 0.315 0.000 2.265 239 L HA -0.154 4.186 4.340 -0.001 0.000 0.215 239 L C 0.858 177.761 176.870 0.055 0.000 1.117 239 L CA 1.521 56.486 54.840 0.207 0.000 0.782 239 L CB -0.442 41.666 42.059 0.081 0.000 0.914 239 L HN 0.256 nan 8.230 nan 0.000 0.441 240 N N -1.320 117.447 118.700 0.111 0.000 2.214 240 N HA 0.055 4.794 4.740 -0.001 0.000 0.214 240 N C -0.177 175.413 175.510 0.134 0.000 1.132 240 N CA -0.277 52.811 53.050 0.064 0.000 0.856 240 N CB 0.656 39.156 38.487 0.021 0.000 1.020 240 N HN -0.001 nan 8.380 nan 0.000 0.509 241 S N 1.986 117.840 115.700 0.257 0.000 2.400 241 S HA 0.142 4.611 4.470 -0.001 0.000 0.295 241 S C -1.642 173.118 174.600 0.266 0.000 1.113 241 S CA -1.161 57.188 58.200 0.248 0.000 1.064 241 S CB 1.136 64.512 63.200 0.293 0.000 0.990 241 S HN 0.165 nan 8.310 nan 0.000 0.502 242 P HA -0.044 nan 4.420 nan 0.000 0.220 242 P C 1.210 178.585 177.300 0.124 0.000 1.148 242 P CA 0.802 63.999 63.100 0.161 0.000 0.803 242 P CB 0.089 31.842 31.700 0.088 0.000 0.782 243 S N -1.382 114.356 115.700 0.064 0.000 2.440 243 S HA -0.140 4.330 4.470 -0.001 0.000 0.238 243 S C 1.561 176.107 174.600 -0.090 0.000 1.010 243 S CA 1.103 59.291 58.200 -0.019 0.000 0.972 243 S CB -1.049 62.133 63.200 -0.029 0.000 0.774 243 S HN 0.270 nan 8.310 nan 0.000 0.501 244 c N 0.575 119.118 118.600 -0.095 0.000 2.791 244 c HA 0.453 5.023 4.570 -0.001 0.000 0.270 244 c C 0.158 173.754 174.090 -0.822 0.000 1.257 244 c CA -0.695 55.385 56.329 -0.415 0.000 1.699 244 c CB -1.524 40.708 42.510 -0.464 0.000 1.904 244 c HN 0.330 nan 8.230 nan 0.000 0.603 245 F N 0.105 119.999 119.950 -0.092 0.000 2.588 245 F HA 0.598 5.125 4.527 -0.000 0.000 0.314 245 F C 0.540 176.301 175.800 -0.065 0.000 1.069 245 F CA -0.850 57.067 58.000 -0.139 0.000 0.931 245 F CB 0.568 39.482 39.000 -0.143 0.000 1.260 245 F HN -0.041 nan 8.300 nan 0.000 0.465 246 A N 1.822 124.713 122.820 0.118 0.000 2.587 246 A HA 0.086 4.405 4.320 -0.001 0.000 0.233 246 A C 0.150 177.881 177.584 0.244 0.000 1.049 246 A CA -0.387 51.776 52.037 0.209 0.000 0.754 246 A CB -0.248 19.006 19.000 0.423 0.000 0.977 246 A HN 0.712 nan 8.150 nan 0.000 0.509 247 N N 1.971 120.788 118.700 0.194 0.000 2.294 247 N HA 0.040 4.779 4.740 -0.001 0.000 0.263 247 N C 0.039 175.694 175.510 0.242 0.000 1.281 247 N CA 1.202 54.357 53.050 0.175 0.000 0.846 247 N CB 0.164 38.734 38.487 0.138 0.000 1.061 247 N HN 0.598 nan 8.380 nan 0.000 0.478 248 D N -0.380 120.128 120.400 0.181 0.000 2.946 248 D HA -0.263 4.377 4.640 -0.001 0.000 0.202 248 D C -0.191 176.201 176.300 0.154 0.000 1.068 248 D CA 0.729 54.825 54.000 0.160 0.000 1.011 248 D CB -1.711 39.194 40.800 0.176 0.000 1.105 248 D HN 0.663 nan 8.370 nan 0.000 0.425 249 Y N 2.476 122.792 120.300 0.027 0.000 2.717 249 Y HA 0.257 4.807 4.550 -0.000 0.000 0.330 249 Y C -1.903 173.867 175.900 -0.217 0.000 1.217 249 Y CA -1.026 56.905 58.100 -0.280 0.000 1.506 249 Y CB 0.734 38.911 38.460 -0.472 0.000 1.268 249 Y HN -0.129 nan 8.280 nan 0.000 0.561 250 P HA 0.125 nan 4.420 nan 0.000 0.279 250 P C -0.861 176.045 177.300 -0.657 0.000 1.318 250 P CA 0.175 62.897 63.100 -0.629 0.000 0.819 250 P CB 0.279 31.684 31.700 -0.492 0.000 0.927 251 L N 6.401 127.419 121.223 -0.342 0.000 2.439 251 L HA 0.151 4.490 4.340 -0.001 0.000 0.269 251 L C -0.629 176.114 176.870 -0.212 0.000 1.179 251 L CA -1.787 52.899 54.840 -0.257 0.000 0.828 251 L CB -0.072 41.899 42.059 -0.148 0.000 1.106 251 L HN 0.168 nan 8.230 nan 0.000 0.467 252 P HA -0.197 nan 4.420 nan 0.000 0.217 252 P C 0.650 177.886 177.300 -0.106 0.000 1.148 252 P CA 1.255 64.272 63.100 -0.139 0.000 0.828 252 P CB -0.101 31.531 31.700 -0.113 0.000 0.783 253 D N -1.540 118.807 120.400 -0.088 0.000 2.363 253 D HA 0.051 4.691 4.640 -0.001 0.000 0.226 253 D C 1.451 177.713 176.300 -0.064 0.000 1.020 253 D CA 0.726 54.687 54.000 -0.064 0.000 0.892 253 D CB -0.921 39.853 40.800 -0.044 0.000 0.900 253 D HN 0.288 nan 8.370 nan 0.000 0.531 254 G N -0.583 108.167 108.800 -0.084 0.000 2.195 254 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.246 254 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.246 254 G C 0.190 175.050 174.900 -0.067 0.000 0.984 254 G CA 0.061 45.114 45.100 -0.077 0.000 0.633 254 G HN 0.379 nan 8.290 nan 0.000 0.525 255 E N 0.437 120.600 120.200 -0.060 0.000 2.322 255 E HA 0.629 4.978 4.350 -0.001 0.000 0.257 255 E C -0.049 176.519 176.600 -0.053 0.000 1.155 255 E CA -0.080 56.296 56.400 -0.040 0.000 0.936 255 E CB 1.159 30.848 29.700 -0.018 0.000 1.130 255 E HN 0.186 nan 8.360 nan 0.000 0.465 256 S N -0.473 115.216 115.700 -0.019 0.000 2.501 256 S HA 0.513 4.983 4.470 -0.001 0.000 0.301 256 S C 0.114 174.742 174.600 0.047 0.000 1.096 256 S CA -0.769 57.428 58.200 -0.005 0.000 1.063 256 S CB 1.708 64.917 63.200 0.015 0.000 1.042 256 S HN 0.577 nan 8.310 nan 0.000 0.494 257 G N 0.550 109.409 108.800 0.097 0.000 2.559 257 G HA2 0.345 4.305 3.960 -0.001 0.000 0.235 257 G HA3 0.345 4.305 3.960 -0.001 0.000 0.235 257 G C -0.332 174.636 174.900 0.113 0.000 1.266 257 G CA 0.017 45.220 45.100 0.172 0.000 0.847 257 G HN 0.621 nan 8.290 nan 0.000 0.583 258 Q N 0.714 120.563 119.800 0.081 0.000 3.966 258 Q HA 0.340 4.679 4.340 -0.001 0.000 0.198 258 Q C 0.272 176.237 176.000 -0.058 0.000 0.872 258 Q CA -0.522 55.292 55.803 0.020 0.000 0.767 258 Q CB 0.166 28.919 28.738 0.024 0.000 1.516 258 Q HN 0.864 nan 8.270 nan 0.000 0.434 259 G N 1.803 110.536 108.800 -0.112 0.000 2.432 259 G HA2 0.210 4.169 3.960 -0.001 0.000 0.239 259 G HA3 0.210 4.169 3.960 -0.001 0.000 0.239 259 G C -0.300 174.350 174.900 -0.417 0.000 1.291 259 G CA -0.000 44.976 45.100 -0.207 0.000 0.863 259 G HN 0.509 nan 8.290 nan 0.000 0.560 260 N N 0.342 118.890 118.700 -0.254 0.000 2.699 260 N HA 0.403 5.143 4.740 -0.001 0.000 0.271 260 N C 0.773 176.229 175.510 -0.090 0.000 1.216 260 N CA 0.171 53.121 53.050 -0.166 0.000 0.844 260 N CB 1.251 39.696 38.487 -0.069 0.000 1.462 260 N HN 0.446 nan 8.380 nan 0.000 0.555 261 A N 4.414 127.199 122.820 -0.058 0.000 1.892 261 A HA -0.025 4.294 4.320 -0.001 0.000 0.218 261 A C -0.706 176.794 177.584 -0.140 0.000 1.188 261 A CA 1.732 53.709 52.037 -0.100 0.000 0.631 261 A CB -1.235 17.721 19.000 -0.072 0.000 0.822 261 A HN 0.634 nan 8.150 nan 0.000 0.447 262 P HA -0.121 nan 4.420 nan 0.000 0.216 262 P C 1.679 178.915 177.300 -0.107 0.000 1.153 262 P CA 1.953 64.968 63.100 -0.141 0.000 0.858 262 P CB -0.153 31.490 31.700 -0.094 0.000 0.789 263 S N -1.303 114.352 115.700 -0.076 0.000 2.368 263 S HA -0.168 4.301 4.470 -0.001 0.000 0.224 263 S C 2.144 176.690 174.600 -0.090 0.000 1.029 263 S CA 1.262 59.425 58.200 -0.062 0.000 0.988 263 S CB -1.531 61.647 63.200 -0.037 0.000 0.838 263 S HN 0.283 nan 8.310 nan 0.000 0.462 264 c N 2.635 121.159 118.600 -0.128 0.000 2.446 264 c HA -0.013 4.556 4.570 -0.001 0.000 0.277 264 c C 2.739 176.689 174.090 -0.234 0.000 1.275 264 c CA 1.227 57.442 56.329 -0.190 0.000 1.727 264 c CB -1.093 41.279 42.510 -0.230 0.000 2.010 264 c HN 0.634 nan 8.230 nan 0.000 0.486 265 K N 0.631 120.913 120.400 -0.196 0.000 2.074 265 K HA -0.241 4.078 4.320 -0.001 0.000 0.209 265 K C 1.819 178.338 176.600 -0.136 0.000 1.048 265 K CA 2.326 58.509 56.287 -0.174 0.000 0.926 265 K CB -0.433 31.961 32.500 -0.178 0.000 0.713 265 K HN 0.666 nan 8.250 nan 0.000 0.444 266 E N 0.580 120.717 120.200 -0.104 0.000 2.077 266 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 266 E C 2.084 178.657 176.600 -0.045 0.000 0.989 266 E CA 1.610 57.975 56.400 -0.057 0.000 0.800 266 E CB -0.016 29.662 29.700 -0.036 0.000 0.746 266 E HN 0.451 nan 8.360 nan 0.000 0.452 267 E N 0.372 120.532 120.200 -0.067 0.000 2.058 267 E HA -0.177 4.172 4.350 -0.001 0.000 0.194 267 E C 2.239 178.820 176.600 -0.031 0.000 0.997 267 E CA 1.315 57.720 56.400 0.009 0.000 0.801 267 E CB 0.003 29.718 29.700 0.024 0.000 0.746 267 E HN 0.092 nan 8.360 nan 0.000 0.450 268 V N 1.118 120.825 119.914 -0.345 0.000 2.358 268 V HA -0.230 3.889 4.120 -0.001 0.000 0.246 268 V C 2.302 178.363 176.094 -0.055 0.000 1.047 268 V CA 2.031 64.120 62.300 -0.353 0.000 1.035 268 V CB -0.744 30.813 31.823 -0.444 0.000 0.658 268 V HN 0.318 nan 8.190 nan 0.000 0.452 269 T N -0.160 114.352 114.554 -0.070 0.000 2.778 269 T HA -0.210 4.139 4.350 -0.001 0.000 0.269 269 T C 2.143 176.850 174.700 0.012 0.000 1.050 269 T CA 1.858 63.932 62.100 -0.043 0.000 1.137 269 T CB -0.278 68.565 68.868 -0.042 0.000 0.860 269 T HN 0.498 nan 8.240 nan 0.000 0.468 270 S N 1.054 116.789 115.700 0.058 0.000 2.370 270 S HA -0.056 4.414 4.470 -0.001 0.000 0.226 270 S C 1.906 176.576 174.600 0.117 0.000 1.033 270 S CA 0.799 59.051 58.200 0.086 0.000 1.011 270 S CB -0.451 62.815 63.200 0.110 0.000 0.852 270 S HN 0.305 nan 8.310 nan 0.000 0.457 271 L N 1.216 122.557 121.223 0.197 0.000 2.046 271 L HA 0.038 4.378 4.340 -0.001 0.000 0.208 271 L C 2.163 179.145 176.870 0.186 0.000 1.077 271 L CA 1.718 56.691 54.840 0.222 0.000 0.747 271 L CB -0.534 41.727 42.059 0.336 0.000 0.896 271 L HN 0.279 nan 8.230 nan 0.000 0.432 272 M N -0.808 118.835 119.600 0.072 0.000 2.086 272 M HA -0.180 4.299 4.480 -0.001 0.000 0.261 272 M C 1.699 177.985 176.300 -0.023 0.000 1.067 272 M CA 1.800 57.071 55.300 -0.048 0.000 1.116 272 M CB -0.256 32.230 32.600 -0.190 0.000 1.348 272 M HN 0.313 nan 8.290 nan 0.000 0.407 273 N N -1.097 117.599 118.700 -0.007 0.000 2.499 273 N HA 0.078 4.818 4.740 -0.001 0.000 0.182 273 N C 1.680 177.207 175.510 0.028 0.000 1.034 273 N CA 0.939 53.986 53.050 -0.005 0.000 0.882 273 N CB -0.118 38.354 38.487 -0.025 0.000 1.125 273 N HN 0.099 nan 8.380 nan 0.000 0.436 274 S N 0.161 115.883 115.700 0.037 0.000 2.387 274 S HA 0.025 4.495 4.470 -0.001 0.000 0.226 274 S C 2.033 176.653 174.600 0.033 0.000 1.026 274 S CA 0.678 58.899 58.200 0.035 0.000 0.972 274 S CB 0.139 63.361 63.200 0.036 0.000 0.814 274 S HN 0.045 nan 8.310 nan 0.000 0.477 275 V N 0.735 120.680 119.914 0.050 0.000 2.403 275 V HA 0.029 4.148 4.120 -0.001 0.000 0.239 275 V C 1.728 177.793 176.094 -0.048 0.000 1.041 275 V CA 0.920 63.218 62.300 -0.003 0.000 1.051 275 V CB -0.608 31.220 31.823 0.008 0.000 0.704 275 V HN 0.499 nan 8.190 nan 0.000 0.472 276 H N 0.548 119.649 119.070 0.052 0.000 2.548 276 H HA 0.116 4.672 4.556 -0.001 0.000 0.265 276 H C 0.605 175.999 175.328 0.110 0.000 0.969 276 H CA 0.257 56.367 56.048 0.103 0.000 1.155 276 H CB 0.134 29.946 29.762 0.083 0.000 1.394 276 H HN 0.417 nan 8.280 nan 0.000 0.570 277 K N -0.064 120.414 120.400 0.131 0.000 3.012 277 K HA -0.180 4.140 4.320 -0.001 0.000 0.259 277 K C 1.200 177.854 176.600 0.089 0.000 0.989 277 K CA 0.319 56.664 56.287 0.098 0.000 0.728 277 K CB -1.759 30.810 32.500 0.114 0.000 1.260 277 K HN 0.044 nan 8.250 nan 0.000 0.480 278 V N 1.004 120.896 119.914 -0.036 0.000 2.252 278 V HA -0.419 3.701 4.120 -0.001 0.000 0.249 278 V C 2.521 178.603 176.094 -0.020 0.000 1.056 278 V CA 2.387 64.578 62.300 -0.181 0.000 1.022 278 V CB -0.544 30.953 31.823 -0.544 0.000 0.641 278 V HN 0.727 nan 8.190 nan 0.000 0.445 279 N N 1.109 119.785 118.700 -0.039 0.000 2.036 279 N HA -0.290 4.450 4.740 -0.001 0.000 0.195 279 N C 1.747 177.278 175.510 0.035 0.000 1.037 279 N CA 2.224 55.270 53.050 -0.006 0.000 0.855 279 N CB -0.915 37.556 38.487 -0.026 0.000 1.033 279 N HN 0.631 nan 8.380 nan 0.000 0.423 280 Q N 0.123 119.951 119.800 0.047 0.000 2.096 280 Q HA -0.127 4.212 4.340 -0.001 0.000 0.204 280 Q C 2.181 178.235 176.000 0.090 0.000 0.982 280 Q CA 1.696 57.536 55.803 0.062 0.000 0.850 280 Q CB -0.191 28.586 28.738 0.065 0.000 0.901 280 Q HN 0.662 nan 8.270 nan 0.000 0.422 281 Q N -0.617 119.265 119.800 0.136 0.000 2.163 281 Q HA -0.035 4.304 4.340 -0.001 0.000 0.198 281 Q C 1.918 178.013 176.000 0.158 0.000 0.954 281 Q CA 0.617 56.532 55.803 0.187 0.000 0.851 281 Q CB 0.368 29.283 28.738 0.294 0.000 0.928 281 Q HN 0.338 nan 8.270 nan 0.000 0.459 282 I N 0.321 120.989 120.570 0.163 0.000 2.810 282 I HA -0.092 4.078 4.170 -0.001 0.000 0.262 282 I C 2.118 178.279 176.117 0.072 0.000 1.131 282 I CA 0.961 62.360 61.300 0.164 0.000 1.453 282 I CB -0.941 37.226 38.000 0.279 0.000 1.161 282 I HN 0.214 nan 8.210 nan 0.000 0.444 283 Q N 0.912 120.744 119.800 0.054 0.000 2.096 283 Q HA -0.164 4.176 4.340 -0.001 0.000 0.204 283 Q C -0.472 175.522 176.000 -0.010 0.000 0.982 283 Q CA 1.776 57.587 55.803 0.013 0.000 0.850 283 Q CB -1.114 27.628 28.738 0.007 0.000 0.901 283 Q HN 0.406 nan 8.270 nan 0.000 0.422 284 P HA -0.129 nan 4.420 nan 0.000 0.221 284 P C 0.974 178.256 177.300 -0.029 0.000 1.150 284 P CA 1.053 64.146 63.100 -0.012 0.000 0.800 284 P CB 0.021 31.721 31.700 -0.000 0.000 0.787 285 L N -1.683 119.515 121.223 -0.042 0.000 2.131 285 L HA -0.071 4.268 4.340 -0.001 0.000 0.206 285 L C 2.343 179.160 176.870 -0.087 0.000 1.087 285 L CA 1.038 55.846 54.840 -0.054 0.000 0.767 285 L CB -0.714 41.275 42.059 -0.116 0.000 0.917 285 L HN -0.041 nan 8.230 nan 0.000 0.441 286 L N -0.527 120.600 121.223 -0.160 0.000 2.156 286 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 286 L C 2.847 179.637 176.870 -0.133 0.000 1.095 286 L CA 0.784 55.468 54.840 -0.261 0.000 0.770 286 L CB -0.558 41.364 42.059 -0.229 0.000 0.914 286 L HN 0.211 nan 8.230 nan 0.000 0.439 287 A N 0.270 123.045 122.820 -0.075 0.000 1.908 287 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 287 A C 2.163 179.719 177.584 -0.046 0.000 1.181 287 A CA 1.542 53.550 52.037 -0.048 0.000 0.627 287 A CB -0.573 18.409 19.000 -0.030 0.000 0.818 287 A HN 0.398 nan 8.150 nan 0.000 0.445 288 L N -0.896 120.301 121.223 -0.045 0.000 2.341 288 L HA 0.045 4.384 4.340 -0.001 0.000 0.214 288 L C 0.177 177.027 176.870 -0.033 0.000 1.115 288 L CA 0.397 55.219 54.840 -0.030 0.000 0.820 288 L CB -0.143 41.905 42.059 -0.018 0.000 0.944 288 L HN 0.338 nan 8.230 nan 0.000 0.452 289 N N 0.306 118.972 118.700 -0.056 0.000 2.813 289 N HA 0.264 5.003 4.740 -0.001 0.000 0.282 289 N C -2.526 172.904 175.510 -0.132 0.000 1.748 289 N CA -1.059 51.961 53.050 -0.051 0.000 0.860 289 N CB 0.989 39.501 38.487 0.041 0.000 1.204 289 N HN -0.070 nan 8.380 nan 0.000 0.490 290 P HA -0.013 nan 4.420 nan 0.000 0.265 290 P C 0.099 177.290 177.300 -0.182 0.000 1.193 290 P CA 0.094 63.116 63.100 -0.131 0.000 0.765 290 P CB 0.947 32.600 31.700 -0.077 0.000 0.823 291 V N 4.097 123.842 119.914 -0.282 0.000 2.509 291 V HA 0.105 4.225 4.120 -0.001 0.000 0.284 291 V C 1.380 177.291 176.094 -0.306 0.000 1.047 291 V CA 0.119 62.163 62.300 -0.426 0.000 0.952 291 V CB 0.916 32.128 31.823 -1.018 0.000 0.988 291 V HN 0.541 nan 8.190 nan 0.000 0.469 292 N N 2.707 121.276 118.700 -0.219 0.000 2.207 292 N HA 0.044 4.784 4.740 -0.001 0.000 0.182 292 N C 0.056 175.504 175.510 -0.103 0.000 1.020 292 N CA 0.598 53.576 53.050 -0.120 0.000 0.858 292 N CB 0.375 38.823 38.487 -0.065 0.000 0.991 292 N HN 0.680 nan 8.380 nan 0.000 0.427 293 E N -0.637 119.478 120.200 -0.142 0.000 2.256 293 E HA 0.198 4.548 4.350 -0.001 0.000 0.268 293 E C -1.539 175.006 176.600 -0.092 0.000 0.877 293 E CA -0.509 55.882 56.400 -0.015 0.000 0.757 293 E CB 1.616 31.392 29.700 0.127 0.000 1.183 293 E HN 0.113 nan 8.360 nan 0.000 0.418 294 W N 2.057 123.438 121.300 0.135 0.000 2.433 294 W HA 0.383 5.042 4.660 -0.001 0.000 0.315 294 W C -0.526 176.022 176.519 0.049 0.000 1.087 294 W CA -0.428 56.989 57.345 0.120 0.000 1.205 294 W CB 0.852 30.326 29.460 0.022 0.000 1.288 294 W HN 0.455 nan 8.180 nan 0.000 0.504 295 Y N 1.867 122.392 120.300 0.375 0.000 2.429 295 Y HA 0.491 5.040 4.550 -0.001 0.000 0.342 295 Y C 0.264 176.304 175.900 0.232 0.000 1.004 295 Y CA -0.774 57.472 58.100 0.244 0.000 1.075 295 Y CB 2.384 40.904 38.460 0.100 0.000 1.214 295 Y HN 0.219 nan 8.280 nan 0.000 0.455 296 S N 4.193 120.051 115.700 0.263 0.000 2.500 296 S HA 0.811 5.280 4.470 -0.001 0.000 0.301 296 S C -0.922 173.777 174.600 0.165 0.000 1.092 296 S CA -0.554 57.745 58.200 0.165 0.000 1.030 296 S CB 0.361 63.574 63.200 0.022 0.000 1.031 296 S HN 0.582 nan 8.310 nan 0.000 0.483 297 I N 0.950 121.603 120.570 0.139 0.000 3.108 297 I HA 1.003 5.172 4.170 -0.001 0.000 0.312 297 I C 0.655 176.824 176.117 0.087 0.000 1.095 297 I CA -0.584 60.793 61.300 0.128 0.000 1.000 297 I CB 1.401 39.495 38.000 0.157 0.000 1.229 297 I HN 0.908 nan 8.210 nan 0.000 0.454 298 G N 1.778 110.629 108.800 0.085 0.000 2.481 298 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.230 298 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.230 298 G C 0.602 175.515 174.900 0.022 0.000 1.210 298 G CA 0.097 45.243 45.100 0.077 0.000 0.936 298 G HN 1.386 nan 8.290 nan 0.000 0.583 299 G N -0.190 108.642 108.800 0.055 0.000 2.432 299 G HA2 0.051 4.010 3.960 -0.001 0.000 0.219 299 G HA3 0.051 4.010 3.960 -0.001 0.000 0.219 299 G C 1.909 176.764 174.900 -0.075 0.000 1.135 299 G CA 1.497 46.631 45.100 0.056 0.000 0.767 299 G HN 0.790 nan 8.290 nan 0.000 0.550 300 I N 1.322 121.696 120.570 -0.327 0.000 2.151 300 I HA -0.266 3.903 4.170 -0.001 0.000 0.243 300 I C 3.166 178.917 176.117 -0.608 0.000 1.080 300 I CA 1.782 62.632 61.300 -0.750 0.000 1.339 300 I CB -0.155 37.332 38.000 -0.855 0.000 1.039 300 I HN 0.395 nan 8.210 nan 0.000 0.409 301 S N 0.851 116.301 115.700 -0.416 0.000 2.399 301 S HA -0.222 4.247 4.470 -0.001 0.000 0.231 301 S C 1.525 175.947 174.600 -0.297 0.000 1.022 301 S CA 2.022 59.992 58.200 -0.383 0.000 0.983 301 S CB -0.650 62.542 63.200 -0.014 0.000 0.803 301 S HN 0.527 nan 8.310 nan 0.000 0.480 302 N N 1.337 119.916 118.700 -0.203 0.000 2.135 302 N HA 0.074 4.814 4.740 -0.001 0.000 0.186 302 N C 1.902 177.295 175.510 -0.195 0.000 1.027 302 N CA 1.287 54.246 53.050 -0.152 0.000 0.849 302 N CB -0.386 38.015 38.487 -0.144 0.000 1.002 302 N HN 0.436 nan 8.380 nan 0.000 0.425 303 L N 0.672 121.736 121.223 -0.265 0.000 2.046 303 L HA -0.041 4.298 4.340 -0.001 0.000 0.208 303 L C 2.086 178.677 176.870 -0.464 0.000 1.077 303 L CA 1.210 55.819 54.840 -0.384 0.000 0.747 303 L CB -0.306 41.532 42.059 -0.370 0.000 0.896 303 L HN 0.152 nan 8.230 nan 0.000 0.432 304 A N -1.239 121.279 122.820 -0.503 0.000 2.121 304 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 304 A C 2.237 179.769 177.584 -0.086 0.000 1.154 304 A CA 1.708 53.538 52.037 -0.345 0.000 0.679 304 A CB -0.464 17.937 19.000 -0.998 0.000 0.795 304 A HN 0.536 nan 8.150 nan 0.000 0.458 305 S N -0.539 115.085 115.700 -0.126 0.000 2.548 305 S HA 0.104 4.574 4.470 -0.001 0.000 0.215 305 S C 1.116 175.746 174.600 0.049 0.000 0.976 305 S CA 0.399 58.612 58.200 0.021 0.000 0.908 305 S CB -0.197 63.023 63.200 0.033 0.000 0.781 305 S HN 0.664 nan 8.310 nan 0.000 0.519 306 S N 1.246 116.955 115.700 0.015 0.000 2.569 306 S HA 0.012 4.481 4.470 -0.001 0.000 0.274 306 S C 1.345 175.994 174.600 0.081 0.000 1.353 306 S CA -0.179 58.061 58.200 0.066 0.000 1.023 306 S CB 0.456 63.639 63.200 -0.027 0.000 0.876 306 S HN 0.213 nan 8.310 nan 0.000 0.540 307 Q N 1.638 121.486 119.800 0.081 0.000 2.224 307 Q HA -0.004 4.336 4.340 -0.001 0.000 0.203 307 Q C 1.881 177.848 176.000 -0.055 0.000 0.970 307 Q CA 1.220 57.058 55.803 0.058 0.000 0.865 307 Q CB -0.439 28.387 28.738 0.147 0.000 0.922 307 Q HN 0.746 nan 8.270 nan 0.000 0.445 308 L N -1.048 120.072 121.223 -0.171 0.000 2.395 308 L HA 0.014 4.353 4.340 -0.001 0.000 0.218 308 L C 0.301 176.908 176.870 -0.439 0.000 1.130 308 L CA 0.583 55.220 54.840 -0.339 0.000 0.826 308 L CB 0.045 41.873 42.059 -0.385 0.000 0.941 308 L HN -0.035 nan 8.230 nan 0.000 0.451 309 F N -2.038 117.786 119.950 -0.210 0.000 2.450 309 F HA 0.353 4.880 4.527 -0.001 0.000 0.332 309 F C 0.274 175.904 175.800 -0.284 0.000 1.093 309 F CA -0.833 56.994 58.000 -0.289 0.000 1.003 309 F CB 0.980 39.834 39.000 -0.244 0.000 1.151 309 F HN -0.159 nan 8.300 nan 0.000 0.474 310 H N 3.223 122.021 119.070 -0.453 0.000 2.638 310 H HA 0.571 5.127 4.556 -0.001 0.000 0.317 310 H C -1.826 173.181 175.328 -0.536 0.000 1.006 310 H CA -0.656 55.189 56.048 -0.337 0.000 1.222 310 H CB 0.410 30.041 29.762 -0.218 0.000 1.419 310 H HN 0.381 nan 8.280 nan 0.000 0.489 311 F N 2.731 122.494 119.950 -0.311 0.000 2.569 311 F HA 0.345 4.872 4.527 -0.000 0.000 0.312 311 F C -0.317 175.329 175.800 -0.257 0.000 1.109 311 F CA -0.909 56.958 58.000 -0.221 0.000 0.919 311 F CB 2.125 41.152 39.000 0.045 0.000 1.211 311 F HN 0.514 nan 8.300 nan 0.000 0.446 312 E N 1.106 121.288 120.200 -0.031 0.000 2.232 312 E HA 0.483 4.832 4.350 -0.001 0.000 0.264 312 E C -0.277 176.304 176.600 -0.032 0.000 0.973 312 E CA -0.681 55.696 56.400 -0.039 0.000 0.849 312 E CB 0.661 30.339 29.700 -0.036 0.000 1.198 312 E HN 0.505 nan 8.360 nan 0.000 0.407 313 N N 0.603 119.271 118.700 -0.053 0.000 2.782 313 N HA -0.204 4.536 4.740 -0.001 0.000 0.251 313 N C -0.979 174.413 175.510 -0.196 0.000 1.101 313 N CA 1.028 54.029 53.050 -0.083 0.000 0.764 313 N CB -1.539 36.917 38.487 -0.052 0.000 1.122 313 N HN 0.508 nan 8.380 nan 0.000 0.561 314 S N -0.850 114.652 115.700 -0.330 0.000 3.550 314 S HA -0.247 4.223 4.470 -0.001 0.000 0.372 314 S C 0.265 174.239 174.600 -1.043 0.000 0.966 314 S CA 1.720 59.347 58.200 -0.955 0.000 1.229 314 S CB -1.128 61.644 63.200 -0.713 0.000 0.917 314 S HN 0.837 nan 8.310 nan 0.000 0.496 315 E N -0.624 119.257 120.200 -0.532 0.000 2.433 315 E HA 0.775 5.125 4.350 -0.001 0.000 0.278 315 E C -0.732 175.753 176.600 -0.191 0.000 0.976 315 E CA -1.424 54.766 56.400 -0.349 0.000 0.793 315 E CB 1.333 30.785 29.700 -0.412 0.000 1.311 315 E HN 0.280 nan 8.360 nan 0.000 0.460 316 L N -2.069 118.966 121.223 -0.314 0.000 2.630 316 L HA 0.788 5.127 4.340 -0.001 0.000 0.258 316 L C -0.614 176.089 176.870 -0.280 0.000 1.072 316 L CA -0.582 53.959 54.840 -0.499 0.000 0.885 316 L CB 1.482 42.791 42.059 -1.251 0.000 1.502 316 L HN 0.796 nan 8.230 nan 0.000 0.406 317 T N -3.413 111.051 114.554 -0.151 0.000 2.924 317 T HA 0.474 4.824 4.350 -0.001 0.000 0.291 317 T C 0.303 174.972 174.700 -0.053 0.000 1.045 317 T CA -0.375 61.673 62.100 -0.087 0.000 1.015 317 T CB 1.402 70.267 68.868 -0.005 0.000 1.103 317 T HN 0.683 nan 8.240 nan 0.000 0.496 318 N N 0.190 118.847 118.700 -0.072 0.000 2.188 318 N HA -0.120 4.620 4.740 -0.001 0.000 0.184 318 N C 1.956 177.618 175.510 0.253 0.000 1.018 318 N CA 0.936 53.987 53.050 0.000 0.000 0.858 318 N CB -0.129 38.199 38.487 -0.265 0.000 0.989 318 N HN 0.713 nan 8.380 nan 0.000 0.426 319 Q N 0.415 120.338 119.800 0.205 0.000 2.050 319 Q HA -0.160 4.180 4.340 -0.001 0.000 0.202 319 Q C 1.958 178.076 176.000 0.197 0.000 0.980 319 Q CA 1.515 57.462 55.803 0.240 0.000 0.840 319 Q CB -0.275 28.554 28.738 0.152 0.000 0.898 319 Q HN 0.337 nan 8.270 nan 0.000 0.424 320 S N 0.134 115.958 115.700 0.207 0.000 2.368 320 S HA -0.137 4.333 4.470 -0.001 0.000 0.224 320 S C 2.004 176.831 174.600 0.378 0.000 1.029 320 S CA 1.007 59.369 58.200 0.270 0.000 0.988 320 S CB -0.330 63.087 63.200 0.362 0.000 0.838 320 S HN 0.421 nan 8.310 nan 0.000 0.462 321 L N 1.405 122.884 121.223 0.427 0.000 1.989 321 L HA 0.006 4.345 4.340 -0.001 0.000 0.211 321 L C 2.195 179.277 176.870 0.354 0.000 1.071 321 L CA 1.902 57.022 54.840 0.466 0.000 0.749 321 L CB -0.961 41.208 42.059 0.184 0.000 0.890 321 L HN 0.443 nan 8.230 nan 0.000 0.431 322 L N -0.632 120.731 121.223 0.234 0.000 2.093 322 L HA -0.218 4.121 4.340 -0.001 0.000 0.208 322 L C 2.638 179.552 176.870 0.073 0.000 1.085 322 L CA 2.085 56.979 54.840 0.090 0.000 0.755 322 L CB -0.670 41.308 42.059 -0.136 0.000 0.904 322 L HN 0.596 nan 8.230 nan 0.000 0.435 323 Q N -1.189 118.664 119.800 0.088 0.000 2.079 323 Q HA -0.247 4.093 4.340 -0.001 0.000 0.200 323 Q C 2.155 178.179 176.000 0.039 0.000 0.974 323 Q CA 1.834 57.665 55.803 0.047 0.000 0.840 323 Q CB -0.084 28.681 28.738 0.046 0.000 0.898 323 Q HN 0.647 nan 8.270 nan 0.000 0.430 324 Q N -0.741 119.103 119.800 0.075 0.000 2.123 324 Q HA -0.070 4.269 4.340 -0.001 0.000 0.199 324 Q C 2.067 177.989 176.000 -0.131 0.000 0.966 324 Q CA 1.055 56.816 55.803 -0.070 0.000 0.845 324 Q CB -0.150 28.511 28.738 -0.127 0.000 0.907 324 Q HN 0.553 nan 8.270 nan 0.000 0.439 325 G N 1.133 110.029 108.800 0.160 0.000 2.446 325 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.217 325 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.217 325 G C 1.033 175.980 174.900 0.078 0.000 1.168 325 G CA 1.213 46.434 45.100 0.201 0.000 0.771 325 G HN 0.280 nan 8.290 nan 0.000 0.551 326 D N 0.456 120.899 120.400 0.073 0.000 2.117 326 D HA -0.080 4.559 4.640 -0.001 0.000 0.197 326 D C 2.311 178.706 176.300 0.158 0.000 0.987 326 D CA 0.929 54.998 54.000 0.114 0.000 0.829 326 D CB -0.137 40.715 40.800 0.086 0.000 0.961 326 D HN 0.141 nan 8.370 nan 0.000 0.460 327 N N -0.291 118.436 118.700 0.046 0.000 2.173 327 N HA -0.062 4.678 4.740 -0.001 0.000 0.184 327 N C 1.705 177.222 175.510 0.011 0.000 1.025 327 N CA 0.732 53.790 53.050 0.013 0.000 0.852 327 N CB -0.163 38.298 38.487 -0.043 0.000 0.998 327 N HN 0.256 nan 8.380 nan 0.000 0.427 328 Q N -0.188 119.575 119.800 -0.060 0.000 2.331 328 Q HA 0.162 4.502 4.340 -0.001 0.000 0.203 328 Q C 1.294 177.292 176.000 -0.004 0.000 0.944 328 Q CA 0.676 56.426 55.803 -0.087 0.000 0.892 328 Q CB 0.491 29.069 28.738 -0.266 0.000 0.983 328 Q HN 0.412 nan 8.270 nan 0.000 0.482 329 I N -2.122 118.470 120.570 0.038 0.000 3.669 329 I HA -0.055 4.115 4.170 -0.001 0.000 0.255 329 I C 1.997 178.179 176.117 0.107 0.000 1.144 329 I CA 0.193 61.562 61.300 0.114 0.000 1.447 329 I CB -0.520 37.574 38.000 0.157 0.000 1.622 329 I HN -0.069 nan 8.210 nan 0.000 0.435 330 c N 0.827 119.459 118.600 0.053 0.000 2.398 330 c HA -0.192 4.377 4.570 -0.001 0.000 0.276 330 c C 2.397 176.422 174.090 -0.108 0.000 1.222 330 c CA 1.052 57.352 56.329 -0.048 0.000 1.746 330 c CB -1.307 41.143 42.510 -0.099 0.000 2.039 330 c HN 0.465 nan 8.230 nan 0.000 0.470 331 H N -0.647 118.451 119.070 0.047 0.000 2.517 331 H HA 0.157 4.713 4.556 -0.001 0.000 0.282 331 H C 0.636 176.006 175.328 0.070 0.000 1.023 331 H CA 0.252 56.330 56.048 0.050 0.000 1.169 331 H CB -0.013 29.763 29.762 0.024 0.000 1.454 331 H HN 0.475 nan 8.280 nan 0.000 0.556 332 Q N 1.544 121.446 119.800 0.169 0.000 2.241 332 Q HA 0.080 4.419 4.340 -0.001 0.000 0.254 332 Q C -0.071 176.044 176.000 0.192 0.000 0.917 332 Q CA -0.531 55.371 55.803 0.164 0.000 0.919 332 Q CB 0.963 29.797 28.738 0.160 0.000 1.237 332 Q HN 0.071 nan 8.270 nan 0.000 0.434 333 Q N 4.437 124.333 119.800 0.160 0.000 2.244 333 Q HA -0.105 4.235 4.340 -0.001 0.000 0.278 333 Q C 0.232 176.367 176.000 0.224 0.000 1.093 333 Q CA 0.322 56.229 55.803 0.174 0.000 0.916 333 Q CB 0.164 28.968 28.738 0.110 0.000 1.159 333 Q HN 1.025 nan 8.270 nan 0.000 0.384 334 W N 5.692 127.067 121.300 0.123 0.000 2.333 334 W HA -0.234 4.426 4.660 -0.001 0.000 0.316 334 W C 0.528 177.128 176.519 0.135 0.000 1.215 334 W CA 1.746 59.188 57.345 0.162 0.000 1.278 334 W CB 0.257 29.860 29.460 0.238 0.000 1.154 334 W HN 0.689 nan 8.180 nan 0.000 0.486 335 D N 0.742 121.098 120.400 -0.073 0.000 2.117 335 D HA -0.215 4.425 4.640 -0.001 0.000 0.197 335 D C 2.122 178.287 176.300 -0.225 0.000 0.987 335 D CA 1.980 55.841 54.000 -0.232 0.000 0.829 335 D CB -0.478 40.300 40.800 -0.036 0.000 0.961 335 D HN 0.305 nan 8.370 nan 0.000 0.460 336 I N 0.665 121.169 120.570 -0.109 0.000 2.226 336 I HA -0.243 3.927 4.170 -0.001 0.000 0.245 336 I C 2.470 178.521 176.117 -0.110 0.000 1.100 336 I CA 0.476 61.727 61.300 -0.082 0.000 1.374 336 I CB -0.112 37.876 38.000 -0.020 0.000 1.057 336 I HN -0.023 nan 8.210 nan 0.000 0.413 337 L N 1.118 122.272 121.223 -0.114 0.000 1.994 337 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 337 L C 2.225 178.991 176.870 -0.172 0.000 1.071 337 L CA 1.920 56.731 54.840 -0.048 0.000 0.745 337 L CB -0.934 41.145 42.059 0.034 0.000 0.892 337 L HN 0.202 nan 8.230 nan 0.000 0.431 338 N N -0.036 118.309 118.700 -0.590 0.000 2.149 338 N HA -0.157 4.582 4.740 -0.001 0.000 0.188 338 N C 1.841 177.194 175.510 -0.262 0.000 1.019 338 N CA 1.581 54.263 53.050 -0.612 0.000 0.857 338 N CB -0.653 37.196 38.487 -1.063 0.000 0.997 338 N HN 0.496 nan 8.380 nan 0.000 0.426 339 G N -0.295 108.367 108.800 -0.230 0.000 2.422 339 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.218 339 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.218 339 G C 1.474 176.281 174.900 -0.155 0.000 1.146 339 G CA 0.553 45.562 45.100 -0.151 0.000 0.769 339 G HN 0.443 nan 8.290 nan 0.000 0.547 340 Q N -1.155 118.529 119.800 -0.195 0.000 2.187 340 Q HA 0.048 4.388 4.340 -0.001 0.000 0.199 340 Q C -0.043 175.610 176.000 -0.577 0.000 0.957 340 Q CA 0.632 56.204 55.803 -0.386 0.000 0.857 340 Q CB 0.215 28.674 28.738 -0.464 0.000 0.929 340 Q HN 0.633 nan 8.270 nan 0.000 0.453 341 Y N -0.400 119.877 120.300 -0.039 0.000 2.511 341 Y HA 0.236 4.786 4.550 -0.000 0.000 0.356 341 Y C -1.887 174.014 175.900 0.002 0.000 1.002 341 Y CA -2.021 56.084 58.100 0.008 0.000 1.127 341 Y CB 1.069 39.561 38.460 0.053 0.000 1.137 341 Y HN 0.073 nan 8.280 nan 0.000 0.652 342 P HA -0.020 nan 4.420 nan 0.000 0.231 342 P C 0.372 177.726 177.300 0.090 0.000 1.168 342 P CA 1.124 64.253 63.100 0.048 0.000 0.779 342 P CB 0.681 32.384 31.700 0.005 0.000 0.844 343 D N -0.509 119.962 120.400 0.118 0.000 2.249 343 D HA -0.050 4.590 4.640 -0.001 0.000 0.205 343 D C 0.571 176.966 176.300 0.160 0.000 0.962 343 D CA 0.817 54.891 54.000 0.124 0.000 0.860 343 D CB -0.683 40.187 40.800 0.118 0.000 0.955 343 D HN 0.106 nan 8.370 nan 0.000 0.505 344 D N 1.770 122.291 120.400 0.202 0.000 2.367 344 D HA -0.039 4.601 4.640 -0.001 0.000 0.255 344 D C 0.902 177.331 176.300 0.215 0.000 1.300 344 D CA 0.051 54.191 54.000 0.234 0.000 0.959 344 D CB 0.294 41.253 40.800 0.264 0.000 1.064 344 D HN 0.306 nan 8.370 nan 0.000 0.509 345 E N 2.307 122.628 120.200 0.201 0.000 2.502 345 E HA -0.130 4.220 4.350 -0.001 0.000 0.194 345 E C 0.416 177.069 176.600 0.088 0.000 1.062 345 E CA 0.310 56.788 56.400 0.131 0.000 0.867 345 E CB -0.019 29.707 29.700 0.044 0.000 0.888 345 E HN 0.513 nan 8.360 nan 0.000 0.510 346 Y N 0.071 120.431 120.300 0.100 0.000 2.442 346 Y HA 0.122 4.671 4.550 -0.001 0.000 0.250 346 Y C 1.783 177.330 175.900 -0.587 0.000 1.113 346 Y CA -0.348 57.713 58.100 -0.065 0.000 1.273 346 Y CB 0.418 38.892 38.460 0.024 0.000 1.138 346 Y HN 0.075 nan 8.280 nan 0.000 0.522 347 L N 0.604 121.607 121.223 -0.367 0.000 2.010 347 L HA -0.322 4.018 4.340 -0.001 0.000 0.219 347 L C 2.413 179.133 176.870 -0.250 0.000 1.077 347 L CA 2.343 56.875 54.840 -0.514 0.000 0.773 347 L CB -1.184 40.948 42.059 0.122 0.000 0.892 347 L HN 0.515 nan 8.230 nan 0.000 0.436 348 Y N -1.364 118.900 120.300 -0.061 0.000 2.384 348 Y HA -0.187 4.363 4.550 -0.000 0.000 0.289 348 Y C 2.248 177.950 175.900 -0.331 0.000 1.152 348 Y CA 1.454 59.314 58.100 -0.400 0.000 1.258 348 Y CB -0.791 37.236 38.460 -0.721 0.000 0.979 348 Y HN 0.401 nan 8.280 nan 0.000 0.549 349 Q N -1.066 118.081 119.800 -1.089 0.000 2.360 349 Q HA -0.014 4.326 4.340 -0.001 0.000 0.202 349 Q C 0.823 176.632 176.000 -0.317 0.000 0.915 349 Q CA -0.051 55.237 55.803 -0.859 0.000 0.943 349 Q CB 0.023 28.261 28.738 -0.833 0.000 1.064 349 Q HN 0.591 nan 8.270 nan 0.000 0.511 350 Y N -0.996 119.207 120.300 -0.162 0.000 2.373 350 Y HA -0.214 4.336 4.550 -0.001 0.000 0.293 350 Y C 2.377 178.272 175.900 -0.008 0.000 1.129 350 Y CA 0.024 58.134 58.100 0.017 0.000 1.226 350 Y CB -0.974 37.628 38.460 0.237 0.000 1.000 350 Y HN 0.314 nan 8.280 nan 0.000 0.549 351 c N -0.353 118.255 118.600 0.014 0.000 2.462 351 c HA -0.130 4.440 4.570 -0.001 0.000 0.278 351 c C 2.802 176.753 174.090 -0.232 0.000 1.253 351 c CA 0.710 56.981 56.329 -0.096 0.000 1.713 351 c CB -1.394 41.008 42.510 -0.180 0.000 2.049 351 c HN 0.512 nan 8.230 nan 0.000 0.477 352 L N 1.108 122.063 121.223 -0.447 0.000 1.989 352 L HA -0.086 4.253 4.340 -0.001 0.000 0.211 352 L C 2.364 179.050 176.870 -0.307 0.000 1.071 352 L CA 2.101 56.653 54.840 -0.480 0.000 0.749 352 L CB -0.882 40.780 42.059 -0.662 0.000 0.890 352 L HN 0.420 nan 8.230 nan 0.000 0.431 353 L N -0.773 120.301 121.223 -0.248 0.000 2.056 353 L HA -0.190 4.149 4.340 -0.001 0.000 0.207 353 L C 2.711 179.441 176.870 -0.234 0.000 1.078 353 L CA 1.471 56.147 54.840 -0.272 0.000 0.749 353 L CB -0.890 41.079 42.059 -0.150 0.000 0.901 353 L HN 0.533 nan 8.230 nan 0.000 0.433 354 S N -1.038 114.638 115.700 -0.040 0.000 2.368 354 S HA -0.178 4.292 4.470 -0.001 0.000 0.225 354 S C 2.085 176.694 174.600 0.014 0.000 1.030 354 S CA 1.480 59.717 58.200 0.062 0.000 0.999 354 S CB -0.538 62.769 63.200 0.179 0.000 0.844 354 S HN 0.332 nan 8.310 nan 0.000 0.459 355 S N 1.029 116.686 115.700 -0.073 0.000 2.382 355 S HA -0.056 4.413 4.470 -0.001 0.000 0.228 355 S C 1.591 176.124 174.600 -0.111 0.000 1.027 355 S CA 1.295 59.424 58.200 -0.118 0.000 0.991 355 S CB -0.663 62.420 63.200 -0.195 0.000 0.823 355 S HN 0.757 nan 8.310 nan 0.000 0.469 356 Y N 1.355 121.465 120.300 -0.316 0.000 2.163 356 Y HA -0.160 4.390 4.550 -0.000 0.000 0.288 356 Y C 1.929 177.658 175.900 -0.286 0.000 1.136 356 Y CA 1.175 59.053 58.100 -0.369 0.000 1.147 356 Y CB -0.700 37.467 38.460 -0.488 0.000 0.987 356 Y HN 0.157 nan 8.280 nan 0.000 0.509 357 Y N -0.812 119.249 120.300 -0.399 0.000 2.145 357 Y HA -0.264 4.285 4.550 -0.001 0.000 0.286 357 Y C 2.554 178.249 175.900 -0.341 0.000 1.145 357 Y CA 1.665 59.477 58.100 -0.481 0.000 1.148 357 Y CB -1.633 36.654 38.460 -0.287 0.000 0.981 357 Y HN 0.338 nan 8.280 nan 0.000 0.507 358 Y N 0.189 120.399 120.300 -0.149 0.000 2.128 358 Y HA -0.283 4.267 4.550 -0.000 0.000 0.284 358 Y C 2.545 178.305 175.900 -0.233 0.000 1.154 358 Y CA 1.639 59.640 58.100 -0.165 0.000 1.149 358 Y CB -0.546 37.850 38.460 -0.107 0.000 0.976 358 Y HN 0.071 nan 8.280 nan 0.000 0.505 359 A N 0.044 122.865 122.820 0.001 0.000 1.892 359 A HA -0.253 4.067 4.320 -0.001 0.000 0.218 359 A C 2.140 179.528 177.584 -0.326 0.000 1.188 359 A CA 1.978 53.941 52.037 -0.122 0.000 0.631 359 A CB -1.261 17.647 19.000 -0.152 0.000 0.822 359 A HN 0.564 nan 8.150 nan 0.000 0.447 360 L N -0.836 120.090 121.223 -0.495 0.000 2.005 360 L HA -0.076 4.264 4.340 -0.001 0.000 0.207 360 L C 2.534 178.887 176.870 -0.862 0.000 1.072 360 L CA 2.279 56.683 54.840 -0.727 0.000 0.744 360 L CB -0.520 41.047 42.059 -0.821 0.000 0.895 360 L HN 0.445 nan 8.230 nan 0.000 0.433 361 M N -2.225 117.002 119.600 -0.622 0.000 2.236 361 M HA -0.102 4.377 4.480 -0.001 0.000 0.266 361 M C 1.922 177.974 176.300 -0.415 0.000 1.070 361 M CA 1.124 56.131 55.300 -0.487 0.000 1.137 361 M CB -0.049 32.324 32.600 -0.379 0.000 1.378 361 M HN 0.152 nan 8.290 nan 0.000 0.426 362 V N -0.036 119.589 119.914 -0.481 0.000 2.326 362 V HA -0.156 3.964 4.120 -0.001 0.000 0.238 362 V C 1.467 177.387 176.094 -0.289 0.000 1.038 362 V CA 1.654 63.676 62.300 -0.463 0.000 1.032 362 V CB -0.573 30.725 31.823 -0.875 0.000 0.675 362 V HN 0.286 nan 8.190 nan 0.000 0.467 363 D N 0.587 120.843 120.400 -0.239 0.000 2.224 363 D HA -0.026 4.613 4.640 -0.001 0.000 0.205 363 D C 1.889 178.082 176.300 -0.178 0.000 0.965 363 D CA 1.390 55.302 54.000 -0.147 0.000 0.852 363 D CB -0.298 40.452 40.800 -0.084 0.000 0.947 363 D HN 0.453 nan 8.370 nan 0.000 0.494 364 G N -0.248 108.378 108.800 -0.291 0.000 2.664 364 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.216 364 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.216 364 G C 0.998 175.786 174.900 -0.186 0.000 1.243 364 G CA -0.050 44.847 45.100 -0.338 0.000 0.859 364 G HN 0.138 nan 8.290 nan 0.000 0.574 365 Y N 1.241 121.403 120.300 -0.229 0.000 2.421 365 Y HA 0.182 4.731 4.550 -0.001 0.000 0.292 365 Y C 2.447 178.244 175.900 -0.172 0.000 1.136 365 Y CA 0.088 58.068 58.100 -0.201 0.000 1.255 365 Y CB -0.674 37.603 38.460 -0.305 0.000 0.991 365 Y HN 0.423 nan 8.280 nan 0.000 0.552 366 G N 0.239 109.007 108.800 -0.053 0.000 2.136 366 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.242 366 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.242 366 G C 0.159 175.008 174.900 -0.085 0.000 0.989 366 G CA 0.098 45.157 45.100 -0.070 0.000 0.682 366 G HN 0.322 nan 8.290 nan 0.000 0.522 367 I N 1.071 121.560 120.570 -0.135 0.000 2.648 367 I HA 0.040 4.210 4.170 -0.001 0.000 0.284 367 I C 1.105 177.124 176.117 -0.164 0.000 1.153 367 I CA -0.429 60.781 61.300 -0.150 0.000 1.426 367 I CB 0.501 38.325 38.000 -0.293 0.000 1.381 367 I HN 0.183 nan 8.210 nan 0.000 0.571 368 N N 8.999 127.642 118.700 -0.095 0.000 2.447 368 N HA 0.016 4.756 4.740 -0.001 0.000 0.263 368 N C -1.528 173.902 175.510 -0.133 0.000 1.226 368 N CA -1.047 51.948 53.050 -0.092 0.000 0.906 368 N CB 1.247 39.711 38.487 -0.039 0.000 1.060 368 N HN 0.338 nan 8.380 nan 0.000 0.468 369 P HA -0.104 nan 4.420 nan 0.000 0.222 369 P C -0.127 177.142 177.300 -0.052 0.000 1.142 369 P CA 1.453 64.462 63.100 -0.152 0.000 0.788 369 P CB 0.207 31.888 31.700 -0.033 0.000 0.767 370 N N -1.587 117.093 118.700 -0.033 0.000 2.236 370 N HA 0.016 4.756 4.740 -0.001 0.000 0.196 370 N C 0.580 176.073 175.510 -0.029 0.000 1.114 370 N CA -0.273 52.770 53.050 -0.013 0.000 0.859 370 N CB -0.111 38.378 38.487 0.004 0.000 0.982 370 N HN 0.049 nan 8.380 nan 0.000 0.493 371 Q N 1.484 121.259 119.800 -0.042 0.000 2.311 371 Q HA 0.104 4.444 4.340 -0.001 0.000 0.272 371 Q C -0.588 175.372 176.000 -0.068 0.000 1.012 371 Q CA 0.312 56.097 55.803 -0.029 0.000 0.891 371 Q CB 0.437 29.180 28.738 0.008 0.000 1.201 371 Q HN 0.037 nan 8.270 nan 0.000 0.391 372 T N 5.805 120.305 114.554 -0.090 0.000 2.867 372 T HA 0.175 4.525 4.350 -0.001 0.000 0.297 372 T C -0.147 174.407 174.700 -0.244 0.000 0.989 372 T CA 0.019 61.996 62.100 -0.205 0.000 1.159 372 T CB 0.048 68.743 68.868 -0.289 0.000 0.928 372 T HN 0.406 nan 8.240 nan 0.000 0.538 373 I N 4.481 124.875 120.570 -0.293 0.000 2.354 373 I HA 0.257 4.426 4.170 -0.001 0.000 0.286 373 I C 0.379 176.278 176.117 -0.363 0.000 1.007 373 I CA -0.912 60.246 61.300 -0.236 0.000 1.167 373 I CB 0.588 38.467 38.000 -0.201 0.000 1.320 373 I HN 0.663 nan 8.210 nan 0.000 0.458 374 H N 6.276 125.125 119.070 -0.368 0.000 2.707 374 H HA 0.358 4.913 4.556 -0.001 0.000 0.359 374 H C -0.564 174.612 175.328 -0.253 0.000 1.113 374 H CA 0.314 56.053 56.048 -0.515 0.000 1.422 374 H CB 0.472 29.533 29.762 -1.168 0.000 1.443 374 H HN 0.523 nan 8.280 nan 0.000 0.591 375 Y N -0.329 119.921 120.300 -0.084 0.000 2.477 375 Y HA 0.437 4.987 4.550 -0.001 0.000 0.347 375 Y C -1.271 174.660 175.900 0.053 0.000 0.981 375 Y CA -1.637 56.442 58.100 -0.036 0.000 1.033 375 Y CB 0.849 39.224 38.460 -0.143 0.000 1.245 375 Y HN 0.326 nan 8.280 nan 0.000 0.455 376 I N 5.454 126.170 120.570 0.242 0.000 2.436 376 I HA 0.199 4.369 4.170 -0.001 0.000 0.289 376 I C -2.209 174.048 176.117 0.232 0.000 1.083 376 I CA -2.768 58.636 61.300 0.173 0.000 1.372 376 I CB 0.245 38.337 38.000 0.153 0.000 1.408 376 I HN 0.511 nan 8.210 nan 0.000 0.516 377 P HA 0.150 nan 4.420 nan 0.000 0.269 377 P C -2.145 175.246 177.300 0.153 0.000 1.209 377 P CA -1.196 62.046 63.100 0.238 0.000 0.776 377 P CB 0.094 31.881 31.700 0.146 0.000 0.876 378 P HA -0.185 nan 4.420 nan 0.000 0.215 378 P C 1.663 179.011 177.300 0.079 0.000 1.153 378 P CA 2.148 65.301 63.100 0.088 0.000 0.853 378 P CB -0.635 31.105 31.700 0.066 0.000 0.788 379 E N 0.443 120.690 120.200 0.079 0.000 2.171 379 E HA -0.289 4.061 4.350 -0.001 0.000 0.197 379 E C 2.011 178.647 176.600 0.059 0.000 0.997 379 E CA 1.596 58.035 56.400 0.065 0.000 0.810 379 E CB -1.671 nan 29.700 nan 0.000 0.738 379 E HN 0.421 nan 8.360 nan 0.000 0.467 380 Q N -1.585 118.254 119.800 0.065 0.000 2.291 380 Q HA -0.019 4.321 4.340 -0.001 0.000 0.205 380 Q C 1.228 177.262 176.000 0.058 0.000 0.970 380 Q CA 0.910 56.747 55.803 0.057 0.000 0.876 380 Q CB -0.435 28.337 28.738 0.055 0.000 0.935 380 Q HN 0.884 nan 8.270 nan 0.000 0.455 381 N N 0.341 119.080 118.700 0.064 0.000 2.696 381 N HA -0.199 4.541 4.740 -0.001 0.000 0.256 381 N C -0.506 175.040 175.510 0.060 0.000 1.031 381 N CA 0.783 53.871 53.050 0.063 0.000 0.730 381 N CB -2.245 nan 38.487 nan 0.000 0.894 381 N HN 0.337 nan 8.380 nan 0.000 0.544 382 L N -0.082 121.180 121.223 0.065 0.000 2.292 382 L HA 0.658 4.998 4.340 -0.001 0.000 0.284 382 L C 0.060 176.959 176.870 0.049 0.000 1.065 382 L CA -0.420 54.456 54.840 0.059 0.000 0.806 382 L CB 1.426 43.527 42.059 0.070 0.000 1.175 382 L HN 0.541 nan 8.230 nan 0.000 0.431 383 D N 3.573 123.968 120.400 -0.008 0.000 2.649 383 D HA 0.176 4.816 4.640 -0.001 0.000 0.249 383 D C 0.692 176.933 176.300 -0.097 0.000 1.112 383 D CA -0.584 53.362 54.000 -0.091 0.000 0.850 383 D CB 0.906 41.517 40.800 -0.314 0.000 1.399 383 D HN 0.588 nan 8.370 nan 0.000 0.503 384 W N 3.113 124.408 121.300 -0.007 0.000 2.341 384 W HA -0.227 4.432 4.660 -0.001 0.000 0.283 384 W C 1.020 177.507 176.519 -0.055 0.000 1.215 384 W CA 1.646 59.006 57.345 0.025 0.000 1.211 384 W CB -1.601 27.922 29.460 0.105 0.000 1.131 384 W HN 0.442 nan 8.180 nan 0.000 0.552 385 T N -0.443 113.593 114.554 -0.863 0.000 2.977 385 T HA -0.166 4.183 4.350 -0.001 0.000 0.271 385 T C 1.823 176.187 174.700 -0.560 0.000 1.105 385 T CA 1.567 63.154 62.100 -0.855 0.000 1.116 385 T CB -0.799 67.540 68.868 -0.882 0.000 0.878 385 T HN 0.277 nan 8.240 nan 0.000 0.509 386 I N 1.829 122.098 120.570 -0.502 0.000 2.286 386 I HA -0.047 4.123 4.170 -0.001 0.000 0.248 386 I C 3.018 178.857 176.117 -0.465 0.000 1.115 386 I CA 1.294 62.211 61.300 -0.639 0.000 1.392 386 I CB -0.874 36.854 38.000 -0.455 0.000 1.065 386 I HN 0.424 nan 8.210 nan 0.000 0.418 387 G N 0.581 109.264 108.800 -0.196 0.000 2.442 387 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.219 387 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.219 387 G C 1.694 176.510 174.900 -0.141 0.000 1.141 387 G CA 1.033 46.136 45.100 0.004 0.000 0.763 387 G HN 0.272 nan 8.290 nan 0.000 0.554 388 V N 0.547 120.134 119.914 -0.546 0.000 2.343 388 V HA -0.178 3.941 4.120 -0.001 0.000 0.247 388 V C 3.022 178.800 176.094 -0.526 0.000 1.051 388 V CA 1.487 63.334 62.300 -0.755 0.000 1.036 388 V CB -0.505 30.822 31.823 -0.827 0.000 0.654 388 V HN 0.261 nan 8.190 nan 0.000 0.451 389 V N -0.049 119.523 119.914 -0.569 0.000 2.252 389 V HA -0.311 3.808 4.120 -0.001 0.000 0.249 389 V C 2.366 178.150 176.094 -0.517 0.000 1.056 389 V CA 2.273 64.205 62.300 -0.612 0.000 1.022 389 V CB -0.663 30.697 31.823 -0.772 0.000 0.641 389 V HN 0.435 nan 8.190 nan 0.000 0.445 390 L N -0.800 120.171 121.223 -0.420 0.000 2.042 390 L HA -0.243 4.097 4.340 -0.001 0.000 0.210 390 L C 2.588 179.375 176.870 -0.139 0.000 1.076 390 L CA 2.131 56.797 54.840 -0.290 0.000 0.749 390 L CB -0.662 41.271 42.059 -0.210 0.000 0.893 390 L HN 0.427 nan 8.230 nan 0.000 0.432 391 H N -0.837 118.143 119.070 -0.151 0.000 2.415 391 H HA 0.067 4.623 4.556 -0.001 0.000 0.297 391 H C 1.990 177.270 175.328 -0.081 0.000 1.048 391 H CA 1.119 57.145 56.048 -0.037 0.000 1.365 391 H CB 0.405 30.281 29.762 0.190 0.000 1.421 391 H HN -0.038 nan 8.280 nan 0.000 0.533 392 R N -0.287 120.103 120.500 -0.183 0.000 2.316 392 R HA 0.409 4.748 4.340 -0.001 0.000 0.201 392 R C 0.655 176.825 176.300 -0.217 0.000 0.888 392 R CA 0.538 56.494 56.100 -0.240 0.000 1.041 392 R CB 0.150 30.220 30.300 -0.384 0.000 1.115 392 R HN 0.217 nan 8.270 nan 0.000 0.559 393 A N 0.000 122.641 122.820 -0.299 0.000 2.254 393 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 393 A CA 0.000 51.901 52.037 -0.227 0.000 0.836 393 A CB 0.000 18.651 19.000 -0.581 0.000 0.831 393 A HN 0.000 nan 8.150 nan 0.000 0.486