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 2vgb_1_B DATA FIRST_RESID 57 DATA SEQUENCE QQQQLPAAMA DTFLEHLCLL DIDSEPVAAR STSIIATIGP ASRSVERLKE DATA SEQUENCE MIKAGMNIAR LNFSHGSHEY HAESIANVRE AVESFAGSPL SYRPVAIALD DATA SEQUENCE TKGPEIRTGI XXXXXXXXVE LVKGSQVLVT XXXXXXXXXX ANTVWVDYPN DATA SEQUENCE IVRVVPVGGR IYIDDGLISL VVXXXXXXXX VTQVENGGVL GSRKGVNLPG DATA SEQUENCE AQVDLPGLSE QDVRDLRFGV EHGVDIVFAS FVRKASDVAA VRAALGPEGH DATA SEQUENCE GIKIISKIEN HEGVKRFDEI LEVSDGIMVA RGDLGIEIPA EKVFLAQKMM DATA SEQUENCE IGRCNLAGKP VVCATQMLES MITKPRPTRA ETSDVANAVL DGADCIMLSG DATA SEQUENCE ETAKGNFPVE AVKMQHAIAR EAEAAVYHRQ LFEELRRAAP LSRDPTEVTA DATA SEQUENCE IGAVEAAFKC CAAAIIVLTT TGRSAQLLSR YRPRAAVIAV TRSAQAARQV DATA SEQUENCE HLCRGVFPLL YREPPEAIWA DDVDRRVQFG IESGKLRGFL RVGDLVIVVT DATA SEQUENCE GWRPGSGYTN IMRVLSI 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 57 Q HA 0.000 nan 4.340 nan 0.000 0.214 57 Q C 0.000 176.011 176.000 0.019 0.000 1.003 57 Q CA 0.000 55.814 55.803 0.018 0.000 1.022 57 Q CB 0.000 28.753 28.738 0.025 0.000 1.108 58 Q N 0.087 119.901 119.800 0.025 0.000 2.486 58 Q HA 0.529 4.843 4.340 -0.044 0.000 0.274 58 Q C -0.564 175.459 176.000 0.039 0.000 1.076 58 Q CA -0.598 55.220 55.803 0.026 0.000 0.872 58 Q CB 1.277 30.029 28.738 0.023 0.000 1.383 58 Q HN 0.535 nan 8.270 nan 0.000 0.478 59 Q N 0.094 119.919 119.800 0.042 0.000 2.439 59 Q HA -0.295 4.019 4.340 -0.044 0.000 0.247 59 Q C -0.825 175.223 176.000 0.081 0.000 0.899 59 Q CA 0.605 56.445 55.803 0.062 0.000 1.201 59 Q CB -1.045 27.734 28.738 0.069 0.000 1.608 59 Q HN 0.602 nan 8.270 nan 0.000 0.563 60 Q N -1.879 117.955 119.800 0.057 0.000 2.463 60 Q HA -0.230 4.083 4.340 -0.044 0.000 0.299 60 Q C 0.507 176.563 176.000 0.093 0.000 1.353 60 Q CA 1.061 56.896 55.803 0.054 0.000 0.828 60 Q CB -1.355 27.416 28.738 0.054 0.000 1.157 60 Q HN 0.372 nan 8.270 nan 0.000 0.436 61 L N 0.371 121.643 121.223 0.082 0.000 2.044 61 L HA -0.016 4.297 4.340 -0.044 0.000 0.205 61 L C -0.404 176.523 176.870 0.096 0.000 1.075 61 L CA 1.942 56.843 54.840 0.101 0.000 0.747 61 L CB -1.519 40.588 42.059 0.081 0.000 0.903 61 L HN 0.199 nan 8.230 nan 0.000 0.435 62 P HA -0.201 nan 4.420 nan 0.000 0.216 62 P C 1.532 178.869 177.300 0.062 0.000 1.154 62 P CA 2.074 65.202 63.100 0.047 0.000 0.865 62 P CB -0.046 31.662 31.700 0.014 0.000 0.789 63 A N -0.411 122.437 122.820 0.048 0.000 1.969 63 A HA -0.030 4.263 4.320 -0.044 0.000 0.218 63 A C 2.288 180.066 177.584 0.323 0.000 1.169 63 A CA 1.775 53.841 52.037 0.048 0.000 0.635 63 A CB -1.460 17.447 19.000 -0.156 0.000 0.810 63 A HN 0.200 nan 8.150 nan 0.000 0.445 64 A N -0.709 122.296 122.820 0.308 0.000 1.969 64 A HA -0.047 4.246 4.320 -0.044 0.000 0.218 64 A C 1.920 179.698 177.584 0.322 0.000 1.169 64 A CA 1.609 53.870 52.037 0.373 0.000 0.635 64 A CB -0.391 18.788 19.000 0.299 0.000 0.810 64 A HN 0.431 nan 8.150 nan 0.000 0.445 65 M N 0.027 119.762 119.600 0.225 0.000 2.618 65 M HA 0.218 4.671 4.480 -0.044 0.000 0.240 65 M C 1.006 177.416 176.300 0.182 0.000 1.123 65 M CA 0.063 55.466 55.300 0.171 0.000 1.060 65 M CB -1.535 31.131 32.600 0.111 0.000 1.535 65 M HN 0.373 nan 8.290 nan 0.000 0.507 66 A N 1.123 124.087 122.820 0.239 0.000 2.445 66 A HA 0.066 4.360 4.320 -0.044 0.000 0.242 66 A C 0.869 178.605 177.584 0.253 0.000 1.075 66 A CA -0.032 52.107 52.037 0.170 0.000 0.777 66 A CB 0.299 19.328 19.000 0.048 0.000 1.013 66 A HN 0.367 nan 8.150 nan 0.000 0.493 67 D N -0.185 120.308 120.400 0.155 0.000 2.333 67 D HA 0.020 4.634 4.640 -0.044 0.000 0.208 67 D C 0.712 177.127 176.300 0.191 0.000 0.984 67 D CA 1.667 55.764 54.000 0.162 0.000 0.873 67 D CB 0.261 41.114 40.800 0.089 0.000 0.935 67 D HN 0.760 nan 8.370 nan 0.000 0.521 68 T N -3.679 110.954 114.554 0.132 0.000 2.883 68 T HA 0.258 4.581 4.350 -0.044 0.000 0.296 68 T C 0.552 175.227 174.700 -0.041 0.000 1.117 68 T CA -0.868 61.303 62.100 0.119 0.000 1.006 68 T CB 1.411 70.322 68.868 0.071 0.000 1.191 68 T HN -0.133 nan 8.240 nan 0.000 0.508 69 F N 0.584 120.470 119.950 -0.108 0.000 2.146 69 F HA 0.045 4.555 4.527 -0.028 0.000 0.298 69 F C 1.925 177.638 175.800 -0.144 0.000 1.096 69 F CA 1.040 58.891 58.000 -0.248 0.000 1.275 69 F CB -0.145 38.825 39.000 -0.049 0.000 1.008 69 F HN 0.518 nan 8.300 nan 0.000 0.480 70 L N 1.087 122.246 121.223 -0.107 0.000 1.971 70 L HA -0.270 4.043 4.340 -0.044 0.000 0.215 70 L C 2.401 179.142 176.870 -0.216 0.000 1.072 70 L CA 2.322 57.064 54.840 -0.163 0.000 0.758 70 L CB -1.182 40.853 42.059 -0.040 0.000 0.889 70 L HN 0.319 nan 8.230 nan 0.000 0.433 71 E N -1.842 118.268 120.200 -0.149 0.000 2.118 71 E HA -0.347 3.976 4.350 -0.044 0.000 0.195 71 E C 2.150 178.631 176.600 -0.198 0.000 0.992 71 E CA 1.426 57.747 56.400 -0.132 0.000 0.804 71 E CB -0.147 29.514 29.700 -0.066 0.000 0.741 71 E HN 0.740 nan 8.360 nan 0.000 0.458 72 H N 0.537 119.350 119.070 -0.430 0.000 2.253 72 H HA -0.150 4.377 4.556 -0.048 0.000 0.296 72 H C 2.143 177.211 175.328 -0.433 0.000 1.067 72 H CA 2.345 58.080 56.048 -0.522 0.000 1.245 72 H CB -0.551 28.608 29.762 -1.007 0.000 1.364 72 H HN 0.116 nan 8.280 nan 0.000 0.494 73 L N -0.456 120.376 121.223 -0.652 0.000 2.034 73 L HA -0.328 3.985 4.340 -0.044 0.000 0.217 73 L C 2.818 179.467 176.870 -0.368 0.000 1.077 73 L CA 1.595 56.104 54.840 -0.551 0.000 0.769 73 L CB -0.837 40.938 42.059 -0.473 0.000 0.890 73 L HN 0.497 nan 8.230 nan 0.000 0.435 74 C N -0.390 118.741 119.300 -0.281 0.000 2.430 74 C HA -0.094 4.340 4.460 -0.044 0.000 0.288 74 C C 2.351 177.238 174.990 -0.172 0.000 1.448 74 C CA 0.588 59.494 59.018 -0.186 0.000 1.784 74 C CB -1.003 26.654 27.740 -0.138 0.000 1.776 74 C HN 0.445 nan 8.230 nan 0.000 0.547 75 L N -0.708 120.381 121.223 -0.223 0.000 2.766 75 L HA 0.249 4.562 4.340 -0.044 0.000 0.242 75 L C 0.481 177.241 176.870 -0.183 0.000 1.136 75 L CA -0.085 54.653 54.840 -0.171 0.000 0.933 75 L CB -0.114 41.866 42.059 -0.132 0.000 1.241 75 L HN 0.202 nan 8.230 nan 0.000 0.522 76 L N 1.639 122.708 121.223 -0.257 0.000 2.578 76 L HA -0.055 4.258 4.340 -0.044 0.000 0.279 76 L C -0.130 176.667 176.870 -0.121 0.000 1.227 76 L CA 0.692 55.407 54.840 -0.208 0.000 0.900 76 L CB 0.045 41.962 42.059 -0.237 0.000 1.144 76 L HN 0.058 nan 8.230 nan 0.000 0.496 77 D N 3.349 123.699 120.400 -0.083 0.000 2.549 77 D HA 0.218 4.831 4.640 -0.044 0.000 0.251 77 D C 0.767 177.043 176.300 -0.040 0.000 1.153 77 D CA -0.574 53.394 54.000 -0.055 0.000 0.861 77 D CB 1.496 42.272 40.800 -0.041 0.000 1.207 77 D HN 0.444 nan 8.370 nan 0.000 0.543 78 I N 0.234 120.782 120.570 -0.037 0.000 2.567 78 I HA -0.048 4.095 4.170 -0.044 0.000 0.257 78 I C 0.574 176.680 176.117 -0.018 0.000 1.184 78 I CA 0.964 62.247 61.300 -0.027 0.000 1.451 78 I CB 0.123 38.107 38.000 -0.027 0.000 1.089 78 I HN 0.031 nan 8.210 nan 0.000 0.441 79 D N 1.120 121.510 120.400 -0.017 0.000 2.328 79 D HA 0.072 4.685 4.640 -0.044 0.000 0.226 79 D C 0.552 176.849 176.300 -0.006 0.000 1.066 79 D CA 0.423 54.416 54.000 -0.010 0.000 0.861 79 D CB 0.273 41.067 40.800 -0.010 0.000 0.912 79 D HN 0.241 nan 8.370 nan 0.000 0.521 80 S N 1.422 117.118 115.700 -0.007 0.000 2.415 80 S HA 0.081 4.525 4.470 -0.044 0.000 0.313 80 S C 0.010 174.613 174.600 0.005 0.000 1.067 80 S CA -0.631 57.569 58.200 0.001 0.000 1.099 80 S CB 0.289 63.490 63.200 0.001 0.000 0.991 80 S HN -0.099 nan 8.310 nan 0.000 0.491 81 E N 5.045 125.250 120.200 0.008 0.000 2.376 81 E HA 0.246 4.570 4.350 -0.044 0.000 0.266 81 E C -2.196 174.413 176.600 0.016 0.000 1.009 81 E CA -2.232 54.174 56.400 0.011 0.000 0.902 81 E CB 0.102 29.809 29.700 0.012 0.000 0.972 81 E HN 0.434 nan 8.360 nan 0.000 0.439 82 P HA 0.091 nan 4.420 nan 0.000 0.271 82 P C -0.505 176.809 177.300 0.024 0.000 1.233 82 P CA -0.223 62.889 63.100 0.020 0.000 0.789 82 P CB 0.641 32.345 31.700 0.006 0.000 0.951 83 V N 0.888 120.819 119.914 0.028 0.000 3.029 83 V HA 0.597 4.691 4.120 -0.044 0.000 0.253 83 V C -0.887 175.221 176.094 0.025 0.000 0.859 83 V CA 0.216 62.533 62.300 0.028 0.000 0.970 83 V CB 0.482 32.319 31.823 0.025 0.000 1.003 83 V HN 0.886 nan 8.190 nan 0.000 0.507 84 A N 3.153 125.991 122.820 0.030 0.000 2.574 84 A HA 0.820 5.114 4.320 -0.044 0.000 0.298 84 A C -0.392 177.209 177.584 0.028 0.000 0.987 84 A CA 0.050 52.090 52.037 0.005 0.000 0.678 84 A CB 0.542 19.537 19.000 -0.007 0.000 1.296 84 A HN 1.865 nan 8.150 nan 0.000 0.420 85 A N 1.200 123.999 122.820 -0.035 0.000 2.483 85 A HA 0.562 4.856 4.320 -0.044 0.000 0.238 85 A C 0.730 178.400 177.584 0.144 0.000 1.070 85 A CA 0.534 52.590 52.037 0.032 0.000 0.770 85 A CB -0.093 18.669 19.000 -0.396 0.000 1.008 85 A HN 1.521 nan 8.150 nan 0.000 0.497 86 R N 1.376 122.016 120.500 0.233 0.000 2.438 86 R HA 0.386 4.700 4.340 -0.044 0.000 0.287 86 R C 0.544 177.008 176.300 0.273 0.000 1.077 86 R CA 0.266 56.469 56.100 0.173 0.000 1.034 86 R CB 0.508 30.840 30.300 0.052 0.000 0.993 86 R HN 0.590 nan 8.270 nan 0.000 0.459 87 S N 0.863 116.667 115.700 0.174 0.000 2.486 87 S HA -0.019 4.425 4.470 -0.044 0.000 0.220 87 S C 0.370 174.958 174.600 -0.020 0.000 1.011 87 S CA -0.204 58.041 58.200 0.074 0.000 0.921 87 S CB 0.111 63.357 63.200 0.078 0.000 0.785 87 S HN 0.659 nan 8.310 nan 0.000 0.517 88 T N 3.818 118.386 114.554 0.024 0.000 2.752 88 T HA 0.354 4.678 4.350 -0.044 0.000 0.295 88 T C 0.009 174.720 174.700 0.018 0.000 0.923 88 T CA -0.147 61.960 62.100 0.012 0.000 1.112 88 T CB 0.721 69.602 68.868 0.021 0.000 0.884 88 T HN 0.231 nan 8.240 nan 0.000 0.525 89 S N 3.226 118.926 115.700 0.000 0.000 2.580 89 S HA 0.372 4.815 4.470 -0.044 0.000 0.274 89 S C 0.372 174.977 174.600 0.008 0.000 1.329 89 S CA -0.662 57.535 58.200 -0.004 0.000 1.036 89 S CB 0.387 63.584 63.200 -0.005 0.000 0.919 89 S HN 0.526 nan 8.310 nan 0.000 0.515 90 I N 2.686 123.256 120.570 -0.001 0.000 2.354 90 I HA 0.389 4.532 4.170 -0.044 0.000 0.292 90 I C -0.558 175.570 176.117 0.018 0.000 0.989 90 I CA -0.393 60.918 61.300 0.018 0.000 1.188 90 I CB 1.069 39.087 38.000 0.029 0.000 1.342 90 I HN 0.435 nan 8.210 nan 0.000 0.457 91 I N 5.853 126.453 120.570 0.051 0.000 2.336 91 I HA 0.540 4.684 4.170 -0.044 0.000 0.292 91 I C 0.150 176.319 176.117 0.087 0.000 0.991 91 I CA -0.335 61.021 61.300 0.094 0.000 1.227 91 I CB 1.582 39.680 38.000 0.163 0.000 1.366 91 I HN 0.584 nan 8.210 nan 0.000 0.466 92 A N 4.465 127.335 122.820 0.084 0.000 2.331 92 A HA 0.680 4.973 4.320 -0.044 0.000 0.320 92 A C -0.192 177.452 177.584 0.100 0.000 1.138 92 A CA -0.511 51.573 52.037 0.079 0.000 0.790 92 A CB 0.929 19.962 19.000 0.056 0.000 1.206 92 A HN 0.638 nan 8.150 nan 0.000 0.470 93 T N 3.848 118.465 114.554 0.105 0.000 2.832 93 T HA 0.346 4.669 4.350 -0.044 0.000 0.296 93 T C 0.400 175.163 174.700 0.105 0.000 0.968 93 T CA -0.068 62.105 62.100 0.123 0.000 1.107 93 T CB 0.155 69.099 68.868 0.127 0.000 0.916 93 T HN 0.397 nan 8.240 nan 0.000 0.517 94 I N 3.328 123.968 120.570 0.117 0.000 2.441 94 I HA 0.539 4.683 4.170 -0.044 0.000 0.287 94 I C 0.995 177.187 176.117 0.125 0.000 1.049 94 I CA 0.184 61.545 61.300 0.101 0.000 1.381 94 I CB 0.387 38.441 38.000 0.091 0.000 1.409 94 I HN 0.837 nan 8.210 nan 0.000 0.523 95 G N 6.804 115.662 108.800 0.096 0.000 2.731 95 G HA2 0.461 4.394 3.960 -0.044 0.000 0.309 95 G HA3 0.461 4.394 3.960 -0.044 0.000 0.309 95 G C -2.576 172.374 174.900 0.083 0.000 1.273 95 G CA -0.343 44.826 45.100 0.115 0.000 0.798 95 G HN 0.259 nan 8.290 nan 0.000 0.509 96 P HA -0.023 nan 4.420 nan 0.000 0.218 96 P C 1.828 179.138 177.300 0.016 0.000 1.148 96 P CA 2.130 65.257 63.100 0.046 0.000 0.822 96 P CB 0.096 31.810 31.700 0.024 0.000 0.784 97 A N -0.408 122.418 122.820 0.009 0.000 2.119 97 A HA -0.007 4.287 4.320 -0.044 0.000 0.217 97 A C 1.551 179.137 177.584 0.002 0.000 1.153 97 A CA 1.538 53.571 52.037 -0.006 0.000 0.692 97 A CB -0.785 18.209 19.000 -0.010 0.000 0.799 97 A HN 0.324 nan 8.150 nan 0.000 0.458 98 S N -2.472 113.237 115.700 0.016 0.000 2.794 98 S HA 0.462 4.906 4.470 -0.044 0.000 0.244 98 S C 0.409 175.017 174.600 0.013 0.000 1.045 98 S CA -0.413 57.799 58.200 0.020 0.000 1.114 98 S CB 0.170 63.390 63.200 0.034 0.000 1.085 98 S HN 0.455 nan 8.310 nan 0.000 0.488 99 R N 1.210 121.708 120.500 -0.003 0.000 2.435 99 R HA 0.241 4.554 4.340 -0.044 0.000 0.221 99 R C 0.464 176.746 176.300 -0.031 0.000 0.885 99 R CA 0.666 56.748 56.100 -0.030 0.000 1.018 99 R CB 0.600 30.864 30.300 -0.059 0.000 1.259 99 R HN 0.527 nan 8.270 nan 0.000 0.597 100 S N 0.115 115.805 115.700 -0.017 0.000 2.533 100 S HA 0.032 4.475 4.470 -0.044 0.000 0.282 100 S C 1.587 176.185 174.600 -0.003 0.000 1.304 100 S CA -0.591 57.600 58.200 -0.014 0.000 1.063 100 S CB 1.563 64.757 63.200 -0.011 0.000 0.881 100 S HN -0.011 nan 8.310 nan 0.000 0.493 101 V N 3.182 123.094 119.914 -0.004 0.000 2.277 101 V HA -0.215 3.879 4.120 -0.044 0.000 0.255 101 V C 2.753 178.854 176.094 0.011 0.000 1.074 101 V CA 2.424 64.727 62.300 0.006 0.000 1.058 101 V CB -0.908 30.913 31.823 -0.003 0.000 0.656 101 V HN 0.872 nan 8.190 nan 0.000 0.449 102 E N -0.564 119.638 120.200 0.003 0.000 2.150 102 E HA -0.201 4.122 4.350 -0.044 0.000 0.193 102 E C 2.265 178.877 176.600 0.021 0.000 0.985 102 E CA 1.161 57.565 56.400 0.005 0.000 0.814 102 E CB -0.298 29.401 29.700 -0.003 0.000 0.752 102 E HN 0.537 nan 8.360 nan 0.000 0.466 103 R N 0.281 120.792 120.500 0.018 0.000 2.062 103 R HA -0.083 4.230 4.340 -0.044 0.000 0.231 103 R C 2.253 178.578 176.300 0.041 0.000 1.136 103 R CA 0.789 56.903 56.100 0.024 0.000 0.948 103 R CB -0.437 29.871 30.300 0.013 0.000 0.845 103 R HN 0.063 nan 8.270 nan 0.000 0.430 104 L N 1.387 122.636 121.223 0.042 0.000 2.043 104 L HA -0.224 4.090 4.340 -0.044 0.000 0.212 104 L C 2.008 178.937 176.870 0.099 0.000 1.075 104 L CA 1.883 56.759 54.840 0.059 0.000 0.752 104 L CB -1.013 41.080 42.059 0.057 0.000 0.891 104 L HN 0.250 nan 8.230 nan 0.000 0.432 105 K N -0.438 120.033 120.400 0.120 0.000 2.044 105 K HA -0.222 4.072 4.320 -0.044 0.000 0.210 105 K C 1.975 178.694 176.600 0.200 0.000 1.049 105 K CA 1.671 58.087 56.287 0.215 0.000 0.927 105 K CB -0.145 32.422 32.500 0.111 0.000 0.713 105 K HN 0.401 nan 8.250 nan 0.000 0.443 106 E N 0.323 120.589 120.200 0.111 0.000 2.085 106 E HA -0.193 4.130 4.350 -0.044 0.000 0.194 106 E C 2.030 178.663 176.600 0.054 0.000 0.994 106 E CA 1.367 57.815 56.400 0.080 0.000 0.801 106 E CB -0.033 29.700 29.700 0.055 0.000 0.743 106 E HN 0.300 nan 8.360 nan 0.000 0.453 107 M N 0.081 119.710 119.600 0.048 0.000 2.254 107 M HA -0.098 4.355 4.480 -0.044 0.000 0.265 107 M C 2.136 178.432 176.300 -0.008 0.000 1.066 107 M CA 0.985 56.299 55.300 0.024 0.000 1.123 107 M CB -0.005 32.613 32.600 0.030 0.000 1.388 107 M HN 0.123 nan 8.290 nan 0.000 0.425 108 I N 0.162 120.729 120.570 -0.006 0.000 2.113 108 I HA -0.315 3.829 4.170 -0.044 0.000 0.238 108 I C 2.211 178.239 176.117 -0.147 0.000 1.070 108 I CA 1.424 62.667 61.300 -0.096 0.000 1.332 108 I CB -0.574 37.349 38.000 -0.128 0.000 1.044 108 I HN 0.241 nan 8.210 nan 0.000 0.402 109 K N 1.008 121.352 120.400 -0.092 0.000 2.127 109 K HA -0.224 4.069 4.320 -0.044 0.000 0.208 109 K C 2.040 178.576 176.600 -0.108 0.000 1.047 109 K CA 1.796 58.031 56.287 -0.087 0.000 0.927 109 K CB -0.326 32.193 32.500 0.031 0.000 0.716 109 K HN 0.388 nan 8.250 nan 0.000 0.450 110 A N -0.268 122.503 122.820 -0.081 0.000 2.123 110 A HA 0.158 4.451 4.320 -0.044 0.000 0.214 110 A C 1.578 179.066 177.584 -0.160 0.000 1.152 110 A CA 1.241 53.216 52.037 -0.104 0.000 0.728 110 A CB 0.154 19.134 19.000 -0.033 0.000 0.814 110 A HN 0.460 nan 8.150 nan 0.000 0.464 111 G N -2.009 106.715 108.800 -0.127 0.000 2.672 111 G HA2 -0.103 3.830 3.960 -0.044 0.000 0.197 111 G HA3 -0.103 3.830 3.960 -0.044 0.000 0.197 111 G C 0.286 175.155 174.900 -0.053 0.000 0.995 111 G CA -0.017 45.028 45.100 -0.091 0.000 0.754 111 G HN 0.422 nan 8.290 nan 0.000 0.505 112 M N 1.387 120.954 119.600 -0.056 0.000 2.248 112 M HA 0.240 4.693 4.480 -0.044 0.000 0.343 112 M C 0.921 177.145 176.300 -0.127 0.000 1.243 112 M CA 1.279 56.545 55.300 -0.057 0.000 1.025 112 M CB 0.143 32.723 32.600 -0.033 0.000 1.759 112 M HN 0.273 nan 8.290 nan 0.000 0.452 113 N N 4.132 122.734 118.700 -0.164 0.000 2.317 113 N HA 0.358 5.071 4.740 -0.044 0.000 0.199 113 N C -0.845 174.499 175.510 -0.276 0.000 1.145 113 N CA -0.099 52.729 53.050 -0.369 0.000 0.882 113 N CB 0.810 38.962 38.487 -0.557 0.000 1.113 113 N HN 0.497 nan 8.380 nan 0.000 0.486 114 I N 0.714 121.222 120.570 -0.103 0.000 2.569 114 I HA 0.494 4.637 4.170 -0.044 0.000 0.290 114 I C -1.094 175.035 176.117 0.020 0.000 1.088 114 I CA -1.128 60.160 61.300 -0.020 0.000 1.047 114 I CB 2.125 40.155 38.000 0.051 0.000 1.237 114 I HN -0.100 nan 8.210 nan 0.000 0.421 115 A N 6.321 129.154 122.820 0.021 0.000 2.289 115 A HA 0.596 4.889 4.320 -0.044 0.000 0.298 115 A C -0.234 177.383 177.584 0.056 0.000 1.208 115 A CA -0.472 51.593 52.037 0.047 0.000 0.845 115 A CB 0.674 19.701 19.000 0.045 0.000 1.125 115 A HN 0.801 nan 8.150 nan 0.000 0.517 116 R N 3.508 124.071 120.500 0.105 0.000 2.265 116 R HA 0.536 4.850 4.340 -0.044 0.000 0.328 116 R C -1.446 174.947 176.300 0.155 0.000 0.969 116 R CA -0.438 55.744 56.100 0.137 0.000 0.832 116 R CB 0.406 30.863 30.300 0.261 0.000 1.139 116 R HN 0.731 nan 8.270 nan 0.000 0.457 117 L N 4.078 125.392 121.223 0.150 0.000 2.272 117 L HA 0.341 4.655 4.340 -0.044 0.000 0.289 117 L C 0.004 177.015 176.870 0.236 0.000 1.032 117 L CA -0.914 54.053 54.840 0.211 0.000 0.810 117 L CB 1.194 43.393 42.059 0.232 0.000 1.205 117 L HN 0.521 nan 8.230 nan 0.000 0.422 118 N N 2.633 121.481 118.700 0.248 0.000 2.558 118 N HA 0.173 4.887 4.740 -0.044 0.000 0.233 118 N C 0.219 175.853 175.510 0.206 0.000 1.038 118 N CA -0.316 52.884 53.050 0.250 0.000 0.934 118 N CB 0.445 39.087 38.487 0.258 0.000 1.175 118 N HN 0.381 nan 8.380 nan 0.000 0.512 119 F N 1.262 121.185 119.950 -0.045 0.000 2.771 119 F HA 0.030 4.530 4.527 -0.045 0.000 0.299 119 F C 2.246 178.043 175.800 -0.005 0.000 1.177 119 F CA 0.324 58.271 58.000 -0.087 0.000 1.450 119 F CB -0.026 38.866 39.000 -0.181 0.000 1.114 119 F HN 0.454 nan 8.300 nan 0.000 0.587 120 S N -1.446 114.304 115.700 0.082 0.000 2.474 120 S HA -0.072 4.371 4.470 -0.044 0.000 0.235 120 S C 0.299 174.617 174.600 -0.471 0.000 0.997 120 S CA 0.698 58.799 58.200 -0.165 0.000 0.949 120 S CB -0.320 62.758 63.200 -0.203 0.000 0.766 120 S HN 0.263 nan 8.310 nan 0.000 0.517 121 H N -0.914 118.183 119.070 0.044 0.000 2.894 121 H HA 0.506 5.035 4.556 -0.045 0.000 0.367 121 H C 0.254 175.477 175.328 -0.175 0.000 1.144 121 H CA -0.019 55.989 56.048 -0.065 0.000 1.180 121 H CB 1.304 31.014 29.762 -0.087 0.000 1.758 121 H HN 0.299 nan 8.280 nan 0.000 0.541 122 G N 1.332 109.997 108.800 -0.224 0.000 2.692 122 G HA2 -0.122 3.811 3.960 -0.044 0.000 0.686 122 G HA3 -0.122 3.811 3.960 -0.044 0.000 0.686 122 G C -0.089 174.638 174.900 -0.289 0.000 1.243 122 G CA -0.275 44.481 45.100 -0.573 0.000 0.782 122 G HN 0.824 nan 8.290 nan 0.000 0.625 123 S N -0.102 115.460 115.700 -0.229 0.000 2.686 123 S HA 0.599 5.043 4.470 -0.044 0.000 0.270 123 S C 1.182 175.805 174.600 0.038 0.000 1.194 123 S CA 0.349 58.512 58.200 -0.061 0.000 0.990 123 S CB 1.180 64.359 63.200 -0.035 0.000 1.029 123 S HN 0.790 nan 8.310 nan 0.000 0.560 124 H N 0.685 119.701 119.070 -0.089 0.000 2.357 124 H HA 0.066 4.596 4.556 -0.044 0.000 0.301 124 H C 1.971 177.295 175.328 -0.007 0.000 1.082 124 H CA 1.986 57.907 56.048 -0.212 0.000 1.342 124 H CB -0.587 29.159 29.762 -0.027 0.000 1.389 124 H HN 0.725 nan 8.280 nan 0.000 0.511 125 E N -0.276 120.047 120.200 0.205 0.000 2.085 125 E HA -0.200 4.123 4.350 -0.044 0.000 0.194 125 E C 2.026 178.675 176.600 0.082 0.000 0.994 125 E CA 1.127 57.626 56.400 0.164 0.000 0.801 125 E CB -0.528 29.247 29.700 0.124 0.000 0.743 125 E HN 0.572 nan 8.360 nan 0.000 0.453 126 Y N 0.498 120.722 120.300 -0.126 0.000 2.224 126 Y HA -0.230 4.293 4.550 -0.045 0.000 0.289 126 Y C 2.064 177.783 175.900 -0.300 0.000 1.146 126 Y CA 1.763 59.714 58.100 -0.249 0.000 1.182 126 Y CB 0.052 38.277 38.460 -0.392 0.000 0.983 126 Y HN 0.180 nan 8.280 nan 0.000 0.524 127 H N -0.780 118.250 119.070 -0.067 0.000 2.470 127 H HA 0.112 4.641 4.556 -0.044 0.000 0.289 127 H C 2.306 177.640 175.328 0.011 0.000 1.033 127 H CA 0.863 56.831 56.048 -0.133 0.000 1.331 127 H CB -0.380 29.166 29.762 -0.359 0.000 1.414 127 H HN 0.514 nan 8.280 nan 0.000 0.545 128 A N 1.461 124.401 122.820 0.200 0.000 1.877 128 A HA -0.183 4.110 4.320 -0.044 0.000 0.216 128 A C 2.272 179.881 177.584 0.043 0.000 1.186 128 A CA 1.572 53.690 52.037 0.134 0.000 0.620 128 A CB -0.378 18.732 19.000 0.184 0.000 0.822 128 A HN 0.412 nan 8.150 nan 0.000 0.443 129 E N -0.154 120.025 120.200 -0.035 0.000 2.118 129 E HA -0.147 4.176 4.350 -0.044 0.000 0.195 129 E C 2.307 178.842 176.600 -0.109 0.000 0.992 129 E CA 1.398 57.743 56.400 -0.091 0.000 0.804 129 E CB -0.172 29.425 29.700 -0.172 0.000 0.741 129 E HN 0.573 nan 8.360 nan 0.000 0.458 130 S N 0.566 116.171 115.700 -0.158 0.000 2.355 130 S HA -0.116 4.328 4.470 -0.044 0.000 0.222 130 S C 2.020 176.618 174.600 -0.002 0.000 1.031 130 S CA 0.751 58.886 58.200 -0.108 0.000 0.993 130 S CB -0.139 63.004 63.200 -0.095 0.000 0.859 130 S HN 0.180 nan 8.310 nan 0.000 0.453 131 I N 1.695 122.293 120.570 0.046 0.000 2.127 131 I HA -0.253 3.890 4.170 -0.044 0.000 0.241 131 I C 2.706 178.858 176.117 0.058 0.000 1.075 131 I CA 1.195 62.539 61.300 0.074 0.000 1.334 131 I CB -0.527 37.534 38.000 0.103 0.000 1.040 131 I HN 0.265 nan 8.210 nan 0.000 0.405 132 A N 0.761 123.611 122.820 0.049 0.000 1.917 132 A HA -0.290 4.003 4.320 -0.044 0.000 0.219 132 A C 2.042 179.644 177.584 0.030 0.000 1.182 132 A CA 2.494 54.557 52.037 0.043 0.000 0.633 132 A CB -1.161 17.860 19.000 0.035 0.000 0.819 132 A HN 0.563 nan 8.150 nan 0.000 0.448 133 N N -0.538 118.168 118.700 0.011 0.000 2.171 133 N HA -0.071 4.642 4.740 -0.044 0.000 0.184 133 N C 1.638 177.167 175.510 0.030 0.000 1.021 133 N CA 1.098 54.152 53.050 0.008 0.000 0.854 133 N CB -0.181 38.295 38.487 -0.018 0.000 0.994 133 N HN 0.273 nan 8.380 nan 0.000 0.426 134 V N 1.723 121.659 119.914 0.037 0.000 2.233 134 V HA -0.258 3.835 4.120 -0.044 0.000 0.247 134 V C 2.259 178.398 176.094 0.075 0.000 1.050 134 V CA 1.693 64.026 62.300 0.055 0.000 1.010 134 V CB -0.515 31.340 31.823 0.054 0.000 0.637 134 V HN 0.260 nan 8.190 nan 0.000 0.444 135 R N -0.464 120.080 120.500 0.075 0.000 2.103 135 R HA -0.249 4.065 4.340 -0.044 0.000 0.242 135 R C 2.410 178.767 176.300 0.095 0.000 1.142 135 R CA 2.073 58.227 56.100 0.091 0.000 0.960 135 R CB -0.353 29.995 30.300 0.080 0.000 0.858 135 R HN 0.667 nan 8.270 nan 0.000 0.439 136 E N 0.230 120.471 120.200 0.069 0.000 2.031 136 E HA -0.207 4.117 4.350 -0.044 0.000 0.193 136 E C 1.968 178.609 176.600 0.068 0.000 0.994 136 E CA 1.250 57.684 56.400 0.056 0.000 0.800 136 E CB -0.077 29.641 29.700 0.029 0.000 0.752 136 E HN 0.381 nan 8.360 nan 0.000 0.447 137 A N 0.443 123.309 122.820 0.078 0.000 1.908 137 A HA -0.177 4.117 4.320 -0.044 0.000 0.218 137 A C 2.391 180.113 177.584 0.230 0.000 1.181 137 A CA 1.728 53.831 52.037 0.110 0.000 0.627 137 A CB -0.697 18.375 19.000 0.119 0.000 0.818 137 A HN 0.242 nan 8.150 nan 0.000 0.445 138 V N 0.216 120.263 119.914 0.222 0.000 2.307 138 V HA -0.149 3.944 4.120 -0.044 0.000 0.245 138 V C 2.188 178.525 176.094 0.406 0.000 1.045 138 V CA 1.865 64.337 62.300 0.286 0.000 1.024 138 V CB -0.735 31.186 31.823 0.164 0.000 0.651 138 V HN 0.495 nan 8.190 nan 0.000 0.449 139 E N 0.854 121.229 120.200 0.291 0.000 2.478 139 E HA -0.081 4.243 4.350 -0.044 0.000 0.198 139 E C 2.297 179.004 176.600 0.179 0.000 1.046 139 E CA 1.079 57.644 56.400 0.275 0.000 0.870 139 E CB -0.386 29.407 29.700 0.155 0.000 0.818 139 E HN 0.767 nan 8.360 nan 0.000 0.527 140 S N -0.563 115.188 115.700 0.084 0.000 2.515 140 S HA -0.029 4.414 4.470 -0.044 0.000 0.231 140 S C 1.259 175.714 174.600 -0.241 0.000 0.987 140 S CA 0.172 58.286 58.200 -0.144 0.000 0.936 140 S CB -0.385 62.628 63.200 -0.313 0.000 0.766 140 S HN 0.141 nan 8.310 nan 0.000 0.528 141 F N 0.959 120.989 119.950 0.133 0.000 2.641 141 F HA 0.576 5.077 4.527 -0.044 0.000 0.302 141 F C 2.042 177.978 175.800 0.228 0.000 1.098 141 F CA -0.139 57.952 58.000 0.151 0.000 1.318 141 F CB 0.028 39.108 39.000 0.134 0.000 1.035 141 F HN 0.282 nan 8.300 nan 0.000 0.551 142 A N 0.223 123.236 122.820 0.321 0.000 2.206 142 A HA 0.144 4.437 4.320 -0.044 0.000 0.211 142 A C 2.468 180.105 177.584 0.088 0.000 1.158 142 A CA 0.981 53.119 52.037 0.168 0.000 0.761 142 A CB -1.187 17.826 19.000 0.021 0.000 0.801 142 A HN 0.404 nan 8.150 nan 0.000 0.473 143 G N -0.998 107.864 108.800 0.103 0.000 2.549 143 G HA2 -0.008 3.926 3.960 -0.044 0.000 0.222 143 G HA3 -0.008 3.926 3.960 -0.044 0.000 0.222 143 G C 0.585 175.530 174.900 0.074 0.000 1.100 143 G CA 1.219 46.358 45.100 0.065 0.000 0.739 143 G HN 0.489 nan 8.290 nan 0.000 0.577 144 S N -0.527 115.243 115.700 0.118 0.000 2.387 144 S HA 0.427 4.871 4.470 -0.044 0.000 0.211 144 S C -1.986 172.707 174.600 0.154 0.000 1.055 144 S CA -0.769 57.500 58.200 0.115 0.000 1.133 144 S CB 1.818 65.089 63.200 0.119 0.000 1.235 144 S HN -0.087 nan 8.310 nan 0.000 0.425 145 P HA -0.052 nan 4.420 nan 0.000 0.218 145 P C 1.218 178.673 177.300 0.259 0.000 1.148 145 P CA 0.874 64.084 63.100 0.182 0.000 0.822 145 P CB 0.083 31.876 31.700 0.156 0.000 0.784 146 L N -1.334 119.991 121.223 0.169 0.000 2.362 146 L HA -0.067 4.247 4.340 -0.044 0.000 0.219 146 L C 2.316 179.197 176.870 0.019 0.000 1.134 146 L CA 1.560 56.426 54.840 0.044 0.000 0.807 146 L CB -0.612 41.446 42.059 -0.002 0.000 0.927 146 L HN 0.103 nan 8.230 nan 0.000 0.447 147 S N -1.678 114.074 115.700 0.087 0.000 2.554 147 S HA -0.001 4.442 4.470 -0.044 0.000 0.227 147 S C 0.666 175.328 174.600 0.103 0.000 1.050 147 S CA -0.575 57.657 58.200 0.053 0.000 0.927 147 S CB -0.019 63.207 63.200 0.043 0.000 0.859 147 S HN 0.285 nan 8.310 nan 0.000 0.494 148 Y N 3.906 124.244 120.300 0.063 0.000 2.916 148 Y HA 0.085 4.609 4.550 -0.044 0.000 0.344 148 Y C 0.117 176.045 175.900 0.048 0.000 1.282 148 Y CA 0.587 58.734 58.100 0.078 0.000 1.604 148 Y CB 0.158 38.692 38.460 0.123 0.000 1.207 148 Y HN 0.188 nan 8.280 nan 0.000 0.561 149 R N 8.166 128.313 120.500 -0.588 0.000 2.239 149 R HA 0.327 4.640 4.340 -0.044 0.000 0.332 149 R C -2.486 173.436 176.300 -0.631 0.000 0.988 149 R CA -1.879 53.945 56.100 -0.460 0.000 0.859 149 R CB 0.745 30.834 30.300 -0.352 0.000 1.148 149 R HN 0.479 nan 8.270 nan 0.000 0.482 150 P HA 0.019 nan 4.420 nan 0.000 0.268 150 P C -0.808 176.507 177.300 0.025 0.000 1.205 150 P CA -0.184 62.839 63.100 -0.129 0.000 0.771 150 P CB 0.845 32.628 31.700 0.138 0.000 0.858 151 V N 2.588 122.508 119.914 0.011 0.000 2.444 151 V HA 0.550 4.644 4.120 -0.044 0.000 0.294 151 V C 0.447 176.577 176.094 0.060 0.000 1.022 151 V CA -0.817 61.481 62.300 -0.003 0.000 0.850 151 V CB 1.317 33.117 31.823 -0.038 0.000 0.992 151 V HN 0.709 nan 8.190 nan 0.000 0.426 152 A N 6.075 128.941 122.820 0.076 0.000 2.327 152 A HA 0.787 5.080 4.320 -0.044 0.000 0.255 152 A C -0.342 177.257 177.584 0.026 0.000 1.099 152 A CA -0.184 51.899 52.037 0.076 0.000 0.801 152 A CB 0.330 19.387 19.000 0.096 0.000 1.062 152 A HN 0.755 nan 8.150 nan 0.000 0.496 153 I N 0.339 120.912 120.570 0.005 0.000 2.478 153 I HA 0.488 4.632 4.170 -0.044 0.000 0.287 153 I C 0.063 176.125 176.117 -0.091 0.000 1.042 153 I CA -0.256 61.035 61.300 -0.014 0.000 1.067 153 I CB 1.879 39.894 38.000 0.025 0.000 1.233 153 I HN 0.669 nan 8.210 nan 0.000 0.431 154 A N 7.224 129.941 122.820 -0.173 0.000 2.287 154 A HA 0.635 4.928 4.320 -0.044 0.000 0.317 154 A C -0.872 176.539 177.584 -0.288 0.000 1.220 154 A CA -0.488 51.300 52.037 -0.415 0.000 0.835 154 A CB 1.138 19.570 19.000 -0.945 0.000 1.180 154 A HN 0.780 nan 8.150 nan 0.000 0.500 155 L N 3.056 124.131 121.223 -0.246 0.000 2.278 155 L HA 0.313 4.626 4.340 -0.044 0.000 0.287 155 L C -0.588 176.205 176.870 -0.129 0.000 1.072 155 L CA -0.385 54.368 54.840 -0.145 0.000 0.819 155 L CB 0.534 42.449 42.059 -0.239 0.000 1.176 155 L HN 0.696 nan 8.230 nan 0.000 0.435 156 D N 3.923 124.354 120.400 0.052 0.000 2.329 156 D HA 0.129 4.742 4.640 -0.044 0.000 0.232 156 D C -0.392 175.989 176.300 0.134 0.000 1.088 156 D CA -0.196 53.900 54.000 0.160 0.000 0.835 156 D CB 1.553 42.531 40.800 0.296 0.000 1.078 156 D HN 0.426 nan 8.370 nan 0.000 0.495 157 T N 3.141 117.744 114.554 0.081 0.000 2.918 157 T HA 0.012 4.336 4.350 -0.044 0.000 0.302 157 T C 1.323 176.096 174.700 0.121 0.000 1.045 157 T CA -0.166 61.965 62.100 0.052 0.000 1.114 157 T CB 1.246 70.130 68.868 0.026 0.000 0.965 157 T HN 0.435 nan 8.240 nan 0.000 0.540 158 K N 2.641 123.116 120.400 0.124 0.000 1.973 158 K HA 0.072 4.366 4.320 -0.044 0.000 0.210 158 K C 1.156 177.845 176.600 0.149 0.000 1.045 158 K CA 1.345 57.704 56.287 0.121 0.000 0.937 158 K CB -0.780 31.771 32.500 0.084 0.000 0.721 158 K HN 0.941 nan 8.250 nan 0.000 0.438 159 G N 0.230 109.093 108.800 0.105 0.000 2.698 159 G HA2 -0.202 3.731 3.960 -0.044 0.000 0.233 159 G HA3 -0.202 3.731 3.960 -0.044 0.000 0.233 159 G C -2.378 172.506 174.900 -0.027 0.000 1.352 159 G CA -0.120 45.043 45.100 0.105 0.000 0.879 159 G HN 0.330 nan 8.290 nan 0.000 0.567 160 P HA 0.213 nan 4.420 nan 0.000 0.228 160 P C 0.327 177.286 177.300 -0.568 0.000 1.748 160 P CA 0.256 63.138 63.100 -0.364 0.000 0.909 160 P CB -0.237 31.228 31.700 -0.391 0.000 1.882 161 E N 0.620 120.602 120.200 -0.364 0.000 2.410 161 E HA 0.315 4.638 4.350 -0.044 0.000 0.255 161 E C 0.162 176.612 176.600 -0.250 0.000 1.194 161 E CA -0.279 55.943 56.400 -0.297 0.000 0.955 161 E CB 0.596 30.247 29.700 -0.082 0.000 0.988 161 E HN 0.258 nan 8.360 nan 0.000 0.461 162 I N 0.853 121.327 120.570 -0.161 0.000 2.569 162 I HA 0.387 4.530 4.170 -0.044 0.000 0.290 162 I C -0.366 175.745 176.117 -0.010 0.000 1.088 162 I CA -0.544 60.706 61.300 -0.083 0.000 1.047 162 I CB 1.903 39.863 38.000 -0.067 0.000 1.237 162 I HN 0.251 nan 8.210 nan 0.000 0.421 163 R N 2.137 122.652 120.500 0.024 0.000 2.837 163 R HA 0.620 4.934 4.340 -0.044 0.000 0.271 163 R C -0.440 175.924 176.300 0.107 0.000 0.993 163 R CA -0.874 55.271 56.100 0.074 0.000 0.931 163 R CB 2.463 32.820 30.300 0.096 0.000 1.206 163 R HN 0.744 nan 8.270 nan 0.000 0.474 164 T N -1.232 113.401 114.554 0.132 0.000 2.754 164 T HA 0.369 4.693 4.350 -0.044 0.000 0.286 164 T C 0.858 175.745 174.700 0.313 0.000 0.997 164 T CA -0.512 61.702 62.100 0.189 0.000 0.982 164 T CB 0.982 69.935 68.868 0.143 0.000 1.027 164 T HN 0.600 nan 8.240 nan 0.000 0.529 165 G N -0.324 108.727 108.800 0.418 0.000 2.563 165 G HA2 0.530 4.463 3.960 -0.044 0.000 0.283 165 G HA3 0.530 4.463 3.960 -0.044 0.000 0.283 165 G C -0.102 174.868 174.900 0.117 0.000 1.309 165 G CA -1.110 44.170 45.100 0.300 0.000 1.022 165 G HN 0.769 nan 8.290 nan 0.000 0.501 176 E N 4.912 125.123 120.200 0.017 0.000 2.145 176 E HA 0.424 4.748 4.350 -0.044 0.000 0.262 176 E C -1.220 175.389 176.600 0.015 0.000 0.883 176 E CA -0.662 55.748 56.400 0.016 0.000 0.748 176 E CB 1.488 31.197 29.700 0.014 0.000 1.140 176 E HN 0.636 nan 8.360 nan 0.000 0.417 177 L N 5.451 126.684 121.223 0.015 0.000 2.385 177 L HA 0.176 4.489 4.340 -0.044 0.000 0.285 177 L C 0.120 176.995 176.870 0.007 0.000 1.125 177 L CA -0.299 54.547 54.840 0.011 0.000 0.890 177 L CB 0.433 42.499 42.059 0.011 0.000 1.251 177 L HN 0.335 nan 8.230 nan 0.000 0.445 178 V N 3.625 123.543 119.914 0.006 0.000 2.694 178 V HA -0.079 4.015 4.120 -0.044 0.000 0.306 178 V C 0.915 177.009 176.094 0.000 0.000 1.054 178 V CA -0.182 62.120 62.300 0.004 0.000 1.161 178 V CB 0.576 32.401 31.823 0.004 0.000 0.916 178 V HN 0.686 nan 8.190 nan 0.000 0.490 179 K N 3.215 123.615 120.400 0.000 0.000 2.436 179 K HA 0.365 4.659 4.320 -0.044 0.000 0.282 179 K C 1.137 177.735 176.600 -0.004 0.000 1.044 179 K CA 0.913 57.198 56.287 -0.003 0.000 1.028 179 K CB -0.206 32.294 32.500 -0.001 0.000 0.919 179 K HN 1.030 nan 8.250 nan 0.000 0.474 180 G N 2.301 111.096 108.800 -0.008 0.000 2.424 180 G HA2 -0.299 3.634 3.960 -0.044 0.000 0.207 180 G HA3 -0.299 3.634 3.960 -0.044 0.000 0.207 180 G C 0.058 174.954 174.900 -0.008 0.000 1.061 180 G CA 0.058 45.153 45.100 -0.008 0.000 0.657 180 G HN 0.861 nan 8.290 nan 0.000 0.508 181 S N 0.760 116.456 115.700 -0.006 0.000 2.580 181 S HA 0.559 5.003 4.470 -0.044 0.000 0.266 181 S C 0.207 174.803 174.600 -0.007 0.000 1.354 181 S CA 0.481 58.678 58.200 -0.005 0.000 1.008 181 S CB 1.381 64.581 63.200 -0.002 0.000 0.898 181 S HN 0.610 nan 8.310 nan 0.000 0.555 182 Q N -0.055 119.742 119.800 -0.005 0.000 2.352 182 Q HA 0.578 4.892 4.340 -0.044 0.000 0.260 182 Q C -1.169 174.829 176.000 -0.004 0.000 0.976 182 Q CA 0.038 55.837 55.803 -0.006 0.000 0.881 182 Q CB 1.186 29.921 28.738 -0.005 0.000 1.235 182 Q HN 0.593 nan 8.270 nan 0.000 0.419 183 V N 3.988 123.898 119.914 -0.007 0.000 2.655 183 V HA 0.269 4.363 4.120 -0.044 0.000 0.301 183 V C -1.205 174.886 176.094 -0.006 0.000 1.082 183 V CA -0.906 61.393 62.300 -0.002 0.000 0.899 183 V CB 1.700 33.521 31.823 -0.003 0.000 1.014 183 V HN 0.676 nan 8.190 nan 0.000 0.429 184 L N 6.782 128.006 121.223 0.001 0.000 2.395 184 L HA 0.733 5.046 4.340 -0.044 0.000 0.269 184 L C -0.425 176.442 176.870 -0.004 0.000 1.133 184 L CA 0.445 55.284 54.840 -0.003 0.000 0.812 184 L CB 1.586 43.648 42.059 0.006 0.000 1.125 184 L HN 0.439 nan 8.230 nan 0.000 0.452 185 V N 3.547 123.447 119.914 -0.025 0.000 2.495 185 V HA 0.735 4.829 4.120 -0.044 0.000 0.298 185 V C 0.135 176.187 176.094 -0.070 0.000 1.031 185 V CA -0.127 62.144 62.300 -0.048 0.000 0.871 185 V CB 1.467 33.246 31.823 -0.072 0.000 0.988 185 V HN 1.026 nan 8.190 nan 0.000 0.432 198 N N 0.835 119.547 118.700 0.020 0.000 2.197 198 N HA 0.214 4.928 4.740 -0.044 0.000 0.228 198 N C -0.985 174.539 175.510 0.023 0.000 1.212 198 N CA 0.871 53.931 53.050 0.017 0.000 0.883 198 N CB 1.398 39.893 38.487 0.012 0.000 1.107 198 N HN 0.394 nan 8.380 nan 0.000 0.519 199 T N 0.457 115.032 114.554 0.035 0.000 3.176 199 T HA 0.198 4.522 4.350 -0.044 0.000 0.337 199 T C -0.125 174.620 174.700 0.075 0.000 0.957 199 T CA -0.622 61.509 62.100 0.052 0.000 1.092 199 T CB 1.643 70.545 68.868 0.057 0.000 1.018 199 T HN -0.032 nan 8.240 nan 0.000 0.473 200 V N 0.892 120.850 119.914 0.074 0.000 2.481 200 V HA 0.852 4.945 4.120 -0.044 0.000 0.286 200 V C -0.599 175.585 176.094 0.150 0.000 1.042 200 V CA -0.934 61.428 62.300 0.103 0.000 0.928 200 V CB 1.491 33.352 31.823 0.063 0.000 0.986 200 V HN 0.891 nan 8.190 nan 0.000 0.462 201 W N 4.199 125.505 121.300 0.009 0.000 2.551 201 W HA 0.750 5.383 4.660 -0.044 0.000 0.330 201 W C -1.118 175.411 176.519 0.018 0.000 1.063 201 W CA -0.671 56.680 57.345 0.009 0.000 1.222 201 W CB 1.788 31.252 29.460 0.007 0.000 1.349 201 W HN 0.689 nan 8.180 nan 0.000 0.536 202 V N 5.352 124.759 119.914 -0.845 0.000 2.823 202 V HA 0.172 4.265 4.120 -0.044 0.000 0.312 202 V C 0.009 175.322 176.094 -1.302 0.000 1.072 202 V CA -0.503 61.375 62.300 -0.704 0.000 0.937 202 V CB 2.289 33.909 31.823 -0.339 0.000 1.013 202 V HN 0.657 nan 8.190 nan 0.000 0.430 203 D N 2.070 122.091 120.400 -0.632 0.000 2.328 203 D HA -0.035 4.579 4.640 -0.044 0.000 0.226 203 D C -0.053 176.173 176.300 -0.123 0.000 1.066 203 D CA 0.265 54.038 54.000 -0.378 0.000 0.861 203 D CB 0.020 40.873 40.800 0.088 0.000 0.912 203 D HN 0.326 nan 8.370 nan 0.000 0.521 204 Y N 1.061 121.176 120.300 -0.308 0.000 2.721 204 Y HA 0.386 4.909 4.550 -0.044 0.000 0.328 204 Y C -2.072 173.711 175.900 -0.194 0.000 1.003 204 Y CA -3.369 54.615 58.100 -0.193 0.000 1.275 204 Y CB 1.561 39.926 38.460 -0.158 0.000 1.097 204 Y HN -0.201 nan 8.280 nan 0.000 0.514 205 P HA -0.166 nan 4.420 nan 0.000 0.217 205 P C 1.031 178.091 177.300 -0.400 0.000 1.148 205 P CA 1.467 64.409 63.100 -0.262 0.000 0.828 205 P CB 0.486 32.118 31.700 -0.114 0.000 0.783 206 N N -0.896 117.400 118.700 -0.673 0.000 2.550 206 N HA -0.048 4.666 4.740 -0.044 0.000 0.186 206 N C 1.585 176.636 175.510 -0.765 0.000 1.110 206 N CA 0.205 52.836 53.050 -0.699 0.000 0.912 206 N CB -0.662 37.438 38.487 -0.646 0.000 0.968 206 N HN 0.179 nan 8.380 nan 0.000 0.448 207 I N 0.947 120.998 120.570 -0.864 0.000 2.113 207 I HA -0.337 3.807 4.170 -0.044 0.000 0.242 207 I C 2.065 178.031 176.117 -0.252 0.000 1.064 207 I CA 1.225 62.261 61.300 -0.441 0.000 1.320 207 I CB -0.139 37.696 38.000 -0.275 0.000 1.028 207 I HN 0.026 nan 8.210 nan 0.000 0.406 208 V N -1.237 118.539 119.914 -0.230 0.000 2.546 208 V HA -0.296 3.797 4.120 -0.044 0.000 0.254 208 V C 2.453 178.472 176.094 -0.126 0.000 1.076 208 V CA 2.261 64.471 62.300 -0.149 0.000 1.087 208 V CB -1.188 30.558 31.823 -0.128 0.000 0.674 208 V HN 0.479 nan 8.190 nan 0.000 0.470 209 R N -0.205 120.201 120.500 -0.157 0.000 2.254 209 R HA 0.204 4.517 4.340 -0.044 0.000 0.195 209 R C 1.468 177.720 176.300 -0.079 0.000 0.957 209 R CA 1.003 57.035 56.100 -0.112 0.000 1.024 209 R CB 0.422 30.649 30.300 -0.123 0.000 0.952 209 R HN 0.593 nan 8.270 nan 0.000 0.484 210 V N -0.473 119.391 119.914 -0.083 0.000 3.477 210 V HA 0.217 4.310 4.120 -0.044 0.000 0.297 210 V C -0.041 176.045 176.094 -0.012 0.000 1.433 210 V CA -0.257 62.028 62.300 -0.026 0.000 1.052 210 V CB 1.441 33.279 31.823 0.025 0.000 0.895 210 V HN -0.158 nan 8.190 nan 0.000 0.438 211 V N 4.147 124.043 119.914 -0.031 0.000 2.294 211 V HA 0.442 4.536 4.120 -0.044 0.000 0.272 211 V C -1.933 174.145 176.094 -0.027 0.000 1.027 211 V CA -1.402 60.886 62.300 -0.020 0.000 0.823 211 V CB 0.874 32.682 31.823 -0.024 0.000 1.030 211 V HN 0.313 nan 8.190 nan 0.000 0.457 212 P HA 0.325 nan 4.420 nan 0.000 0.278 212 P C -0.139 177.150 177.300 -0.020 0.000 1.258 212 P CA -0.431 62.657 63.100 -0.019 0.000 0.811 212 P CB 1.153 32.845 31.700 -0.013 0.000 1.063 213 V N 1.088 120.991 119.914 -0.020 0.000 2.703 213 V HA 0.079 4.172 4.120 -0.044 0.000 0.300 213 V C 1.717 177.801 176.094 -0.017 0.000 1.063 213 V CA 1.892 64.181 62.300 -0.019 0.000 1.240 213 V CB -1.286 30.528 31.823 -0.016 0.000 0.845 213 V HN 1.137 nan 8.190 nan 0.000 0.476 214 G N 3.240 112.028 108.800 -0.020 0.000 2.149 214 G HA2 -0.093 3.840 3.960 -0.044 0.000 0.235 214 G HA3 -0.093 3.840 3.960 -0.044 0.000 0.235 214 G C 0.364 175.252 174.900 -0.019 0.000 1.018 214 G CA -0.104 44.984 45.100 -0.020 0.000 0.728 214 G HN 1.429 nan 8.290 nan 0.000 0.508 215 G N -1.031 107.756 108.800 -0.022 0.000 2.477 215 G HA2 0.665 4.598 3.960 -0.044 0.000 0.304 215 G HA3 0.665 4.598 3.960 -0.044 0.000 0.304 215 G C -0.175 174.705 174.900 -0.033 0.000 1.175 215 G CA -0.710 44.379 45.100 -0.017 0.000 0.907 215 G HN 0.441 nan 8.290 nan 0.000 0.509 216 R N -0.093 120.392 120.500 -0.024 0.000 2.494 216 R HA 0.552 4.865 4.340 -0.044 0.000 0.305 216 R C -0.973 175.288 176.300 -0.064 0.000 0.959 216 R CA -0.626 55.423 56.100 -0.085 0.000 0.864 216 R CB 1.375 31.619 30.300 -0.093 0.000 1.159 216 R HN 0.417 nan 8.270 nan 0.000 0.446 217 I N 4.369 124.851 120.570 -0.148 0.000 2.411 217 I HA 0.271 4.414 4.170 -0.044 0.000 0.284 217 I C -0.991 175.039 176.117 -0.146 0.000 1.012 217 I CA -0.697 60.565 61.300 -0.064 0.000 1.119 217 I CB 1.237 39.214 38.000 -0.038 0.000 1.261 217 I HN 0.497 nan 8.210 nan 0.000 0.448 218 Y N 6.382 126.693 120.300 0.018 0.000 2.320 218 Y HA 0.632 5.156 4.550 -0.044 0.000 0.324 218 Y C 0.119 176.035 175.900 0.027 0.000 1.190 218 Y CA -0.361 57.753 58.100 0.024 0.000 1.215 218 Y CB 1.267 39.745 38.460 0.030 0.000 1.221 218 Y HN 0.339 nan 8.280 nan 0.000 0.486 219 I N 2.204 122.881 120.570 0.177 0.000 2.571 219 I HA 0.217 4.361 4.170 -0.044 0.000 0.289 219 I C -1.364 174.823 176.117 0.117 0.000 1.115 219 I CA -0.896 60.476 61.300 0.119 0.000 1.045 219 I CB 2.004 40.047 38.000 0.073 0.000 1.238 219 I HN 0.642 nan 8.210 nan 0.000 0.424 220 D N 5.344 125.808 120.400 0.106 0.000 4.465 220 D HA -0.214 4.400 4.640 -0.044 0.000 0.244 220 D C 0.248 176.604 176.300 0.093 0.000 1.062 220 D CA 0.953 55.009 54.000 0.092 0.000 1.227 220 D CB -0.314 40.533 40.800 0.077 0.000 0.829 220 D HN 0.817 nan 8.370 nan 0.000 0.402 221 D N 2.730 123.181 120.400 0.085 0.000 2.792 221 D HA -0.173 4.440 4.640 -0.044 0.000 0.231 221 D C 1.161 177.501 176.300 0.067 0.000 1.160 221 D CA 3.122 57.162 54.000 0.066 0.000 0.697 221 D CB -1.266 39.568 40.800 0.057 0.000 1.070 221 D HN 1.632 nan 8.370 nan 0.000 0.426 222 G N -1.244 107.618 108.800 0.104 0.000 2.225 222 G HA2 -0.339 3.594 3.960 -0.044 0.000 0.267 222 G HA3 -0.339 3.594 3.960 -0.044 0.000 0.267 222 G C 1.114 176.149 174.900 0.224 0.000 1.024 222 G CA 0.596 45.805 45.100 0.182 0.000 0.784 222 G HN 0.557 nan 8.290 nan 0.000 0.507 223 L N -0.813 120.501 121.223 0.152 0.000 2.270 223 L HA 0.277 4.590 4.340 -0.044 0.000 0.210 223 L C 1.327 178.258 176.870 0.101 0.000 1.104 223 L CA 0.437 55.343 54.840 0.111 0.000 0.804 223 L CB -0.116 41.989 42.059 0.077 0.000 0.937 223 L HN 0.231 nan 8.230 nan 0.000 0.450 224 I N -1.140 119.492 120.570 0.103 0.000 2.525 224 I HA 0.268 4.411 4.170 -0.044 0.000 0.301 224 I C 0.002 176.113 176.117 -0.010 0.000 0.992 224 I CA -0.101 61.227 61.300 0.046 0.000 1.162 224 I CB 1.659 39.679 38.000 0.034 0.000 1.332 224 I HN -0.183 nan 8.210 nan 0.000 0.458 225 S N 6.403 122.041 115.700 -0.103 0.000 2.672 225 S HA 0.732 5.175 4.470 -0.044 0.000 0.291 225 S C -1.170 173.310 174.600 -0.200 0.000 1.145 225 S CA -0.592 57.436 58.200 -0.286 0.000 1.013 225 S CB 0.758 63.779 63.200 -0.298 0.000 1.017 225 S HN 0.460 nan 8.310 nan 0.000 0.487 226 L N 4.625 125.717 121.223 -0.219 0.000 2.356 226 L HA 0.669 4.982 4.340 -0.044 0.000 0.277 226 L C -0.967 175.827 176.870 -0.128 0.000 0.996 226 L CA -1.054 53.708 54.840 -0.131 0.000 0.822 226 L CB 2.064 44.071 42.059 -0.087 0.000 1.256 226 L HN 0.376 nan 8.230 nan 0.000 0.413 227 V N 3.906 123.765 119.914 -0.092 0.000 2.384 227 V HA 0.341 4.434 4.120 -0.044 0.000 0.287 227 V C 0.583 176.646 176.094 -0.051 0.000 1.020 227 V CA -0.629 61.627 62.300 -0.073 0.000 0.850 227 V CB 1.873 33.659 31.823 -0.063 0.000 0.987 227 V HN 0.468 nan 8.190 nan 0.000 0.436 238 T N 1.089 115.627 114.554 -0.027 0.000 2.938 238 T HA 0.827 5.150 4.350 -0.044 0.000 0.285 238 T C -0.727 173.956 174.700 -0.028 0.000 1.028 238 T CA -0.609 61.472 62.100 -0.032 0.000 1.005 238 T CB 2.610 71.454 68.868 -0.040 0.000 1.157 238 T HN 0.801 nan 8.240 nan 0.000 0.550 239 Q N 0.848 120.627 119.800 -0.034 0.000 2.331 239 Q HA 0.519 4.833 4.340 -0.044 0.000 0.272 239 Q C -1.459 174.517 176.000 -0.039 0.000 1.062 239 Q CA -0.917 54.868 55.803 -0.030 0.000 0.806 239 Q CB 2.364 31.087 28.738 -0.026 0.000 1.312 239 Q HN 0.712 nan 8.270 nan 0.000 0.431 240 V N 4.026 123.920 119.914 -0.032 0.000 2.446 240 V HA -0.018 4.076 4.120 -0.044 0.000 0.276 240 V C 1.085 177.157 176.094 -0.037 0.000 1.030 240 V CA 0.575 62.854 62.300 -0.036 0.000 1.033 240 V CB 0.893 32.703 31.823 -0.021 0.000 0.993 240 V HN 0.928 nan 8.190 nan 0.000 0.477 241 E N 3.835 124.002 120.200 -0.054 0.000 2.127 241 E HA 0.035 4.358 4.350 -0.044 0.000 0.191 241 E C 0.417 176.998 176.600 -0.031 0.000 0.964 241 E CA 0.221 56.593 56.400 -0.047 0.000 0.832 241 E CB 0.390 30.047 29.700 -0.071 0.000 0.790 241 E HN 0.730 nan 8.360 nan 0.000 0.465 242 N N 0.573 119.251 118.700 -0.036 0.000 2.407 242 N HA 0.223 4.937 4.740 -0.044 0.000 0.277 242 N C -0.428 175.079 175.510 -0.006 0.000 0.995 242 N CA -0.131 52.913 53.050 -0.010 0.000 0.903 242 N CB 1.825 40.315 38.487 0.005 0.000 1.218 242 N HN 0.086 nan 8.380 nan 0.000 0.487 243 G N 0.134 108.935 108.800 0.002 0.000 2.621 243 G HA2 0.639 4.572 3.960 -0.044 0.000 0.271 243 G HA3 0.639 4.572 3.960 -0.044 0.000 0.271 243 G C 0.089 174.999 174.900 0.016 0.000 1.236 243 G CA -0.124 44.980 45.100 0.007 0.000 0.958 243 G HN 0.635 nan 8.290 nan 0.000 0.512 244 G N -2.747 106.064 108.800 0.018 0.000 2.316 244 G HA2 0.446 4.379 3.960 -0.044 0.000 0.296 244 G HA3 0.446 4.379 3.960 -0.044 0.000 0.296 244 G C -1.601 173.314 174.900 0.024 0.000 1.399 244 G CA -0.483 44.632 45.100 0.024 0.000 0.833 244 G HN 1.015 nan 8.290 nan 0.000 0.565 245 V N 0.922 120.852 119.914 0.026 0.000 2.368 245 V HA 0.470 4.563 4.120 -0.044 0.000 0.266 245 V C 0.255 176.367 176.094 0.030 0.000 1.045 245 V CA -0.477 61.838 62.300 0.025 0.000 0.899 245 V CB 0.888 32.725 31.823 0.022 0.000 1.006 245 V HN 0.708 nan 8.190 nan 0.000 0.470 246 L N 5.837 127.078 121.223 0.031 0.000 2.292 246 L HA 0.782 5.096 4.340 -0.044 0.000 0.284 246 L C 0.694 177.586 176.870 0.037 0.000 1.065 246 L CA 0.786 55.648 54.840 0.037 0.000 0.806 246 L CB 1.085 43.168 42.059 0.040 0.000 1.175 246 L HN 0.646 nan 8.230 nan 0.000 0.431 247 G N 2.420 111.245 108.800 0.041 0.000 2.782 247 G HA2 0.464 4.398 3.960 -0.044 0.000 0.201 247 G HA3 0.464 4.398 3.960 -0.044 0.000 0.201 247 G C -0.961 173.967 174.900 0.047 0.000 1.374 247 G CA -0.543 44.580 45.100 0.038 0.000 1.039 247 G HN 0.581 nan 8.290 nan 0.000 0.576 248 S N 0.093 115.819 115.700 0.044 0.000 2.525 248 S HA 0.476 4.919 4.470 -0.044 0.000 0.290 248 S C -0.152 174.492 174.600 0.073 0.000 1.152 248 S CA -0.515 57.717 58.200 0.053 0.000 1.072 248 S CB 1.007 64.227 63.200 0.033 0.000 1.027 248 S HN 0.525 nan 8.310 nan 0.000 0.500 249 R N 1.769 122.327 120.500 0.098 0.000 2.974 249 R HA -0.156 4.157 4.340 -0.044 0.000 0.258 249 R C -0.955 175.420 176.300 0.124 0.000 0.892 249 R CA 0.666 56.841 56.100 0.124 0.000 0.664 249 R CB -1.521 28.851 30.300 0.120 0.000 1.478 249 R HN 0.527 nan 8.270 nan 0.000 0.498 250 K N 0.386 120.854 120.400 0.114 0.000 2.316 250 K HA 0.323 4.617 4.320 -0.044 0.000 0.251 250 K C 0.592 177.251 176.600 0.098 0.000 0.934 250 K CA -0.445 55.906 56.287 0.106 0.000 0.802 250 K CB 2.101 34.655 32.500 0.090 0.000 1.171 250 K HN 0.363 nan 8.250 nan 0.000 0.426 251 G N 1.334 110.195 108.800 0.102 0.000 2.150 251 G HA2 0.103 4.037 3.960 -0.044 0.000 0.250 251 G HA3 0.103 4.037 3.960 -0.044 0.000 0.250 251 G C -0.160 174.793 174.900 0.089 0.000 1.179 251 G CA -0.164 44.992 45.100 0.094 0.000 0.934 251 G HN 0.234 nan 8.290 nan 0.000 0.453 252 V N 4.783 124.738 119.914 0.068 0.000 2.435 252 V HA 0.333 4.426 4.120 -0.044 0.000 0.290 252 V C -0.033 176.106 176.094 0.074 0.000 1.030 252 V CA -1.007 61.337 62.300 0.074 0.000 0.881 252 V CB 1.554 33.405 31.823 0.047 0.000 0.983 252 V HN 0.749 nan 8.190 nan 0.000 0.445 253 N N 5.068 123.846 118.700 0.132 0.000 2.342 253 N HA 0.611 5.325 4.740 -0.044 0.000 0.293 253 N C -1.248 174.371 175.510 0.181 0.000 1.026 253 N CA -0.484 52.644 53.050 0.131 0.000 0.857 253 N CB 2.758 41.306 38.487 0.103 0.000 1.256 253 N HN 0.460 nan 8.380 nan 0.000 0.484 254 L N 2.498 123.792 121.223 0.119 0.000 2.470 254 L HA 0.412 4.726 4.340 -0.044 0.000 0.253 254 L C -2.513 174.416 176.870 0.098 0.000 1.163 254 L CA -1.542 53.371 54.840 0.123 0.000 0.932 254 L CB 1.163 43.279 42.059 0.095 0.000 1.213 254 L HN 0.200 nan 8.230 nan 0.000 0.485 255 P HA 0.324 nan 4.420 nan 0.000 0.276 255 P C 1.099 178.435 177.300 0.059 0.000 1.261 255 P CA 0.160 63.303 63.100 0.072 0.000 0.800 255 P CB 1.133 32.867 31.700 0.058 0.000 1.066 256 G N -0.667 108.145 108.800 0.021 0.000 2.451 256 G HA2 -0.267 3.666 3.960 -0.044 0.000 0.253 256 G HA3 -0.267 3.666 3.960 -0.044 0.000 0.253 256 G C 0.462 175.372 174.900 0.017 0.000 1.033 256 G CA 0.377 45.480 45.100 0.006 0.000 0.633 256 G HN 0.894 nan 8.290 nan 0.000 0.537 257 A N 0.757 123.598 122.820 0.034 0.000 2.327 257 A HA 0.651 4.945 4.320 -0.044 0.000 0.283 257 A C 0.615 178.223 177.584 0.041 0.000 1.127 257 A CA 0.464 52.524 52.037 0.039 0.000 0.810 257 A CB 0.378 19.410 19.000 0.053 0.000 1.066 257 A HN 0.934 nan 8.150 nan 0.000 0.492 258 Q N 2.115 121.939 119.800 0.040 0.000 2.389 258 Q HA 0.369 4.682 4.340 -0.044 0.000 0.244 258 Q C -1.209 174.821 176.000 0.051 0.000 1.056 258 Q CA -0.487 55.340 55.803 0.040 0.000 0.908 258 Q CB 0.578 29.336 28.738 0.034 0.000 1.273 258 Q HN 0.288 nan 8.270 nan 0.000 0.471 259 V N 4.791 124.724 119.914 0.031 0.000 2.326 259 V HA -0.065 4.028 4.120 -0.044 0.000 0.249 259 V C 1.129 177.221 176.094 -0.005 0.000 1.114 259 V CA 0.049 62.355 62.300 0.010 0.000 1.028 259 V CB -0.034 31.719 31.823 -0.117 0.000 1.170 259 V HN 0.858 nan 8.190 nan 0.000 0.494 260 D N 3.428 123.871 120.400 0.072 0.000 2.371 260 D HA -0.087 4.527 4.640 -0.044 0.000 0.234 260 D C 0.580 176.900 176.300 0.034 0.000 1.049 260 D CA -0.233 53.800 54.000 0.055 0.000 0.907 260 D CB 0.270 41.111 40.800 0.070 0.000 0.891 260 D HN 0.363 nan 8.370 nan 0.000 0.531 261 L N 2.212 123.410 121.223 -0.042 0.000 2.490 261 L HA 0.189 4.503 4.340 -0.044 0.000 0.274 261 L C -1.886 174.929 176.870 -0.092 0.000 1.201 261 L CA -1.202 53.564 54.840 -0.123 0.000 0.869 261 L CB 0.218 42.028 42.059 -0.415 0.000 1.123 261 L HN -0.066 nan 8.230 nan 0.000 0.484 262 P HA 0.155 nan 4.420 nan 0.000 0.274 262 P C 0.419 177.696 177.300 -0.038 0.000 1.237 262 P CA -0.285 62.797 63.100 -0.031 0.000 0.793 262 P CB 0.602 32.295 31.700 -0.012 0.000 0.977 263 G N 0.613 109.407 108.800 -0.010 0.000 2.484 263 G HA2 0.017 3.950 3.960 -0.044 0.000 0.218 263 G HA3 0.017 3.950 3.960 -0.044 0.000 0.218 263 G C 0.022 174.933 174.900 0.017 0.000 1.130 263 G CA 0.499 45.609 45.100 0.016 0.000 0.784 263 G HN 0.387 nan 8.290 nan 0.000 0.543 264 L N 1.680 122.906 121.223 0.006 0.000 2.415 264 L HA 0.429 4.742 4.340 -0.044 0.000 0.268 264 L C 0.313 177.186 176.870 0.004 0.000 0.984 264 L CA -0.596 54.248 54.840 0.007 0.000 0.853 264 L CB 1.865 43.928 42.059 0.006 0.000 1.215 264 L HN 0.134 nan 8.230 nan 0.000 0.419 265 S N 1.214 116.917 115.700 0.005 0.000 2.713 265 S HA 0.377 4.820 4.470 -0.044 0.000 0.277 265 S C 1.008 175.618 174.600 0.018 0.000 1.168 265 S CA -0.418 57.787 58.200 0.008 0.000 0.994 265 S CB 1.039 64.242 63.200 0.004 0.000 1.054 265 S HN 0.642 nan 8.310 nan 0.000 0.555 266 E N -0.074 120.139 120.200 0.022 0.000 2.058 266 E HA -0.242 4.081 4.350 -0.044 0.000 0.194 266 E C 2.108 178.731 176.600 0.038 0.000 0.997 266 E CA 1.529 57.946 56.400 0.028 0.000 0.801 266 E CB -0.191 29.525 29.700 0.028 0.000 0.746 266 E HN 0.696 nan 8.360 nan 0.000 0.450 267 Q N 1.108 120.931 119.800 0.039 0.000 2.030 267 Q HA -0.209 4.104 4.340 -0.044 0.000 0.204 267 Q C 1.553 177.594 176.000 0.067 0.000 0.986 267 Q CA 2.192 58.028 55.803 0.056 0.000 0.843 267 Q CB -0.230 28.540 28.738 0.054 0.000 0.904 267 Q HN 0.313 nan 8.270 nan 0.000 0.420 268 D N -0.686 119.739 120.400 0.042 0.000 2.127 268 D HA -0.205 4.409 4.640 -0.044 0.000 0.190 268 D C 1.933 178.238 176.300 0.007 0.000 1.000 268 D CA 1.930 55.941 54.000 0.017 0.000 0.839 268 D CB -0.395 40.412 40.800 0.011 0.000 0.955 268 D HN 0.186 nan 8.370 nan 0.000 0.446 269 V N 1.338 121.264 119.914 0.019 0.000 2.250 269 V HA -0.307 3.786 4.120 -0.044 0.000 0.250 269 V C 2.644 178.767 176.094 0.048 0.000 1.060 269 V CA 1.868 64.180 62.300 0.021 0.000 1.030 269 V CB -0.478 31.359 31.823 0.023 0.000 0.643 269 V HN 0.167 nan 8.190 nan 0.000 0.445 270 R N -0.414 120.139 120.500 0.088 0.000 2.080 270 R HA -0.202 4.111 4.340 -0.044 0.000 0.236 270 R C 2.116 178.542 176.300 0.209 0.000 1.137 270 R CA 2.082 58.285 56.100 0.173 0.000 0.943 270 R CB -0.538 29.882 30.300 0.200 0.000 0.846 270 R HN 0.546 nan 8.270 nan 0.000 0.431 271 D N 0.469 120.950 120.400 0.136 0.000 2.123 271 D HA -0.155 4.459 4.640 -0.044 0.000 0.196 271 D C 1.952 178.136 176.300 -0.194 0.000 0.992 271 D CA 1.060 55.016 54.000 -0.073 0.000 0.833 271 D CB -0.188 40.487 40.800 -0.209 0.000 0.954 271 D HN 0.177 nan 8.370 nan 0.000 0.455 272 L N 0.488 121.643 121.223 -0.113 0.000 1.994 272 L HA -0.143 4.171 4.340 -0.044 0.000 0.208 272 L C 2.489 179.340 176.870 -0.031 0.000 1.071 272 L CA 0.946 55.724 54.840 -0.103 0.000 0.745 272 L CB -0.276 41.738 42.059 -0.075 0.000 0.892 272 L HN -0.059 nan 8.230 nan 0.000 0.431 273 R N -0.227 120.285 120.500 0.021 0.000 2.117 273 R HA -0.232 4.081 4.340 -0.044 0.000 0.243 273 R C 2.124 178.466 176.300 0.071 0.000 1.143 273 R CA 1.639 57.763 56.100 0.041 0.000 0.968 273 R CB -1.522 28.819 30.300 0.069 0.000 0.863 273 R HN 0.324 nan 8.270 nan 0.000 0.444 274 F N 1.255 121.171 119.950 -0.057 0.000 2.095 274 F HA -0.143 4.357 4.527 -0.045 0.000 0.298 274 F C 2.346 178.153 175.800 0.012 0.000 1.104 274 F CA 1.974 59.946 58.000 -0.047 0.000 1.232 274 F CB -0.656 38.146 39.000 -0.331 0.000 0.987 274 F HN 0.132 nan 8.300 nan 0.000 0.475 275 G N -0.016 108.861 108.800 0.127 0.000 2.442 275 G HA2 -0.238 3.695 3.960 -0.044 0.000 0.219 275 G HA3 -0.238 3.695 3.960 -0.044 0.000 0.219 275 G C 1.671 176.551 174.900 -0.033 0.000 1.141 275 G CA 1.281 46.397 45.100 0.027 0.000 0.763 275 G HN 0.371 nan 8.290 nan 0.000 0.554 276 V N 0.871 120.756 119.914 -0.048 0.000 2.237 276 V HA -0.202 3.891 4.120 -0.044 0.000 0.245 276 V C 2.648 178.682 176.094 -0.100 0.000 1.046 276 V CA 2.308 64.570 62.300 -0.064 0.000 1.007 276 V CB -0.741 31.047 31.823 -0.058 0.000 0.638 276 V HN 0.477 nan 8.190 nan 0.000 0.445 277 E N -0.689 119.423 120.200 -0.147 0.000 2.171 277 E HA -0.220 4.103 4.350 -0.044 0.000 0.197 277 E C 1.766 178.124 176.600 -0.403 0.000 0.997 277 E CA 1.371 57.608 56.400 -0.272 0.000 0.810 277 E CB -0.182 29.317 29.700 -0.335 0.000 0.738 277 E HN 0.722 nan 8.360 nan 0.000 0.467 278 H N -0.983 117.896 119.070 -0.318 0.000 2.520 278 H HA 0.176 4.705 4.556 -0.044 0.000 0.284 278 H C 0.854 176.104 175.328 -0.131 0.000 1.037 278 H CA 0.455 56.345 56.048 -0.264 0.000 1.168 278 H CB 0.923 30.442 29.762 -0.405 0.000 1.497 278 H HN 0.254 nan 8.280 nan 0.000 0.547 279 G N 2.299 111.081 108.800 -0.030 0.000 2.273 279 G HA2 -0.306 3.628 3.960 -0.044 0.000 0.280 279 G HA3 -0.306 3.628 3.960 -0.044 0.000 0.280 279 G C 0.689 175.593 174.900 0.006 0.000 1.047 279 G CA 0.469 45.560 45.100 -0.016 0.000 0.869 279 G HN 0.382 nan 8.290 nan 0.000 0.502 280 V N -3.297 116.621 119.914 0.007 0.000 3.178 280 V HA 0.440 4.533 4.120 -0.044 0.000 0.306 280 V C 1.098 177.178 176.094 -0.023 0.000 1.107 280 V CA 1.081 63.379 62.300 -0.003 0.000 1.195 280 V CB 0.843 32.654 31.823 -0.019 0.000 0.993 280 V HN 0.171 nan 8.190 nan 0.000 0.493 281 D N 1.189 121.568 120.400 -0.035 0.000 2.388 281 D HA 0.406 5.019 4.640 -0.044 0.000 0.208 281 D C 0.070 176.336 176.300 -0.056 0.000 1.035 281 D CA 0.642 54.624 54.000 -0.029 0.000 0.875 281 D CB 0.309 41.106 40.800 -0.006 0.000 0.984 281 D HN 0.621 nan 8.370 nan 0.000 0.508 282 I N 0.248 120.747 120.570 -0.117 0.000 2.722 282 I HA 0.225 4.368 4.170 -0.044 0.000 0.292 282 I C -1.327 174.644 176.117 -0.244 0.000 1.267 282 I CA -0.998 60.203 61.300 -0.164 0.000 1.036 282 I CB 3.130 40.995 38.000 -0.224 0.000 1.281 282 I HN -0.410 nan 8.210 nan 0.000 0.423 283 V N 5.474 125.294 119.914 -0.157 0.000 2.347 283 V HA 0.366 4.460 4.120 -0.044 0.000 0.280 283 V C -0.632 175.469 176.094 0.012 0.000 1.021 283 V CA -0.452 61.770 62.300 -0.129 0.000 0.847 283 V CB 1.042 32.824 31.823 -0.069 0.000 0.990 283 V HN 0.333 nan 8.190 nan 0.000 0.444 284 F N 3.914 123.853 119.950 -0.019 0.000 2.439 284 F HA 0.525 5.026 4.527 -0.043 0.000 0.356 284 F C 0.876 176.659 175.800 -0.028 0.000 1.161 284 F CA -1.217 56.772 58.000 -0.019 0.000 1.151 284 F CB 0.497 39.493 39.000 -0.006 0.000 1.222 284 F HN 0.516 nan 8.300 nan 0.000 0.558 285 A N 3.179 126.087 122.820 0.148 0.000 2.302 285 A HA 0.519 4.812 4.320 -0.044 0.000 0.295 285 A C 0.477 178.086 177.584 0.041 0.000 1.235 285 A CA -0.386 51.693 52.037 0.070 0.000 0.876 285 A CB 0.005 19.029 19.000 0.040 0.000 1.133 285 A HN 0.595 nan 8.150 nan 0.000 0.533 286 S N 1.150 116.882 115.700 0.053 0.000 2.585 286 S HA 0.415 4.858 4.470 -0.044 0.000 0.273 286 S C 0.040 174.696 174.600 0.094 0.000 1.339 286 S CA -0.093 58.107 58.200 0.001 0.000 1.028 286 S CB -0.268 63.006 63.200 0.123 0.000 0.906 286 S HN 0.753 nan 8.310 nan 0.000 0.528 287 F N -0.475 119.475 119.950 -0.001 0.000 3.048 287 F HA -0.162 4.338 4.527 -0.044 0.000 0.269 287 F C 0.283 176.078 175.800 -0.008 0.000 0.960 287 F CA -0.220 57.774 58.000 -0.009 0.000 0.909 287 F CB -2.073 36.913 39.000 -0.023 0.000 0.837 287 F HN 0.187 nan 8.300 nan 0.000 0.768 288 V N 1.546 121.497 119.914 0.061 0.000 2.446 288 V HA 0.045 4.139 4.120 -0.044 0.000 0.276 288 V C 1.346 177.466 176.094 0.042 0.000 1.030 288 V CA 0.440 62.765 62.300 0.042 0.000 1.033 288 V CB 1.006 32.831 31.823 0.003 0.000 0.993 288 V HN 0.437 nan 8.190 nan 0.000 0.477 289 R N 3.955 124.483 120.500 0.048 0.000 2.307 289 R HA 0.317 4.630 4.340 -0.044 0.000 0.200 289 R C 0.083 176.396 176.300 0.021 0.000 0.893 289 R CA -0.102 56.025 56.100 0.044 0.000 1.042 289 R CB 0.313 30.648 30.300 0.058 0.000 1.059 289 R HN 0.717 nan 8.270 nan 0.000 0.530 290 K N -1.204 119.201 120.400 0.008 0.000 2.597 290 K HA 0.563 4.856 4.320 -0.044 0.000 0.282 290 K C -0.014 176.576 176.600 -0.017 0.000 0.975 290 K CA -0.309 55.975 56.287 -0.005 0.000 0.867 290 K CB 1.275 33.777 32.500 0.004 0.000 1.465 290 K HN -0.159 nan 8.250 nan 0.000 0.417 291 A N 1.335 124.138 122.820 -0.028 0.000 1.915 291 A HA -0.290 4.003 4.320 -0.044 0.000 0.220 291 A C 2.187 179.759 177.584 -0.020 0.000 1.198 291 A CA 2.948 54.965 52.037 -0.032 0.000 0.647 291 A CB -1.342 17.638 19.000 -0.033 0.000 0.825 291 A HN 0.950 nan 8.150 nan 0.000 0.456 292 S N -0.334 115.359 115.700 -0.011 0.000 2.440 292 S HA -0.206 4.238 4.470 -0.044 0.000 0.238 292 S C 1.384 175.982 174.600 -0.004 0.000 1.010 292 S CA 1.591 59.787 58.200 -0.006 0.000 0.972 292 S CB -0.548 62.651 63.200 -0.002 0.000 0.774 292 S HN 0.534 nan 8.310 nan 0.000 0.501 293 D N 1.233 121.632 120.400 -0.002 0.000 2.117 293 D HA -0.065 4.549 4.640 -0.044 0.000 0.197 293 D C 2.164 178.464 176.300 -0.001 0.000 0.987 293 D CA 1.396 55.398 54.000 0.004 0.000 0.829 293 D CB -0.606 40.202 40.800 0.013 0.000 0.961 293 D HN 0.431 nan 8.370 nan 0.000 0.460 294 V N 0.400 120.308 119.914 -0.010 0.000 2.591 294 V HA -0.023 4.070 4.120 -0.044 0.000 0.249 294 V C 2.086 178.171 176.094 -0.014 0.000 1.053 294 V CA 1.806 64.097 62.300 -0.013 0.000 1.068 294 V CB -0.295 31.514 31.823 -0.022 0.000 0.689 294 V HN 0.122 nan 8.190 nan 0.000 0.462 295 A N 0.657 123.469 122.820 -0.013 0.000 1.883 295 A HA -0.102 4.191 4.320 -0.044 0.000 0.217 295 A C 2.539 180.116 177.584 -0.013 0.000 1.186 295 A CA 2.628 54.658 52.037 -0.011 0.000 0.624 295 A CB -1.280 17.715 19.000 -0.008 0.000 0.822 295 A HN 1.020 nan 8.150 nan 0.000 0.444 296 A N -0.635 122.179 122.820 -0.010 0.000 1.883 296 A HA -0.042 4.251 4.320 -0.044 0.000 0.217 296 A C 2.247 179.822 177.584 -0.016 0.000 1.186 296 A CA 1.912 53.943 52.037 -0.009 0.000 0.624 296 A CB -1.115 17.884 19.000 -0.003 0.000 0.822 296 A HN 0.456 nan 8.150 nan 0.000 0.444 297 V N -0.213 119.692 119.914 -0.015 0.000 2.282 297 V HA -0.316 3.778 4.120 -0.044 0.000 0.249 297 V C 2.658 178.729 176.094 -0.038 0.000 1.057 297 V CA 2.513 64.799 62.300 -0.023 0.000 1.032 297 V CB -0.805 31.008 31.823 -0.018 0.000 0.645 297 V HN 0.601 nan 8.190 nan 0.000 0.447 298 R N -0.314 120.163 120.500 -0.038 0.000 2.083 298 R HA -0.171 4.142 4.340 -0.044 0.000 0.237 298 R C 2.389 178.643 176.300 -0.076 0.000 1.137 298 R CA 1.692 57.757 56.100 -0.059 0.000 0.951 298 R CB -0.602 29.674 30.300 -0.040 0.000 0.851 298 R HN 0.535 nan 8.270 nan 0.000 0.434 299 A N 0.441 123.231 122.820 -0.050 0.000 1.883 299 A HA -0.183 4.110 4.320 -0.044 0.000 0.217 299 A C 2.316 179.871 177.584 -0.048 0.000 1.186 299 A CA 1.944 53.954 52.037 -0.046 0.000 0.624 299 A CB -0.913 18.072 19.000 -0.025 0.000 0.822 299 A HN 0.510 nan 8.150 nan 0.000 0.444 300 A N -1.002 121.795 122.820 -0.039 0.000 1.898 300 A HA 0.010 4.303 4.320 -0.044 0.000 0.216 300 A C 2.014 179.570 177.584 -0.046 0.000 1.181 300 A CA 1.595 53.612 52.037 -0.033 0.000 0.620 300 A CB -0.573 18.412 19.000 -0.024 0.000 0.819 300 A HN 0.450 nan 8.150 nan 0.000 0.442 301 L N -0.884 120.300 121.223 -0.066 0.000 2.187 301 L HA 0.056 4.369 4.340 -0.044 0.000 0.213 301 L C 1.515 178.326 176.870 -0.098 0.000 1.100 301 L CA 1.359 56.149 54.840 -0.082 0.000 0.765 301 L CB -1.231 40.770 42.059 -0.098 0.000 0.904 301 L HN 0.759 nan 8.230 nan 0.000 0.437 302 G N -1.907 106.828 108.800 -0.108 0.000 2.877 302 G HA2 -0.264 3.670 3.960 -0.044 0.000 0.279 302 G HA3 -0.264 3.670 3.960 -0.044 0.000 0.279 302 G C -1.735 173.063 174.900 -0.171 0.000 1.431 302 G CA -0.202 44.833 45.100 -0.108 0.000 0.883 302 G HN 0.166 nan 8.290 nan 0.000 0.547 303 P HA 0.077 nan 4.420 nan 0.000 0.220 303 P C 1.390 178.666 177.300 -0.041 0.000 1.152 303 P CA 1.412 64.454 63.100 -0.096 0.000 0.812 303 P CB 0.050 31.752 31.700 0.002 0.000 0.792 304 E N -0.283 119.893 120.200 -0.041 0.000 2.510 304 E HA -0.010 4.314 4.350 -0.044 0.000 0.202 304 E C 1.075 177.656 176.600 -0.032 0.000 1.072 304 E CA 1.005 57.391 56.400 -0.025 0.000 0.883 304 E CB -0.617 29.063 29.700 -0.034 0.000 0.818 304 E HN 0.301 nan 8.360 nan 0.000 0.548 305 G N -0.070 108.688 108.800 -0.069 0.000 4.921 305 G HA2 0.141 4.074 3.960 -0.044 0.000 0.248 305 G HA3 0.141 4.074 3.960 -0.044 0.000 0.248 305 G C 0.098 174.947 174.900 -0.085 0.000 1.026 305 G CA -0.510 44.550 45.100 -0.067 0.000 0.825 305 G HN 0.131 nan 8.290 nan 0.000 0.538 306 H N -0.042 119.018 119.070 -0.018 0.000 2.462 306 H HA 0.010 4.539 4.556 -0.044 0.000 0.292 306 H C 2.682 178.000 175.328 -0.016 0.000 1.049 306 H CA 1.632 57.670 56.048 -0.016 0.000 1.334 306 H CB 0.582 30.335 29.762 -0.015 0.000 1.404 306 H HN 0.433 nan 8.280 nan 0.000 0.544 307 G N 0.904 109.771 108.800 0.111 0.000 2.432 307 G HA2 -0.162 3.771 3.960 -0.044 0.000 0.219 307 G HA3 -0.162 3.771 3.960 -0.044 0.000 0.219 307 G C 0.694 175.613 174.900 0.031 0.000 1.135 307 G CA 0.126 45.261 45.100 0.057 0.000 0.767 307 G HN 0.247 nan 8.290 nan 0.000 0.550 308 I N 1.721 122.299 120.570 0.014 0.000 2.662 308 I HA 0.041 4.184 4.170 -0.044 0.000 0.285 308 I C -0.007 176.108 176.117 -0.003 0.000 1.161 308 I CA -0.144 61.151 61.300 -0.008 0.000 1.415 308 I CB 0.648 38.629 38.000 -0.032 0.000 1.385 308 I HN -0.025 nan 8.210 nan 0.000 0.552 309 K N 7.552 127.950 120.400 -0.003 0.000 2.298 309 K HA 0.460 4.754 4.320 -0.044 0.000 0.280 309 K C -0.283 176.321 176.600 0.008 0.000 1.032 309 K CA -0.278 56.014 56.287 0.009 0.000 0.958 309 K CB 1.286 33.797 32.500 0.020 0.000 0.978 309 K HN 0.493 nan 8.250 nan 0.000 0.472 310 I N 4.562 125.144 120.570 0.019 0.000 2.362 310 I HA 0.227 4.370 4.170 -0.044 0.000 0.289 310 I C -0.283 175.867 176.117 0.057 0.000 0.994 310 I CA -0.837 60.478 61.300 0.026 0.000 1.158 310 I CB 1.171 39.174 38.000 0.006 0.000 1.315 310 I HN 0.209 nan 8.210 nan 0.000 0.451 311 I N 5.322 125.965 120.570 0.121 0.000 2.354 311 I HA 0.200 4.343 4.170 -0.044 0.000 0.286 311 I C 0.339 176.513 176.117 0.095 0.000 1.007 311 I CA -0.332 61.056 61.300 0.145 0.000 1.167 311 I CB 1.219 39.417 38.000 0.329 0.000 1.320 311 I HN 0.443 nan 8.210 nan 0.000 0.458 312 S N 6.884 122.597 115.700 0.022 0.000 2.505 312 S HA 0.268 4.712 4.470 -0.044 0.000 0.276 312 S C 0.249 174.833 174.600 -0.027 0.000 1.274 312 S CA -0.679 57.518 58.200 -0.005 0.000 1.053 312 S CB 0.568 63.746 63.200 -0.037 0.000 0.919 312 S HN 0.363 nan 8.310 nan 0.000 0.490 313 K N 2.662 123.032 120.400 -0.049 0.000 2.258 313 K HA 0.344 4.637 4.320 -0.044 0.000 0.284 313 K C -0.638 175.898 176.600 -0.107 0.000 1.051 313 K CA -0.516 55.705 56.287 -0.111 0.000 0.923 313 K CB 0.674 33.072 32.500 -0.169 0.000 1.046 313 K HN 0.432 nan 8.250 nan 0.000 0.474 314 I N 3.527 124.047 120.570 -0.083 0.000 2.306 314 I HA 0.100 4.244 4.170 -0.044 0.000 0.288 314 I C 0.653 176.707 176.117 -0.105 0.000 1.036 314 I CA 0.236 61.508 61.300 -0.046 0.000 1.221 314 I CB 0.735 38.764 38.000 0.048 0.000 1.385 314 I HN 0.757 nan 8.210 nan 0.000 0.472 315 E N 4.238 124.359 120.200 -0.132 0.000 2.601 315 E HA 0.080 4.404 4.350 -0.044 0.000 0.219 315 E C -0.419 176.171 176.600 -0.017 0.000 0.964 315 E CA -0.080 56.214 56.400 -0.176 0.000 1.050 315 E CB 0.751 30.120 29.700 -0.552 0.000 1.068 315 E HN 0.786 nan 8.360 nan 0.000 0.496 316 N N -1.831 116.888 118.700 0.032 0.000 3.106 316 N HA -0.002 4.711 4.740 -0.044 0.000 0.253 316 N C 0.320 175.879 175.510 0.082 0.000 1.506 316 N CA -0.655 52.448 53.050 0.089 0.000 0.876 316 N CB 0.383 38.963 38.487 0.155 0.000 1.452 316 N HN -0.218 nan 8.380 nan 0.000 0.542 317 H N -0.211 118.872 119.070 0.023 0.000 2.293 317 H HA -0.103 4.426 4.556 -0.045 0.000 0.300 317 H C 1.147 176.488 175.328 0.022 0.000 1.082 317 H CA 2.520 58.575 56.048 0.012 0.000 1.308 317 H CB 0.212 29.979 29.762 0.009 0.000 1.375 317 H HN 0.826 nan 8.280 nan 0.000 0.495 318 E N -0.181 120.094 120.200 0.124 0.000 2.058 318 E HA -0.130 4.193 4.350 -0.044 0.000 0.194 318 E C 2.481 179.085 176.600 0.007 0.000 0.997 318 E CA 1.273 57.713 56.400 0.066 0.000 0.801 318 E CB -0.488 29.268 29.700 0.092 0.000 0.746 318 E HN 0.560 nan 8.360 nan 0.000 0.450 319 G N 0.420 109.237 108.800 0.028 0.000 2.469 319 G HA2 -0.276 3.657 3.960 -0.044 0.000 0.219 319 G HA3 -0.276 3.657 3.960 -0.044 0.000 0.219 319 G C 1.667 176.588 174.900 0.035 0.000 1.150 319 G CA 1.109 46.229 45.100 0.033 0.000 0.763 319 G HN 0.267 nan 8.290 nan 0.000 0.561 320 V N 0.666 120.556 119.914 -0.040 0.000 2.343 320 V HA -0.119 3.974 4.120 -0.044 0.000 0.247 320 V C 2.844 178.887 176.094 -0.085 0.000 1.051 320 V CA 1.863 64.113 62.300 -0.082 0.000 1.036 320 V CB -0.281 31.430 31.823 -0.188 0.000 0.654 320 V HN 0.215 nan 8.190 nan 0.000 0.451 321 K N 0.340 120.637 120.400 -0.171 0.000 2.147 321 K HA -0.048 4.245 4.320 -0.044 0.000 0.205 321 K C 1.787 178.381 176.600 -0.010 0.000 1.049 321 K CA 1.135 57.350 56.287 -0.120 0.000 0.936 321 K CB -0.197 32.211 32.500 -0.153 0.000 0.722 321 K HN 0.449 nan 8.250 nan 0.000 0.446 322 R N -0.448 120.064 120.500 0.020 0.000 2.552 322 R HA 0.109 4.422 4.340 -0.044 0.000 0.314 322 R C 1.364 177.690 176.300 0.042 0.000 1.041 322 R CA -0.333 55.783 56.100 0.028 0.000 1.076 322 R CB -0.161 30.145 30.300 0.009 0.000 1.290 322 R HN 0.047 nan 8.270 nan 0.000 0.563 323 F N 2.293 122.208 119.950 -0.059 0.000 2.091 323 F HA -0.290 4.212 4.527 -0.042 0.000 0.299 323 F C 1.561 177.336 175.800 -0.042 0.000 1.103 323 F CA 1.884 59.851 58.000 -0.055 0.000 1.228 323 F CB 0.147 39.106 39.000 -0.068 0.000 0.984 323 F HN 0.015 nan 8.300 nan 0.000 0.477 324 D N 0.363 120.812 120.400 0.081 0.000 2.116 324 D HA -0.260 4.354 4.640 -0.044 0.000 0.193 324 D C 2.196 178.410 176.300 -0.144 0.000 0.998 324 D CA 1.876 55.860 54.000 -0.027 0.000 0.836 324 D CB -0.613 40.220 40.800 0.054 0.000 0.951 324 D HN 0.714 nan 8.370 nan 0.000 0.449 325 E N 0.615 120.755 120.200 -0.099 0.000 2.072 325 E HA -0.141 4.182 4.350 -0.044 0.000 0.191 325 E C 2.297 178.812 176.600 -0.142 0.000 0.985 325 E CA 0.702 57.047 56.400 -0.092 0.000 0.801 325 E CB -0.463 29.206 29.700 -0.051 0.000 0.750 325 E HN 0.256 nan 8.360 nan 0.000 0.452 326 I N 1.302 121.753 120.570 -0.198 0.000 2.226 326 I HA -0.246 3.897 4.170 -0.044 0.000 0.245 326 I C 2.700 178.636 176.117 -0.301 0.000 1.100 326 I CA 0.912 62.077 61.300 -0.225 0.000 1.374 326 I CB -0.257 37.612 38.000 -0.218 0.000 1.057 326 I HN 0.230 nan 8.210 nan 0.000 0.413 327 L N 0.589 121.514 121.223 -0.497 0.000 2.017 327 L HA -0.239 4.075 4.340 -0.044 0.000 0.208 327 L C 2.531 179.268 176.870 -0.221 0.000 1.073 327 L CA 1.736 56.308 54.840 -0.447 0.000 0.745 327 L CB -0.390 41.298 42.059 -0.618 0.000 0.894 327 L HN 0.328 nan 8.230 nan 0.000 0.432 328 E N -0.941 119.153 120.200 -0.177 0.000 2.219 328 E HA -0.234 4.090 4.350 -0.044 0.000 0.198 328 E C 1.883 178.434 176.600 -0.081 0.000 0.998 328 E CA 1.257 57.596 56.400 -0.102 0.000 0.818 328 E CB 0.211 29.864 29.700 -0.079 0.000 0.741 328 E HN 0.338 nan 8.360 nan 0.000 0.477 329 V N -0.216 119.643 119.914 -0.091 0.000 3.661 329 V HA 0.062 4.155 4.120 -0.044 0.000 0.271 329 V C 0.138 176.199 176.094 -0.056 0.000 1.315 329 V CA 0.173 62.435 62.300 -0.062 0.000 1.072 329 V CB 1.122 32.911 31.823 -0.057 0.000 0.830 329 V HN 0.030 nan 8.190 nan 0.000 0.443 330 S N -0.009 115.644 115.700 -0.077 0.000 2.690 330 S HA 0.320 4.763 4.470 -0.044 0.000 0.291 330 S C 0.532 175.106 174.600 -0.043 0.000 1.138 330 S CA -0.610 57.555 58.200 -0.058 0.000 1.013 330 S CB 1.466 64.619 63.200 -0.078 0.000 1.053 330 S HN 0.293 nan 8.310 nan 0.000 0.539 331 D N 0.571 120.961 120.400 -0.018 0.000 2.289 331 D HA 0.216 4.829 4.640 -0.044 0.000 0.207 331 D C 0.897 177.195 176.300 -0.003 0.000 0.966 331 D CA 0.712 54.708 54.000 -0.007 0.000 0.868 331 D CB 0.259 41.065 40.800 0.010 0.000 0.943 331 D HN 0.653 nan 8.370 nan 0.000 0.514 332 G N -0.434 108.365 108.800 -0.002 0.000 2.489 332 G HA2 0.456 4.390 3.960 -0.044 0.000 0.305 332 G HA3 0.456 4.390 3.960 -0.044 0.000 0.305 332 G C -1.781 173.119 174.900 -0.000 0.000 1.311 332 G CA -0.559 44.544 45.100 0.005 0.000 0.813 332 G HN -0.073 nan 8.290 nan 0.000 0.480 333 I N 0.480 121.058 120.570 0.015 0.000 2.769 333 I HA 0.528 4.671 4.170 -0.044 0.000 0.298 333 I C -0.609 175.492 176.117 -0.027 0.000 1.128 333 I CA -0.667 60.645 61.300 0.020 0.000 1.031 333 I CB 2.074 40.148 38.000 0.123 0.000 1.235 333 I HN 0.581 nan 8.210 nan 0.000 0.423 334 M N 5.436 124.992 119.600 -0.074 0.000 2.181 334 M HA 0.402 4.856 4.480 -0.044 0.000 0.323 334 M C -1.293 174.943 176.300 -0.107 0.000 1.004 334 M CA -0.747 54.458 55.300 -0.158 0.000 0.941 334 M CB 1.544 33.960 32.600 -0.307 0.000 1.579 334 M HN 0.255 nan 8.290 nan 0.000 0.427 335 V N 5.240 125.097 119.914 -0.095 0.000 2.341 335 V HA 0.173 4.266 4.120 -0.044 0.000 0.248 335 V C 0.724 176.756 176.094 -0.104 0.000 1.107 335 V CA -0.244 62.007 62.300 -0.082 0.000 1.069 335 V CB -0.074 31.707 31.823 -0.071 0.000 1.177 335 V HN 0.871 nan 8.190 nan 0.000 0.492 336 A N 5.407 128.155 122.820 -0.120 0.000 2.990 336 A HA 0.302 4.596 4.320 -0.044 0.000 0.282 336 A C 1.560 179.081 177.584 -0.106 0.000 1.688 336 A CA -0.326 51.627 52.037 -0.141 0.000 1.391 336 A CB -0.412 18.465 19.000 -0.204 0.000 1.112 336 A HN 0.849 nan 8.150 nan 0.000 0.588 337 R N 1.190 121.644 120.500 -0.076 0.000 2.091 337 R HA -0.151 4.162 4.340 -0.044 0.000 0.238 337 R C 2.384 178.660 176.300 -0.040 0.000 1.136 337 R CA 1.774 57.844 56.100 -0.049 0.000 0.959 337 R CB -0.304 29.977 30.300 -0.030 0.000 0.856 337 R HN 0.711 nan 8.270 nan 0.000 0.437 338 G N 1.257 110.035 108.800 -0.038 0.000 2.679 338 G HA2 -0.338 3.595 3.960 -0.044 0.000 0.217 338 G HA3 -0.338 3.595 3.960 -0.044 0.000 0.217 338 G C 0.975 175.865 174.900 -0.017 0.000 1.267 338 G CA 1.452 46.541 45.100 -0.018 0.000 0.799 338 G HN 0.270 nan 8.290 nan 0.000 0.606 339 D N 0.080 120.464 120.400 -0.027 0.000 2.097 339 D HA -0.098 4.515 4.640 -0.044 0.000 0.195 339 D C 2.524 178.817 176.300 -0.011 0.000 0.989 339 D CA 0.957 54.962 54.000 0.009 0.000 0.827 339 D CB -0.268 40.534 40.800 0.003 0.000 0.966 339 D HN 0.134 nan 8.370 nan 0.000 0.456 340 L N 1.340 122.537 121.223 -0.042 0.000 2.051 340 L HA -0.128 4.186 4.340 -0.044 0.000 0.214 340 L C 2.237 179.087 176.870 -0.033 0.000 1.076 340 L CA 1.935 56.755 54.840 -0.034 0.000 0.758 340 L CB -0.983 41.045 42.059 -0.051 0.000 0.890 340 L HN 0.034 nan 8.230 nan 0.000 0.433 341 G N -1.650 107.127 108.800 -0.037 0.000 2.776 341 G HA2 -0.060 3.873 3.960 -0.044 0.000 0.209 341 G HA3 -0.060 3.873 3.960 -0.044 0.000 0.209 341 G C 1.376 176.226 174.900 -0.083 0.000 1.145 341 G CA 0.762 45.837 45.100 -0.040 0.000 0.791 341 G HN 0.518 nan 8.290 nan 0.000 0.530 342 I N -1.120 119.386 120.570 -0.107 0.000 4.124 342 I HA 0.148 4.291 4.170 -0.044 0.000 0.311 342 I C 1.981 177.950 176.117 -0.247 0.000 1.259 342 I CA 0.049 61.209 61.300 -0.233 0.000 1.315 342 I CB 0.281 38.167 38.000 -0.191 0.000 1.223 342 I HN -0.052 nan 8.210 nan 0.000 0.441 343 E N 1.922 122.065 120.200 -0.096 0.000 2.112 343 E HA 0.091 4.414 4.350 -0.044 0.000 0.190 343 E C 0.834 177.422 176.600 -0.019 0.000 0.979 343 E CA 0.778 57.159 56.400 -0.031 0.000 0.814 343 E CB 0.399 30.126 29.700 0.045 0.000 0.762 343 E HN 0.527 nan 8.360 nan 0.000 0.460 344 I N -1.853 118.708 120.570 -0.016 0.000 2.797 344 I HA 0.474 4.617 4.170 -0.044 0.000 0.307 344 I C -2.661 173.440 176.117 -0.026 0.000 1.033 344 I CA -3.021 58.282 61.300 0.005 0.000 1.071 344 I CB 1.841 39.871 38.000 0.051 0.000 1.255 344 I HN -0.354 nan 8.210 nan 0.000 0.445 345 P HA 0.027 nan 4.420 nan 0.000 0.264 345 P C 0.455 177.759 177.300 0.006 0.000 1.183 345 P CA 0.209 63.307 63.100 -0.002 0.000 0.763 345 P CB 0.939 32.650 31.700 0.019 0.000 0.807 346 A N 4.160 126.983 122.820 0.005 0.000 1.948 346 A HA -0.266 4.027 4.320 -0.044 0.000 0.220 346 A C 1.719 179.345 177.584 0.070 0.000 1.177 346 A CA 1.850 53.902 52.037 0.024 0.000 0.636 346 A CB -1.104 17.907 19.000 0.019 0.000 0.815 346 A HN 0.581 nan 8.150 nan 0.000 0.449 347 E N -0.020 120.229 120.200 0.082 0.000 2.333 347 E HA -0.160 4.163 4.350 -0.044 0.000 0.200 347 E C 1.660 178.392 176.600 0.219 0.000 1.010 347 E CA 1.496 57.984 56.400 0.146 0.000 0.841 347 E CB -0.137 29.634 29.700 0.117 0.000 0.757 347 E HN 0.698 nan 8.360 nan 0.000 0.508 348 K N -0.449 120.007 120.400 0.093 0.000 2.367 348 K HA 0.137 4.430 4.320 -0.044 0.000 0.195 348 K C 1.744 178.269 176.600 -0.126 0.000 1.060 348 K CA 0.138 56.403 56.287 -0.036 0.000 1.022 348 K CB 0.597 33.071 32.500 -0.043 0.000 0.894 348 K HN -0.052 nan 8.250 nan 0.000 0.540 349 V N 2.390 122.296 119.914 -0.012 0.000 2.278 349 V HA -0.326 3.767 4.120 -0.044 0.000 0.251 349 V C 2.195 178.251 176.094 -0.063 0.000 1.062 349 V CA 2.322 64.603 62.300 -0.031 0.000 1.038 349 V CB -0.803 31.032 31.823 0.019 0.000 0.646 349 V HN 0.362 nan 8.190 nan 0.000 0.447 350 F N 0.496 120.424 119.950 -0.037 0.000 2.202 350 F HA -0.164 4.338 4.527 -0.041 0.000 0.301 350 F C 1.926 177.696 175.800 -0.050 0.000 1.082 350 F CA 1.601 59.578 58.000 -0.039 0.000 1.313 350 F CB -1.145 37.838 39.000 -0.028 0.000 1.024 350 F HN 0.107 nan 8.300 nan 0.000 0.495 351 L N 0.853 121.384 121.223 -1.153 0.000 2.027 351 L HA -0.101 4.212 4.340 -0.044 0.000 0.206 351 L C 3.034 179.668 176.870 -0.393 0.000 1.074 351 L CA 1.242 55.603 54.840 -0.798 0.000 0.745 351 L CB -1.331 40.280 42.059 -0.746 0.000 0.898 351 L HN 0.330 nan 8.230 nan 0.000 0.433 352 A N -0.245 122.390 122.820 -0.309 0.000 1.877 352 A HA -0.287 4.006 4.320 -0.044 0.000 0.216 352 A C 2.299 179.747 177.584 -0.227 0.000 1.186 352 A CA 1.907 53.796 52.037 -0.246 0.000 0.620 352 A CB -0.679 18.208 19.000 -0.188 0.000 0.822 352 A HN 0.520 nan 8.150 nan 0.000 0.443 353 Q N -0.094 119.608 119.800 -0.163 0.000 2.045 353 Q HA -0.265 4.049 4.340 -0.044 0.000 0.206 353 Q C 1.937 177.865 176.000 -0.119 0.000 0.991 353 Q CA 2.303 58.039 55.803 -0.112 0.000 0.851 353 Q CB -0.212 28.502 28.738 -0.039 0.000 0.911 353 Q HN 0.638 nan 8.270 nan 0.000 0.418 354 K N -0.197 120.139 120.400 -0.107 0.000 2.148 354 K HA -0.094 4.200 4.320 -0.044 0.000 0.204 354 K C 2.152 178.673 176.600 -0.132 0.000 1.050 354 K CA 1.198 57.437 56.287 -0.081 0.000 0.942 354 K CB -0.153 32.329 32.500 -0.030 0.000 0.724 354 K HN 0.342 nan 8.250 nan 0.000 0.446 355 M N 0.645 120.126 119.600 -0.198 0.000 2.099 355 M HA -0.134 4.320 4.480 -0.044 0.000 0.262 355 M C 1.895 177.999 176.300 -0.327 0.000 1.067 355 M CA 1.790 56.944 55.300 -0.243 0.000 1.124 355 M CB -0.196 32.236 32.600 -0.280 0.000 1.353 355 M HN 0.187 nan 8.290 nan 0.000 0.410 356 M N -0.040 119.306 119.600 -0.424 0.000 2.077 356 M HA -0.204 4.249 4.480 -0.044 0.000 0.261 356 M C 2.156 178.341 176.300 -0.191 0.000 1.070 356 M CA 1.520 56.486 55.300 -0.557 0.000 1.125 356 M CB -0.597 31.691 32.600 -0.521 0.000 1.339 356 M HN 0.246 nan 8.290 nan 0.000 0.409 357 I N 0.129 120.629 120.570 -0.118 0.000 2.248 357 I HA -0.239 3.904 4.170 -0.044 0.000 0.248 357 I C 2.536 178.632 176.117 -0.036 0.000 1.107 357 I CA 1.519 62.791 61.300 -0.046 0.000 1.373 357 I CB -1.118 36.859 38.000 -0.038 0.000 1.055 357 I HN 0.401 nan 8.210 nan 0.000 0.418 358 G N 0.598 109.358 108.800 -0.066 0.000 2.434 358 G HA2 -0.233 3.700 3.960 -0.044 0.000 0.214 358 G HA3 -0.233 3.700 3.960 -0.044 0.000 0.214 358 G C 1.777 176.665 174.900 -0.020 0.000 1.202 358 G CA 0.476 45.548 45.100 -0.047 0.000 0.788 358 G HN 0.228 nan 8.290 nan 0.000 0.539 359 R N -0.610 119.873 120.500 -0.028 0.000 2.096 359 R HA -0.096 4.217 4.340 -0.044 0.000 0.240 359 R C 2.743 179.110 176.300 0.111 0.000 1.139 359 R CA 1.666 57.802 56.100 0.061 0.000 0.952 359 R CB -0.845 29.532 30.300 0.128 0.000 0.854 359 R HN 0.416 nan 8.270 nan 0.000 0.436 360 C N 0.151 119.530 119.300 0.130 0.000 2.413 360 C HA -0.103 4.330 4.460 -0.044 0.000 0.277 360 C C 2.174 177.186 174.990 0.037 0.000 1.228 360 C CA 0.923 60.002 59.018 0.102 0.000 1.731 360 C CB -1.264 26.536 27.740 0.101 0.000 2.042 360 C HN 0.611 nan 8.230 nan 0.000 0.468 361 N N 0.495 119.207 118.700 0.020 0.000 2.091 361 N HA -0.219 4.494 4.740 -0.044 0.000 0.193 361 N C 1.588 177.093 175.510 -0.008 0.000 1.021 361 N CA 1.313 54.364 53.050 0.002 0.000 0.862 361 N CB -0.287 38.204 38.487 0.006 0.000 1.018 361 N HN 0.405 nan 8.380 nan 0.000 0.429 362 L N 0.999 122.225 121.223 0.006 0.000 2.017 362 L HA -0.112 4.202 4.340 -0.044 0.000 0.208 362 L C 2.250 179.115 176.870 -0.008 0.000 1.073 362 L CA 1.354 56.196 54.840 0.004 0.000 0.745 362 L CB -0.308 41.761 42.059 0.017 0.000 0.894 362 L HN 0.095 nan 8.230 nan 0.000 0.432 363 A N -1.233 121.589 122.820 0.004 0.000 2.119 363 A HA 0.214 4.507 4.320 -0.044 0.000 0.217 363 A C 1.698 179.259 177.584 -0.039 0.000 1.153 363 A CA 0.844 52.875 52.037 -0.010 0.000 0.692 363 A CB -0.793 18.208 19.000 0.002 0.000 0.799 363 A HN 0.718 nan 8.150 nan 0.000 0.458 364 G N -0.889 107.880 108.800 -0.052 0.000 2.137 364 G HA2 -0.224 3.709 3.960 -0.044 0.000 0.237 364 G HA3 -0.224 3.709 3.960 -0.044 0.000 0.237 364 G C 0.018 174.887 174.900 -0.053 0.000 1.002 364 G CA 0.477 45.528 45.100 -0.083 0.000 0.702 364 G HN 0.566 nan 8.290 nan 0.000 0.515 365 K N 0.252 120.636 120.400 -0.027 0.000 2.156 365 K HA 0.503 4.797 4.320 -0.044 0.000 0.250 365 K C -2.642 173.956 176.600 -0.002 0.000 0.955 365 K CA -2.100 54.177 56.287 -0.016 0.000 0.855 365 K CB 1.901 34.392 32.500 -0.015 0.000 1.101 365 K HN -0.050 nan 8.250 nan 0.000 0.434 366 P HA 0.026 nan 4.420 nan 0.000 0.268 366 P C -1.002 176.310 177.300 0.019 0.000 1.205 366 P CA -0.289 62.818 63.100 0.012 0.000 0.771 366 P CB 0.686 32.402 31.700 0.027 0.000 0.858 367 V N 4.490 124.413 119.914 0.014 0.000 2.709 367 V HA 0.419 4.513 4.120 -0.044 0.000 0.308 367 V C -0.922 175.163 176.094 -0.015 0.000 1.062 367 V CA -0.835 61.471 62.300 0.010 0.000 0.901 367 V CB 2.360 34.197 31.823 0.023 0.000 1.003 367 V HN 0.138 nan 8.190 nan 0.000 0.425 368 V N 5.978 125.862 119.914 -0.050 0.000 2.435 368 V HA 0.428 4.521 4.120 -0.044 0.000 0.290 368 V C 0.075 176.114 176.094 -0.091 0.000 1.030 368 V CA -0.534 61.712 62.300 -0.090 0.000 0.881 368 V CB 1.476 33.179 31.823 -0.201 0.000 0.983 368 V HN 1.033 nan 8.190 nan 0.000 0.445 369 C N 5.578 124.838 119.300 -0.068 0.000 2.330 369 C HA 0.896 5.329 4.460 -0.044 0.000 0.344 369 C C 0.407 175.357 174.990 -0.067 0.000 1.273 369 C CA -0.074 58.909 59.018 -0.059 0.000 1.879 369 C CB -0.403 27.319 27.740 -0.030 0.000 2.376 369 C HN 1.091 nan 8.230 nan 0.000 0.534 370 A N 4.396 127.173 122.820 -0.072 0.000 2.498 370 A HA 0.913 5.206 4.320 -0.044 0.000 0.298 370 A C -0.204 177.353 177.584 -0.044 0.000 1.075 370 A CA -0.137 51.857 52.037 -0.072 0.000 0.714 370 A CB 1.083 20.008 19.000 -0.125 0.000 1.299 370 A HN 1.501 nan 8.150 nan 0.000 0.407 371 T N 1.365 115.904 114.554 -0.025 0.000 0.643 371 T HA -0.080 4.243 4.350 -0.044 0.000 0.764 371 T C 0.070 174.771 174.700 0.002 0.000 0.990 371 T CA 0.712 62.807 62.100 -0.008 0.000 4.027 371 T CB -1.394 67.464 68.868 -0.017 0.000 2.276 371 T HN 1.589 nan 8.240 nan 0.000 0.395 372 Q N -0.111 119.697 119.800 0.014 0.000 2.460 372 Q HA -0.239 4.074 4.340 -0.044 0.000 0.248 372 Q C 1.444 177.453 176.000 0.015 0.000 0.847 372 Q CA 1.466 57.280 55.803 0.018 0.000 1.214 372 Q CB -1.188 27.560 28.738 0.016 0.000 1.523 372 Q HN 0.870 nan 8.270 nan 0.000 0.602 373 M N -0.657 118.952 119.600 0.014 0.000 2.460 373 M HA -0.089 4.364 4.480 -0.044 0.000 0.263 373 M C 0.429 176.739 176.300 0.016 0.000 1.071 373 M CA 1.063 56.371 55.300 0.013 0.000 1.096 373 M CB 0.245 32.851 32.600 0.011 0.000 1.408 373 M HN 0.120 nan 8.290 nan 0.000 0.463 374 L N -0.756 120.481 121.223 0.022 0.000 3.293 374 L HA 0.179 4.492 4.340 -0.044 0.000 0.345 374 L C 1.101 177.990 176.870 0.031 0.000 1.311 374 L CA 0.121 54.975 54.840 0.024 0.000 0.846 374 L CB 0.026 42.103 42.059 0.029 0.000 1.293 374 L HN -0.014 nan 8.230 nan 0.000 0.601 375 E N 0.212 120.430 120.200 0.030 0.000 2.086 375 E HA -0.255 4.068 4.350 -0.044 0.000 0.200 375 E C 1.982 178.607 176.600 0.042 0.000 1.012 375 E CA 1.844 58.266 56.400 0.036 0.000 0.812 375 E CB 0.149 29.868 29.700 0.031 0.000 0.743 375 E HN 0.619 nan 8.360 nan 0.000 0.453 376 S N 0.562 116.280 115.700 0.030 0.000 2.420 376 S HA -0.170 4.273 4.470 -0.044 0.000 0.237 376 S C 2.041 176.668 174.600 0.045 0.000 1.023 376 S CA 1.224 59.442 58.200 0.030 0.000 0.991 376 S CB -0.383 62.824 63.200 0.010 0.000 0.792 376 S HN 0.208 nan 8.310 nan 0.000 0.488 377 M N 0.634 120.262 119.600 0.047 0.000 2.279 377 M HA 0.060 4.513 4.480 -0.044 0.000 0.264 377 M C 1.973 178.385 176.300 0.186 0.000 1.062 377 M CA 1.062 56.410 55.300 0.080 0.000 1.099 377 M CB -0.751 31.884 32.600 0.059 0.000 1.394 377 M HN 0.327 nan 8.290 nan 0.000 0.426 378 I N -0.237 120.412 120.570 0.132 0.000 2.479 378 I HA -0.321 3.823 4.170 -0.044 0.000 0.258 378 I C 1.828 178.048 176.117 0.172 0.000 1.165 378 I CA 1.269 62.646 61.300 0.128 0.000 1.422 378 I CB -0.256 37.790 38.000 0.077 0.000 1.087 378 I HN 0.305 nan 8.210 nan 0.000 0.441 379 T N -1.265 113.410 114.554 0.201 0.000 2.993 379 T HA 0.211 4.534 4.350 -0.044 0.000 0.260 379 T C 0.213 175.086 174.700 0.288 0.000 0.939 379 T CA -0.103 62.120 62.100 0.205 0.000 0.886 379 T CB 0.595 69.528 68.868 0.108 0.000 1.209 379 T HN 0.071 nan 8.240 nan 0.000 0.518 380 K N 1.306 121.817 120.400 0.185 0.000 2.426 380 K HA 0.401 4.694 4.320 -0.044 0.000 0.251 380 K C -2.487 173.818 176.600 -0.492 0.000 0.941 380 K CA -2.099 54.153 56.287 -0.057 0.000 0.808 380 K CB 2.396 34.867 32.500 -0.048 0.000 1.265 380 K HN -0.284 nan 8.250 nan 0.000 0.432 381 P HA 0.015 nan 4.420 nan 0.000 0.241 381 P C -0.477 176.534 177.300 -0.482 0.000 1.191 381 P CA 0.529 62.961 63.100 -1.113 0.000 0.771 381 P CB 0.474 31.686 31.700 -0.814 0.000 0.929 382 R N -0.056 120.272 120.500 -0.287 0.000 2.686 382 R HA 0.500 4.813 4.340 -0.044 0.000 0.283 382 R C -2.828 173.412 176.300 -0.100 0.000 0.978 382 R CA -2.478 53.529 56.100 -0.154 0.000 0.897 382 R CB 0.769 31.001 30.300 -0.113 0.000 1.192 382 R HN -0.064 nan 8.270 nan 0.000 0.457 383 P HA 0.168 nan 4.420 nan 0.000 0.278 383 P C -0.065 177.217 177.300 -0.029 0.000 1.258 383 P CA -0.339 62.740 63.100 -0.035 0.000 0.811 383 P CB 0.481 32.169 31.700 -0.020 0.000 1.063 384 T N -1.272 113.272 114.554 -0.018 0.000 2.816 384 T HA 0.220 4.544 4.350 -0.044 0.000 0.282 384 T C 1.354 176.045 174.700 -0.015 0.000 0.993 384 T CA -0.622 61.468 62.100 -0.016 0.000 0.994 384 T CB 0.442 69.304 68.868 -0.010 0.000 1.025 384 T HN 0.172 nan 8.240 nan 0.000 0.529 385 R N 0.612 121.103 120.500 -0.015 0.000 2.189 385 R HA 0.084 4.397 4.340 -0.044 0.000 0.218 385 R C 2.385 178.676 176.300 -0.014 0.000 1.074 385 R CA 1.131 57.222 56.100 -0.016 0.000 0.991 385 R CB -1.447 28.843 30.300 -0.017 0.000 0.883 385 R HN 0.827 nan 8.270 nan 0.000 0.457 386 A N 1.106 123.919 122.820 -0.013 0.000 2.021 386 A HA -0.069 4.224 4.320 -0.044 0.000 0.216 386 A C 1.890 179.469 177.584 -0.008 0.000 1.163 386 A CA 0.682 52.711 52.037 -0.013 0.000 0.676 386 A CB -0.031 18.962 19.000 -0.013 0.000 0.818 386 A HN 0.289 nan 8.150 nan 0.000 0.453 387 E N -0.862 119.335 120.200 -0.006 0.000 2.046 387 E HA -0.099 4.225 4.350 -0.044 0.000 0.190 387 E C 1.980 178.580 176.600 -0.001 0.000 0.982 387 E CA 1.345 57.745 56.400 -0.001 0.000 0.800 387 E CB -0.371 29.330 29.700 0.001 0.000 0.756 387 E HN 0.456 nan 8.360 nan 0.000 0.449 388 T N 0.833 115.385 114.554 -0.004 0.000 2.624 388 T HA -0.247 4.076 4.350 -0.044 0.000 0.268 388 T C 2.175 176.874 174.700 -0.003 0.000 1.041 388 T CA 2.003 64.101 62.100 -0.004 0.000 1.159 388 T CB -0.390 68.472 68.868 -0.009 0.000 0.863 388 T HN 0.266 nan 8.240 nan 0.000 0.434 389 S N 0.807 116.504 115.700 -0.006 0.000 2.383 389 S HA -0.166 4.277 4.470 -0.044 0.000 0.227 389 S C 1.842 176.442 174.600 0.000 0.000 1.026 389 S CA 1.928 60.125 58.200 -0.005 0.000 0.981 389 S CB -0.580 62.613 63.200 -0.011 0.000 0.818 389 S HN 0.485 nan 8.310 nan 0.000 0.472 390 D N 1.067 121.466 120.400 -0.000 0.000 2.106 390 D HA -0.117 4.496 4.640 -0.044 0.000 0.191 390 D C 1.887 178.193 176.300 0.009 0.000 0.997 390 D CA 1.711 55.714 54.000 0.005 0.000 0.834 390 D CB -0.485 40.318 40.800 0.005 0.000 0.956 390 D HN 0.324 nan 8.370 nan 0.000 0.448 391 V N 0.880 120.799 119.914 0.008 0.000 2.233 391 V HA -0.264 3.830 4.120 -0.044 0.000 0.247 391 V C 2.620 178.722 176.094 0.013 0.000 1.050 391 V CA 2.077 64.384 62.300 0.011 0.000 1.010 391 V CB -1.201 30.628 31.823 0.011 0.000 0.637 391 V HN 0.346 nan 8.190 nan 0.000 0.444 392 A N 0.581 123.408 122.820 0.012 0.000 1.903 392 A HA -0.299 3.994 4.320 -0.044 0.000 0.219 392 A C 2.051 179.651 177.584 0.027 0.000 1.191 392 A CA 2.360 54.408 52.037 0.017 0.000 0.638 392 A CB -0.850 18.157 19.000 0.013 0.000 0.823 392 A HN 0.638 nan 8.150 nan 0.000 0.451 393 N N 0.166 118.881 118.700 0.025 0.000 2.289 393 N HA -0.098 4.616 4.740 -0.044 0.000 0.184 393 N C 1.855 177.384 175.510 0.031 0.000 1.016 393 N CA 1.327 54.397 53.050 0.033 0.000 0.872 393 N CB -0.456 38.049 38.487 0.029 0.000 0.973 393 N HN 0.529 nan 8.380 nan 0.000 0.433 394 A N 0.854 123.688 122.820 0.023 0.000 1.898 394 A HA -0.065 4.229 4.320 -0.044 0.000 0.216 394 A C 2.554 180.150 177.584 0.019 0.000 1.181 394 A CA 1.131 53.178 52.037 0.017 0.000 0.620 394 A CB -0.721 18.285 19.000 0.009 0.000 0.819 394 A HN 0.086 nan 8.150 nan 0.000 0.442 395 V N -0.168 119.760 119.914 0.023 0.000 2.261 395 V HA -0.203 3.891 4.120 -0.044 0.000 0.246 395 V C 2.458 178.573 176.094 0.035 0.000 1.047 395 V CA 1.749 64.065 62.300 0.028 0.000 1.015 395 V CB -0.695 31.146 31.823 0.030 0.000 0.642 395 V HN 0.473 nan 8.190 nan 0.000 0.446 396 L N -0.003 121.248 121.223 0.045 0.000 2.191 396 L HA -0.156 4.158 4.340 -0.044 0.000 0.212 396 L C 2.125 179.022 176.870 0.044 0.000 1.103 396 L CA 1.702 56.578 54.840 0.061 0.000 0.769 396 L CB -1.375 40.738 42.059 0.089 0.000 0.908 396 L HN 0.378 nan 8.230 nan 0.000 0.438 397 D N -0.282 120.137 120.400 0.032 0.000 2.117 397 D HA -0.025 4.588 4.640 -0.044 0.000 0.198 397 D C 1.594 177.899 176.300 0.008 0.000 0.982 397 D CA 1.525 55.535 54.000 0.016 0.000 0.828 397 D CB 0.132 40.940 40.800 0.013 0.000 0.967 397 D HN 0.393 nan 8.370 nan 0.000 0.464 398 G N -0.480 108.328 108.800 0.014 0.000 2.165 398 G HA2 0.080 4.013 3.960 -0.044 0.000 0.144 398 G HA3 0.080 4.013 3.960 -0.044 0.000 0.144 398 G C 0.090 174.997 174.900 0.011 0.000 1.049 398 G CA 0.043 45.152 45.100 0.015 0.000 0.741 398 G HN 0.496 nan 8.290 nan 0.000 0.493 399 A N 0.007 122.832 122.820 0.009 0.000 2.388 399 A HA 0.601 4.894 4.320 -0.044 0.000 0.257 399 A C 1.127 178.714 177.584 0.005 0.000 1.095 399 A CA 0.512 52.551 52.037 0.002 0.000 0.791 399 A CB 0.434 19.432 19.000 -0.002 0.000 1.029 399 A HN 0.189 nan 8.150 nan 0.000 0.489 400 D N 0.230 120.630 120.400 0.001 0.000 2.162 400 D HA 0.016 4.630 4.640 -0.044 0.000 0.203 400 D C 0.103 176.405 176.300 0.003 0.000 0.967 400 D CA 1.310 55.310 54.000 0.000 0.000 0.840 400 D CB 0.118 40.919 40.800 0.001 0.000 0.972 400 D HN 0.559 nan 8.370 nan 0.000 0.482 401 C N 0.614 119.915 119.300 0.002 0.000 2.898 401 C HA 0.630 5.064 4.460 -0.044 0.000 0.304 401 C C -0.185 174.802 174.990 -0.005 0.000 1.237 401 C CA -1.162 57.861 59.018 0.007 0.000 1.529 401 C CB 1.924 29.679 27.740 0.024 0.000 2.021 401 C HN 0.155 nan 8.230 nan 0.000 0.474 402 I N -0.051 120.521 120.570 0.004 0.000 2.646 402 I HA 0.764 4.908 4.170 -0.044 0.000 0.299 402 I C -0.684 175.437 176.117 0.006 0.000 1.036 402 I CA -0.719 60.581 61.300 -0.001 0.000 1.074 402 I CB 1.592 39.597 38.000 0.010 0.000 1.258 402 I HN 0.694 nan 8.210 nan 0.000 0.430 403 M N 5.002 124.599 119.600 -0.005 0.000 2.762 403 M HA 0.702 5.156 4.480 -0.044 0.000 0.306 403 M C -1.689 174.625 176.300 0.024 0.000 1.223 403 M CA -0.797 54.508 55.300 0.008 0.000 0.896 403 M CB 2.428 35.012 32.600 -0.028 0.000 1.684 403 M HN 0.630 nan 8.290 nan 0.000 0.491 404 L N 0.387 121.635 121.223 0.042 0.000 2.445 404 L HA 0.500 4.813 4.340 -0.044 0.000 0.262 404 L C -0.606 176.299 176.870 0.059 0.000 0.974 404 L CA -0.317 54.552 54.840 0.047 0.000 0.822 404 L CB 2.465 44.557 42.059 0.054 0.000 1.339 404 L HN 0.778 nan 8.230 nan 0.000 0.409 405 S N 0.345 116.078 115.700 0.056 0.000 3.385 405 S HA 0.188 4.631 4.470 -0.044 0.000 0.176 405 S C 1.501 176.137 174.600 0.060 0.000 0.851 405 S CA 0.395 58.634 58.200 0.065 0.000 1.039 405 S CB -0.260 62.976 63.200 0.060 0.000 1.241 405 S HN 0.872 nan 8.310 nan 0.000 0.859 406 G N 1.615 110.445 108.800 0.051 0.000 2.503 406 G HA2 -0.277 3.657 3.960 -0.044 0.000 0.221 406 G HA3 -0.277 3.657 3.960 -0.044 0.000 0.221 406 G C 1.018 175.948 174.900 0.050 0.000 1.131 406 G CA 1.654 46.780 45.100 0.043 0.000 0.756 406 G HN 0.551 nan 8.290 nan 0.000 0.572 407 E N -0.115 120.120 120.200 0.058 0.000 2.171 407 E HA -0.096 4.227 4.350 -0.044 0.000 0.197 407 E C 2.704 179.348 176.600 0.073 0.000 0.997 407 E CA 1.855 58.299 56.400 0.072 0.000 0.810 407 E CB -0.266 29.477 29.700 0.071 0.000 0.738 407 E HN 0.650 nan 8.360 nan 0.000 0.467 408 T N -3.574 111.018 114.554 0.063 0.000 2.971 408 T HA 0.441 4.764 4.350 -0.044 0.000 0.252 408 T C 1.818 176.548 174.700 0.050 0.000 1.022 408 T CA 0.170 62.305 62.100 0.058 0.000 0.980 408 T CB 0.345 69.250 68.868 0.061 0.000 1.044 408 T HN 0.135 nan 8.240 nan 0.000 0.501 409 A N 2.614 125.465 122.820 0.052 0.000 1.935 409 A HA 0.222 4.515 4.320 -0.044 0.000 0.214 409 A C 1.984 179.584 177.584 0.026 0.000 1.178 409 A CA 0.970 53.036 52.037 0.049 0.000 0.640 409 A CB -0.121 18.914 19.000 0.058 0.000 0.825 409 A HN 0.579 nan 8.150 nan 0.000 0.447 410 K N -1.404 119.005 120.400 0.015 0.000 2.529 410 K HA 0.282 4.575 4.320 -0.044 0.000 0.215 410 K C 0.984 177.577 176.600 -0.011 0.000 1.286 410 K CA 0.359 56.644 56.287 -0.004 0.000 0.997 410 K CB 0.337 32.828 32.500 -0.014 0.000 1.063 410 K HN 0.276 nan 8.250 nan 0.000 0.590 411 G N 0.978 109.782 108.800 0.006 0.000 2.653 411 G HA2 0.006 3.939 3.960 -0.044 0.000 0.265 411 G HA3 0.006 3.939 3.960 -0.044 0.000 0.265 411 G C 0.101 174.960 174.900 -0.069 0.000 1.237 411 G CA -0.472 44.632 45.100 0.007 0.000 0.946 411 G HN 0.063 nan 8.290 nan 0.000 0.522 412 N N -0.926 117.683 118.700 -0.152 0.000 2.398 412 N HA 0.083 4.796 4.740 -0.044 0.000 0.188 412 N C -0.401 174.570 175.510 -0.899 0.000 1.122 412 N CA 0.384 53.127 53.050 -0.512 0.000 0.866 412 N CB 0.269 38.372 38.487 -0.640 0.000 0.970 412 N HN 0.383 nan 8.380 nan 0.000 0.462 413 F N -0.152 119.807 119.950 0.016 0.000 2.541 413 F HA 0.314 4.816 4.527 -0.043 0.000 0.368 413 F C -1.680 174.132 175.800 0.020 0.000 1.530 413 F CA -1.387 56.624 58.000 0.017 0.000 1.102 413 F CB 1.525 40.535 39.000 0.017 0.000 1.382 413 F HN -0.140 nan 8.300 nan 0.000 0.541 414 P HA -0.132 nan 4.420 nan 0.000 0.215 414 P C 1.772 179.128 177.300 0.092 0.000 1.157 414 P CA 1.290 64.442 63.100 0.086 0.000 0.863 414 P CB 0.516 32.243 31.700 0.046 0.000 0.787 415 V N 0.586 120.553 119.914 0.088 0.000 2.358 415 V HA -0.208 3.885 4.120 -0.044 0.000 0.246 415 V C 2.546 178.697 176.094 0.094 0.000 1.047 415 V CA 2.056 64.403 62.300 0.079 0.000 1.035 415 V CB -1.476 30.387 31.823 0.067 0.000 0.658 415 V HN 0.056 nan 8.190 nan 0.000 0.452 416 E N 0.839 121.122 120.200 0.138 0.000 2.085 416 E HA -0.209 4.115 4.350 -0.044 0.000 0.194 416 E C 2.261 178.914 176.600 0.090 0.000 0.994 416 E CA 1.597 58.067 56.400 0.116 0.000 0.801 416 E CB -0.647 29.136 29.700 0.139 0.000 0.743 416 E HN 0.587 nan 8.360 nan 0.000 0.453 417 A N 0.458 123.345 122.820 0.111 0.000 1.908 417 A HA -0.187 4.106 4.320 -0.044 0.000 0.218 417 A C 2.489 180.116 177.584 0.072 0.000 1.181 417 A CA 1.595 53.683 52.037 0.085 0.000 0.627 417 A CB -0.744 18.313 19.000 0.096 0.000 0.818 417 A HN 0.166 nan 8.150 nan 0.000 0.445 418 V N 0.052 120.008 119.914 0.071 0.000 2.358 418 V HA -0.243 3.851 4.120 -0.044 0.000 0.246 418 V C 2.416 178.558 176.094 0.082 0.000 1.047 418 V CA 2.208 64.547 62.300 0.065 0.000 1.035 418 V CB -0.647 31.204 31.823 0.047 0.000 0.658 418 V HN 0.533 nan 8.190 nan 0.000 0.452 419 K N -0.696 119.748 120.400 0.074 0.000 2.113 419 K HA -0.262 4.031 4.320 -0.044 0.000 0.208 419 K C 2.142 178.815 176.600 0.123 0.000 1.047 419 K CA 1.998 58.340 56.287 0.093 0.000 0.928 419 K CB -0.291 32.250 32.500 0.067 0.000 0.716 419 K HN 0.309 nan 8.250 nan 0.000 0.446 420 M N 1.473 121.121 119.600 0.081 0.000 2.077 420 M HA -0.190 4.264 4.480 -0.044 0.000 0.261 420 M C 2.003 178.340 176.300 0.062 0.000 1.070 420 M CA 1.697 57.033 55.300 0.060 0.000 1.125 420 M CB -0.117 32.502 32.600 0.033 0.000 1.339 420 M HN 0.053 nan 8.290 nan 0.000 0.409 421 Q N -1.352 118.489 119.800 0.067 0.000 2.112 421 Q HA -0.296 4.018 4.340 -0.044 0.000 0.206 421 Q C 2.125 178.171 176.000 0.076 0.000 0.987 421 Q CA 2.239 58.078 55.803 0.060 0.000 0.858 421 Q CB -0.760 28.014 28.738 0.060 0.000 0.905 421 Q HN 0.738 nan 8.270 nan 0.000 0.420 422 H N 0.508 119.594 119.070 0.027 0.000 2.290 422 H HA -0.136 4.395 4.556 -0.043 0.000 0.298 422 H C 1.933 177.282 175.328 0.035 0.000 1.087 422 H CA 2.191 58.259 56.048 0.033 0.000 1.291 422 H CB -0.186 29.596 29.762 0.033 0.000 1.369 422 H HN 0.253 nan 8.280 nan 0.000 0.492 423 A N 0.552 123.357 122.820 -0.025 0.000 1.877 423 A HA -0.114 4.179 4.320 -0.044 0.000 0.216 423 A C 2.607 180.142 177.584 -0.082 0.000 1.186 423 A CA 1.809 53.803 52.037 -0.072 0.000 0.620 423 A CB -0.867 18.149 19.000 0.026 0.000 0.822 423 A HN 0.534 nan 8.150 nan 0.000 0.443 424 I N -0.156 120.392 120.570 -0.037 0.000 2.179 424 I HA -0.254 3.889 4.170 -0.044 0.000 0.242 424 I C 2.948 179.044 176.117 -0.035 0.000 1.088 424 I CA 1.105 62.390 61.300 -0.026 0.000 1.357 424 I CB -0.412 37.585 38.000 -0.006 0.000 1.051 424 I HN 0.326 nan 8.210 nan 0.000 0.409 425 A N 0.838 123.632 122.820 -0.043 0.000 1.940 425 A HA -0.200 4.093 4.320 -0.044 0.000 0.219 425 A C 2.429 179.988 177.584 -0.042 0.000 1.176 425 A CA 1.471 53.491 52.037 -0.028 0.000 0.631 425 A CB -0.562 18.429 19.000 -0.014 0.000 0.814 425 A HN 0.321 nan 8.150 nan 0.000 0.446 426 R N -0.530 119.905 120.500 -0.110 0.000 2.075 426 R HA -0.101 4.212 4.340 -0.044 0.000 0.232 426 R C 2.028 178.311 176.300 -0.029 0.000 1.126 426 R CA 1.323 57.370 56.100 -0.088 0.000 0.963 426 R CB -0.343 29.855 30.300 -0.169 0.000 0.858 426 R HN 0.548 nan 8.270 nan 0.000 0.435 427 E N 0.806 120.987 120.200 -0.031 0.000 2.058 427 E HA -0.169 4.155 4.350 -0.044 0.000 0.194 427 E C 2.022 178.630 176.600 0.014 0.000 0.997 427 E CA 1.450 57.847 56.400 -0.006 0.000 0.801 427 E CB -0.289 29.404 29.700 -0.013 0.000 0.746 427 E HN 0.312 nan 8.360 nan 0.000 0.450 428 A N 1.412 124.240 122.820 0.014 0.000 1.877 428 A HA -0.218 4.075 4.320 -0.044 0.000 0.216 428 A C 2.092 179.707 177.584 0.052 0.000 1.186 428 A CA 1.705 53.761 52.037 0.032 0.000 0.620 428 A CB -0.553 18.463 19.000 0.027 0.000 0.822 428 A HN 0.216 nan 8.150 nan 0.000 0.443 429 E N -0.176 120.055 120.200 0.051 0.000 2.070 429 E HA -0.186 4.138 4.350 -0.044 0.000 0.197 429 E C 2.213 178.884 176.600 0.118 0.000 1.004 429 E CA 1.344 57.793 56.400 0.082 0.000 0.805 429 E CB -0.345 29.404 29.700 0.081 0.000 0.744 429 E HN 0.617 nan 8.360 nan 0.000 0.451 430 A N 0.754 123.637 122.820 0.105 0.000 2.076 430 A HA -0.075 4.218 4.320 -0.044 0.000 0.220 430 A C 2.166 179.834 177.584 0.139 0.000 1.160 430 A CA 1.558 53.673 52.037 0.129 0.000 0.653 430 A CB -0.381 18.669 19.000 0.084 0.000 0.801 430 A HN 0.284 nan 8.150 nan 0.000 0.455 431 A N -0.834 122.052 122.820 0.111 0.000 2.275 431 A HA 0.456 4.750 4.320 -0.044 0.000 0.212 431 A C 0.740 178.457 177.584 0.222 0.000 1.201 431 A CA -0.057 52.067 52.037 0.146 0.000 0.843 431 A CB -0.274 18.775 19.000 0.082 0.000 0.873 431 A HN 0.203 nan 8.150 nan 0.000 0.492 432 V N 0.529 120.481 119.914 0.064 0.000 2.599 432 V HA -0.104 3.990 4.120 -0.044 0.000 0.300 432 V C 0.446 176.429 176.094 -0.185 0.000 1.034 432 V CA 0.247 62.488 62.300 -0.099 0.000 1.115 432 V CB 0.005 31.628 31.823 -0.334 0.000 0.934 432 V HN 0.494 nan 8.190 nan 0.000 0.485 433 Y N 6.103 126.212 120.300 -0.318 0.000 2.623 433 Y HA 0.190 4.727 4.550 -0.023 0.000 0.341 433 Y C 1.647 177.421 175.900 -0.210 0.000 1.292 433 Y CA -0.650 57.194 58.100 -0.427 0.000 1.840 433 Y CB -0.856 37.223 38.460 -0.635 0.000 1.865 433 Y HN 0.745 nan 8.280 nan 0.000 0.440 434 H N 1.929 120.984 119.070 -0.025 0.000 2.353 434 H HA -0.260 4.271 4.556 -0.041 0.000 0.298 434 H C 2.299 177.472 175.328 -0.258 0.000 1.103 434 H CA 1.931 57.951 56.048 -0.047 0.000 1.293 434 H CB 0.051 29.884 29.762 0.117 0.000 1.372 434 H HN 0.540 nan 8.280 nan 0.000 0.501 435 R N 1.030 121.318 120.500 -0.353 0.000 2.168 435 R HA -0.269 4.044 4.340 -0.044 0.000 0.242 435 R C 2.451 178.471 176.300 -0.466 0.000 1.123 435 R CA 2.447 58.258 56.100 -0.481 0.000 0.928 435 R CB -0.342 29.605 30.300 -0.590 0.000 0.873 435 R HN 0.409 nan 8.270 nan 0.000 0.434 436 Q N -0.149 119.207 119.800 -0.740 0.000 2.061 436 Q HA -0.198 4.116 4.340 -0.044 0.000 0.204 436 Q C 2.256 178.166 176.000 -0.151 0.000 0.984 436 Q CA 1.816 57.419 55.803 -0.332 0.000 0.846 436 Q CB -0.158 28.496 28.738 -0.139 0.000 0.902 436 Q HN 0.389 nan 8.270 nan 0.000 0.421 437 L N 0.183 121.340 121.223 -0.110 0.000 1.970 437 L HA -0.184 4.129 4.340 -0.044 0.000 0.212 437 L C 2.110 179.062 176.870 0.138 0.000 1.071 437 L CA 1.866 56.719 54.840 0.022 0.000 0.751 437 L CB -1.081 41.010 42.059 0.053 0.000 0.889 437 L HN 0.329 nan 8.230 nan 0.000 0.432 438 F N 0.923 120.847 119.950 -0.043 0.000 2.069 438 F HA -0.226 4.273 4.527 -0.047 0.000 0.298 438 F C 2.467 178.238 175.800 -0.048 0.000 1.113 438 F CA 2.069 60.057 58.000 -0.021 0.000 1.214 438 F CB -0.775 38.121 39.000 -0.173 0.000 0.978 438 F HN 0.309 nan 8.300 nan 0.000 0.474 439 E N 0.001 120.104 120.200 -0.162 0.000 2.065 439 E HA -0.273 4.051 4.350 -0.044 0.000 0.201 439 E C 2.131 178.643 176.600 -0.146 0.000 1.016 439 E CA 1.956 58.206 56.400 -0.251 0.000 0.818 439 E CB -0.340 29.246 29.700 -0.190 0.000 0.749 439 E HN 0.583 nan 8.360 nan 0.000 0.453 440 E N 0.416 120.577 120.200 -0.064 0.000 2.077 440 E HA -0.179 4.145 4.350 -0.044 0.000 0.193 440 E C 2.353 178.961 176.600 0.012 0.000 0.989 440 E CA 0.747 57.130 56.400 -0.029 0.000 0.800 440 E CB -0.125 29.561 29.700 -0.023 0.000 0.746 440 E HN 0.252 nan 8.360 nan 0.000 0.452 441 L N 0.804 122.074 121.223 0.079 0.000 1.976 441 L HA -0.192 4.121 4.340 -0.044 0.000 0.209 441 L C 2.652 179.626 176.870 0.173 0.000 1.071 441 L CA 1.282 56.218 54.840 0.161 0.000 0.746 441 L CB -0.538 41.698 42.059 0.296 0.000 0.890 441 L HN 0.054 nan 8.230 nan 0.000 0.432 442 R N -0.028 120.533 120.500 0.101 0.000 2.143 442 R HA -0.262 4.051 4.340 -0.044 0.000 0.239 442 R C 2.395 178.685 176.300 -0.016 0.000 1.126 442 R CA 1.879 57.966 56.100 -0.022 0.000 0.927 442 R CB -0.780 29.337 30.300 -0.304 0.000 0.860 442 R HN 0.302 nan 8.270 nan 0.000 0.433 443 R N 0.177 120.639 120.500 -0.062 0.000 2.119 443 R HA -0.201 4.112 4.340 -0.044 0.000 0.246 443 R C 2.316 178.610 176.300 -0.010 0.000 1.146 443 R CA 1.922 57.993 56.100 -0.047 0.000 0.962 443 R CB -0.279 29.986 30.300 -0.058 0.000 0.863 443 R HN 0.364 nan 8.270 nan 0.000 0.442 444 A N 0.426 123.253 122.820 0.011 0.000 1.903 444 A HA 0.232 4.525 4.320 -0.044 0.000 0.213 444 A C 1.001 178.606 177.584 0.035 0.000 1.185 444 A CA 0.651 52.700 52.037 0.019 0.000 0.628 444 A CB -0.199 18.812 19.000 0.018 0.000 0.830 444 A HN 0.392 nan 8.150 nan 0.000 0.446 445 A N 1.847 124.709 122.820 0.069 0.000 2.524 445 A HA 0.482 4.775 4.320 -0.044 0.000 0.250 445 A C -1.855 175.771 177.584 0.070 0.000 1.078 445 A CA -0.936 51.154 52.037 0.088 0.000 0.761 445 A CB -0.472 18.635 19.000 0.178 0.000 1.012 445 A HN 0.399 nan 8.150 nan 0.000 0.500 446 P HA 0.226 nan 4.420 nan 0.000 0.272 446 P C 0.083 177.411 177.300 0.046 0.000 1.240 446 P CA -0.341 62.781 63.100 0.037 0.000 0.791 446 P CB 0.390 32.106 31.700 0.028 0.000 0.978 447 L N 0.088 121.330 121.223 0.031 0.000 2.477 447 L HA 0.130 4.443 4.340 -0.044 0.000 0.289 447 L C 1.150 178.044 176.870 0.040 0.000 1.279 447 L CA 0.797 55.655 54.840 0.030 0.000 0.825 447 L CB -0.526 41.543 42.059 0.017 0.000 1.085 447 L HN 0.499 nan 8.230 nan 0.000 0.548 448 S N -1.040 114.685 115.700 0.041 0.000 2.547 448 S HA 0.511 4.954 4.470 -0.044 0.000 0.270 448 S C -0.171 174.452 174.600 0.038 0.000 1.150 448 S CA -0.743 57.484 58.200 0.046 0.000 0.850 448 S CB 1.913 65.156 63.200 0.071 0.000 1.118 448 S HN 0.616 nan 8.310 nan 0.000 0.461 449 R N 1.062 121.582 120.500 0.035 0.000 2.446 449 R HA 0.300 4.614 4.340 -0.044 0.000 0.254 449 R C -0.608 175.714 176.300 0.037 0.000 0.918 449 R CA 0.000 56.119 56.100 0.030 0.000 1.069 449 R CB 0.307 30.621 30.300 0.023 0.000 1.194 449 R HN 0.634 nan 8.270 nan 0.000 0.534 450 D N 0.561 120.986 120.400 0.040 0.000 2.338 450 D HA 0.063 4.677 4.640 -0.044 0.000 0.255 450 D C -1.708 174.627 176.300 0.058 0.000 1.237 450 D CA -2.183 51.842 54.000 0.042 0.000 0.883 450 D CB 1.561 42.381 40.800 0.033 0.000 1.087 450 D HN -0.069 nan 8.370 nan 0.000 0.485 451 P HA -0.165 nan 4.420 nan 0.000 0.217 451 P C 1.130 178.486 177.300 0.093 0.000 1.151 451 P CA 1.370 64.522 63.100 0.088 0.000 0.849 451 P CB 0.164 31.939 31.700 0.125 0.000 0.787 452 T N -0.649 113.956 114.554 0.085 0.000 2.684 452 T HA -0.178 4.145 4.350 -0.044 0.000 0.267 452 T C 1.652 176.408 174.700 0.094 0.000 1.036 452 T CA 1.235 63.384 62.100 0.082 0.000 1.148 452 T CB -0.697 68.204 68.868 0.055 0.000 0.863 452 T HN 0.290 nan 8.240 nan 0.000 0.436 453 E N 0.505 120.764 120.200 0.098 0.000 2.058 453 E HA -0.118 4.206 4.350 -0.044 0.000 0.194 453 E C 2.477 179.162 176.600 0.142 0.000 0.997 453 E CA 1.204 57.693 56.400 0.148 0.000 0.801 453 E CB -0.324 29.463 29.700 0.145 0.000 0.746 453 E HN 0.302 nan 8.360 nan 0.000 0.450 454 V N 1.197 121.168 119.914 0.096 0.000 2.380 454 V HA -0.271 3.822 4.120 -0.044 0.000 0.251 454 V C 2.344 178.473 176.094 0.059 0.000 1.063 454 V CA 2.226 64.565 62.300 0.065 0.000 1.055 454 V CB -0.957 30.899 31.823 0.054 0.000 0.657 454 V HN 0.299 nan 8.190 nan 0.000 0.455 455 T N 0.196 114.794 114.554 0.074 0.000 2.857 455 T HA -0.026 4.297 4.350 -0.044 0.000 0.266 455 T C 2.122 176.862 174.700 0.067 0.000 1.048 455 T CA 1.330 63.471 62.100 0.068 0.000 1.139 455 T CB -0.396 68.521 68.868 0.081 0.000 0.874 455 T HN 0.570 nan 8.240 nan 0.000 0.455 456 A N 1.703 124.580 122.820 0.096 0.000 1.851 456 A HA -0.069 4.225 4.320 -0.044 0.000 0.216 456 A C 2.301 179.938 177.584 0.088 0.000 1.195 456 A CA 1.512 53.624 52.037 0.125 0.000 0.622 456 A CB -1.018 18.110 19.000 0.213 0.000 0.831 456 A HN 0.502 nan 8.150 nan 0.000 0.444 457 I N -0.571 120.009 120.570 0.017 0.000 2.264 457 I HA -0.192 3.952 4.170 -0.044 0.000 0.248 457 I C 2.341 178.438 176.117 -0.035 0.000 1.111 457 I CA 1.467 62.643 61.300 -0.207 0.000 1.382 457 I CB -0.459 37.257 38.000 -0.474 0.000 1.060 457 I HN 0.374 nan 8.210 nan 0.000 0.418 458 G N 0.180 108.980 108.800 -0.000 0.000 2.421 458 G HA2 -0.293 3.640 3.960 -0.044 0.000 0.216 458 G HA3 -0.293 3.640 3.960 -0.044 0.000 0.216 458 G C 1.752 176.670 174.900 0.030 0.000 1.171 458 G CA 0.771 45.886 45.100 0.024 0.000 0.775 458 G HN 0.556 nan 8.290 nan 0.000 0.543 459 A N 0.072 122.904 122.820 0.021 0.000 1.877 459 A HA 0.054 4.348 4.320 -0.044 0.000 0.216 459 A C 2.615 180.181 177.584 -0.030 0.000 1.186 459 A CA 1.907 53.946 52.037 0.002 0.000 0.620 459 A CB -0.713 18.290 19.000 0.005 0.000 0.822 459 A HN 0.273 nan 8.150 nan 0.000 0.443 460 V N 0.113 120.004 119.914 -0.038 0.000 2.343 460 V HA -0.253 3.840 4.120 -0.044 0.000 0.247 460 V C 2.610 178.685 176.094 -0.032 0.000 1.051 460 V CA 2.481 64.701 62.300 -0.134 0.000 1.036 460 V CB -0.697 31.029 31.823 -0.161 0.000 0.654 460 V HN 0.775 nan 8.190 nan 0.000 0.451 461 E N 0.869 121.150 120.200 0.135 0.000 2.077 461 E HA -0.168 4.155 4.350 -0.044 0.000 0.193 461 E C 2.111 178.817 176.600 0.176 0.000 0.989 461 E CA 1.682 58.252 56.400 0.284 0.000 0.800 461 E CB -0.479 29.366 29.700 0.240 0.000 0.746 461 E HN 0.496 nan 8.360 nan 0.000 0.452 462 A N 0.982 123.849 122.820 0.078 0.000 1.902 462 A HA -0.063 4.231 4.320 -0.044 0.000 0.217 462 A C 2.487 180.079 177.584 0.012 0.000 1.181 462 A CA 2.183 54.246 52.037 0.042 0.000 0.623 462 A CB -1.185 17.826 19.000 0.017 0.000 0.818 462 A HN 0.418 nan 8.150 nan 0.000 0.443 463 A N -0.977 121.809 122.820 -0.057 0.000 1.883 463 A HA -0.115 4.178 4.320 -0.044 0.000 0.217 463 A C 2.038 179.529 177.584 -0.156 0.000 1.186 463 A CA 1.638 53.580 52.037 -0.159 0.000 0.624 463 A CB -0.914 17.908 19.000 -0.298 0.000 0.822 463 A HN 0.513 nan 8.150 nan 0.000 0.444 464 F N -0.152 119.749 119.950 -0.081 0.000 2.126 464 F HA -0.201 4.300 4.527 -0.044 0.000 0.299 464 F C 2.346 178.136 175.800 -0.016 0.000 1.096 464 F CA 1.813 59.777 58.000 -0.060 0.000 1.255 464 F CB -0.031 38.948 39.000 -0.036 0.000 0.997 464 F HN 0.166 nan 8.300 nan 0.000 0.479 465 K N 0.572 121.082 120.400 0.185 0.000 2.283 465 K HA -0.137 4.157 4.320 -0.044 0.000 0.202 465 K C 1.380 178.022 176.600 0.071 0.000 1.048 465 K CA 1.518 57.875 56.287 0.117 0.000 0.948 465 K CB -0.408 32.145 32.500 0.089 0.000 0.742 465 K HN 0.426 nan 8.250 nan 0.000 0.458 466 C N -2.738 116.588 119.300 0.044 0.000 3.255 466 C HA 0.452 4.885 4.460 -0.044 0.000 0.282 466 C C 0.383 175.376 174.990 0.005 0.000 1.441 466 C CA -0.943 58.087 59.018 0.020 0.000 1.785 466 C CB -1.813 25.931 27.740 0.007 0.000 2.583 466 C HN 0.379 nan 8.230 nan 0.000 0.615 467 C N 2.457 121.761 119.300 0.007 0.000 3.899 467 C HA 0.042 4.475 4.460 -0.044 0.000 0.297 467 C C 1.403 176.360 174.990 -0.055 0.000 1.371 467 C CA 0.502 59.508 59.018 -0.020 0.000 2.088 467 C CB -3.216 24.528 27.740 0.007 0.000 1.346 467 C HN 1.128 nan 8.230 nan 0.000 0.658 468 A N 0.433 123.202 122.820 -0.086 0.000 2.531 468 A HA 0.473 4.766 4.320 -0.044 0.000 0.236 468 A C 1.360 178.883 177.584 -0.102 0.000 1.062 468 A CA 0.843 52.828 52.037 -0.087 0.000 0.760 468 A CB 0.316 19.254 19.000 -0.104 0.000 0.995 468 A HN 1.818 nan 8.150 nan 0.000 0.501 469 A N 1.971 124.747 122.820 -0.073 0.000 1.968 469 A HA 0.440 4.733 4.320 -0.044 0.000 0.217 469 A C 1.191 178.711 177.584 -0.106 0.000 1.169 469 A CA 1.840 53.832 52.037 -0.074 0.000 0.638 469 A CB -0.342 18.636 19.000 -0.038 0.000 0.812 469 A HN 2.366 nan 8.150 nan 0.000 0.446 470 A N -1.523 121.238 122.820 -0.097 0.000 2.612 470 A HA 0.645 4.938 4.320 -0.044 0.000 0.293 470 A C -1.240 176.293 177.584 -0.085 0.000 1.075 470 A CA -0.550 51.425 52.037 -0.104 0.000 0.680 470 A CB 0.570 19.521 19.000 -0.081 0.000 1.279 470 A HN 0.235 nan 8.150 nan 0.000 0.411 471 I N 1.513 122.035 120.570 -0.079 0.000 2.362 471 I HA 0.399 4.542 4.170 -0.044 0.000 0.289 471 I C -0.758 175.345 176.117 -0.023 0.000 0.994 471 I CA -0.219 61.048 61.300 -0.055 0.000 1.158 471 I CB 1.443 39.404 38.000 -0.064 0.000 1.315 471 I HN 0.454 nan 8.210 nan 0.000 0.451 472 I N 7.217 127.780 120.570 -0.012 0.000 2.321 472 I HA 0.357 4.501 4.170 -0.044 0.000 0.291 472 I C -0.542 175.579 176.117 0.006 0.000 0.998 472 I CA -0.751 60.552 61.300 0.004 0.000 1.227 472 I CB 1.422 39.423 38.000 0.001 0.000 1.368 472 I HN 0.234 nan 8.210 nan 0.000 0.466 473 V N 6.235 126.159 119.914 0.017 0.000 2.540 473 V HA 0.420 4.513 4.120 -0.044 0.000 0.302 473 V C -0.255 175.850 176.094 0.018 0.000 1.035 473 V CA -0.964 61.347 62.300 0.018 0.000 0.873 473 V CB 1.599 33.435 31.823 0.022 0.000 0.992 473 V HN 0.336 nan 8.190 nan 0.000 0.428 474 L N 3.484 124.712 121.223 0.009 0.000 2.367 474 L HA 0.690 5.003 4.340 -0.044 0.000 0.275 474 L C 0.485 177.371 176.870 0.027 0.000 1.129 474 L CA 1.004 55.848 54.840 0.005 0.000 0.839 474 L CB 1.062 43.110 42.059 -0.019 0.000 1.133 474 L HN 1.002 nan 8.230 nan 0.000 0.453 475 T N 0.856 115.428 114.554 0.030 0.000 2.982 475 T HA 0.390 4.714 4.350 -0.044 0.000 0.321 475 T C 0.579 175.300 174.700 0.036 0.000 1.229 475 T CA -0.287 61.833 62.100 0.033 0.000 1.044 475 T CB 1.207 70.089 68.868 0.025 0.000 1.184 475 T HN 0.634 nan 8.240 nan 0.000 0.477 476 T N 1.780 116.354 114.554 0.034 0.000 3.033 476 T HA 0.102 4.425 4.350 -0.044 0.000 0.248 476 T C 1.770 176.484 174.700 0.023 0.000 1.040 476 T CA 1.223 63.343 62.100 0.034 0.000 1.133 476 T CB 0.026 68.915 68.868 0.035 0.000 0.895 476 T HN 0.825 nan 8.240 nan 0.000 0.465 477 T N -1.960 112.602 114.554 0.013 0.000 3.040 477 T HA 0.500 4.824 4.350 -0.044 0.000 0.266 477 T C 1.702 176.403 174.700 0.002 0.000 1.005 477 T CA 0.811 62.915 62.100 0.005 0.000 0.906 477 T CB 0.525 69.391 68.868 -0.005 0.000 1.082 477 T HN 0.427 nan 8.240 nan 0.000 0.531 478 G N 2.120 110.922 108.800 0.003 0.000 2.234 478 G HA2 -0.350 3.583 3.960 -0.044 0.000 0.235 478 G HA3 -0.350 3.583 3.960 -0.044 0.000 0.235 478 G C 0.986 175.883 174.900 -0.006 0.000 0.997 478 G CA 0.547 45.645 45.100 -0.004 0.000 0.623 478 G HN 0.616 nan 8.290 nan 0.000 0.514 479 R N 1.338 121.835 120.500 -0.005 0.000 2.103 479 R HA -0.113 4.200 4.340 -0.044 0.000 0.242 479 R C 2.838 179.139 176.300 0.002 0.000 1.142 479 R CA 2.674 58.770 56.100 -0.007 0.000 0.960 479 R CB -0.345 29.947 30.300 -0.013 0.000 0.858 479 R HN 0.619 nan 8.270 nan 0.000 0.439 480 S N -0.117 115.590 115.700 0.011 0.000 2.428 480 S HA 0.020 4.464 4.470 -0.044 0.000 0.230 480 S C 2.063 176.676 174.600 0.021 0.000 1.014 480 S CA 0.609 58.824 58.200 0.025 0.000 0.957 480 S CB 0.025 63.248 63.200 0.039 0.000 0.784 480 S HN 0.465 nan 8.310 nan 0.000 0.499 481 A N 1.996 124.821 122.820 0.009 0.000 1.902 481 A HA -0.160 4.133 4.320 -0.044 0.000 0.217 481 A C 2.306 179.882 177.584 -0.013 0.000 1.181 481 A CA 1.620 53.655 52.037 -0.003 0.000 0.623 481 A CB -0.896 18.096 19.000 -0.014 0.000 0.818 481 A HN 0.576 nan 8.150 nan 0.000 0.443 482 Q N -0.229 119.560 119.800 -0.017 0.000 2.061 482 Q HA -0.159 4.154 4.340 -0.044 0.000 0.204 482 Q C 1.966 177.949 176.000 -0.029 0.000 0.984 482 Q CA 1.791 57.577 55.803 -0.028 0.000 0.846 482 Q CB -0.310 28.411 28.738 -0.027 0.000 0.902 482 Q HN 0.667 nan 8.270 nan 0.000 0.421 483 L N 0.294 121.512 121.223 -0.007 0.000 2.079 483 L HA -0.228 4.085 4.340 -0.044 0.000 0.210 483 L C 2.453 179.356 176.870 0.055 0.000 1.081 483 L CA 0.846 55.691 54.840 0.009 0.000 0.752 483 L CB -0.474 41.618 42.059 0.055 0.000 0.896 483 L HN 0.340 nan 8.230 nan 0.000 0.433 484 L N -0.402 120.859 121.223 0.064 0.000 1.994 484 L HA -0.236 4.078 4.340 -0.044 0.000 0.208 484 L C 2.940 179.837 176.870 0.045 0.000 1.071 484 L CA 1.819 56.708 54.840 0.082 0.000 0.745 484 L CB -0.684 41.395 42.059 0.033 0.000 0.892 484 L HN 0.372 nan 8.230 nan 0.000 0.431 485 S N -0.275 115.418 115.700 -0.010 0.000 2.399 485 S HA -0.252 4.191 4.470 -0.044 0.000 0.231 485 S C 2.201 176.775 174.600 -0.044 0.000 1.022 485 S CA 0.857 59.039 58.200 -0.030 0.000 0.983 485 S CB -0.480 62.689 63.200 -0.051 0.000 0.803 485 S HN 0.286 nan 8.310 nan 0.000 0.480 486 R N 0.034 120.472 120.500 -0.103 0.000 2.178 486 R HA -0.184 4.130 4.340 -0.044 0.000 0.257 486 R C 1.122 177.246 176.300 -0.294 0.000 1.163 486 R CA 2.064 58.025 56.100 -0.232 0.000 0.981 486 R CB -0.553 29.521 30.300 -0.376 0.000 0.878 486 R HN 0.712 nan 8.270 nan 0.000 0.454 487 Y N 0.176 120.508 120.300 0.054 0.000 2.461 487 Y HA 0.191 4.713 4.550 -0.046 0.000 0.277 487 Y C 0.231 176.148 175.900 0.027 0.000 1.182 487 Y CA -0.510 57.645 58.100 0.090 0.000 1.276 487 Y CB 0.442 38.973 38.460 0.119 0.000 1.087 487 Y HN -0.107 nan 8.280 nan 0.000 0.519 488 R N -0.496 120.064 120.500 0.101 0.000 3.059 488 R HA -0.158 4.155 4.340 -0.044 0.000 0.251 488 R C -2.969 173.340 176.300 0.015 0.000 0.886 488 R CA -0.004 56.150 56.100 0.089 0.000 0.634 488 R CB -2.020 28.389 30.300 0.181 0.000 1.282 488 R HN 0.283 nan 8.270 nan 0.000 0.487 489 P HA 0.050 nan 4.420 nan 0.000 0.271 489 P C 0.816 177.853 177.300 -0.439 0.000 1.244 489 P CA -0.246 62.590 63.100 -0.440 0.000 0.793 489 P CB 0.554 32.036 31.700 -0.363 0.000 0.984 490 R N 1.046 121.099 120.500 -0.745 0.000 2.146 490 R HA 0.236 4.550 4.340 -0.044 0.000 0.206 490 R C 0.645 176.749 176.300 -0.326 0.000 1.049 490 R CA 0.298 56.086 56.100 -0.521 0.000 1.029 490 R CB -0.450 29.483 30.300 -0.611 0.000 0.949 490 R HN 0.504 nan 8.270 nan 0.000 0.471 491 A N 1.451 124.036 122.820 -0.391 0.000 2.520 491 A HA 0.422 4.715 4.320 -0.044 0.000 0.235 491 A C 0.054 177.526 177.584 -0.187 0.000 1.065 491 A CA 0.292 52.174 52.037 -0.259 0.000 0.764 491 A CB 0.070 18.912 19.000 -0.263 0.000 1.002 491 A HN 0.569 nan 8.150 nan 0.000 0.502 492 A N 1.621 124.346 122.820 -0.158 0.000 2.388 492 A HA 0.505 4.798 4.320 -0.044 0.000 0.257 492 A C 0.016 177.588 177.584 -0.020 0.000 1.095 492 A CA -0.311 51.687 52.037 -0.065 0.000 0.791 492 A CB 0.193 18.965 19.000 -0.380 0.000 1.029 492 A HN 1.130 nan 8.150 nan 0.000 0.489 493 V N 4.326 124.297 119.914 0.095 0.000 2.320 493 V HA 0.165 4.258 4.120 -0.044 0.000 0.265 493 V C -0.013 176.155 176.094 0.124 0.000 1.048 493 V CA 0.148 62.478 62.300 0.051 0.000 0.865 493 V CB 0.116 31.939 31.823 -0.000 0.000 1.043 493 V HN 0.647 nan 8.190 nan 0.000 0.474 494 I N 4.941 125.561 120.570 0.084 0.000 2.281 494 I HA 0.440 4.584 4.170 -0.044 0.000 0.293 494 I C 0.750 176.918 176.117 0.086 0.000 1.085 494 I CA 0.018 61.388 61.300 0.117 0.000 1.257 494 I CB 0.986 39.039 38.000 0.088 0.000 1.430 494 I HN 0.618 nan 8.210 nan 0.000 0.489 495 A N 7.134 130.008 122.820 0.089 0.000 2.260 495 A HA 0.621 4.915 4.320 -0.044 0.000 0.308 495 A C -0.322 177.320 177.584 0.096 0.000 1.254 495 A CA -0.408 51.667 52.037 0.063 0.000 0.874 495 A CB 0.640 19.656 19.000 0.027 0.000 1.153 495 A HN 0.458 nan 8.150 nan 0.000 0.527 496 V N 2.720 122.689 119.914 0.091 0.000 2.370 496 V HA 0.686 4.779 4.120 -0.044 0.000 0.279 496 V C 0.435 176.583 176.094 0.090 0.000 1.029 496 V CA -0.093 62.287 62.300 0.132 0.000 0.870 496 V CB 1.222 33.113 31.823 0.114 0.000 0.984 496 V HN 0.981 nan 8.190 nan 0.000 0.451 497 T N 4.049 118.682 114.554 0.131 0.000 2.894 497 T HA 0.401 4.725 4.350 -0.044 0.000 0.309 497 T C 0.601 175.383 174.700 0.136 0.000 1.208 497 T CA -0.595 61.565 62.100 0.100 0.000 1.016 497 T CB 1.860 70.774 68.868 0.076 0.000 1.192 497 T HN 0.640 nan 8.240 nan 0.000 0.491 498 R N 0.948 121.515 120.500 0.112 0.000 2.246 498 R HA 0.156 4.470 4.340 -0.044 0.000 0.199 498 R C 0.779 177.124 176.300 0.075 0.000 0.984 498 R CA 0.107 56.275 56.100 0.114 0.000 1.015 498 R CB 0.188 30.554 30.300 0.110 0.000 0.930 498 R HN 0.473 nan 8.270 nan 0.000 0.475 499 S N 0.658 116.397 115.700 0.066 0.000 2.405 499 S HA 0.244 4.688 4.470 -0.044 0.000 0.291 499 S C 1.191 175.826 174.600 0.059 0.000 1.137 499 S CA -0.300 57.931 58.200 0.050 0.000 1.061 499 S CB 1.253 64.477 63.200 0.040 0.000 1.001 499 S HN 0.323 nan 8.310 nan 0.000 0.507 500 A N 4.598 127.453 122.820 0.058 0.000 1.917 500 A HA -0.209 4.085 4.320 -0.044 0.000 0.219 500 A C 2.109 179.737 177.584 0.074 0.000 1.182 500 A CA 2.102 54.185 52.037 0.078 0.000 0.633 500 A CB -0.914 18.128 19.000 0.070 0.000 0.819 500 A HN 0.908 nan 8.150 nan 0.000 0.448 501 Q N -0.656 119.175 119.800 0.052 0.000 2.016 501 Q HA -0.049 4.265 4.340 -0.044 0.000 0.200 501 Q C 2.187 178.208 176.000 0.034 0.000 0.978 501 Q CA 1.861 57.689 55.803 0.042 0.000 0.833 501 Q CB -0.452 28.304 28.738 0.030 0.000 0.895 501 Q HN 0.557 nan 8.270 nan 0.000 0.427 502 A N 0.901 123.738 122.820 0.028 0.000 1.917 502 A HA -0.223 4.070 4.320 -0.044 0.000 0.219 502 A C 2.343 179.929 177.584 0.003 0.000 1.182 502 A CA 2.009 54.055 52.037 0.016 0.000 0.633 502 A CB -1.313 17.698 19.000 0.019 0.000 0.819 502 A HN 0.620 nan 8.150 nan 0.000 0.448 503 A N -0.442 122.391 122.820 0.022 0.000 1.940 503 A HA -0.209 4.084 4.320 -0.044 0.000 0.219 503 A C 2.273 179.820 177.584 -0.062 0.000 1.176 503 A CA 1.699 53.739 52.037 0.004 0.000 0.631 503 A CB -0.444 18.604 19.000 0.081 0.000 0.814 503 A HN 0.602 nan 8.150 nan 0.000 0.446 504 R N -0.939 119.569 120.500 0.012 0.000 2.075 504 R HA -0.068 4.246 4.340 -0.044 0.000 0.226 504 R C 2.375 178.702 176.300 0.044 0.000 1.114 504 R CA 1.443 57.581 56.100 0.064 0.000 0.972 504 R CB -0.316 30.044 30.300 0.100 0.000 0.869 504 R HN 0.669 nan 8.270 nan 0.000 0.437 505 Q N 0.251 120.060 119.800 0.016 0.000 2.291 505 Q HA -0.053 4.261 4.340 -0.044 0.000 0.205 505 Q C 1.981 177.979 176.000 -0.003 0.000 0.970 505 Q CA 0.745 56.561 55.803 0.021 0.000 0.876 505 Q CB 0.141 28.887 28.738 0.013 0.000 0.935 505 Q HN 0.111 nan 8.270 nan 0.000 0.455 506 V N 0.823 120.694 119.914 -0.071 0.000 2.720 506 V HA -0.225 3.868 4.120 -0.044 0.000 0.256 506 V C 1.712 177.731 176.094 -0.126 0.000 1.082 506 V CA 1.379 63.615 62.300 -0.107 0.000 1.101 506 V CB -0.602 31.141 31.823 -0.133 0.000 0.693 506 V HN 0.466 nan 8.190 nan 0.000 0.479 507 H N -1.074 117.973 119.070 -0.039 0.000 2.518 507 H HA -0.109 4.420 4.556 -0.045 0.000 0.292 507 H C 1.956 177.260 175.328 -0.041 0.000 1.068 507 H CA 1.053 57.067 56.048 -0.058 0.000 1.275 507 H CB 0.023 29.768 29.762 -0.028 0.000 1.375 507 H HN 0.283 nan 8.280 nan 0.000 0.563 508 L N -0.239 121.039 121.223 0.091 0.000 2.465 508 L HA -0.027 4.286 4.340 -0.044 0.000 0.224 508 L C 0.553 177.436 176.870 0.021 0.000 1.145 508 L CA 0.487 55.370 54.840 0.070 0.000 0.834 508 L CB -0.083 42.019 42.059 0.071 0.000 0.944 508 L HN 0.136 nan 8.230 nan 0.000 0.451 509 C N 0.426 119.716 119.300 -0.017 0.000 2.281 509 C HA 0.382 4.815 4.460 -0.044 0.000 0.323 509 C C 0.892 175.835 174.990 -0.078 0.000 1.270 509 C CA -1.382 57.609 59.018 -0.044 0.000 1.559 509 C CB 0.562 28.268 27.740 -0.056 0.000 2.239 509 C HN 0.313 nan 8.230 nan 0.000 0.488 510 R N 2.080 122.544 120.500 -0.059 0.000 2.523 510 R HA 0.305 4.619 4.340 -0.044 0.000 0.281 510 R C 1.301 177.527 176.300 -0.123 0.000 0.969 510 R CA 1.834 57.889 56.100 -0.075 0.000 1.093 510 R CB -0.033 30.252 30.300 -0.026 0.000 0.917 510 R HN 1.234 nan 8.270 nan 0.000 0.408 511 G N 2.297 110.965 108.800 -0.220 0.000 2.176 511 G HA2 -0.248 3.685 3.960 -0.044 0.000 0.253 511 G HA3 -0.248 3.685 3.960 -0.044 0.000 0.253 511 G C -0.250 174.424 174.900 -0.378 0.000 0.979 511 G CA 0.073 45.040 45.100 -0.222 0.000 0.641 511 G HN 0.540 nan 8.290 nan 0.000 0.530 512 V N 0.929 120.551 119.914 -0.487 0.000 2.407 512 V HA 0.691 4.784 4.120 -0.044 0.000 0.278 512 V C -0.177 175.507 176.094 -0.683 0.000 1.037 512 V CA -0.477 61.591 62.300 -0.387 0.000 0.900 512 V CB 1.066 32.764 31.823 -0.208 0.000 0.983 512 V HN 0.217 nan 8.190 nan 0.000 0.459 513 F N 6.617 126.529 119.950 -0.063 0.000 2.366 513 F HA 0.470 4.970 4.527 -0.046 0.000 0.366 513 F C -2.120 173.681 175.800 0.002 0.000 1.096 513 F CA -2.593 55.398 58.000 -0.014 0.000 1.060 513 F CB 1.617 40.592 39.000 -0.041 0.000 1.282 513 F HN 0.315 nan 8.300 nan 0.000 0.450 514 P HA 0.317 nan 4.420 nan 0.000 0.279 514 P C -0.952 176.445 177.300 0.161 0.000 1.239 514 P CA -0.234 62.892 63.100 0.043 0.000 0.789 514 P CB 1.845 33.482 31.700 -0.106 0.000 0.933 515 L N 3.014 124.360 121.223 0.205 0.000 2.381 515 L HA 0.394 4.708 4.340 -0.044 0.000 0.274 515 L C -0.011 177.084 176.870 0.374 0.000 0.988 515 L CA -1.257 53.770 54.840 0.311 0.000 0.824 515 L CB 1.944 44.178 42.059 0.292 0.000 1.263 515 L HN 0.234 nan 8.230 nan 0.000 0.410 516 L N 3.687 125.140 121.223 0.383 0.000 2.290 516 L HA 0.331 4.644 4.340 -0.044 0.000 0.284 516 L C -0.929 176.092 176.870 0.251 0.000 1.078 516 L CA 0.159 55.167 54.840 0.281 0.000 0.815 516 L CB 0.640 42.830 42.059 0.219 0.000 1.162 516 L HN 0.396 nan 8.230 nan 0.000 0.435 517 Y N 4.906 125.192 120.300 -0.023 0.000 2.331 517 Y HA 0.476 4.999 4.550 -0.044 0.000 0.338 517 Y C 0.759 176.518 175.900 -0.234 0.000 0.992 517 Y CA -0.305 57.613 58.100 -0.304 0.000 1.121 517 Y CB 1.186 39.491 38.460 -0.258 0.000 1.184 517 Y HN 0.760 nan 8.280 nan 0.000 0.469 518 R N 1.772 121.781 120.500 -0.818 0.000 2.316 518 R HA 0.122 4.436 4.340 -0.044 0.000 0.201 518 R C -0.237 175.744 176.300 -0.532 0.000 0.888 518 R CA -0.199 55.599 56.100 -0.503 0.000 1.041 518 R CB 0.361 30.444 30.300 -0.362 0.000 1.115 518 R HN 0.581 nan 8.270 nan 0.000 0.559 519 E N 2.845 122.522 120.200 -0.873 0.000 2.437 519 E HA 0.053 4.376 4.350 -0.044 0.000 0.263 519 E C -2.231 174.235 176.600 -0.224 0.000 1.030 519 E CA -1.499 54.600 56.400 -0.501 0.000 0.934 519 E CB -0.085 29.328 29.700 -0.478 0.000 0.943 519 E HN -0.003 nan 8.360 nan 0.000 0.444 520 P HA 0.201 nan 4.420 nan 0.000 0.275 520 P C -2.415 174.905 177.300 0.034 0.000 1.228 520 P CA -1.289 61.796 63.100 -0.026 0.000 0.786 520 P CB -0.345 31.338 31.700 -0.029 0.000 0.927 521 P HA -0.003 nan 4.420 nan 0.000 0.265 521 P C 0.058 177.397 177.300 0.065 0.000 1.187 521 P CA 0.475 63.627 63.100 0.087 0.000 0.766 521 P CB 0.334 32.088 31.700 0.089 0.000 0.820 522 E N 1.260 121.499 120.200 0.064 0.000 2.371 522 E HA 0.154 4.478 4.350 -0.044 0.000 0.257 522 E C 1.253 177.889 176.600 0.060 0.000 1.134 522 E CA -0.251 56.177 56.400 0.048 0.000 0.919 522 E CB 0.526 30.245 29.700 0.032 0.000 1.025 522 E HN 0.398 nan 8.360 nan 0.000 0.438 523 A N 2.041 124.890 122.820 0.048 0.000 1.855 523 A HA -0.081 4.212 4.320 -0.044 0.000 0.215 523 A C 1.273 178.903 177.584 0.076 0.000 1.191 523 A CA 0.861 52.930 52.037 0.053 0.000 0.613 523 A CB -0.419 18.602 19.000 0.036 0.000 0.829 523 A HN 0.568 nan 8.150 nan 0.000 0.442 524 I N -0.715 119.897 120.570 0.070 0.000 2.436 524 I HA -0.029 4.114 4.170 -0.044 0.000 0.289 524 I C 0.995 177.188 176.117 0.126 0.000 1.083 524 I CA -0.391 60.965 61.300 0.092 0.000 1.372 524 I CB 0.820 38.854 38.000 0.057 0.000 1.408 524 I HN 0.649 nan 8.210 nan 0.000 0.516 525 W N 6.551 127.845 121.300 -0.010 0.000 2.317 525 W HA -0.339 4.294 4.660 -0.044 0.000 0.318 525 W C 2.284 178.794 176.519 -0.015 0.000 1.227 525 W CA 2.250 59.584 57.345 -0.018 0.000 1.269 525 W CB -0.088 29.353 29.460 -0.031 0.000 1.155 525 W HN 0.629 nan 8.180 nan 0.000 0.484 526 A N 0.365 123.147 122.820 -0.062 0.000 1.927 526 A HA -0.315 3.979 4.320 -0.044 0.000 0.220 526 A C 1.779 179.218 177.584 -0.241 0.000 1.185 526 A CA 2.466 54.359 52.037 -0.241 0.000 0.639 526 A CB -1.207 17.767 19.000 -0.044 0.000 0.820 526 A HN 0.390 nan 8.150 nan 0.000 0.451 527 D N -0.519 119.807 120.400 -0.123 0.000 2.117 527 D HA -0.144 4.469 4.640 -0.044 0.000 0.197 527 D C 1.611 177.829 176.300 -0.136 0.000 0.987 527 D CA 1.671 55.614 54.000 -0.095 0.000 0.829 527 D CB -0.587 40.193 40.800 -0.033 0.000 0.961 527 D HN 0.575 nan 8.370 nan 0.000 0.460 528 D N -0.026 120.275 120.400 -0.164 0.000 2.104 528 D HA -0.132 4.481 4.640 -0.044 0.000 0.194 528 D C 2.093 178.217 176.300 -0.294 0.000 0.994 528 D CA 0.768 54.667 54.000 -0.169 0.000 0.830 528 D CB 0.105 40.837 40.800 -0.113 0.000 0.959 528 D HN -0.074 nan 8.370 nan 0.000 0.452 529 V N 0.769 120.393 119.914 -0.483 0.000 2.231 529 V HA -0.277 3.816 4.120 -0.044 0.000 0.248 529 V C 1.936 177.857 176.094 -0.288 0.000 1.054 529 V CA 2.190 64.202 62.300 -0.480 0.000 1.015 529 V CB -0.593 30.805 31.823 -0.707 0.000 0.638 529 V HN 0.252 nan 8.190 nan 0.000 0.444 530 D N -0.325 119.940 120.400 -0.225 0.000 2.104 530 D HA -0.150 4.463 4.640 -0.044 0.000 0.194 530 D C 2.389 178.637 176.300 -0.086 0.000 0.994 530 D CA 1.141 55.063 54.000 -0.130 0.000 0.830 530 D CB -0.363 40.381 40.800 -0.094 0.000 0.959 530 D HN 0.364 nan 8.370 nan 0.000 0.452 531 R N 0.572 121.025 120.500 -0.079 0.000 2.091 531 R HA -0.065 4.248 4.340 -0.044 0.000 0.238 531 R C 2.371 178.654 176.300 -0.027 0.000 1.136 531 R CA 0.812 56.909 56.100 -0.005 0.000 0.959 531 R CB -0.330 30.000 30.300 0.049 0.000 0.856 531 R HN 0.283 nan 8.270 nan 0.000 0.437 532 R N 0.291 120.647 120.500 -0.240 0.000 2.070 532 R HA -0.075 4.238 4.340 -0.044 0.000 0.233 532 R C 2.464 178.723 176.300 -0.067 0.000 1.137 532 R CA 1.394 57.274 56.100 -0.366 0.000 0.945 532 R CB -0.540 29.441 30.300 -0.531 0.000 0.845 532 R HN 0.019 nan 8.270 nan 0.000 0.430 533 V N 1.178 121.045 119.914 -0.078 0.000 2.252 533 V HA -0.301 3.792 4.120 -0.044 0.000 0.249 533 V C 2.310 178.412 176.094 0.014 0.000 1.056 533 V CA 1.880 64.162 62.300 -0.030 0.000 1.022 533 V CB -0.544 31.248 31.823 -0.052 0.000 0.641 533 V HN 0.265 nan 8.190 nan 0.000 0.445 534 Q N -0.835 118.980 119.800 0.025 0.000 2.077 534 Q HA -0.230 4.083 4.340 -0.044 0.000 0.206 534 Q C 1.937 178.003 176.000 0.109 0.000 0.989 534 Q CA 2.141 57.977 55.803 0.055 0.000 0.853 534 Q CB -0.785 27.988 28.738 0.058 0.000 0.907 534 Q HN 0.651 nan 8.270 nan 0.000 0.418 535 F N 0.034 120.000 119.950 0.027 0.000 2.091 535 F HA -0.199 4.302 4.527 -0.044 0.000 0.299 535 F C 1.958 177.798 175.800 0.067 0.000 1.103 535 F CA 2.046 60.098 58.000 0.087 0.000 1.228 535 F CB -0.867 38.249 39.000 0.194 0.000 0.984 535 F HN 0.136 nan 8.300 nan 0.000 0.477 536 G N 0.649 109.433 108.800 -0.027 0.000 2.446 536 G HA2 -0.267 3.666 3.960 -0.044 0.000 0.217 536 G HA3 -0.267 3.666 3.960 -0.044 0.000 0.217 536 G C 1.874 176.707 174.900 -0.111 0.000 1.168 536 G CA 1.279 46.316 45.100 -0.105 0.000 0.771 536 G HN 0.486 nan 8.290 nan 0.000 0.551 537 I N 0.222 120.757 120.570 -0.057 0.000 2.099 537 I HA -0.196 3.948 4.170 -0.044 0.000 0.239 537 I C 2.734 178.804 176.117 -0.078 0.000 1.066 537 I CA 1.665 62.938 61.300 -0.046 0.000 1.324 537 I CB -0.311 37.676 38.000 -0.021 0.000 1.037 537 I HN 0.273 nan 8.210 nan 0.000 0.401 538 E N 0.612 120.759 120.200 -0.088 0.000 2.033 538 E HA -0.237 4.086 4.350 -0.044 0.000 0.199 538 E C 2.255 178.751 176.600 -0.174 0.000 1.011 538 E CA 2.143 58.483 56.400 -0.100 0.000 0.815 538 E CB 0.034 29.702 29.700 -0.054 0.000 0.755 538 E HN 0.423 nan 8.360 nan 0.000 0.451 539 S N 0.148 115.662 115.700 -0.310 0.000 2.380 539 S HA -0.218 4.225 4.470 -0.044 0.000 0.229 539 S C 1.975 176.423 174.600 -0.253 0.000 1.043 539 S CA 1.070 59.073 58.200 -0.328 0.000 1.038 539 S CB -0.954 61.956 63.200 -0.484 0.000 0.872 539 S HN 0.521 nan 8.310 nan 0.000 0.456 540 G N 2.096 110.797 108.800 -0.165 0.000 2.545 540 G HA2 -0.285 3.649 3.960 -0.044 0.000 0.217 540 G HA3 -0.285 3.649 3.960 -0.044 0.000 0.217 540 G C 1.377 176.177 174.900 -0.166 0.000 1.218 540 G CA 1.305 46.355 45.100 -0.084 0.000 0.787 540 G HN 0.458 nan 8.290 nan 0.000 0.571 541 K N -0.320 120.010 120.400 -0.116 0.000 2.034 541 K HA -0.057 4.237 4.320 -0.044 0.000 0.214 541 K C 2.465 178.975 176.600 -0.150 0.000 1.051 541 K CA 1.353 57.578 56.287 -0.104 0.000 0.931 541 K CB -0.479 31.978 32.500 -0.071 0.000 0.715 541 K HN 0.233 nan 8.250 nan 0.000 0.446 542 L N 1.029 122.150 121.223 -0.169 0.000 2.042 542 L HA -0.221 4.092 4.340 -0.044 0.000 0.210 542 L C 1.698 178.426 176.870 -0.236 0.000 1.076 542 L CA 1.715 56.455 54.840 -0.167 0.000 0.749 542 L CB -0.151 41.822 42.059 -0.143 0.000 0.893 542 L HN 0.269 nan 8.230 nan 0.000 0.432 543 R N -0.456 119.800 120.500 -0.407 0.000 2.334 543 R HA 0.155 4.468 4.340 -0.044 0.000 0.220 543 R C 1.019 176.994 176.300 -0.541 0.000 0.917 543 R CA 0.564 56.327 56.100 -0.562 0.000 1.073 543 R CB -0.083 29.640 30.300 -0.962 0.000 1.056 543 R HN 0.462 nan 8.270 nan 0.000 0.506 544 G N 1.353 109.949 108.800 -0.340 0.000 2.273 544 G HA2 -0.280 3.653 3.960 -0.044 0.000 0.280 544 G HA3 -0.280 3.653 3.960 -0.044 0.000 0.280 544 G C 0.353 175.220 174.900 -0.055 0.000 1.047 544 G CA 0.084 45.082 45.100 -0.170 0.000 0.869 544 G HN 0.491 nan 8.290 nan 0.000 0.502 545 F N -0.801 119.073 119.950 -0.127 0.000 2.473 545 F HA 0.338 4.838 4.527 -0.044 0.000 0.294 545 F C 1.393 177.122 175.800 -0.118 0.000 1.103 545 F CA 0.147 58.052 58.000 -0.159 0.000 1.442 545 F CB 0.195 39.064 39.000 -0.217 0.000 1.097 545 F HN 0.137 nan 8.300 nan 0.000 0.547 546 L N 0.089 121.359 121.223 0.079 0.000 2.455 546 L HA 0.612 4.926 4.340 -0.044 0.000 0.264 546 L C -0.726 176.141 176.870 -0.005 0.000 0.968 546 L CA -1.112 53.743 54.840 0.026 0.000 0.827 546 L CB 1.831 43.900 42.059 0.018 0.000 1.317 546 L HN -0.256 nan 8.230 nan 0.000 0.407 547 R N 0.920 121.417 120.500 -0.006 0.000 2.778 547 R HA 0.615 4.929 4.340 -0.044 0.000 0.277 547 R C -0.707 175.586 176.300 -0.011 0.000 0.977 547 R CA -1.075 55.018 56.100 -0.012 0.000 0.950 547 R CB 2.519 32.814 30.300 -0.008 0.000 1.165 547 R HN 0.446 nan 8.270 nan 0.000 0.474 548 V N 1.248 121.155 119.914 -0.012 0.000 2.872 548 V HA 0.044 4.137 4.120 -0.044 0.000 0.302 548 V C 1.709 177.799 176.094 -0.007 0.000 1.166 548 V CA 1.401 63.696 62.300 -0.009 0.000 1.298 548 V CB 0.029 31.847 31.823 -0.008 0.000 0.894 548 V HN 1.076 nan 8.190 nan 0.000 0.509 549 G N 2.520 111.316 108.800 -0.006 0.000 2.267 549 G HA2 -0.244 3.689 3.960 -0.044 0.000 0.257 549 G HA3 -0.244 3.689 3.960 -0.044 0.000 0.257 549 G C -0.044 174.853 174.900 -0.005 0.000 0.998 549 G CA 0.298 45.395 45.100 -0.004 0.000 0.620 549 G HN 0.808 nan 8.290 nan 0.000 0.529 550 D N 0.437 120.833 120.400 -0.007 0.000 2.378 550 D HA 0.477 5.091 4.640 -0.044 0.000 0.238 550 D C 1.080 177.373 176.300 -0.011 0.000 1.180 550 D CA 0.140 54.134 54.000 -0.010 0.000 0.895 550 D CB 0.579 41.372 40.800 -0.012 0.000 1.192 550 D HN 0.359 nan 8.370 nan 0.000 0.438 551 L N 0.812 122.026 121.223 -0.015 0.000 2.360 551 L HA 0.594 4.907 4.340 -0.044 0.000 0.271 551 L C -0.171 176.684 176.870 -0.025 0.000 1.057 551 L CA -0.820 54.010 54.840 -0.016 0.000 0.803 551 L CB 1.635 43.685 42.059 -0.014 0.000 1.207 551 L HN 0.046 nan 8.230 nan 0.000 0.445 552 V N 3.176 123.076 119.914 -0.023 0.000 2.925 552 V HA 0.490 4.584 4.120 -0.044 0.000 0.311 552 V C -0.812 175.265 176.094 -0.028 0.000 1.104 552 V CA -0.621 61.661 62.300 -0.030 0.000 0.954 552 V CB 2.772 34.581 31.823 -0.023 0.000 1.022 552 V HN 0.381 nan 8.190 nan 0.000 0.427 553 I N 5.255 125.803 120.570 -0.036 0.000 2.354 553 I HA 0.465 4.608 4.170 -0.044 0.000 0.292 553 I C -0.226 175.878 176.117 -0.020 0.000 0.989 553 I CA -0.522 60.761 61.300 -0.028 0.000 1.188 553 I CB 1.489 39.465 38.000 -0.040 0.000 1.342 553 I HN 0.200 nan 8.210 nan 0.000 0.457 554 V N 7.166 127.074 119.914 -0.011 0.000 2.384 554 V HA 0.419 4.512 4.120 -0.044 0.000 0.287 554 V C 0.081 176.177 176.094 0.003 0.000 1.020 554 V CA -0.723 61.572 62.300 -0.007 0.000 0.850 554 V CB 2.236 34.052 31.823 -0.012 0.000 0.987 554 V HN 0.430 nan 8.190 nan 0.000 0.436 555 V N 5.221 125.140 119.914 0.008 0.000 2.384 555 V HA 0.697 4.791 4.120 -0.044 0.000 0.287 555 V C 0.449 176.562 176.094 0.030 0.000 1.020 555 V CA -0.003 62.312 62.300 0.026 0.000 0.850 555 V CB 1.630 33.472 31.823 0.031 0.000 0.987 555 V HN 1.110 nan 8.190 nan 0.000 0.436 556 T N 1.914 116.497 114.554 0.047 0.000 2.573 556 T HA 0.911 5.234 4.350 -0.044 0.000 0.259 556 T C -0.010 174.765 174.700 0.124 0.000 0.886 556 T CA -0.291 61.842 62.100 0.056 0.000 1.110 556 T CB 1.864 70.735 68.868 0.006 0.000 1.421 556 T HN 0.916 nan 8.240 nan 0.000 0.523 557 G N -1.071 107.834 108.800 0.174 0.000 2.694 557 G HA2 0.485 4.418 3.960 -0.044 0.000 0.290 557 G HA3 0.485 4.418 3.960 -0.044 0.000 0.290 557 G C 0.122 175.253 174.900 0.386 0.000 1.386 557 G CA -0.473 44.786 45.100 0.266 0.000 0.872 557 G HN 0.933 nan 8.290 nan 0.000 0.475 558 W N 0.326 121.767 121.300 0.236 0.000 2.658 558 W HA 0.246 4.879 4.660 -0.045 0.000 0.263 558 W C 0.259 176.856 176.519 0.130 0.000 1.274 558 W CA 0.320 57.783 57.345 0.197 0.000 1.343 558 W CB -0.260 29.253 29.460 0.088 0.000 1.106 558 W HN 0.553 nan 8.180 nan 0.000 0.615 559 R N -0.630 119.505 120.500 -0.608 0.000 2.734 559 R HA 0.612 4.925 4.340 -0.044 0.000 0.271 559 R C -3.272 172.464 176.300 -0.940 0.000 1.021 559 R CA -1.918 53.503 56.100 -1.132 0.000 0.893 559 R CB 0.010 29.433 30.300 -1.461 0.000 1.244 559 R HN -0.380 nan 8.270 nan 0.000 0.464 560 P HA 0.467 nan 4.420 nan 0.000 0.274 560 P C -0.292 176.833 177.300 -0.292 0.000 1.256 560 P CA 0.552 63.326 63.100 -0.543 0.000 0.795 560 P CB 0.608 31.877 31.700 -0.717 0.000 1.038 561 G N -0.437 108.319 108.800 -0.074 0.000 2.730 561 G HA2 0.080 4.014 3.960 -0.044 0.000 0.686 561 G HA3 0.080 4.014 3.960 -0.044 0.000 0.686 561 G C -0.179 174.780 174.900 0.098 0.000 1.343 561 G CA -0.231 44.877 45.100 0.012 0.000 0.826 561 G HN 0.750 nan 8.290 nan 0.000 0.582 562 S N -0.250 115.486 115.700 0.060 0.000 2.652 562 S HA 0.753 5.196 4.470 -0.044 0.000 0.270 562 S C 1.622 176.162 174.600 -0.101 0.000 1.243 562 S CA 1.039 59.248 58.200 0.015 0.000 0.999 562 S CB 1.517 64.708 63.200 -0.014 0.000 0.973 562 S HN 2.931 nan 8.310 nan 0.000 0.544 563 G N 0.419 109.126 108.800 -0.154 0.000 2.175 563 G HA2 -0.227 3.706 3.960 -0.044 0.000 0.244 563 G HA3 -0.227 3.706 3.960 -0.044 0.000 0.244 563 G C 0.047 174.679 174.900 -0.447 0.000 0.982 563 G CA 0.497 45.391 45.100 -0.343 0.000 0.641 563 G HN 0.848 nan 8.290 nan 0.000 0.527 564 Y N 1.152 121.444 120.300 -0.013 0.000 2.682 564 Y HA 0.385 4.908 4.550 -0.044 0.000 0.251 564 Y C 1.444 177.401 175.900 0.095 0.000 1.172 564 Y CA -0.018 58.090 58.100 0.013 0.000 1.186 564 Y CB 0.507 38.797 38.460 -0.283 0.000 1.216 564 Y HN 0.136 nan 8.280 nan 0.000 0.540 565 T N 3.395 118.058 114.554 0.182 0.000 2.934 565 T HA -0.038 4.285 4.350 -0.044 0.000 0.306 565 T C 0.924 175.753 174.700 0.214 0.000 1.042 565 T CA 0.728 62.934 62.100 0.175 0.000 1.145 565 T CB 0.069 69.004 68.868 0.111 0.000 0.982 565 T HN 0.662 nan 8.240 nan 0.000 0.544 566 N N 2.026 120.861 118.700 0.226 0.000 1.975 566 N HA 0.036 4.750 4.740 -0.044 0.000 0.220 566 N C -0.797 174.809 175.510 0.159 0.000 1.413 566 N CA -0.189 52.987 53.050 0.209 0.000 0.722 566 N CB -0.102 38.559 38.487 0.291 0.000 1.151 566 N HN 0.510 nan 8.380 nan 0.000 0.557 567 I N 1.304 121.958 120.570 0.140 0.000 2.608 567 I HA 0.511 4.654 4.170 -0.044 0.000 0.295 567 I C -0.635 175.524 176.117 0.070 0.000 1.049 567 I CA -0.664 60.698 61.300 0.103 0.000 1.063 567 I CB 2.332 40.399 38.000 0.112 0.000 1.248 567 I HN -0.006 nan 8.210 nan 0.000 0.424 568 M N 5.906 125.537 119.600 0.051 0.000 2.327 568 M HA 0.571 5.024 4.480 -0.044 0.000 0.298 568 M C -1.733 174.581 176.300 0.024 0.000 1.065 568 M CA -0.378 54.943 55.300 0.034 0.000 0.916 568 M CB 2.393 35.012 32.600 0.032 0.000 1.630 568 M HN 0.657 nan 8.290 nan 0.000 0.442 569 R N 2.603 123.112 120.500 0.014 0.000 2.673 569 R HA 0.684 4.998 4.340 -0.044 0.000 0.281 569 R C -1.469 174.832 176.300 0.001 0.000 0.991 569 R CA -0.899 55.206 56.100 0.008 0.000 0.896 569 R CB 2.805 33.108 30.300 0.005 0.000 1.201 569 R HN 0.504 nan 8.270 nan 0.000 0.457 570 V N 4.892 124.807 119.914 0.001 0.000 2.370 570 V HA 0.435 4.528 4.120 -0.044 0.000 0.279 570 V C -0.173 175.919 176.094 -0.004 0.000 1.029 570 V CA -0.457 61.842 62.300 -0.003 0.000 0.870 570 V CB 1.155 32.978 31.823 0.000 0.000 0.984 570 V HN 0.492 nan 8.190 nan 0.000 0.451 571 L N 4.194 125.413 121.223 -0.008 0.000 2.370 571 L HA 0.690 5.003 4.340 -0.044 0.000 0.266 571 L C 0.132 176.996 176.870 -0.009 0.000 1.002 571 L CA -0.540 54.296 54.840 -0.008 0.000 0.818 571 L CB 2.580 44.633 42.059 -0.010 0.000 1.325 571 L HN 0.688 nan 8.230 nan 0.000 0.418 572 S N 1.381 117.076 115.700 -0.007 0.000 2.525 572 S HA 0.673 5.117 4.470 -0.044 0.000 0.290 572 S C -0.251 174.344 174.600 -0.007 0.000 1.152 572 S CA -0.838 57.358 58.200 -0.007 0.000 1.072 572 S CB 1.656 64.853 63.200 -0.004 0.000 1.027 572 S HN 0.312 nan 8.310 nan 0.000 0.500 573 I N 0.000 120.565 120.570 -0.008 0.000 2.984 573 I HA 0.000 4.143 4.170 -0.044 0.000 0.288 573 I CA 0.000 61.295 61.300 -0.009 0.000 1.566 573 I CB 0.000 37.994 38.000 -0.011 0.000 1.214 573 I HN 0.000 nan 8.210 nan 0.000 0.494