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 3ooc_1_A DATA FIRST_RESID 89 DATA SEQUENCE TQNLGVKTAT VTRGPLTFAQ SFPANVSYNE YQYAIVQARA AGFIDKVYPL DATA SEQUENCE TVGDKVQKGT PLLDLTIPDW VEAQSEYLLL RETGGTATQT EGILERLRLA DATA SEQUENCE GMPEADIRRL IATQKIQTRF TLKAPIDGVI TAFDLRAGMN IAKDNVVAKI DATA SEQUENCE QGMDPVWVTA AIPESIAWLV KDASQFTLTV PARPDKTLTI RKWTLLPGVD DATA SEQUENCE AATRTLQLRL EVDNADEALK PGMNAWLQLN TASEPMLLIP SQALIDTGSE DATA SEQUENCE QRVITVDADG RFVPKRVAVF QASQGVTALR SGLAEGEKVV SSGLFLI 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 89 T HA 0.000 nan 4.350 nan 0.000 0.228 89 T C 0.000 174.657 174.700 -0.071 0.000 1.109 89 T CA 0.000 61.988 62.100 -0.187 0.000 1.349 89 T CB 0.000 68.720 68.868 -0.247 0.000 0.612 90 Q N 1.466 121.305 119.800 0.065 0.000 3.449 90 Q HA 0.338 4.678 4.340 -0.000 0.000 0.272 90 Q C -1.168 174.895 176.000 0.104 0.000 0.787 90 Q CA -0.382 55.452 55.803 0.052 0.000 0.904 90 Q CB 0.859 29.622 28.738 0.041 0.000 1.536 90 Q HN 0.615 nan 8.270 nan 0.000 0.387 91 N N 0.889 119.671 118.700 0.136 0.000 2.369 91 N HA 0.336 5.076 4.740 -0.000 0.000 0.287 91 N C -2.010 173.574 175.510 0.122 0.000 1.067 91 N CA -0.553 52.582 53.050 0.141 0.000 0.888 91 N CB 1.709 40.316 38.487 0.202 0.000 1.616 91 N HN 0.221 nan 8.380 nan 0.000 0.482 92 L N 3.006 124.280 121.223 0.085 0.000 2.295 92 L HA 0.764 5.104 4.340 -0.000 0.000 0.285 92 L C 0.520 177.428 176.870 0.062 0.000 1.035 92 L CA 0.273 55.156 54.840 0.070 0.000 0.806 92 L CB 0.683 42.770 42.059 0.047 0.000 1.214 92 L HN 0.969 nan 8.230 nan 0.000 0.426 93 G N 3.834 112.670 108.800 0.059 0.000 3.268 93 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.220 93 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.220 93 G C -0.650 174.277 174.900 0.045 0.000 0.942 93 G CA -0.166 44.961 45.100 0.046 0.000 0.918 93 G HN 0.440 nan 8.290 nan 0.000 0.658 94 V N 1.257 121.204 119.914 0.055 0.000 2.539 94 V HA 0.593 4.713 4.120 -0.000 0.000 0.292 94 V C 0.659 176.774 176.094 0.035 0.000 1.045 94 V CA -0.476 61.851 62.300 0.046 0.000 0.945 94 V CB 1.750 33.609 31.823 0.060 0.000 0.993 94 V HN 0.343 nan 8.190 nan 0.000 0.464 95 K N 1.676 122.089 120.400 0.022 0.000 2.240 95 K HA 0.733 5.053 4.320 -0.000 0.000 0.237 95 K C -0.470 176.141 176.600 0.018 0.000 1.027 95 K CA -0.384 55.914 56.287 0.019 0.000 0.937 95 K CB 1.812 34.319 32.500 0.011 0.000 1.171 95 K HN 0.790 nan 8.250 nan 0.000 0.479 96 T N -0.813 113.752 114.554 0.017 0.000 2.840 96 T HA 0.671 5.021 4.350 -0.000 0.000 0.317 96 T C -2.160 172.548 174.700 0.014 0.000 1.401 96 T CA -0.440 61.671 62.100 0.018 0.000 1.028 96 T CB 1.439 70.326 68.868 0.032 0.000 1.317 96 T HN 0.732 nan 8.240 nan 0.000 0.495 97 A N 1.414 124.242 122.820 0.013 0.000 2.594 97 A HA 0.853 5.173 4.320 -0.000 0.000 0.291 97 A C -0.445 177.145 177.584 0.011 0.000 1.105 97 A CA -0.562 51.481 52.037 0.009 0.000 0.694 97 A CB 1.872 20.875 19.000 0.005 0.000 1.291 97 A HN 0.915 nan 8.150 nan 0.000 0.410 98 T N 0.092 114.651 114.554 0.009 0.000 2.856 98 T HA 0.537 4.886 4.350 -0.000 0.000 0.283 98 T C -0.418 174.285 174.700 0.006 0.000 1.008 98 T CA -0.366 61.740 62.100 0.010 0.000 0.997 98 T CB 0.783 69.656 68.868 0.009 0.000 0.992 98 T HN 0.960 nan 8.240 nan 0.000 0.454 99 V N 5.564 125.483 119.914 0.008 0.000 2.557 99 V HA 0.307 4.427 4.120 -0.000 0.000 0.301 99 V C 0.756 176.850 176.094 -0.000 0.000 1.026 99 V CA 0.235 62.538 62.300 0.005 0.000 1.137 99 V CB 0.131 31.959 31.823 0.009 0.000 0.917 99 V HN 1.084 nan 8.190 nan 0.000 0.484 100 T N 3.150 117.701 114.554 -0.005 0.000 2.937 100 T HA 0.483 4.833 4.350 -0.000 0.000 0.297 100 T C -0.438 174.252 174.700 -0.017 0.000 0.991 100 T CA -0.903 61.191 62.100 -0.010 0.000 0.990 100 T CB 1.195 70.056 68.868 -0.012 0.000 0.991 100 T HN 0.662 nan 8.240 nan 0.000 0.440 101 R N 1.634 122.123 120.500 -0.017 0.000 2.640 101 R HA 0.533 4.873 4.340 -0.000 0.000 0.270 101 R C 0.438 176.719 176.300 -0.032 0.000 1.024 101 R CA 0.995 57.080 56.100 -0.024 0.000 1.085 101 R CB -0.234 30.053 30.300 -0.021 0.000 0.963 101 R HN 1.135 nan 8.270 nan 0.000 0.426 102 G N 3.563 112.337 108.800 -0.043 0.000 2.316 102 G HA2 0.254 4.213 3.960 -0.000 0.000 0.296 102 G HA3 0.254 4.213 3.960 -0.000 0.000 0.296 102 G C -3.224 171.633 174.900 -0.073 0.000 1.399 102 G CA -1.098 43.970 45.100 -0.052 0.000 0.833 102 G HN 0.491 nan 8.290 nan 0.000 0.565 103 P HA 0.659 nan 4.420 nan 0.000 0.285 103 P C -0.375 176.817 177.300 -0.180 0.000 1.269 103 P CA -0.721 62.305 63.100 -0.123 0.000 0.844 103 P CB 1.308 32.941 31.700 -0.112 0.000 1.094 104 L N 0.711 121.766 121.223 -0.279 0.000 2.379 104 L HA 0.511 4.851 4.340 -0.000 0.000 0.269 104 L C 0.518 177.004 176.870 -0.641 0.000 1.084 104 L CA -0.313 54.265 54.840 -0.436 0.000 0.802 104 L CB 0.969 42.716 42.059 -0.520 0.000 1.175 104 L HN 0.395 nan 8.230 nan 0.000 0.448 105 T N -1.225 113.002 114.554 -0.544 0.000 2.772 105 T HA 0.537 4.887 4.350 -0.000 0.000 0.288 105 T C -0.629 173.831 174.700 -0.401 0.000 0.994 105 T CA -0.495 61.345 62.100 -0.432 0.000 0.951 105 T CB 0.215 68.963 68.868 -0.200 0.000 0.933 105 T HN 0.087 nan 8.240 nan 0.000 0.447 106 F N 2.298 122.239 119.950 -0.016 0.000 2.334 106 F HA 0.622 5.149 4.527 -0.000 0.000 0.367 106 F C 0.820 176.619 175.800 -0.002 0.000 1.115 106 F CA -1.398 56.596 58.000 -0.010 0.000 1.116 106 F CB 0.453 39.448 39.000 -0.009 0.000 1.230 106 F HN 0.831 nan 8.300 nan 0.000 0.484 107 A N 3.796 126.708 122.820 0.152 0.000 2.354 107 A HA 0.629 4.949 4.320 -0.000 0.000 0.269 107 A C -0.146 177.487 177.584 0.081 0.000 1.109 107 A CA -0.197 51.899 52.037 0.097 0.000 0.800 107 A CB 0.784 19.815 19.000 0.051 0.000 1.045 107 A HN 0.817 nan 8.150 nan 0.000 0.489 108 Q N -0.054 119.799 119.800 0.089 0.000 3.146 108 Q HA 0.759 5.099 4.340 -0.000 0.000 0.318 108 Q C -1.155 174.819 176.000 -0.042 0.000 0.992 108 Q CA -0.673 55.131 55.803 0.002 0.000 0.809 108 Q CB 2.307 31.111 28.738 0.109 0.000 1.490 108 Q HN 0.751 nan 8.270 nan 0.000 0.493 109 S N -0.084 115.426 115.700 -0.317 0.000 2.590 109 S HA 0.551 5.021 4.470 -0.000 0.000 0.286 109 S C -1.972 172.408 174.600 -0.367 0.000 1.147 109 S CA -0.507 57.586 58.200 -0.178 0.000 0.963 109 S CB 0.243 63.313 63.200 -0.215 0.000 1.124 109 S HN 0.424 nan 8.310 nan 0.000 0.458 110 F N 3.386 123.438 119.950 0.169 0.000 2.593 110 F HA 0.644 5.171 4.527 -0.000 0.000 0.320 110 F C -2.388 173.613 175.800 0.335 0.000 1.060 110 F CA -2.376 55.747 58.000 0.205 0.000 0.940 110 F CB 1.815 40.853 39.000 0.064 0.000 1.268 110 F HN 0.258 nan 8.300 nan 0.000 0.475 111 P HA 0.379 nan 4.420 nan 0.000 0.293 111 P C -1.381 175.862 177.300 -0.095 0.000 1.313 111 P CA -0.344 62.715 63.100 -0.068 0.000 0.787 111 P CB 1.246 32.892 31.700 -0.090 0.000 0.910 112 A N 3.803 126.506 122.820 -0.195 0.000 2.303 112 A HA 0.466 4.786 4.320 -0.000 0.000 0.320 112 A C -0.231 177.253 177.584 -0.167 0.000 1.192 112 A CA -0.723 51.231 52.037 -0.138 0.000 0.821 112 A CB 0.154 19.092 19.000 -0.103 0.000 1.188 112 A HN 0.506 nan 8.150 nan 0.000 0.492 113 N N 0.815 119.446 118.700 -0.115 0.000 2.472 113 N HA 0.413 5.153 4.740 -0.000 0.000 0.277 113 N C -0.305 175.167 175.510 -0.064 0.000 1.081 113 N CA -0.344 52.648 53.050 -0.098 0.000 0.973 113 N CB 1.476 39.923 38.487 -0.067 0.000 1.105 113 N HN 0.425 nan 8.380 nan 0.000 0.470 114 V N 1.357 121.226 119.914 -0.074 0.000 2.881 114 V HA 0.381 4.501 4.120 -0.000 0.000 0.303 114 V C 0.387 176.453 176.094 -0.046 0.000 1.070 114 V CA 0.230 62.500 62.300 -0.050 0.000 1.074 114 V CB 1.370 33.142 31.823 -0.084 0.000 1.012 114 V HN 0.687 nan 8.190 nan 0.000 0.482 115 S N 2.061 117.759 115.700 -0.003 0.000 2.547 115 S HA 0.530 5.000 4.470 -0.000 0.000 0.270 115 S C -1.396 173.189 174.600 -0.025 0.000 1.150 115 S CA -0.634 57.567 58.200 0.002 0.000 0.850 115 S CB 1.050 64.348 63.200 0.163 0.000 1.118 115 S HN 0.494 nan 8.310 nan 0.000 0.461 116 Y N 3.087 123.350 120.300 -0.062 0.000 2.359 116 Y HA 0.234 4.784 4.550 -0.000 0.000 0.330 116 Y C 1.013 176.608 175.900 -0.507 0.000 1.143 116 Y CA -0.674 57.298 58.100 -0.214 0.000 1.318 116 Y CB 0.775 39.131 38.460 -0.172 0.000 1.234 116 Y HN 0.651 nan 8.280 nan 0.000 0.522 117 N N 2.373 120.639 118.700 -0.723 0.000 2.497 117 N HA -0.010 4.730 4.740 -0.000 0.000 0.271 117 N C 0.018 174.926 175.510 -1.003 0.000 1.142 117 N CA -0.241 51.767 53.050 -1.737 0.000 0.965 117 N CB 1.063 38.448 38.487 -1.837 0.000 1.077 117 N HN 0.618 nan 8.380 nan 0.000 0.462 118 E N 1.071 120.592 120.200 -1.131 0.000 2.333 118 E HA -0.120 4.230 4.350 -0.000 0.000 0.198 118 E C 0.372 176.540 176.600 -0.720 0.000 1.007 118 E CA 1.186 57.107 56.400 -0.799 0.000 0.845 118 E CB -0.292 28.960 29.700 -0.747 0.000 0.766 118 E HN 0.722 nan 8.360 nan 0.000 0.507 119 Y N -1.371 118.791 120.300 -0.231 0.000 2.479 119 Y HA 0.102 4.652 4.550 -0.000 0.000 0.283 119 Y C 1.661 177.629 175.900 0.113 0.000 1.109 119 Y CA -0.036 58.063 58.100 -0.003 0.000 1.239 119 Y CB 0.206 38.691 38.460 0.042 0.000 1.108 119 Y HN -0.083 nan 8.280 nan 0.000 0.548 120 Q N 1.400 121.258 119.800 0.097 0.000 2.292 120 Q HA 0.073 4.413 4.340 -0.000 0.000 0.235 120 Q C -0.496 175.536 176.000 0.053 0.000 0.910 120 Q CA -0.196 55.638 55.803 0.050 0.000 0.952 120 Q CB -0.923 27.789 28.738 -0.044 0.000 1.089 120 Q HN 0.596 nan 8.270 nan 0.000 0.431 121 Y N -2.759 117.467 120.300 -0.122 0.000 2.679 121 Y HA 0.863 5.412 4.550 -0.000 0.000 0.331 121 Y C -0.766 175.074 175.900 -0.100 0.000 1.183 121 Y CA -1.408 56.607 58.100 -0.143 0.000 1.290 121 Y CB 1.026 39.394 38.460 -0.152 0.000 1.489 121 Y HN -0.094 nan 8.280 nan 0.000 0.583 122 A N 1.872 124.389 122.820 -0.504 0.000 2.541 122 A HA 0.480 4.800 4.320 -0.000 0.000 0.285 122 A C -1.608 175.772 177.584 -0.340 0.000 1.058 122 A CA -0.601 51.125 52.037 -0.519 0.000 0.886 122 A CB -0.342 18.489 19.000 -0.281 0.000 1.411 122 A HN 0.794 nan 8.150 nan 0.000 0.403 123 I N 0.363 120.712 120.570 -0.368 0.000 2.371 123 I HA 0.570 4.740 4.170 -0.000 0.000 0.290 123 I C -0.013 176.043 176.117 -0.103 0.000 1.028 123 I CA -0.396 60.828 61.300 -0.126 0.000 1.345 123 I CB 1.336 39.330 38.000 -0.011 0.000 1.407 123 I HN 0.116 nan 8.210 nan 0.000 0.501 124 V N 7.239 127.116 119.914 -0.062 0.000 2.125 124 V HA 0.174 4.294 4.120 -0.000 0.000 0.263 124 V C 0.488 176.569 176.094 -0.021 0.000 1.365 124 V CA -0.427 61.843 62.300 -0.050 0.000 1.276 124 V CB -1.004 30.790 31.823 -0.048 0.000 1.350 124 V HN 0.903 nan 8.190 nan 0.000 0.487 125 Q N 2.028 121.812 119.800 -0.027 0.000 2.260 125 Q HA 0.767 5.106 4.340 -0.000 0.000 0.242 125 Q C -0.235 175.749 176.000 -0.028 0.000 0.932 125 Q CA -0.603 55.189 55.803 -0.019 0.000 0.891 125 Q CB 1.870 30.599 28.738 -0.014 0.000 1.222 125 Q HN 0.485 nan 8.270 nan 0.000 0.453 126 A N 2.213 125.011 122.820 -0.036 0.000 2.303 126 A HA 0.558 4.878 4.320 -0.000 0.000 0.320 126 A C -0.814 176.735 177.584 -0.058 0.000 1.192 126 A CA -0.923 51.080 52.037 -0.057 0.000 0.821 126 A CB 0.748 19.701 19.000 -0.079 0.000 1.188 126 A HN 0.650 nan 8.150 nan 0.000 0.492 127 R N 1.513 121.989 120.500 -0.039 0.000 2.490 127 R HA 0.624 4.964 4.340 -0.000 0.000 0.280 127 R C 0.860 177.145 176.300 -0.024 0.000 1.077 127 R CA 1.142 57.246 56.100 0.006 0.000 1.065 127 R CB 0.168 30.512 30.300 0.073 0.000 1.003 127 R HN 2.070 nan 8.270 nan 0.000 0.470 128 A N 0.636 123.457 122.820 0.001 0.000 6.643 128 A HA 0.136 4.456 4.320 -0.000 0.000 0.230 128 A C -0.354 177.129 177.584 -0.169 0.000 2.273 128 A CA -0.023 51.980 52.037 -0.057 0.000 0.690 128 A CB -1.571 17.379 19.000 -0.083 0.000 0.908 128 A HN 1.042 nan 8.150 nan 0.000 0.366 129 A N -0.966 121.724 122.820 -0.217 0.000 2.288 129 A HA 1.120 5.440 4.320 -0.000 0.000 0.328 129 A C 1.044 178.435 177.584 -0.323 0.000 1.123 129 A CA 0.688 52.577 52.037 -0.246 0.000 0.861 129 A CB 1.216 20.098 19.000 -0.197 0.000 1.272 129 A HN 2.983 nan 8.150 nan 0.000 0.490 130 G N -1.451 107.107 108.800 -0.403 0.000 2.356 130 G HA2 0.525 4.485 3.960 -0.000 0.000 0.281 130 G HA3 0.525 4.485 3.960 -0.000 0.000 0.281 130 G C -1.793 172.695 174.900 -0.686 0.000 1.246 130 G CA -0.569 44.312 45.100 -0.366 0.000 0.889 130 G HN 0.759 nan 8.290 nan 0.000 0.486 131 F N -0.504 119.412 119.950 -0.056 0.000 2.591 131 F HA 0.688 5.215 4.527 -0.000 0.000 0.309 131 F C -0.208 175.583 175.800 -0.014 0.000 1.098 131 F CA -0.701 57.279 58.000 -0.033 0.000 0.937 131 F CB 2.085 41.068 39.000 -0.028 0.000 1.250 131 F HN 0.309 nan 8.300 nan 0.000 0.447 132 I N 2.529 123.187 120.570 0.146 0.000 2.440 132 I HA 0.359 4.529 4.170 -0.000 0.000 0.294 132 I C -0.359 175.811 176.117 0.087 0.000 0.995 132 I CA 0.020 61.375 61.300 0.092 0.000 1.306 132 I CB 0.508 38.534 38.000 0.042 0.000 1.407 132 I HN 0.409 nan 8.210 nan 0.000 0.501 133 D N 4.078 124.527 120.400 0.082 0.000 2.450 133 D HA 0.478 5.118 4.640 -0.000 0.000 0.238 133 D C 0.489 176.818 176.300 0.048 0.000 1.020 133 D CA -0.602 53.429 54.000 0.052 0.000 1.010 133 D CB 1.379 42.207 40.800 0.047 0.000 1.342 133 D HN 0.323 nan 8.370 nan 0.000 0.530 134 K N -0.438 119.955 120.400 -0.011 0.000 4.777 134 K HA -0.326 3.994 4.320 -0.000 0.000 0.247 134 K C 0.593 177.178 176.600 -0.026 0.000 0.718 134 K CA 2.887 59.119 56.287 -0.091 0.000 0.778 134 K CB -1.282 31.117 32.500 -0.168 0.000 0.780 134 K HN 0.481 nan 8.250 nan 0.000 0.811 135 V N -4.251 115.746 119.914 0.138 0.000 0.465 135 V HA -0.213 3.907 4.120 -0.000 0.000 0.093 135 V C 0.349 176.707 176.094 0.439 0.000 2.841 135 V CA 1.368 63.825 62.300 0.262 0.000 3.838 135 V CB -1.930 29.924 31.823 0.052 0.000 1.138 135 V HN 0.913 nan 8.190 nan 0.000 1.176 136 Y N -1.448 118.911 120.300 0.098 0.000 2.500 136 Y HA -0.161 4.388 4.550 -0.000 0.000 0.064 136 Y C -1.617 174.350 175.900 0.112 0.000 1.696 136 Y CA 0.490 58.650 58.100 0.101 0.000 1.423 136 Y CB -1.150 37.377 38.460 0.113 0.000 2.068 136 Y HN 0.288 nan 8.280 nan 0.000 0.253 137 P HA 0.101 nan 4.420 nan 0.000 0.255 137 P C -0.619 176.789 177.300 0.179 0.000 1.427 137 P CA 0.466 63.665 63.100 0.164 0.000 0.863 137 P CB 0.082 31.852 31.700 0.116 0.000 1.444 138 L N 1.155 122.541 121.223 0.271 0.000 2.397 138 L HA 0.175 4.515 4.340 -0.000 0.000 0.271 138 L C 1.704 178.773 176.870 0.332 0.000 1.148 138 L CA 0.787 55.787 54.840 0.266 0.000 0.825 138 L CB 0.066 42.239 42.059 0.189 0.000 1.117 138 L HN 0.041 nan 8.230 nan 0.000 0.456 139 T N -2.931 111.761 114.554 0.230 0.000 3.004 139 T HA 0.278 4.628 4.350 -0.000 0.000 0.266 139 T C 0.428 175.228 174.700 0.166 0.000 0.986 139 T CA 0.184 62.385 62.100 0.168 0.000 0.902 139 T CB 0.395 69.321 68.868 0.097 0.000 1.118 139 T HN 0.291 nan 8.240 nan 0.000 0.522 140 V N -0.032 120.009 119.914 0.212 0.000 6.749 140 V HA 0.128 4.248 4.120 -0.000 0.000 0.366 140 V C 0.582 176.730 176.094 0.089 0.000 0.350 140 V CA 0.219 62.620 62.300 0.168 0.000 0.737 140 V CB -2.027 29.876 31.823 0.133 0.000 0.260 140 V HN 1.152 nan 8.190 nan 0.000 1.453 141 G N -0.013 108.824 108.800 0.062 0.000 3.937 141 G HA2 0.434 4.394 3.960 -0.000 0.000 0.232 141 G HA3 0.434 4.394 3.960 -0.000 0.000 0.232 141 G C -0.845 174.070 174.900 0.026 0.000 3.605 141 G CA 0.054 45.178 45.100 0.040 0.000 0.702 141 G HN 0.550 nan 8.290 nan 0.000 0.296 142 D N -0.005 120.396 120.400 0.001 0.000 2.585 142 D HA 0.644 5.284 4.640 -0.000 0.000 0.254 142 D C -0.135 176.145 176.300 -0.033 0.000 1.067 142 D CA -0.629 53.367 54.000 -0.007 0.000 1.090 142 D CB 1.242 42.041 40.800 -0.003 0.000 1.408 142 D HN 0.068 nan 8.370 nan 0.000 0.554 143 K N 0.479 120.862 120.400 -0.030 0.000 2.206 143 K HA 0.648 4.968 4.320 -0.000 0.000 0.264 143 K C -0.749 175.816 176.600 -0.058 0.000 0.967 143 K CA -0.793 55.470 56.287 -0.040 0.000 0.844 143 K CB 1.653 34.141 32.500 -0.021 0.000 1.099 143 K HN 0.342 nan 8.250 nan 0.000 0.441 144 V N -0.269 119.599 119.914 -0.078 0.000 3.155 144 V HA 0.532 4.652 4.120 -0.000 0.000 0.313 144 V C -1.428 174.620 176.094 -0.077 0.000 1.162 144 V CA -0.986 61.259 62.300 -0.091 0.000 1.048 144 V CB 1.946 33.687 31.823 -0.137 0.000 1.092 144 V HN 0.769 nan 8.190 nan 0.000 0.447 145 Q N 0.754 120.508 119.800 -0.077 0.000 2.786 145 Q HA 0.504 4.843 4.340 -0.000 0.000 0.240 145 Q C -0.549 175.410 176.000 -0.069 0.000 0.928 145 Q CA -0.568 55.197 55.803 -0.063 0.000 0.721 145 Q CB 1.288 29.999 28.738 -0.045 0.000 1.318 145 Q HN 0.861 nan 8.270 nan 0.000 0.474 146 K N 1.070 121.425 120.400 -0.076 0.000 3.230 146 K HA -0.202 4.118 4.320 -0.000 0.000 0.285 146 K C 0.452 176.996 176.600 -0.094 0.000 1.196 146 K CA 0.514 56.754 56.287 -0.077 0.000 0.838 146 K CB -1.354 31.111 32.500 -0.058 0.000 1.262 146 K HN 1.138 nan 8.250 nan 0.000 0.492 147 G N 0.734 109.463 108.800 -0.118 0.000 2.421 147 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.300 147 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.300 147 G C 0.598 175.403 174.900 -0.157 0.000 0.974 147 G CA 1.031 46.038 45.100 -0.155 0.000 1.062 147 G HN 0.691 nan 8.290 nan 0.000 0.514 148 T N -2.684 111.791 114.554 -0.132 0.000 3.077 148 T HA 0.118 4.468 4.350 -0.000 0.000 0.269 148 T C -0.197 174.393 174.700 -0.183 0.000 1.146 148 T CA 1.289 63.318 62.100 -0.117 0.000 1.091 148 T CB -0.042 68.784 68.868 -0.070 0.000 0.892 148 T HN 0.540 nan 8.240 nan 0.000 0.533 149 P HA 0.650 nan 4.420 nan 0.000 0.267 149 P C 0.604 177.389 177.300 -0.860 0.000 1.278 149 P CA -0.412 62.273 63.100 -0.691 0.000 0.769 149 P CB 0.697 32.009 31.700 -0.647 0.000 1.952 150 L N -3.205 117.462 121.223 -0.927 0.000 4.702 150 L HA -0.149 4.191 4.340 -0.000 0.000 0.053 150 L C -0.441 176.461 176.870 0.053 0.000 3.887 150 L CA 1.988 56.623 54.840 -0.342 0.000 0.929 150 L CB -1.653 40.280 42.059 -0.211 0.000 3.359 150 L HN 0.425 nan 8.230 nan 0.000 1.070 151 L N -3.121 118.173 121.223 0.119 0.000 2.724 151 L HA 0.787 5.126 4.340 -0.000 0.000 0.258 151 L C -2.006 175.031 176.870 0.279 0.000 0.967 151 L CA -1.069 53.996 54.840 0.374 0.000 0.891 151 L CB 1.984 44.217 42.059 0.291 0.000 1.456 151 L HN 0.140 nan 8.230 nan 0.000 0.416 152 D N 3.600 124.165 120.400 0.275 0.000 2.198 152 D HA 0.814 5.454 4.640 -0.000 0.000 0.247 152 D C -0.723 175.673 176.300 0.161 0.000 1.010 152 D CA -0.149 53.974 54.000 0.205 0.000 0.880 152 D CB 2.268 43.175 40.800 0.177 0.000 1.209 152 D HN 0.664 nan 8.370 nan 0.000 0.451 153 L N -1.093 120.237 121.223 0.178 0.000 2.424 153 L HA 0.758 5.098 4.340 -0.000 0.000 0.258 153 L C -0.203 176.798 176.870 0.219 0.000 0.995 153 L CA -0.849 54.086 54.840 0.158 0.000 0.821 153 L CB 0.871 42.984 42.059 0.090 0.000 1.383 153 L HN 0.478 nan 8.230 nan 0.000 0.410 154 T N -1.005 113.656 114.554 0.180 0.000 2.924 154 T HA 0.888 5.238 4.350 -0.000 0.000 0.291 154 T C -0.375 174.423 174.700 0.164 0.000 1.045 154 T CA -0.667 61.537 62.100 0.173 0.000 1.015 154 T CB 2.320 71.237 68.868 0.082 0.000 1.103 154 T HN 0.577 nan 8.240 nan 0.000 0.496 155 I N 2.207 122.858 120.570 0.134 0.000 2.512 155 I HA 0.323 4.493 4.170 -0.000 0.000 0.287 155 I C -2.209 173.954 176.117 0.077 0.000 1.069 155 I CA -2.647 58.658 61.300 0.008 0.000 1.056 155 I CB 2.608 40.370 38.000 -0.397 0.000 1.229 155 I HN 0.411 nan 8.210 nan 0.000 0.429 156 P HA -0.072 nan 4.420 nan 0.000 0.215 156 P C 0.608 177.982 177.300 0.124 0.000 1.157 156 P CA 1.274 64.430 63.100 0.092 0.000 0.859 156 P CB 0.190 31.944 31.700 0.090 0.000 0.786 157 D N -1.423 119.050 120.400 0.123 0.000 2.144 157 D HA -0.182 4.458 4.640 -0.000 0.000 0.199 157 D C 1.619 178.111 176.300 0.320 0.000 0.984 157 D CA 0.886 54.995 54.000 0.181 0.000 0.834 157 D CB -1.083 39.817 40.800 0.166 0.000 0.955 157 D HN 0.176 nan 8.370 nan 0.000 0.465 158 W N 1.332 122.687 121.300 0.091 0.000 2.379 158 W HA -0.044 4.616 4.660 -0.000 0.000 0.307 158 W C 2.531 179.102 176.519 0.086 0.000 1.200 158 W CA 1.009 58.411 57.345 0.095 0.000 1.297 158 W CB -1.294 28.258 29.460 0.153 0.000 1.140 158 W HN -0.001 nan 8.180 nan 0.000 0.507 159 V N 0.615 120.729 119.914 0.334 0.000 2.660 159 V HA -0.280 3.840 4.120 -0.000 0.000 0.257 159 V C 1.861 178.043 176.094 0.147 0.000 1.088 159 V CA 2.609 65.028 62.300 0.199 0.000 1.106 159 V CB -0.963 30.943 31.823 0.138 0.000 0.686 159 V HN 0.270 nan 8.190 nan 0.000 0.481 160 E N 2.202 122.492 120.200 0.151 0.000 2.051 160 E HA 0.038 4.388 4.350 -0.000 0.000 0.189 160 E C 2.112 178.776 176.600 0.107 0.000 0.979 160 E CA 1.709 58.177 56.400 0.113 0.000 0.803 160 E CB -0.903 28.860 29.700 0.105 0.000 0.761 160 E HN 0.550 nan 8.360 nan 0.000 0.451 161 A N 0.742 123.629 122.820 0.112 0.000 1.940 161 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 161 A C 2.208 179.842 177.584 0.083 0.000 1.176 161 A CA 1.938 54.022 52.037 0.079 0.000 0.631 161 A CB -0.726 18.300 19.000 0.043 0.000 0.814 161 A HN 0.477 nan 8.150 nan 0.000 0.446 162 Q N 0.118 119.966 119.800 0.080 0.000 2.079 162 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 162 Q C 2.402 178.521 176.000 0.198 0.000 0.974 162 Q CA 1.812 57.674 55.803 0.098 0.000 0.840 162 Q CB -0.467 28.311 28.738 0.066 0.000 0.898 162 Q HN 0.808 nan 8.270 nan 0.000 0.430 163 S N 1.895 117.677 115.700 0.137 0.000 2.359 163 S HA -0.286 4.184 4.470 -0.000 0.000 0.223 163 S C 2.065 176.728 174.600 0.104 0.000 1.039 163 S CA 1.664 59.931 58.200 0.111 0.000 1.042 163 S CB -0.365 62.883 63.200 0.080 0.000 0.915 163 S HN 0.537 nan 8.310 nan 0.000 0.439 164 E N 0.906 121.166 120.200 0.101 0.000 2.110 164 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 164 E C 1.912 178.564 176.600 0.086 0.000 0.988 164 E CA 1.588 58.033 56.400 0.076 0.000 0.804 164 E CB -1.278 28.463 29.700 0.069 0.000 0.745 164 E HN 0.811 nan 8.360 nan 0.000 0.458 165 Y N 1.223 121.528 120.300 0.008 0.000 2.165 165 Y HA -0.175 4.375 4.550 -0.000 0.000 0.286 165 Y C 1.834 177.735 175.900 0.003 0.000 1.155 165 Y CA 2.025 60.127 58.100 0.002 0.000 1.164 165 Y CB -0.217 38.242 38.460 -0.002 0.000 0.978 165 Y HN 0.082 nan 8.280 nan 0.000 0.513 166 L N 0.080 121.274 121.223 -0.049 0.000 2.131 166 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 166 L C 2.451 179.228 176.870 -0.153 0.000 1.092 166 L CA 1.309 56.060 54.840 -0.148 0.000 0.759 166 L CB -0.730 41.347 42.059 0.029 0.000 0.903 166 L HN 0.461 nan 8.230 nan 0.000 0.435 167 L N -2.457 118.714 121.223 -0.086 0.000 2.217 167 L HA -0.069 4.270 4.340 -0.000 0.000 0.211 167 L C 2.156 178.970 176.870 -0.094 0.000 1.107 167 L CA 1.419 56.219 54.840 -0.067 0.000 0.783 167 L CB -0.782 41.261 42.059 -0.027 0.000 0.919 167 L HN -0.032 nan 8.230 nan 0.000 0.442 168 L N 0.014 121.159 121.223 -0.130 0.000 2.017 168 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 168 L C 2.937 179.707 176.870 -0.166 0.000 1.073 168 L CA 1.734 56.494 54.840 -0.133 0.000 0.745 168 L CB -0.886 41.092 42.059 -0.136 0.000 0.894 168 L HN 0.290 nan 8.230 nan 0.000 0.432 169 R N -0.800 119.538 120.500 -0.270 0.000 2.091 169 R HA -0.166 4.173 4.340 -0.000 0.000 0.238 169 R C 2.201 178.425 176.300 -0.127 0.000 1.136 169 R CA 1.348 57.311 56.100 -0.227 0.000 0.959 169 R CB -0.104 30.012 30.300 -0.307 0.000 0.856 169 R HN 0.375 nan 8.270 nan 0.000 0.437 170 E N -0.205 119.930 120.200 -0.109 0.000 2.076 170 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 170 E C 1.439 178.008 176.600 -0.053 0.000 0.979 170 E CA 1.353 57.713 56.400 -0.066 0.000 0.807 170 E CB -0.228 29.440 29.700 -0.052 0.000 0.761 170 E HN 0.429 nan 8.360 nan 0.000 0.454 171 T N -1.684 112.837 114.554 -0.055 0.000 3.332 171 T HA 0.329 4.679 4.350 -0.000 0.000 0.367 171 T C 0.902 175.577 174.700 -0.041 0.000 1.244 171 T CA -0.181 61.895 62.100 -0.040 0.000 0.977 171 T CB 0.399 69.246 68.868 -0.035 0.000 1.784 171 T HN 0.033 nan 8.240 nan 0.000 0.553 172 G N -0.094 108.686 108.800 -0.032 0.000 2.571 172 G HA2 0.540 4.500 3.960 -0.000 0.000 0.327 172 G HA3 0.540 4.500 3.960 -0.000 0.000 0.327 172 G C -0.022 174.860 174.900 -0.031 0.000 1.008 172 G CA -0.567 44.516 45.100 -0.029 0.000 1.136 172 G HN 0.960 nan 8.290 nan 0.000 0.444 173 G N 1.728 110.504 108.800 -0.040 0.000 2.574 173 G HA2 0.503 4.462 3.960 -0.000 0.000 0.306 173 G HA3 0.503 4.462 3.960 -0.000 0.000 0.306 173 G C 0.338 175.221 174.900 -0.028 0.000 1.334 173 G CA -0.231 44.846 45.100 -0.039 0.000 0.954 173 G HN 0.770 nan 8.290 nan 0.000 0.500 174 T N 0.653 115.198 114.554 -0.014 0.000 2.903 174 T HA 0.209 4.559 4.350 -0.000 0.000 0.299 174 T C 1.832 176.531 174.700 -0.002 0.000 1.041 174 T CA 0.649 62.745 62.100 -0.006 0.000 1.138 174 T CB 1.012 69.879 68.868 -0.000 0.000 1.040 174 T HN 1.077 nan 8.240 nan 0.000 0.524 175 A N 3.492 126.312 122.820 -0.001 0.000 1.978 175 A HA -0.056 4.264 4.320 -0.000 0.000 0.220 175 A C 2.648 180.242 177.584 0.017 0.000 1.170 175 A CA 2.222 54.262 52.037 0.006 0.000 0.636 175 A CB -1.337 17.666 19.000 0.004 0.000 0.810 175 A HN 1.218 nan 8.150 nan 0.000 0.448 176 T N -4.147 110.416 114.554 0.014 0.000 3.051 176 T HA 0.023 4.373 4.350 -0.000 0.000 0.255 176 T C 1.782 176.496 174.700 0.024 0.000 1.085 176 T CA 1.223 63.333 62.100 0.017 0.000 1.109 176 T CB 0.019 68.893 68.868 0.011 0.000 0.921 176 T HN 0.318 nan 8.240 nan 0.000 0.488 177 Q N 1.499 121.314 119.800 0.024 0.000 2.212 177 Q HA 0.077 4.416 4.340 -0.000 0.000 0.199 177 Q C 2.367 178.402 176.000 0.059 0.000 0.950 177 Q CA 1.827 57.649 55.803 0.031 0.000 0.863 177 Q CB -1.023 27.727 28.738 0.021 0.000 0.944 177 Q HN 0.530 nan 8.270 nan 0.000 0.465 178 T N -0.750 113.844 114.554 0.065 0.000 2.881 178 T HA -0.170 4.180 4.350 -0.000 0.000 0.270 178 T C 1.524 176.355 174.700 0.219 0.000 1.068 178 T CA 1.683 63.866 62.100 0.138 0.000 1.131 178 T CB -0.107 68.797 68.868 0.059 0.000 0.871 178 T HN 0.393 nan 8.240 nan 0.000 0.479 179 E N 0.239 120.507 120.200 0.113 0.000 2.122 179 E HA 0.171 4.521 4.350 -0.000 0.000 0.190 179 E C 2.345 178.964 176.600 0.031 0.000 0.977 179 E CA 1.313 57.753 56.400 0.067 0.000 0.820 179 E CB -1.077 28.646 29.700 0.038 0.000 0.770 179 E HN 0.496 nan 8.360 nan 0.000 0.462 180 G N 1.313 110.133 108.800 0.034 0.000 2.503 180 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.221 180 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.221 180 G C 1.598 176.503 174.900 0.008 0.000 1.131 180 G CA 1.407 46.516 45.100 0.016 0.000 0.756 180 G HN 0.500 nan 8.290 nan 0.000 0.572 181 I N -1.966 118.623 120.570 0.032 0.000 2.852 181 I HA 0.248 4.418 4.170 -0.000 0.000 0.264 181 I C 2.015 178.089 176.117 -0.071 0.000 1.179 181 I CA 0.665 61.972 61.300 0.011 0.000 1.480 181 I CB -0.100 37.950 38.000 0.082 0.000 1.111 181 I HN -0.028 nan 8.210 nan 0.000 0.441 182 L N 0.682 121.850 121.223 -0.092 0.000 2.376 182 L HA 0.053 4.393 4.340 -0.000 0.000 0.219 182 L C 2.353 179.141 176.870 -0.137 0.000 1.133 182 L CA 1.380 56.107 54.840 -0.188 0.000 0.816 182 L CB -1.038 40.911 42.059 -0.184 0.000 0.933 182 L HN 0.357 nan 8.230 nan 0.000 0.449 183 E N -0.317 119.832 120.200 -0.085 0.000 2.250 183 E HA -0.029 4.321 4.350 -0.000 0.000 0.192 183 E C 1.956 178.507 176.600 -0.082 0.000 0.986 183 E CA 0.417 56.773 56.400 -0.073 0.000 0.849 183 E CB 0.257 29.931 29.700 -0.042 0.000 0.797 183 E HN 0.416 nan 8.360 nan 0.000 0.482 184 R N -0.102 120.352 120.500 -0.078 0.000 2.299 184 R HA 0.030 4.370 4.340 -0.000 0.000 0.197 184 R C 1.708 177.933 176.300 -0.124 0.000 0.971 184 R CA 0.114 56.169 56.100 -0.075 0.000 1.030 184 R CB 0.223 30.497 30.300 -0.043 0.000 0.932 184 R HN 0.021 nan 8.270 nan 0.000 0.477 185 L N -0.222 120.891 121.223 -0.184 0.000 2.575 185 L HA 0.170 4.510 4.340 -0.000 0.000 0.228 185 L C 1.871 178.523 176.870 -0.364 0.000 1.075 185 L CA 0.931 55.589 54.840 -0.305 0.000 0.867 185 L CB 0.148 42.011 42.059 -0.326 0.000 1.097 185 L HN -0.149 nan 8.230 nan 0.000 0.485 186 R N -0.403 119.948 120.500 -0.248 0.000 2.062 186 R HA -0.117 4.223 4.340 -0.000 0.000 0.231 186 R C 2.008 178.198 176.300 -0.184 0.000 1.136 186 R CA 1.970 57.942 56.100 -0.214 0.000 0.948 186 R CB -0.634 29.582 30.300 -0.140 0.000 0.845 186 R HN 0.317 nan 8.270 nan 0.000 0.430 187 L N -1.063 120.081 121.223 -0.132 0.000 2.201 187 L HA 0.172 4.512 4.340 -0.000 0.000 0.212 187 L C 2.264 179.091 176.870 -0.072 0.000 1.105 187 L CA 1.589 56.380 54.840 -0.082 0.000 0.775 187 L CB -1.107 40.920 42.059 -0.053 0.000 0.913 187 L HN -0.007 nan 8.230 nan 0.000 0.440 188 A N 0.291 123.035 122.820 -0.126 0.000 1.986 188 A HA 0.176 4.496 4.320 -0.000 0.000 0.220 188 A C 2.159 179.771 177.584 0.046 0.000 1.171 188 A CA 2.217 54.211 52.037 -0.072 0.000 0.640 188 A CB -1.010 17.843 19.000 -0.245 0.000 0.811 188 A HN 0.861 nan 8.150 nan 0.000 0.451 189 G N -3.757 104.963 108.800 -0.134 0.000 2.559 189 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.202 189 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.202 189 G C 0.193 174.985 174.900 -0.180 0.000 0.992 189 G CA -0.041 45.101 45.100 0.069 0.000 0.764 189 G HN 0.218 nan 8.290 nan 0.000 0.525 190 M N 2.047 121.168 119.600 -0.797 0.000 2.284 190 M HA 0.184 4.664 4.480 -0.000 0.000 0.351 190 M C -1.958 174.196 176.300 -0.244 0.000 1.443 190 M CA -0.729 54.128 55.300 -0.738 0.000 1.031 190 M CB 0.242 32.401 32.600 -0.734 0.000 1.893 190 M HN -0.060 nan 8.290 nan 0.000 0.456 191 P HA -0.067 nan 4.420 nan 0.000 0.265 191 P C 0.384 177.669 177.300 -0.025 0.000 1.187 191 P CA 0.102 63.191 63.100 -0.018 0.000 0.766 191 P CB 0.498 32.240 31.700 0.070 0.000 0.820 192 E N 2.559 122.742 120.200 -0.029 0.000 2.031 192 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 192 E C 1.832 178.426 176.600 -0.010 0.000 0.994 192 E CA 1.824 58.203 56.400 -0.034 0.000 0.800 192 E CB -0.712 28.970 29.700 -0.031 0.000 0.752 192 E HN 0.503 nan 8.360 nan 0.000 0.447 193 A N 0.993 123.821 122.820 0.012 0.000 2.239 193 A HA -0.111 4.208 4.320 -0.000 0.000 0.209 193 A C 1.518 179.130 177.584 0.048 0.000 1.171 193 A CA 0.924 52.975 52.037 0.024 0.000 0.768 193 A CB -0.135 18.881 19.000 0.026 0.000 0.790 193 A HN 0.072 nan 8.150 nan 0.000 0.478 194 D N -0.555 119.889 120.400 0.073 0.000 2.262 194 D HA 0.064 4.704 4.640 -0.000 0.000 0.212 194 D C 1.760 178.094 176.300 0.057 0.000 0.964 194 D CA 0.503 54.574 54.000 0.119 0.000 0.875 194 D CB 0.085 41.061 40.800 0.293 0.000 0.996 194 D HN 0.467 nan 8.370 nan 0.000 0.497 195 I N 0.999 121.569 120.570 0.000 0.000 2.439 195 I HA -0.141 4.029 4.170 -0.000 0.000 0.251 195 I C 1.980 178.070 176.117 -0.045 0.000 1.139 195 I CA 0.744 62.005 61.300 -0.065 0.000 1.438 195 I CB 0.104 38.029 38.000 -0.124 0.000 1.085 195 I HN -0.160 nan 8.210 nan 0.000 0.427 196 R N -0.071 120.417 120.500 -0.019 0.000 2.323 196 R HA -0.023 4.317 4.340 -0.000 0.000 0.198 196 R C 1.942 178.248 176.300 0.011 0.000 0.988 196 R CA 0.237 56.335 56.100 -0.005 0.000 1.041 196 R CB -0.069 30.230 30.300 -0.002 0.000 0.926 196 R HN 0.304 nan 8.270 nan 0.000 0.476 197 R N 0.143 120.652 120.500 0.015 0.000 2.282 197 R HA 0.066 4.406 4.340 -0.000 0.000 0.195 197 R C 1.752 178.067 176.300 0.025 0.000 0.909 197 R CA 0.001 56.114 56.100 0.021 0.000 1.039 197 R CB 0.260 30.575 30.300 0.024 0.000 1.015 197 R HN 0.069 nan 8.270 nan 0.000 0.513 198 L N 1.726 122.960 121.223 0.019 0.000 1.973 198 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 198 L C 2.139 179.059 176.870 0.084 0.000 1.073 198 L CA 1.739 56.601 54.840 0.037 0.000 0.746 198 L CB -0.461 41.585 42.059 -0.022 0.000 0.891 198 L HN 0.223 nan 8.230 nan 0.000 0.433 199 I N -2.131 118.488 120.570 0.081 0.000 2.399 199 I HA -0.211 3.959 4.170 -0.000 0.000 0.254 199 I C 2.190 178.353 176.117 0.078 0.000 1.146 199 I CA 1.521 62.896 61.300 0.125 0.000 1.412 199 I CB -0.886 37.175 38.000 0.101 0.000 1.076 199 I HN 0.259 nan 8.210 nan 0.000 0.432 200 A N 1.783 124.633 122.820 0.051 0.000 1.874 200 A HA -0.081 4.239 4.320 -0.000 0.000 0.214 200 A C 2.240 179.844 177.584 0.033 0.000 1.189 200 A CA 2.007 54.065 52.037 0.035 0.000 0.615 200 A CB -0.877 18.138 19.000 0.025 0.000 0.830 200 A HN 0.631 nan 8.150 nan 0.000 0.443 201 T N -4.889 109.686 114.554 0.036 0.000 3.084 201 T HA 0.310 4.660 4.350 -0.000 0.000 0.270 201 T C 0.586 175.307 174.700 0.036 0.000 1.008 201 T CA 0.621 62.738 62.100 0.029 0.000 0.900 201 T CB 0.370 69.250 68.868 0.020 0.000 1.084 201 T HN 0.462 nan 8.240 nan 0.000 0.538 202 Q N 0.269 120.103 119.800 0.057 0.000 2.393 202 Q HA -0.201 4.139 4.340 -0.000 0.000 0.235 202 Q C -0.482 175.557 176.000 0.065 0.000 0.823 202 Q CA 0.921 56.767 55.803 0.072 0.000 1.284 202 Q CB -0.789 27.973 28.738 0.041 0.000 1.669 202 Q HN 0.565 nan 8.270 nan 0.000 0.597 203 K N 1.090 121.520 120.400 0.049 0.000 2.234 203 K HA 0.241 4.561 4.320 -0.000 0.000 0.282 203 K C 0.365 176.989 176.600 0.041 0.000 1.039 203 K CA -0.486 55.822 56.287 0.035 0.000 0.928 203 K CB 0.560 33.070 32.500 0.016 0.000 1.039 203 K HN 0.186 nan 8.250 nan 0.000 0.470 204 I N 4.642 125.238 120.570 0.042 0.000 2.872 204 I HA -0.121 4.049 4.170 -0.000 0.000 0.287 204 I C 0.699 176.824 176.117 0.014 0.000 1.197 204 I CA 0.683 62.011 61.300 0.046 0.000 1.390 204 I CB -0.220 37.808 38.000 0.047 0.000 1.400 204 I HN 0.334 nan 8.210 nan 0.000 0.544 205 Q N 5.045 124.853 119.800 0.014 0.000 2.293 205 Q HA 0.157 4.497 4.340 -0.000 0.000 0.263 205 Q C 0.868 176.801 176.000 -0.112 0.000 1.002 205 Q CA 0.211 55.977 55.803 -0.061 0.000 0.910 205 Q CB 1.562 30.290 28.738 -0.017 0.000 1.185 205 Q HN 0.675 nan 8.270 nan 0.000 0.401 206 T N 1.598 115.987 114.554 -0.275 0.000 2.992 206 T HA 0.116 4.466 4.350 -0.000 0.000 0.255 206 T C -0.066 174.383 174.700 -0.419 0.000 0.938 206 T CA -0.025 61.939 62.100 -0.227 0.000 0.895 206 T CB 0.527 69.350 68.868 -0.074 0.000 1.221 206 T HN 0.479 nan 8.240 nan 0.000 0.512 207 R N 1.372 121.534 120.500 -0.562 0.000 2.435 207 R HA 0.492 4.832 4.340 -0.000 0.000 0.308 207 R C -1.919 174.120 176.300 -0.434 0.000 0.975 207 R CA -0.523 55.352 56.100 -0.375 0.000 0.867 207 R CB 0.343 30.564 30.300 -0.130 0.000 1.171 207 R HN 0.135 nan 8.270 nan 0.000 0.470 208 F N 2.491 122.488 119.950 0.079 0.000 2.403 208 F HA 0.254 4.781 4.527 -0.000 0.000 0.355 208 F C 0.696 176.540 175.800 0.074 0.000 1.119 208 F CA -1.172 56.878 58.000 0.083 0.000 1.007 208 F CB 1.660 40.725 39.000 0.108 0.000 1.194 208 F HN 0.348 nan 8.300 nan 0.000 0.443 209 T N 2.715 117.408 114.554 0.231 0.000 2.870 209 T HA 0.532 4.882 4.350 -0.000 0.000 0.300 209 T C -0.427 174.361 174.700 0.147 0.000 0.989 209 T CA -0.604 61.609 62.100 0.189 0.000 1.139 209 T CB 0.295 69.269 68.868 0.176 0.000 0.920 209 T HN 0.484 nan 8.240 nan 0.000 0.537 210 L N 1.576 122.859 121.223 0.100 0.000 2.305 210 L HA 0.701 5.041 4.340 -0.000 0.000 0.284 210 L C -0.087 176.769 176.870 -0.023 0.000 1.013 210 L CA -1.211 53.655 54.840 0.043 0.000 0.819 210 L CB 0.720 42.799 42.059 0.033 0.000 1.227 210 L HN 0.586 nan 8.230 nan 0.000 0.417 211 K N 1.860 122.233 120.400 -0.044 0.000 2.107 211 K HA 0.807 5.127 4.320 -0.000 0.000 0.251 211 K C -0.079 176.462 176.600 -0.098 0.000 1.012 211 K CA -0.391 55.839 56.287 -0.094 0.000 0.920 211 K CB 1.046 33.499 32.500 -0.079 0.000 1.033 211 K HN 0.850 nan 8.250 nan 0.000 0.478 212 A N 2.466 125.206 122.820 -0.133 0.000 2.309 212 A HA 0.320 4.640 4.320 -0.000 0.000 0.298 212 A C -1.935 175.578 177.584 -0.118 0.000 1.165 212 A CA -1.679 50.277 52.037 -0.135 0.000 0.821 212 A CB 0.382 19.273 19.000 -0.183 0.000 1.102 212 A HN 0.468 nan 8.150 nan 0.000 0.500 213 P HA -0.133 nan 4.420 nan 0.000 0.212 213 P C 0.611 177.853 177.300 -0.097 0.000 1.178 213 P CA 1.357 64.397 63.100 -0.100 0.000 0.915 213 P CB -0.168 31.463 31.700 -0.115 0.000 0.788 214 I N -4.171 116.332 120.570 -0.111 0.000 2.822 214 I HA 0.452 4.622 4.170 -0.000 0.000 0.312 214 I C -0.712 175.347 176.117 -0.097 0.000 1.011 214 I CA -1.203 60.038 61.300 -0.099 0.000 1.105 214 I CB 1.260 39.195 38.000 -0.107 0.000 1.291 214 I HN -0.327 nan 8.210 nan 0.000 0.474 215 D N 3.104 123.457 120.400 -0.079 0.000 2.383 215 D HA 0.561 5.201 4.640 -0.000 0.000 0.252 215 D C 0.326 176.575 176.300 -0.084 0.000 1.166 215 D CA 0.359 54.315 54.000 -0.073 0.000 0.879 215 D CB 1.405 42.174 40.800 -0.053 0.000 1.164 215 D HN 0.949 nan 8.370 nan 0.000 0.462 216 G N -0.064 108.680 108.800 -0.093 0.000 2.562 216 G HA2 0.468 4.428 3.960 -0.000 0.000 0.190 216 G HA3 0.468 4.428 3.960 -0.000 0.000 0.190 216 G C -1.606 173.229 174.900 -0.108 0.000 1.196 216 G CA -0.417 44.618 45.100 -0.110 0.000 0.986 216 G HN 0.384 nan 8.290 nan 0.000 0.512 217 V N 0.705 120.535 119.914 -0.141 0.000 2.610 217 V HA 0.349 4.469 4.120 -0.000 0.000 0.298 217 V C -0.761 175.254 176.094 -0.132 0.000 1.067 217 V CA -0.434 61.796 62.300 -0.115 0.000 0.894 217 V CB 1.528 33.302 31.823 -0.081 0.000 1.015 217 V HN 0.614 nan 8.190 nan 0.000 0.432 218 I N 4.076 124.579 120.570 -0.112 0.000 2.664 218 I HA 0.179 4.349 4.170 -0.000 0.000 0.284 218 I C 0.914 177.005 176.117 -0.043 0.000 1.154 218 I CA 1.076 62.309 61.300 -0.110 0.000 1.402 218 I CB 0.766 38.676 38.000 -0.150 0.000 1.395 218 I HN 0.682 nan 8.210 nan 0.000 0.545 219 T N 5.755 120.284 114.554 -0.043 0.000 2.771 219 T HA 0.734 5.084 4.350 -0.000 0.000 0.281 219 T C -0.142 174.583 174.700 0.043 0.000 0.982 219 T CA 0.034 62.135 62.100 0.002 0.000 0.978 219 T CB 0.417 69.270 68.868 -0.025 0.000 0.930 219 T HN 1.291 nan 8.240 nan 0.000 0.447 220 A N 3.472 126.337 122.820 0.076 0.000 2.431 220 A HA 0.143 4.463 4.320 -0.000 0.000 0.685 220 A C -0.095 177.624 177.584 0.225 0.000 0.140 220 A CA 0.470 52.570 52.037 0.106 0.000 0.038 220 A CB -1.848 17.195 19.000 0.072 0.000 3.966 220 A HN 2.102 nan 8.150 nan 0.000 0.547 221 F N 2.293 122.241 119.950 -0.003 0.000 3.028 221 F HA 0.191 4.718 4.527 -0.000 0.000 0.472 221 F C 0.209 176.012 175.800 0.006 0.000 0.892 221 F CA 0.446 58.446 58.000 -0.001 0.000 1.164 221 F CB -0.451 38.546 39.000 -0.004 0.000 2.847 221 F HN 0.764 nan 8.300 nan 0.000 0.466 222 D N 0.979 121.289 120.400 -0.151 0.000 2.394 222 D HA 0.159 4.799 4.640 -0.000 0.000 0.237 222 D C 0.875 177.025 176.300 -0.251 0.000 1.028 222 D CA 1.195 55.097 54.000 -0.164 0.000 0.937 222 D CB 0.089 40.848 40.800 -0.068 0.000 1.072 222 D HN 0.341 nan 8.370 nan 0.000 0.457 223 L N 1.436 122.545 121.223 -0.189 0.000 2.749 223 L HA -0.090 4.250 4.340 -0.000 0.000 0.313 223 L C 1.004 177.747 176.870 -0.213 0.000 1.251 223 L CA 0.572 55.314 54.840 -0.163 0.000 0.867 223 L CB -0.415 41.569 42.059 -0.125 0.000 1.122 223 L HN 0.342 nan 8.230 nan 0.000 0.513 224 R N 2.935 123.355 120.500 -0.133 0.000 2.766 224 R HA 0.650 4.990 4.340 -0.000 0.000 0.270 224 R C -0.875 175.395 176.300 -0.050 0.000 1.035 224 R CA -0.337 55.697 56.100 -0.110 0.000 0.911 224 R CB 1.217 31.449 30.300 -0.112 0.000 1.243 224 R HN 0.879 nan 8.270 nan 0.000 0.460 225 A N 0.157 122.960 122.820 -0.028 0.000 1.532 225 A HA 0.139 4.459 4.320 -0.000 0.000 0.206 225 A C 1.096 178.691 177.584 0.018 0.000 1.201 225 A CA 1.766 53.801 52.037 -0.003 0.000 0.699 225 A CB -1.959 17.034 19.000 -0.011 0.000 1.152 225 A HN 2.333 nan 8.150 nan 0.000 0.209 226 G N 1.202 110.033 108.800 0.050 0.000 2.462 226 G HA2 0.037 3.997 3.960 -0.000 0.000 0.283 226 G HA3 0.037 3.997 3.960 -0.000 0.000 0.283 226 G C -0.167 174.800 174.900 0.112 0.000 1.043 226 G CA 0.746 45.908 45.100 0.105 0.000 1.300 226 G HN 1.575 nan 8.290 nan 0.000 0.518 227 M N -0.165 119.483 119.600 0.079 0.000 2.775 227 M HA 0.524 5.004 4.480 -0.000 0.000 0.296 227 M C -0.251 175.980 176.300 -0.116 0.000 1.248 227 M CA -1.129 54.177 55.300 0.010 0.000 0.800 227 M CB 1.548 34.127 32.600 -0.035 0.000 1.765 227 M HN 0.131 nan 8.290 nan 0.000 0.472 228 N N 0.696 119.284 118.700 -0.186 0.000 2.444 228 N HA 0.582 5.322 4.740 -0.000 0.000 0.262 228 N C -1.377 173.974 175.510 -0.264 0.000 0.974 228 N CA -0.284 52.542 53.050 -0.373 0.000 0.933 228 N CB 0.830 39.134 38.487 -0.305 0.000 1.137 228 N HN 0.344 nan 8.380 nan 0.000 0.498 229 I N 1.233 121.621 120.570 -0.304 0.000 3.062 229 I HA 0.806 4.976 4.170 -0.000 0.000 0.318 229 I C 0.718 176.716 176.117 -0.199 0.000 1.026 229 I CA -0.602 60.578 61.300 -0.201 0.000 1.096 229 I CB 1.259 39.157 38.000 -0.171 0.000 1.348 229 I HN 0.580 nan 8.210 nan 0.000 0.543 230 A N 1.383 124.122 122.820 -0.136 0.000 2.765 230 A HA 0.566 4.886 4.320 -0.000 0.000 0.305 230 A C 0.398 177.937 177.584 -0.076 0.000 1.229 230 A CA -0.068 51.903 52.037 -0.110 0.000 0.653 230 A CB 0.335 19.283 19.000 -0.087 0.000 1.375 230 A HN 0.711 nan 8.150 nan 0.000 0.540 231 K N -0.731 119.639 120.400 -0.051 0.000 2.463 231 K HA -0.327 3.992 4.320 -0.000 0.000 0.142 231 K C -0.542 176.042 176.600 -0.027 0.000 0.694 231 K CA 2.836 59.106 56.287 -0.028 0.000 0.875 231 K CB -0.989 31.499 32.500 -0.020 0.000 0.380 231 K HN 0.523 nan 8.250 nan 0.000 1.004 232 D N 0.632 121.018 120.400 -0.024 0.000 2.819 232 D HA 0.287 4.927 4.640 -0.000 0.000 0.326 232 D C -0.983 175.303 176.300 -0.023 0.000 1.408 232 D CA -0.481 53.506 54.000 -0.021 0.000 0.811 232 D CB 0.169 40.964 40.800 -0.008 0.000 1.148 232 D HN 0.229 nan 8.370 nan 0.000 0.457 233 N N 0.740 119.420 118.700 -0.035 0.000 2.236 233 N HA -0.068 4.672 4.740 -0.000 0.000 0.238 233 N C -0.368 175.132 175.510 -0.018 0.000 1.244 233 N CA 0.226 53.258 53.050 -0.031 0.000 0.848 233 N CB 0.653 39.110 38.487 -0.049 0.000 1.094 233 N HN 0.066 nan 8.380 nan 0.000 0.448 234 V N 2.851 122.762 119.914 -0.005 0.000 2.368 234 V HA 0.149 4.269 4.120 -0.000 0.000 0.266 234 V C 1.224 177.330 176.094 0.021 0.000 1.045 234 V CA -0.367 61.940 62.300 0.012 0.000 0.899 234 V CB 0.844 32.682 31.823 0.026 0.000 1.006 234 V HN 0.502 nan 8.190 nan 0.000 0.470 235 V N 4.634 124.570 119.914 0.035 0.000 3.506 235 V HA 0.780 4.900 4.120 -0.000 0.000 0.263 235 V C 0.560 176.756 176.094 0.170 0.000 1.203 235 V CA 1.024 63.366 62.300 0.069 0.000 1.133 235 V CB -0.334 31.531 31.823 0.070 0.000 0.802 235 V HN 1.582 nan 8.190 nan 0.000 0.459 236 A N 0.278 123.178 122.820 0.133 0.000 2.490 236 A HA 0.721 5.041 4.320 -0.000 0.000 0.292 236 A C -0.992 176.624 177.584 0.053 0.000 1.047 236 A CA -0.373 51.760 52.037 0.159 0.000 0.632 236 A CB 0.968 20.066 19.000 0.163 0.000 1.323 236 A HN 0.812 nan 8.150 nan 0.000 0.448 237 K N -0.347 120.065 120.400 0.020 0.000 2.607 237 K HA 0.860 5.180 4.320 -0.000 0.000 0.287 237 K C -1.711 174.854 176.600 -0.059 0.000 0.996 237 K CA -0.768 55.513 56.287 -0.010 0.000 0.876 237 K CB 1.353 33.894 32.500 0.068 0.000 1.496 237 K HN 0.726 nan 8.250 nan 0.000 0.415 238 I N 0.628 121.149 120.570 -0.082 0.000 2.969 238 I HA 0.321 4.491 4.170 -0.000 0.000 0.307 238 I C -0.953 175.079 176.117 -0.142 0.000 1.149 238 I CA -1.167 60.055 61.300 -0.130 0.000 1.008 238 I CB 2.429 40.335 38.000 -0.157 0.000 1.232 238 I HN 0.536 nan 8.210 nan 0.000 0.435 239 Q N 1.845 121.501 119.800 -0.241 0.000 2.345 239 Q HA 0.584 4.924 4.340 -0.000 0.000 0.268 239 Q C -0.439 175.361 176.000 -0.333 0.000 1.054 239 Q CA -0.586 54.991 55.803 -0.377 0.000 0.835 239 Q CB 2.690 30.943 28.738 -0.808 0.000 1.339 239 Q HN 0.889 nan 8.270 nan 0.000 0.447 240 G N 0.530 109.168 108.800 -0.268 0.000 2.441 240 G HA2 0.565 4.525 3.960 -0.000 0.000 0.334 240 G HA3 0.565 4.525 3.960 -0.000 0.000 0.334 240 G C -0.024 174.827 174.900 -0.082 0.000 1.161 240 G CA -0.389 44.623 45.100 -0.147 0.000 0.935 240 G HN 0.569 nan 8.290 nan 0.000 0.488 241 M N 0.355 119.957 119.600 0.004 0.000 2.347 241 M HA 0.138 4.618 4.480 -0.000 0.000 0.302 241 M C 1.296 177.634 176.300 0.063 0.000 1.051 241 M CA -0.174 55.181 55.300 0.092 0.000 0.988 241 M CB 0.803 33.473 32.600 0.118 0.000 1.475 241 M HN 0.589 nan 8.290 nan 0.000 0.530 242 D N 2.011 122.431 120.400 0.034 0.000 2.178 242 D HA 0.012 4.652 4.640 -0.000 0.000 0.201 242 D C -2.006 174.331 176.300 0.061 0.000 0.980 242 D CA 0.945 54.968 54.000 0.039 0.000 0.842 242 D CB -0.278 40.538 40.800 0.025 0.000 0.948 242 D HN 0.179 nan 8.370 nan 0.000 0.472 243 P HA 0.306 nan 4.420 nan 0.000 0.308 243 P C -1.153 176.207 177.300 0.099 0.000 1.416 243 P CA -0.679 62.485 63.100 0.106 0.000 1.059 243 P CB 2.841 34.616 31.700 0.125 0.000 1.289 244 V N 1.431 121.448 119.914 0.173 0.000 3.046 244 V HA 0.512 4.632 4.120 -0.000 0.000 0.316 244 V C -1.051 175.296 176.094 0.422 0.000 1.104 244 V CA -0.354 62.054 62.300 0.180 0.000 1.006 244 V CB 2.472 34.358 31.823 0.105 0.000 1.058 244 V HN 0.508 nan 8.190 nan 0.000 0.440 245 W N 2.512 123.819 121.300 0.013 0.000 2.433 245 W HA 0.579 5.239 4.660 -0.000 0.000 0.288 245 W C -0.242 176.261 176.519 -0.027 0.000 0.986 245 W CA -1.005 56.345 57.345 0.008 0.000 1.680 245 W CB 1.409 30.880 29.460 0.018 0.000 1.615 245 W HN 0.481 nan 8.180 nan 0.000 0.416 246 V N 1.624 121.601 119.914 0.105 0.000 2.530 246 V HA 0.772 4.892 4.120 -0.000 0.000 0.282 246 V C 0.027 176.080 176.094 -0.069 0.000 1.048 246 V CA 0.147 62.447 62.300 -0.001 0.000 0.997 246 V CB 1.009 32.814 31.823 -0.029 0.000 0.987 246 V HN 0.314 nan 8.190 nan 0.000 0.477 247 T N 5.477 119.984 114.554 -0.077 0.000 3.068 247 T HA 0.733 5.083 4.350 -0.000 0.000 0.364 247 T C 0.065 174.703 174.700 -0.104 0.000 1.161 247 T CA 0.273 62.306 62.100 -0.112 0.000 1.155 247 T CB 0.792 69.604 68.868 -0.095 0.000 1.060 247 T HN 1.341 nan 8.240 nan 0.000 0.513 248 A N 2.432 125.170 122.820 -0.137 0.000 2.322 248 A HA 0.852 5.172 4.320 -0.000 0.000 0.269 248 A C 0.510 178.011 177.584 -0.137 0.000 1.094 248 A CA -0.772 51.193 52.037 -0.120 0.000 0.807 248 A CB 0.299 19.204 19.000 -0.157 0.000 1.047 248 A HN 0.995 nan 8.150 nan 0.000 0.487 249 A N 1.851 124.626 122.820 -0.076 0.000 2.274 249 A HA 0.632 4.952 4.320 -0.000 0.000 0.309 249 A C -0.419 177.079 177.584 -0.143 0.000 1.226 249 A CA -0.348 51.648 52.037 -0.067 0.000 0.853 249 A CB 0.100 19.107 19.000 0.012 0.000 1.146 249 A HN 0.597 nan 8.150 nan 0.000 0.518 250 I N 3.084 123.545 120.570 -0.181 0.000 2.569 250 I HA 0.426 4.596 4.170 -0.000 0.000 0.296 250 I C -2.527 173.545 176.117 -0.075 0.000 1.028 250 I CA -2.819 58.326 61.300 -0.257 0.000 1.082 250 I CB 1.642 39.454 38.000 -0.314 0.000 1.264 250 I HN 0.321 nan 8.210 nan 0.000 0.429 251 P HA 0.178 nan 4.420 nan 0.000 0.276 251 P C 0.649 177.954 177.300 0.009 0.000 1.230 251 P CA -0.313 62.804 63.100 0.029 0.000 0.776 251 P CB 0.448 32.188 31.700 0.067 0.000 0.888 252 E N 1.566 121.785 120.200 0.031 0.000 2.219 252 E HA -0.232 4.117 4.350 -0.000 0.000 0.198 252 E C 1.177 177.827 176.600 0.083 0.000 0.998 252 E CA 1.798 58.232 56.400 0.056 0.000 0.818 252 E CB -0.641 29.100 29.700 0.068 0.000 0.741 252 E HN 0.424 nan 8.360 nan 0.000 0.477 253 S N 0.969 116.708 115.700 0.064 0.000 2.406 253 S HA -0.035 4.434 4.470 -0.000 0.000 0.228 253 S C 1.946 176.512 174.600 -0.057 0.000 1.020 253 S CA 0.853 59.101 58.200 0.079 0.000 0.965 253 S CB -0.321 62.920 63.200 0.068 0.000 0.798 253 S HN 0.346 nan 8.310 nan 0.000 0.488 254 I N 1.358 121.861 120.570 -0.111 0.000 3.860 254 I HA 0.226 4.396 4.170 -0.000 0.000 0.319 254 I C 2.578 178.519 176.117 -0.293 0.000 1.279 254 I CA 0.400 61.555 61.300 -0.241 0.000 1.220 254 I CB -0.360 37.575 38.000 -0.109 0.000 1.027 254 I HN 0.324 nan 8.210 nan 0.000 0.428 255 A N 2.949 125.673 122.820 -0.160 0.000 1.851 255 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 255 A C 2.094 179.651 177.584 -0.047 0.000 1.195 255 A CA 1.728 53.721 52.037 -0.073 0.000 0.622 255 A CB -1.070 17.952 19.000 0.037 0.000 0.831 255 A HN 0.747 nan 8.150 nan 0.000 0.444 256 W N -0.873 120.439 121.300 0.019 0.000 2.632 256 W HA 0.009 4.669 4.660 -0.000 0.000 0.248 256 W C 0.633 177.161 176.519 0.016 0.000 1.259 256 W CA 0.330 57.691 57.345 0.026 0.000 1.288 256 W CB -0.604 28.873 29.460 0.028 0.000 1.136 256 W HN 0.160 nan 8.180 nan 0.000 0.640 257 L N 1.212 122.118 121.223 -0.528 0.000 2.558 257 L HA -0.021 4.318 4.340 -0.000 0.000 0.225 257 L C 2.242 178.973 176.870 -0.232 0.000 1.128 257 L CA 0.336 54.871 54.840 -0.508 0.000 0.868 257 L CB -1.126 40.529 42.059 -0.673 0.000 1.006 257 L HN -0.131 nan 8.230 nan 0.000 0.454 258 V N 0.181 119.986 119.914 -0.183 0.000 2.259 258 V HA -0.179 3.941 4.120 -0.000 0.000 0.226 258 V C 1.038 176.961 176.094 -0.286 0.000 1.016 258 V CA 0.556 62.707 62.300 -0.249 0.000 1.000 258 V CB -0.582 31.062 31.823 -0.299 0.000 0.647 258 V HN 0.453 nan 8.190 nan 0.000 0.466 259 K N -0.743 119.518 120.400 -0.231 0.000 0.847 259 K HA -0.222 4.098 4.320 -0.000 0.000 0.800 259 K C -0.077 176.355 176.600 -0.280 0.000 2.306 259 K CA 0.493 56.740 56.287 -0.067 0.000 1.514 259 K CB -0.971 31.529 32.500 -0.001 0.000 2.737 259 K HN 0.679 nan 8.250 nan 0.000 0.219 260 D N 0.086 120.479 120.400 -0.012 0.000 7.273 260 D HA -0.216 4.424 4.640 -0.000 0.000 0.120 260 D C 0.408 176.429 176.300 -0.464 0.000 0.934 260 D CA 1.378 55.327 54.000 -0.085 0.000 0.889 260 D CB 0.059 40.808 40.800 -0.086 0.000 1.517 260 D HN 0.649 nan 8.370 nan 0.000 0.854 261 A N 3.259 125.861 122.820 -0.364 0.000 2.265 261 A HA 0.079 4.399 4.320 -0.000 0.000 0.213 261 A C 1.915 179.242 177.584 -0.429 0.000 1.255 261 A CA 0.903 52.471 52.037 -0.781 0.000 0.862 261 A CB -0.323 18.691 19.000 0.024 0.000 0.852 261 A HN 0.574 nan 8.150 nan 0.000 0.484 262 S N -0.193 115.329 115.700 -0.296 0.000 2.528 262 S HA -0.117 4.353 4.470 -0.000 0.000 0.219 262 S C 1.436 175.948 174.600 -0.147 0.000 0.985 262 S CA 0.522 58.639 58.200 -0.139 0.000 0.914 262 S CB -0.371 62.780 63.200 -0.082 0.000 0.776 262 S HN 0.832 nan 8.310 nan 0.000 0.526 263 Q N 0.275 119.900 119.800 -0.291 0.000 2.253 263 Q HA 0.331 4.671 4.340 -0.000 0.000 0.210 263 Q C -0.518 175.490 176.000 0.012 0.000 0.907 263 Q CA -0.237 55.461 55.803 -0.175 0.000 0.948 263 Q CB -0.475 28.127 28.738 -0.227 0.000 1.033 263 Q HN 0.574 nan 8.270 nan 0.000 0.471 264 F N 0.650 120.554 119.950 -0.076 0.000 2.492 264 F HA 0.502 5.029 4.527 -0.000 0.000 0.327 264 F C -0.055 175.740 175.800 -0.007 0.000 1.079 264 F CA -1.252 56.714 58.000 -0.056 0.000 0.967 264 F CB 2.475 41.428 39.000 -0.077 0.000 1.169 264 F HN -0.150 nan 8.300 nan 0.000 0.472 265 T N 4.503 119.180 114.554 0.206 0.000 3.186 265 T HA 0.224 4.574 4.350 -0.000 0.000 0.320 265 T C -1.025 173.738 174.700 0.104 0.000 0.955 265 T CA -0.448 61.730 62.100 0.131 0.000 1.030 265 T CB 0.956 69.886 68.868 0.103 0.000 1.013 265 T HN 0.152 nan 8.240 nan 0.000 0.454 266 L N 2.738 124.015 121.223 0.091 0.000 2.357 266 L HA 0.826 5.166 4.340 -0.000 0.000 0.273 266 L C 0.409 177.333 176.870 0.090 0.000 1.080 266 L CA 0.288 55.174 54.840 0.076 0.000 0.803 266 L CB 1.578 43.669 42.059 0.054 0.000 1.174 266 L HN 0.707 nan 8.230 nan 0.000 0.443 267 T N 2.754 117.374 114.554 0.110 0.000 2.889 267 T HA 0.670 5.020 4.350 -0.000 0.000 0.315 267 T C -1.422 173.351 174.700 0.122 0.000 1.291 267 T CA -0.406 61.767 62.100 0.122 0.000 1.028 267 T CB 1.428 70.387 68.868 0.152 0.000 1.235 267 T HN 0.412 nan 8.240 nan 0.000 0.491 268 V N 3.207 123.180 119.914 0.099 0.000 2.638 268 V HA 0.626 4.746 4.120 -0.000 0.000 0.306 268 V C -2.243 173.904 176.094 0.088 0.000 1.052 268 V CA -1.963 60.376 62.300 0.065 0.000 0.885 268 V CB 1.255 33.093 31.823 0.025 0.000 0.999 268 V HN 0.635 nan 8.190 nan 0.000 0.424 269 P HA 0.067 nan 4.420 nan 0.000 0.210 269 P C 0.642 177.973 177.300 0.051 0.000 1.191 269 P CA 1.703 64.861 63.100 0.096 0.000 0.917 269 P CB 0.063 31.817 31.700 0.091 0.000 0.778 270 A N 0.111 122.945 122.820 0.024 0.000 2.409 270 A HA 0.413 4.733 4.320 -0.000 0.000 0.267 270 A C 0.342 177.935 177.584 0.015 0.000 1.127 270 A CA -0.043 52.002 52.037 0.014 0.000 0.795 270 A CB -0.768 18.231 19.000 -0.002 0.000 1.061 270 A HN 0.219 nan 8.150 nan 0.000 0.502 271 R N 1.786 122.297 120.500 0.018 0.000 3.076 271 R HA -0.095 4.245 4.340 -0.000 0.000 0.261 271 R C -2.503 173.812 176.300 0.025 0.000 0.930 271 R CA 0.591 56.702 56.100 0.018 0.000 0.649 271 R CB -1.796 28.511 30.300 0.013 0.000 1.350 271 R HN 0.598 nan 8.270 nan 0.000 0.453 272 P HA 0.058 nan 4.420 nan 0.000 0.263 272 P C -0.326 176.993 177.300 0.032 0.000 1.345 272 P CA 0.089 63.211 63.100 0.037 0.000 1.119 272 P CB 0.544 32.267 31.700 0.038 0.000 1.363 273 D N 2.513 122.933 120.400 0.033 0.000 2.368 273 D HA -0.011 4.629 4.640 -0.000 0.000 0.240 273 D C 1.483 177.802 176.300 0.031 0.000 1.169 273 D CA -0.208 53.810 54.000 0.030 0.000 0.906 273 D CB 0.884 41.703 40.800 0.031 0.000 1.187 273 D HN 0.106 nan 8.370 nan 0.000 0.435 274 K N 0.306 120.723 120.400 0.028 0.000 2.023 274 K HA -0.199 4.120 4.320 -0.000 0.000 0.227 274 K C 0.037 176.656 176.600 0.032 0.000 1.054 274 K CA 2.133 58.437 56.287 0.028 0.000 0.977 274 K CB -0.214 32.301 32.500 0.026 0.000 0.733 274 K HN 0.702 nan 8.250 nan 0.000 0.451 275 T N -1.781 112.794 114.554 0.035 0.000 2.886 275 T HA 0.443 4.793 4.350 -0.000 0.000 0.330 275 T C -0.899 173.828 174.700 0.045 0.000 1.488 275 T CA -1.038 61.086 62.100 0.041 0.000 1.054 275 T CB 1.321 70.213 68.868 0.041 0.000 1.348 275 T HN 0.200 nan 8.240 nan 0.000 0.489 276 L N 0.308 121.562 121.223 0.053 0.000 2.353 276 L HA 0.676 5.016 4.340 -0.000 0.000 0.270 276 L C 0.350 177.261 176.870 0.069 0.000 1.003 276 L CA -1.045 53.829 54.840 0.058 0.000 0.862 276 L CB 0.883 42.975 42.059 0.055 0.000 1.221 276 L HN 0.889 nan 8.230 nan 0.000 0.430 277 T N -0.209 114.387 114.554 0.070 0.000 2.870 277 T HA 0.487 4.837 4.350 -0.000 0.000 0.300 277 T C 0.059 174.819 174.700 0.101 0.000 0.989 277 T CA -0.277 61.872 62.100 0.081 0.000 1.139 277 T CB 0.966 69.877 68.868 0.071 0.000 0.920 277 T HN 0.328 nan 8.240 nan 0.000 0.537 278 I N 4.012 124.656 120.570 0.124 0.000 2.322 278 I HA 0.259 4.428 4.170 -0.000 0.000 0.292 278 I C 1.708 177.921 176.117 0.161 0.000 1.060 278 I CA -0.414 60.982 61.300 0.161 0.000 1.309 278 I CB 0.924 39.060 38.000 0.227 0.000 1.415 278 I HN 0.761 nan 8.210 nan 0.000 0.492 279 R N 4.204 124.793 120.500 0.147 0.000 2.223 279 R HA 0.271 4.611 4.340 -0.000 0.000 0.198 279 R C 0.247 176.620 176.300 0.122 0.000 0.984 279 R CA 0.111 56.285 56.100 0.123 0.000 1.018 279 R CB 0.257 30.620 30.300 0.105 0.000 0.945 279 R HN 0.340 nan 8.270 nan 0.000 0.479 280 K N 0.832 121.324 120.400 0.152 0.000 2.584 280 K HA 0.122 4.442 4.320 -0.000 0.000 0.260 280 K C -1.910 174.789 176.600 0.164 0.000 0.949 280 K CA -0.736 55.614 56.287 0.105 0.000 0.888 280 K CB 0.732 33.251 32.500 0.031 0.000 1.330 280 K HN 0.307 nan 8.250 nan 0.000 0.432 281 W N 2.143 123.496 121.300 0.089 0.000 2.578 281 W HA 0.844 5.504 4.660 -0.000 0.000 0.364 281 W C -1.120 175.419 176.519 0.033 0.000 1.144 281 W CA -0.824 56.574 57.345 0.088 0.000 1.242 281 W CB 1.434 31.070 29.460 0.293 0.000 1.382 281 W HN 0.689 nan 8.180 nan 0.000 0.625 282 T N 1.517 116.250 114.554 0.298 0.000 3.579 282 T HA 0.287 4.637 4.350 -0.000 0.000 0.360 282 T C -2.016 172.810 174.700 0.209 0.000 1.285 282 T CA -0.659 61.469 62.100 0.048 0.000 1.127 282 T CB 0.893 69.688 68.868 -0.121 0.000 1.244 282 T HN 0.605 nan 8.240 nan 0.000 0.476 283 L N 6.514 127.905 121.223 0.280 0.000 2.270 283 L HA 0.572 4.911 4.340 -0.000 0.000 0.286 283 L C -0.109 176.812 176.870 0.084 0.000 1.059 283 L CA -0.890 54.073 54.840 0.204 0.000 0.839 283 L CB 0.251 42.484 42.059 0.290 0.000 1.221 283 L HN 0.652 nan 8.230 nan 0.000 0.431 284 L N 6.941 128.180 121.223 0.027 0.000 2.500 284 L HA 0.150 4.490 4.340 -0.000 0.000 0.272 284 L C -1.425 175.459 176.870 0.023 0.000 1.149 284 L CA -1.476 53.370 54.840 0.010 0.000 0.897 284 L CB -0.122 41.926 42.059 -0.017 0.000 1.178 284 L HN 0.484 nan 8.230 nan 0.000 0.473 285 P HA -0.052 nan 4.420 nan 0.000 0.242 285 P C 0.782 178.099 177.300 0.028 0.000 1.198 285 P CA 0.338 63.460 63.100 0.036 0.000 0.756 285 P CB 0.114 31.835 31.700 0.035 0.000 0.911 286 G N 0.841 109.653 108.800 0.020 0.000 2.365 286 G HA2 0.339 4.299 3.960 -0.000 0.000 0.293 286 G HA3 0.339 4.299 3.960 -0.000 0.000 0.293 286 G C -0.025 174.884 174.900 0.015 0.000 1.128 286 G CA -0.322 44.788 45.100 0.016 0.000 0.971 286 G HN 0.116 nan 8.290 nan 0.000 0.422 287 V N 1.220 121.145 119.914 0.019 0.000 2.405 287 V HA 0.211 4.331 4.120 -0.000 0.000 0.264 287 V C -0.290 175.813 176.094 0.016 0.000 1.048 287 V CA -1.376 60.935 62.300 0.019 0.000 0.966 287 V CB 0.805 32.643 31.823 0.025 0.000 1.015 287 V HN 0.449 nan 8.190 nan 0.000 0.477 288 D N 4.985 125.392 120.400 0.013 0.000 2.356 288 D HA 0.270 4.910 4.640 -0.000 0.000 0.272 288 D C 1.378 177.687 176.300 0.015 0.000 1.337 288 D CA 0.950 54.957 54.000 0.012 0.000 0.970 288 D CB 1.417 42.223 40.800 0.010 0.000 1.092 288 D HN 0.836 nan 8.370 nan 0.000 0.516 289 A N 3.418 126.246 122.820 0.014 0.000 1.927 289 A HA -0.180 4.139 4.320 -0.000 0.000 0.220 289 A C 1.423 179.016 177.584 0.015 0.000 1.185 289 A CA 1.516 53.561 52.037 0.015 0.000 0.639 289 A CB -0.399 18.608 19.000 0.013 0.000 0.820 289 A HN 0.596 nan 8.150 nan 0.000 0.451 290 A N 0.375 123.203 122.820 0.013 0.000 2.496 290 A HA 0.460 4.780 4.320 -0.000 0.000 0.278 290 A C 0.984 178.579 177.584 0.018 0.000 1.137 290 A CA 0.794 52.840 52.037 0.014 0.000 0.805 290 A CB -1.207 17.800 19.000 0.012 0.000 1.077 290 A HN 1.362 nan 8.150 nan 0.000 0.513 291 T N 0.653 115.219 114.554 0.020 0.000 0.546 291 T HA -0.208 4.142 4.350 -0.000 0.000 0.774 291 T C 0.314 175.029 174.700 0.025 0.000 0.992 291 T CA 0.967 63.082 62.100 0.025 0.000 4.076 291 T CB -0.515 68.371 68.868 0.031 0.000 2.303 291 T HN 0.986 nan 8.240 nan 0.000 0.398 292 R N 2.131 122.649 120.500 0.030 0.000 2.772 292 R HA 0.448 4.788 4.340 -0.000 0.000 0.358 292 R C -0.383 175.935 176.300 0.031 0.000 1.143 292 R CA 0.263 56.381 56.100 0.031 0.000 1.153 292 R CB 0.316 30.636 30.300 0.034 0.000 1.329 292 R HN 0.863 nan 8.270 nan 0.000 0.615 293 T N -1.246 113.323 114.554 0.025 0.000 2.771 293 T HA 0.510 4.860 4.350 -0.000 0.000 0.281 293 T C 0.293 174.994 174.700 0.002 0.000 0.982 293 T CA -0.764 61.346 62.100 0.016 0.000 0.978 293 T CB 1.535 70.418 68.868 0.024 0.000 0.930 293 T HN 0.028 nan 8.240 nan 0.000 0.447 294 L N 2.756 123.973 121.223 -0.011 0.000 2.395 294 L HA 0.333 4.673 4.340 -0.000 0.000 0.269 294 L C 0.749 177.595 176.870 -0.040 0.000 1.133 294 L CA -1.061 53.771 54.840 -0.013 0.000 0.812 294 L CB 0.845 42.904 42.059 -0.001 0.000 1.125 294 L HN 0.525 nan 8.230 nan 0.000 0.452 295 Q N 2.492 122.271 119.800 -0.034 0.000 2.314 295 Q HA 0.242 4.582 4.340 -0.000 0.000 0.258 295 Q C -0.592 175.368 176.000 -0.067 0.000 0.954 295 Q CA -0.280 55.488 55.803 -0.058 0.000 0.890 295 Q CB 1.770 30.476 28.738 -0.053 0.000 1.210 295 Q HN 0.324 nan 8.270 nan 0.000 0.410 296 L N 3.636 124.794 121.223 -0.108 0.000 2.506 296 L HA 0.264 4.604 4.340 -0.000 0.000 0.247 296 L C 0.068 176.863 176.870 -0.126 0.000 1.141 296 L CA -0.100 54.680 54.840 -0.099 0.000 0.973 296 L CB 0.422 42.366 42.059 -0.192 0.000 1.319 296 L HN 0.445 nan 8.230 nan 0.000 0.455 297 R N 2.970 123.386 120.500 -0.141 0.000 2.480 297 R HA 0.143 4.483 4.340 -0.000 0.000 0.303 297 R C -1.254 174.926 176.300 -0.201 0.000 0.985 297 R CA 0.198 56.126 56.100 -0.286 0.000 1.051 297 R CB 0.324 30.349 30.300 -0.458 0.000 0.935 297 R HN 0.431 nan 8.270 nan 0.000 0.410 298 L N 5.096 126.186 121.223 -0.221 0.000 2.377 298 L HA 0.265 4.605 4.340 -0.000 0.000 0.270 298 L C -0.682 176.174 176.870 -0.025 0.000 0.991 298 L CA -0.290 54.508 54.840 -0.071 0.000 0.851 298 L CB 1.618 43.613 42.059 -0.106 0.000 1.218 298 L HN 0.770 nan 8.230 nan 0.000 0.420 299 E N 3.387 123.624 120.200 0.062 0.000 2.180 299 E HA 0.297 4.647 4.350 -0.000 0.000 0.283 299 E C -1.145 175.577 176.600 0.202 0.000 1.061 299 E CA -0.324 56.208 56.400 0.221 0.000 0.861 299 E CB 1.142 31.007 29.700 0.275 0.000 1.056 299 E HN 0.359 nan 8.360 nan 0.000 0.407 300 V N 5.435 125.476 119.914 0.211 0.000 2.370 300 V HA 0.027 4.147 4.120 -0.000 0.000 0.279 300 V C 0.165 176.340 176.094 0.135 0.000 1.029 300 V CA -0.715 61.674 62.300 0.148 0.000 0.870 300 V CB 1.478 33.370 31.823 0.114 0.000 0.984 300 V HN 0.759 nan 8.190 nan 0.000 0.451 301 D N 4.354 124.822 120.400 0.113 0.000 2.426 301 D HA -0.046 4.594 4.640 -0.000 0.000 0.261 301 D C 0.030 176.377 176.300 0.078 0.000 1.245 301 D CA 0.570 54.626 54.000 0.093 0.000 0.917 301 D CB 0.268 41.115 40.800 0.079 0.000 1.123 301 D HN 0.580 nan 8.370 nan 0.000 0.508 302 N N 2.312 121.057 118.700 0.075 0.000 2.757 302 N HA 0.261 5.001 4.740 -0.000 0.000 0.296 302 N C 0.555 176.095 175.510 0.050 0.000 1.874 302 N CA -0.463 52.623 53.050 0.061 0.000 0.885 302 N CB 0.672 39.199 38.487 0.067 0.000 1.242 302 N HN 0.288 nan 8.380 nan 0.000 0.488 303 A N 0.003 122.850 122.820 0.044 0.000 1.933 303 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 303 A C 1.187 178.789 177.584 0.030 0.000 1.175 303 A CA 1.039 53.096 52.037 0.034 0.000 0.628 303 A CB -0.450 18.568 19.000 0.031 0.000 0.814 303 A HN 0.585 nan 8.150 nan 0.000 0.444 304 D N -0.287 120.133 120.400 0.032 0.000 2.346 304 D HA 0.185 4.825 4.640 -0.000 0.000 0.249 304 D C -0.174 176.145 176.300 0.031 0.000 1.308 304 D CA 0.133 54.150 54.000 0.028 0.000 0.987 304 D CB 0.276 41.093 40.800 0.028 0.000 1.114 304 D HN 0.341 nan 8.370 nan 0.000 0.529 305 E N -0.571 119.646 120.200 0.028 0.000 3.374 305 E HA 0.521 4.871 4.350 -0.000 0.000 0.223 305 E C -0.863 175.753 176.600 0.025 0.000 1.210 305 E CA -0.355 56.063 56.400 0.031 0.000 0.987 305 E CB 1.173 30.890 29.700 0.029 0.000 1.322 305 E HN 0.357 nan 8.360 nan 0.000 0.404 306 A N 2.207 125.041 122.820 0.024 0.000 2.635 306 A HA 0.326 4.646 4.320 -0.000 0.000 0.279 306 A C -0.077 177.511 177.584 0.007 0.000 1.122 306 A CA -0.147 51.900 52.037 0.016 0.000 0.965 306 A CB 0.393 19.403 19.000 0.018 0.000 1.221 306 A HN 0.340 nan 8.150 nan 0.000 0.566 307 L N 0.091 121.318 121.223 0.006 0.000 2.362 307 L HA 0.596 4.936 4.340 -0.000 0.000 0.271 307 L C -0.581 176.258 176.870 -0.051 0.000 1.002 307 L CA -0.562 54.267 54.840 -0.017 0.000 0.818 307 L CB 2.236 44.292 42.059 -0.004 0.000 1.298 307 L HN 0.057 nan 8.230 nan 0.000 0.420 308 K N 2.930 123.273 120.400 -0.096 0.000 2.581 308 K HA 0.409 4.728 4.320 -0.000 0.000 0.249 308 K C -2.688 173.781 176.600 -0.218 0.000 0.966 308 K CA -1.835 54.355 56.287 -0.162 0.000 0.811 308 K CB 2.382 34.829 32.500 -0.089 0.000 1.223 308 K HN 0.175 nan 8.250 nan 0.000 0.438 309 P HA -0.105 nan 4.420 nan 0.000 0.263 309 P C 0.745 177.937 177.300 -0.180 0.000 1.175 309 P CA 1.264 64.170 63.100 -0.325 0.000 0.761 309 P CB 0.524 31.918 31.700 -0.510 0.000 0.794 310 G N 1.328 110.050 108.800 -0.129 0.000 2.254 310 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.225 310 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.225 310 G C 0.419 175.263 174.900 -0.093 0.000 1.003 310 G CA -0.089 44.956 45.100 -0.093 0.000 0.622 310 G HN 0.445 nan 8.290 nan 0.000 0.507 311 M N 0.501 120.040 119.600 -0.101 0.000 2.081 311 M HA 0.248 4.728 4.480 -0.000 0.000 0.259 311 M C 0.316 176.536 176.300 -0.132 0.000 1.274 311 M CA 0.424 55.664 55.300 -0.100 0.000 1.103 311 M CB -0.000 32.546 32.600 -0.090 0.000 1.349 311 M HN 0.202 nan 8.290 nan 0.000 0.435 312 N N 0.280 118.886 118.700 -0.156 0.000 2.321 312 N HA 0.705 5.445 4.740 -0.000 0.000 0.299 312 N C -1.574 173.751 175.510 -0.309 0.000 1.048 312 N CA -0.400 52.492 53.050 -0.264 0.000 0.836 312 N CB 1.882 40.201 38.487 -0.281 0.000 1.269 312 N HN 0.664 nan 8.380 nan 0.000 0.486 313 A N 1.246 123.811 122.820 -0.425 0.000 2.515 313 A HA 0.681 5.001 4.320 -0.000 0.000 0.298 313 A C -1.841 175.481 177.584 -0.436 0.000 1.059 313 A CA -0.744 51.096 52.037 -0.327 0.000 0.698 313 A CB 1.062 19.973 19.000 -0.147 0.000 1.289 313 A HN 0.638 nan 8.150 nan 0.000 0.404 314 W N 1.333 122.636 121.300 0.004 0.000 2.429 314 W HA 0.570 5.230 4.660 -0.000 0.000 0.314 314 W C -0.411 176.115 176.519 0.013 0.000 1.062 314 W CA -0.495 56.856 57.345 0.011 0.000 1.211 314 W CB 1.940 31.404 29.460 0.007 0.000 1.305 314 W HN 0.558 nan 8.180 nan 0.000 0.476 315 L N 4.898 126.306 121.223 0.309 0.000 2.294 315 L HA 0.397 4.737 4.340 -0.000 0.000 0.283 315 L C -0.311 176.702 176.870 0.237 0.000 1.015 315 L CA -0.783 54.156 54.840 0.166 0.000 0.831 315 L CB 0.817 42.885 42.059 0.015 0.000 1.217 315 L HN 0.505 nan 8.230 nan 0.000 0.420 316 Q N 4.332 124.237 119.800 0.176 0.000 2.331 316 Q HA 0.572 4.912 4.340 -0.000 0.000 0.257 316 Q C -1.314 174.795 176.000 0.182 0.000 0.957 316 Q CA -0.360 55.544 55.803 0.168 0.000 0.923 316 Q CB 1.671 30.466 28.738 0.095 0.000 1.212 316 Q HN 0.663 nan 8.270 nan 0.000 0.443 317 L N 3.098 124.465 121.223 0.241 0.000 2.344 317 L HA 0.610 4.950 4.340 -0.000 0.000 0.272 317 L C -1.176 175.792 176.870 0.163 0.000 1.035 317 L CA -0.302 54.676 54.840 0.231 0.000 0.807 317 L CB 1.668 43.871 42.059 0.239 0.000 1.237 317 L HN 0.792 nan 8.230 nan 0.000 0.442 318 N N 1.921 120.685 118.700 0.108 0.000 2.776 318 N HA 0.342 5.082 4.740 -0.000 0.000 0.245 318 N C -0.941 174.567 175.510 -0.003 0.000 1.121 318 N CA -0.283 52.792 53.050 0.042 0.000 0.852 318 N CB 0.967 39.455 38.487 0.001 0.000 1.142 318 N HN 0.680 nan 8.380 nan 0.000 0.514 319 T N 0.019 114.596 114.554 0.039 0.000 2.788 319 T HA 0.771 5.121 4.350 -0.000 0.000 0.280 319 T C 0.659 175.330 174.700 -0.050 0.000 0.984 319 T CA -0.465 61.642 62.100 0.011 0.000 0.972 319 T CB 1.419 70.344 68.868 0.094 0.000 1.039 319 T HN 0.407 nan 8.240 nan 0.000 0.530 320 A N 0.598 123.376 122.820 -0.070 0.000 2.973 320 A HA 0.934 5.254 4.320 -0.000 0.000 0.267 320 A C -0.656 176.885 177.584 -0.071 0.000 1.210 320 A CA -0.484 51.453 52.037 -0.166 0.000 0.749 320 A CB 0.915 19.834 19.000 -0.136 0.000 1.373 320 A HN 1.295 nan 8.150 nan 0.000 0.585 321 S N -0.384 115.267 115.700 -0.081 0.000 2.542 321 S HA 0.471 4.941 4.470 -0.000 0.000 0.276 321 S C -0.813 173.778 174.600 -0.015 0.000 1.148 321 S CA -0.109 58.099 58.200 0.012 0.000 0.886 321 S CB 0.662 63.893 63.200 0.052 0.000 1.109 321 S HN 1.413 nan 8.310 nan 0.000 0.458 322 E N 1.615 121.828 120.200 0.022 0.000 2.604 322 E HA 0.157 4.507 4.350 -0.000 0.000 0.267 322 E C -2.407 174.160 176.600 -0.054 0.000 0.970 322 E CA -0.735 55.666 56.400 0.000 0.000 0.956 322 E CB -0.724 28.984 29.700 0.012 0.000 0.939 322 E HN 0.354 nan 8.360 nan 0.000 0.465 323 P HA 0.067 nan 4.420 nan 0.000 0.270 323 P C -0.673 176.572 177.300 -0.090 0.000 1.223 323 P CA 0.175 63.236 63.100 -0.067 0.000 0.785 323 P CB 0.569 32.242 31.700 -0.045 0.000 0.923 324 M N -0.209 119.338 119.600 -0.089 0.000 2.924 324 M HA 0.343 4.822 4.480 -0.000 0.000 0.271 324 M C -0.960 175.308 176.300 -0.054 0.000 1.280 324 M CA -0.822 54.422 55.300 -0.094 0.000 0.813 324 M CB 1.323 33.835 32.600 -0.148 0.000 1.658 324 M HN -0.007 nan 8.290 nan 0.000 0.467 325 L N 3.018 124.220 121.223 -0.035 0.000 2.295 325 L HA 0.365 4.704 4.340 -0.000 0.000 0.288 325 L C -1.065 175.801 176.870 -0.006 0.000 1.079 325 L CA -0.419 54.413 54.840 -0.014 0.000 0.830 325 L CB -0.008 42.051 42.059 0.000 0.000 1.200 325 L HN 0.340 nan 8.230 nan 0.000 0.438 326 L N 5.569 126.785 121.223 -0.012 0.000 2.289 326 L HA 0.558 4.898 4.340 -0.000 0.000 0.285 326 L C -0.053 176.816 176.870 -0.001 0.000 1.049 326 L CA -0.375 54.459 54.840 -0.009 0.000 0.804 326 L CB 1.652 43.697 42.059 -0.023 0.000 1.195 326 L HN 0.535 nan 8.230 nan 0.000 0.428 327 I N 1.696 122.269 120.570 0.005 0.000 2.828 327 I HA 0.638 4.808 4.170 -0.000 0.000 0.302 327 I C -2.727 173.393 176.117 0.005 0.000 1.101 327 I CA -2.545 58.759 61.300 0.006 0.000 1.031 327 I CB 1.963 39.970 38.000 0.012 0.000 1.231 327 I HN 0.260 nan 8.210 nan 0.000 0.427 328 P HA 0.235 nan 4.420 nan 0.000 0.271 328 P C 0.283 177.585 177.300 0.003 0.000 1.226 328 P CA -0.006 63.094 63.100 0.001 0.000 0.765 328 P CB 1.034 32.733 31.700 -0.001 0.000 0.835 329 S N 2.572 118.274 115.700 0.004 0.000 2.374 329 S HA -0.274 4.196 4.470 -0.000 0.000 0.227 329 S C 1.664 176.265 174.600 0.001 0.000 1.037 329 S CA 1.562 59.766 58.200 0.006 0.000 1.024 329 S CB -0.636 62.569 63.200 0.008 0.000 0.861 329 S HN 0.596 nan 8.310 nan 0.000 0.456 330 Q N 1.045 120.843 119.800 -0.003 0.000 2.173 330 Q HA -0.113 4.227 4.340 -0.000 0.000 0.208 330 Q C 2.200 178.194 176.000 -0.009 0.000 0.989 330 Q CA 1.545 57.343 55.803 -0.007 0.000 0.872 330 Q CB -0.423 28.311 28.738 -0.008 0.000 0.909 330 Q HN 0.630 nan 8.270 nan 0.000 0.420 331 A N 0.123 122.939 122.820 -0.006 0.000 2.235 331 A HA 0.128 4.448 4.320 -0.000 0.000 0.208 331 A C 0.705 178.285 177.584 -0.005 0.000 1.172 331 A CA 0.046 52.079 52.037 -0.008 0.000 0.786 331 A CB -0.144 18.854 19.000 -0.003 0.000 0.804 331 A HN 0.311 nan 8.150 nan 0.000 0.479 332 L N -0.475 120.746 121.223 -0.003 0.000 2.331 332 L HA 0.785 5.125 4.340 -0.000 0.000 0.275 332 L C -0.958 175.908 176.870 -0.006 0.000 1.022 332 L CA -0.890 53.950 54.840 0.000 0.000 0.812 332 L CB 1.809 43.873 42.059 0.008 0.000 1.257 332 L HN 0.181 nan 8.230 nan 0.000 0.435 333 I N 3.505 124.071 120.570 -0.006 0.000 2.692 333 I HA 0.660 4.830 4.170 -0.000 0.000 0.293 333 I C -2.154 173.958 176.117 -0.008 0.000 1.200 333 I CA 0.017 61.310 61.300 -0.012 0.000 1.036 333 I CB 1.997 39.983 38.000 -0.023 0.000 1.258 333 I HN 0.775 nan 8.210 nan 0.000 0.421 334 D N 2.821 123.215 120.400 -0.010 0.000 2.785 334 D HA 0.281 4.920 4.640 -0.000 0.000 0.239 334 D C -0.743 175.551 176.300 -0.010 0.000 1.142 334 D CA 0.005 54.001 54.000 -0.008 0.000 0.734 334 D CB 0.800 41.599 40.800 -0.003 0.000 1.820 334 D HN 0.498 nan 8.370 nan 0.000 0.461 335 T N -1.838 112.710 114.554 -0.011 0.000 3.403 335 T HA 0.637 4.986 4.350 -0.000 0.000 0.308 335 T C 0.634 175.328 174.700 -0.010 0.000 0.952 335 T CA 0.468 62.561 62.100 -0.012 0.000 0.970 335 T CB 0.333 69.193 68.868 -0.014 0.000 1.189 335 T HN 0.913 nan 8.240 nan 0.000 0.528 336 G N 0.813 109.608 108.800 -0.009 0.000 2.899 336 G HA2 0.441 4.401 3.960 -0.000 0.000 0.137 336 G HA3 0.441 4.401 3.960 -0.000 0.000 0.137 336 G C 0.387 175.283 174.900 -0.006 0.000 1.198 336 G CA 0.217 45.312 45.100 -0.008 0.000 1.126 336 G HN -0.010 nan 8.290 nan 0.000 0.589 337 S N 0.759 116.456 115.700 -0.005 0.000 2.425 337 S HA 0.074 4.543 4.470 -0.000 0.000 0.225 337 S C 0.987 175.586 174.600 -0.000 0.000 1.024 337 S CA 0.714 58.912 58.200 -0.003 0.000 0.951 337 S CB -0.211 62.988 63.200 -0.003 0.000 0.796 337 S HN 0.626 nan 8.310 nan 0.000 0.498 338 E N 2.394 122.594 120.200 -0.000 0.000 2.465 338 E HA -0.065 4.285 4.350 -0.000 0.000 0.260 338 E C -0.367 176.235 176.600 0.002 0.000 0.980 338 E CA 0.480 56.881 56.400 0.002 0.000 0.927 338 E CB 0.326 30.027 29.700 0.001 0.000 0.934 338 E HN 0.377 nan 8.360 nan 0.000 0.459 339 Q N 2.791 122.595 119.800 0.006 0.000 3.966 339 Q HA 0.175 4.515 4.340 -0.000 0.000 0.198 339 Q C -1.231 174.777 176.000 0.012 0.000 0.872 339 Q CA -0.388 55.419 55.803 0.007 0.000 0.767 339 Q CB 0.343 29.085 28.738 0.007 0.000 1.516 339 Q HN 0.746 nan 8.270 nan 0.000 0.434 340 R N -1.173 119.334 120.500 0.012 0.000 3.263 340 R HA 0.755 5.095 4.340 -0.000 0.000 0.262 340 R C -0.953 175.356 176.300 0.014 0.000 0.996 340 R CA -0.083 56.027 56.100 0.016 0.000 0.858 340 R CB 0.232 30.545 30.300 0.021 0.000 1.538 340 R HN 0.089 nan 8.270 nan 0.000 0.419 341 V N -3.136 116.791 119.914 0.020 0.000 3.089 341 V HA 0.703 4.823 4.120 -0.000 0.000 0.312 341 V C -0.998 175.114 176.094 0.030 0.000 1.433 341 V CA -1.034 61.277 62.300 0.018 0.000 1.025 341 V CB 1.699 33.531 31.823 0.015 0.000 1.077 341 V HN 0.571 nan 8.190 nan 0.000 0.478 342 I N 1.266 121.852 120.570 0.026 0.000 2.433 342 I HA 0.624 4.794 4.170 -0.000 0.000 0.292 342 I C -0.015 176.136 176.117 0.056 0.000 1.001 342 I CA 0.170 61.495 61.300 0.042 0.000 1.119 342 I CB 1.739 39.737 38.000 -0.003 0.000 1.289 342 I HN 0.899 nan 8.210 nan 0.000 0.438 343 T N 5.471 120.083 114.554 0.096 0.000 2.902 343 T HA 0.590 4.940 4.350 -0.000 0.000 0.283 343 T C -0.099 174.707 174.700 0.178 0.000 1.009 343 T CA -0.500 61.662 62.100 0.103 0.000 1.051 343 T CB 2.151 71.066 68.868 0.078 0.000 0.999 343 T HN 0.236 nan 8.240 nan 0.000 0.474 344 V N 2.593 122.598 119.914 0.153 0.000 2.448 344 V HA 0.266 4.386 4.120 -0.000 0.000 0.295 344 V C -0.185 175.951 176.094 0.070 0.000 1.025 344 V CA -0.723 61.685 62.300 0.181 0.000 0.859 344 V CB 1.746 33.693 31.823 0.206 0.000 0.988 344 V HN 0.874 nan 8.190 nan 0.000 0.431 345 D N 4.274 124.683 120.400 0.015 0.000 2.370 345 D HA 0.359 4.999 4.640 -0.000 0.000 0.230 345 D C 1.531 177.816 176.300 -0.026 0.000 1.143 345 D CA 0.743 54.735 54.000 -0.013 0.000 0.834 345 D CB 0.747 41.525 40.800 -0.036 0.000 0.944 345 D HN 0.797 nan 8.370 nan 0.000 0.504 346 A N 0.685 123.495 122.820 -0.015 0.000 4.414 346 A HA -0.318 4.002 4.320 -0.000 0.000 0.259 346 A C 1.323 178.879 177.584 -0.048 0.000 0.774 346 A CA 1.793 53.818 52.037 -0.020 0.000 1.184 346 A CB -1.595 17.397 19.000 -0.013 0.000 1.070 346 A HN 0.278 nan 8.150 nan 0.000 0.747 347 D N -0.283 120.071 120.400 -0.077 0.000 2.378 347 D HA 0.339 4.978 4.640 -0.000 0.000 0.227 347 D C 1.650 177.855 176.300 -0.157 0.000 1.012 347 D CA 1.931 55.868 54.000 -0.105 0.000 0.905 347 D CB -0.525 40.205 40.800 -0.116 0.000 0.895 347 D HN 1.775 nan 8.370 nan 0.000 0.532 348 G N 1.264 109.964 108.800 -0.168 0.000 2.148 348 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.254 348 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.254 348 G C 0.359 174.863 174.900 -0.659 0.000 0.981 348 G CA 0.435 45.387 45.100 -0.247 0.000 0.670 348 G HN 0.552 nan 8.290 nan 0.000 0.528 349 R N -1.190 118.953 120.500 -0.596 0.000 2.674 349 R HA 0.858 5.197 4.340 -0.000 0.000 0.266 349 R C -0.440 175.439 176.300 -0.701 0.000 1.016 349 R CA -0.843 54.768 56.100 -0.815 0.000 1.062 349 R CB 0.937 31.005 30.300 -0.388 0.000 1.142 349 R HN 0.108 nan 8.270 nan 0.000 0.517 350 F N -0.231 119.651 119.950 -0.114 0.000 2.661 350 F HA 0.792 5.319 4.527 -0.000 0.000 0.347 350 F C -0.275 175.506 175.800 -0.032 0.000 1.086 350 F CA -1.269 56.682 58.000 -0.080 0.000 1.016 350 F CB 1.841 40.762 39.000 -0.132 0.000 1.368 350 F HN 0.408 nan 8.300 nan 0.000 0.505 351 V N 0.853 120.900 119.914 0.223 0.000 3.036 351 V HA 0.501 4.621 4.120 -0.000 0.000 0.280 351 V C -3.101 173.060 176.094 0.112 0.000 1.497 351 V CA -1.784 60.593 62.300 0.129 0.000 0.982 351 V CB 2.468 34.338 31.823 0.078 0.000 1.171 351 V HN 0.466 nan 8.190 nan 0.000 0.444 352 P HA 0.446 nan 4.420 nan 0.000 0.282 352 P C -1.410 175.922 177.300 0.053 0.000 1.262 352 P CA -0.124 63.018 63.100 0.070 0.000 0.773 352 P CB 0.447 32.184 31.700 0.062 0.000 0.879 353 K N 3.353 123.781 120.400 0.046 0.000 2.502 353 K HA 0.293 4.613 4.320 -0.000 0.000 0.254 353 K C -0.191 176.428 176.600 0.032 0.000 0.947 353 K CA -0.688 55.621 56.287 0.037 0.000 0.834 353 K CB 2.146 34.669 32.500 0.038 0.000 1.112 353 K HN 0.355 nan 8.250 nan 0.000 0.427 354 R N 2.627 123.143 120.500 0.028 0.000 2.288 354 R HA 0.142 4.482 4.340 -0.000 0.000 0.330 354 R C 0.404 176.720 176.300 0.026 0.000 1.069 354 R CA -0.191 55.923 56.100 0.025 0.000 0.941 354 R CB 0.200 30.513 30.300 0.022 0.000 0.998 354 R HN 0.427 nan 8.270 nan 0.000 0.452 355 V N 0.904 120.834 119.914 0.027 0.000 3.193 355 V HA 0.941 5.061 4.120 -0.000 0.000 0.320 355 V C -0.554 175.559 176.094 0.032 0.000 1.112 355 V CA -0.864 61.455 62.300 0.031 0.000 1.026 355 V CB 1.891 33.734 31.823 0.033 0.000 1.128 355 V HN 0.730 nan 8.190 nan 0.000 0.452 356 A N 1.720 124.565 122.820 0.042 0.000 2.499 356 A HA 0.705 5.025 4.320 -0.000 0.000 0.280 356 A C -0.475 177.149 177.584 0.067 0.000 1.135 356 A CA -0.172 51.891 52.037 0.043 0.000 0.744 356 A CB 0.946 19.970 19.000 0.040 0.000 1.213 356 A HN 2.099 nan 8.150 nan 0.000 0.434 357 V N 1.086 121.035 119.914 0.058 0.000 2.572 357 V HA 0.388 4.508 4.120 -0.000 0.000 0.291 357 V C 0.987 177.147 176.094 0.110 0.000 1.039 357 V CA 0.062 62.415 62.300 0.088 0.000 1.055 357 V CB 0.004 31.864 31.823 0.062 0.000 0.969 357 V HN 0.812 nan 8.190 nan 0.000 0.482 358 F N 3.317 123.283 119.950 0.027 0.000 2.025 358 F HA 0.169 4.696 4.527 -0.000 0.000 0.291 358 F C 1.323 177.146 175.800 0.038 0.000 1.150 358 F CA 1.865 59.885 58.000 0.034 0.000 1.166 358 F CB 0.230 39.255 39.000 0.043 0.000 0.995 358 F HN 0.847 nan 8.300 nan 0.000 0.474 359 Q N -0.698 119.332 119.800 0.383 0.000 2.814 359 Q HA 0.693 5.033 4.340 -0.000 0.000 0.322 359 Q C -1.840 174.284 176.000 0.207 0.000 0.888 359 Q CA -0.998 54.944 55.803 0.231 0.000 0.768 359 Q CB 1.898 30.795 28.738 0.265 0.000 1.443 359 Q HN 0.278 nan 8.270 nan 0.000 0.497 360 A N 0.336 123.257 122.820 0.168 0.000 2.569 360 A HA 0.961 5.281 4.320 -0.000 0.000 0.290 360 A C -1.161 176.524 177.584 0.168 0.000 1.136 360 A CA 0.012 52.133 52.037 0.139 0.000 0.710 360 A CB 1.994 21.044 19.000 0.083 0.000 1.303 360 A HN 1.526 nan 8.150 nan 0.000 0.413 361 S N -0.574 115.202 115.700 0.126 0.000 2.680 361 S HA 0.501 4.971 4.470 -0.000 0.000 0.284 361 S C -0.091 174.543 174.600 0.057 0.000 1.055 361 S CA 0.296 58.574 58.200 0.130 0.000 0.849 361 S CB 1.050 64.420 63.200 0.284 0.000 1.068 361 S HN 1.634 nan 8.310 nan 0.000 0.453 362 Q N 0.749 120.576 119.800 0.044 0.000 2.359 362 Q HA -0.225 4.115 4.340 -0.000 0.000 0.183 362 Q C 1.057 177.060 176.000 0.006 0.000 2.894 362 Q CA 2.642 58.454 55.803 0.014 0.000 0.213 362 Q CB -2.072 26.661 28.738 -0.009 0.000 0.241 362 Q HN 2.156 nan 8.270 nan 0.000 0.390 363 G N -0.255 108.547 108.800 0.003 0.000 4.496 363 G HA2 0.396 4.355 3.960 -0.000 0.000 0.211 363 G HA3 0.396 4.355 3.960 -0.000 0.000 0.211 363 G C -0.153 174.747 174.900 0.001 0.000 0.831 363 G CA 0.567 45.668 45.100 0.001 0.000 0.815 363 G HN 0.768 nan 8.290 nan 0.000 0.528 364 V N -1.606 118.309 119.914 0.002 0.000 3.141 364 V HA 0.993 5.113 4.120 -0.000 0.000 0.312 364 V C -0.347 175.759 176.094 0.020 0.000 1.157 364 V CA -0.257 62.045 62.300 0.003 0.000 1.041 364 V CB 1.479 33.294 31.823 -0.013 0.000 1.071 364 V HN 0.713 nan 8.190 nan 0.000 0.441 365 T N -0.607 113.963 114.554 0.025 0.000 2.900 365 T HA 0.855 5.205 4.350 -0.000 0.000 0.295 365 T C -0.431 174.300 174.700 0.051 0.000 1.044 365 T CA -0.101 62.029 62.100 0.050 0.000 0.995 365 T CB 1.622 70.521 68.868 0.052 0.000 1.072 365 T HN 2.065 nan 8.240 nan 0.000 0.473 366 A N 3.807 126.678 122.820 0.085 0.000 2.258 366 A HA 0.668 4.988 4.320 -0.000 0.000 0.316 366 A C -0.402 177.255 177.584 0.121 0.000 1.279 366 A CA -0.756 51.323 52.037 0.070 0.000 0.876 366 A CB 0.066 19.090 19.000 0.040 0.000 1.170 366 A HN 0.726 nan 8.150 nan 0.000 0.520 367 L N 2.793 124.064 121.223 0.080 0.000 2.426 367 L HA 0.298 4.638 4.340 -0.000 0.000 0.271 367 L C 1.647 178.593 176.870 0.127 0.000 1.169 367 L CA 0.507 55.406 54.840 0.099 0.000 0.836 367 L CB 0.181 42.275 42.059 0.059 0.000 1.112 367 L HN 0.892 nan 8.230 nan 0.000 0.465 368 R N 1.016 121.627 120.500 0.185 0.000 2.054 368 R HA 0.166 4.506 4.340 -0.000 0.000 0.223 368 R C -0.094 176.272 176.300 0.109 0.000 1.176 368 R CA 0.702 56.928 56.100 0.209 0.000 0.934 368 R CB -0.179 30.264 30.300 0.237 0.000 0.828 368 R HN 0.596 nan 8.270 nan 0.000 0.441 369 S N -1.409 114.343 115.700 0.087 0.000 2.536 369 S HA 0.634 5.104 4.470 -0.000 0.000 0.287 369 S C -0.132 174.496 174.600 0.048 0.000 1.101 369 S CA -0.292 57.942 58.200 0.057 0.000 0.950 369 S CB 2.212 65.443 63.200 0.051 0.000 1.056 369 S HN 0.599 nan 8.310 nan 0.000 0.481 370 G N 1.481 110.304 108.800 0.038 0.000 4.314 370 G HA2 0.127 4.087 3.960 -0.000 0.000 0.131 370 G HA3 0.127 4.087 3.960 -0.000 0.000 0.131 370 G C -0.606 174.311 174.900 0.029 0.000 1.870 370 G CA -0.446 44.674 45.100 0.033 0.000 0.933 370 G HN 0.518 nan 8.290 nan 0.000 0.294 371 L N 0.843 122.083 121.223 0.027 0.000 2.687 371 L HA 0.889 5.229 4.340 -0.000 0.000 0.252 371 L C 0.260 177.142 176.870 0.019 0.000 1.115 371 L CA -0.705 54.149 54.840 0.024 0.000 0.893 371 L CB 1.534 43.607 42.059 0.023 0.000 1.670 371 L HN 0.554 nan 8.230 nan 0.000 0.531 372 A N -0.208 122.622 122.820 0.017 0.000 2.455 372 A HA 0.381 4.701 4.320 -0.000 0.000 0.300 372 A C -0.774 176.816 177.584 0.010 0.000 1.040 372 A CA -0.492 51.552 52.037 0.012 0.000 0.697 372 A CB 1.391 20.398 19.000 0.012 0.000 1.265 372 A HN 0.688 nan 8.150 nan 0.000 0.407 373 E N 0.808 121.011 120.200 0.006 0.000 2.653 373 E HA 0.238 4.588 4.350 -0.000 0.000 0.264 373 E C 1.370 177.973 176.600 0.005 0.000 0.949 373 E CA 1.772 58.174 56.400 0.003 0.000 0.953 373 E CB 0.144 29.844 29.700 -0.001 0.000 0.925 373 E HN 1.887 nan 8.360 nan 0.000 0.475 374 G N 3.620 112.423 108.800 0.005 0.000 2.336 374 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.233 374 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.233 374 G C 0.260 175.166 174.900 0.010 0.000 1.053 374 G CA 0.311 45.414 45.100 0.006 0.000 0.625 374 G HN 0.677 nan 8.290 nan 0.000 0.511 375 E N 1.612 121.819 120.200 0.012 0.000 2.529 375 E HA 0.318 4.668 4.350 -0.000 0.000 0.259 375 E C 0.570 177.183 176.600 0.021 0.000 0.966 375 E CA 0.277 56.688 56.400 0.018 0.000 0.937 375 E CB 0.293 30.005 29.700 0.020 0.000 0.923 375 E HN 0.351 nan 8.360 nan 0.000 0.468 376 K N 2.236 122.653 120.400 0.028 0.000 2.098 376 K HA 0.472 4.792 4.320 -0.000 0.000 0.261 376 K C -1.086 175.538 176.600 0.040 0.000 0.987 376 K CA -0.648 55.659 56.287 0.032 0.000 0.916 376 K CB 1.847 34.369 32.500 0.037 0.000 1.039 376 K HN 0.306 nan 8.250 nan 0.000 0.455 377 V N 2.211 122.145 119.914 0.033 0.000 3.087 377 V HA 0.288 4.408 4.120 -0.000 0.000 0.306 377 V C -1.353 174.751 176.094 0.016 0.000 1.187 377 V CA -0.915 61.402 62.300 0.027 0.000 0.999 377 V CB 2.242 34.077 31.823 0.020 0.000 1.049 377 V HN 0.509 nan 8.190 nan 0.000 0.431 378 V N 5.300 125.212 119.914 -0.003 0.000 2.498 378 V HA 0.561 4.681 4.120 -0.000 0.000 0.279 378 V C 0.959 177.044 176.094 -0.016 0.000 1.048 378 V CA 1.007 63.296 62.300 -0.019 0.000 0.967 378 V CB 1.749 33.528 31.823 -0.074 0.000 0.988 378 V HN 1.317 nan 8.190 nan 0.000 0.473 379 S N 3.836 119.531 115.700 -0.008 0.000 2.539 379 S HA 0.387 4.857 4.470 -0.000 0.000 0.221 379 S C 0.436 175.030 174.600 -0.009 0.000 0.987 379 S CA 0.324 58.520 58.200 -0.007 0.000 0.929 379 S CB 0.086 63.285 63.200 -0.002 0.000 0.832 379 S HN 1.210 nan 8.310 nan 0.000 0.492 380 S N -1.277 114.416 115.700 -0.011 0.000 2.669 380 S HA 0.599 5.069 4.470 -0.000 0.000 0.266 380 S C 0.224 174.820 174.600 -0.007 0.000 1.149 380 S CA 0.259 58.453 58.200 -0.010 0.000 0.842 380 S CB 0.586 63.785 63.200 -0.003 0.000 1.160 380 S HN 1.778 nan 8.310 nan 0.000 0.487 381 G N 0.150 108.949 108.800 -0.003 0.000 2.601 381 G HA2 0.140 4.100 3.960 -0.000 0.000 0.261 381 G HA3 0.140 4.100 3.960 -0.000 0.000 0.261 381 G C -0.644 174.255 174.900 -0.001 0.000 1.289 381 G CA 1.112 46.217 45.100 0.008 0.000 0.920 381 G HN 1.946 nan 8.290 nan 0.000 0.571 382 L N -3.861 117.382 121.223 0.034 0.000 2.966 382 L HA 0.992 5.332 4.340 -0.000 0.000 0.290 382 L C -0.363 176.619 176.870 0.187 0.000 0.933 382 L CA -0.337 54.509 54.840 0.010 0.000 1.053 382 L CB 0.511 42.513 42.059 -0.094 0.000 1.631 382 L HN 2.360 nan 8.230 nan 0.000 0.350 383 F N -1.146 118.784 119.950 -0.034 0.000 2.842 383 F HA 0.730 5.256 4.527 -0.000 0.000 0.319 383 F C -1.260 174.548 175.800 0.013 0.000 1.159 383 F CA -1.195 56.810 58.000 0.009 0.000 0.902 383 F CB 0.484 39.516 39.000 0.054 0.000 1.311 383 F HN 0.838 nan 8.300 nan 0.000 0.453 384 L N 1.066 122.408 121.223 0.199 0.000 2.469 384 L HA 0.760 5.099 4.340 -0.000 0.000 0.253 384 L C -0.686 176.275 176.870 0.152 0.000 1.143 384 L CA -0.835 54.052 54.840 0.078 0.000 0.804 384 L CB 1.028 43.146 42.059 0.097 0.000 1.214 384 L HN 0.755 nan 8.230 nan 0.000 0.476 385 I N 0.000 120.611 120.570 0.068 0.000 2.984 385 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 385 I CA 0.000 61.363 61.300 0.104 0.000 1.566 385 I CB 0.000 38.023 38.000 0.037 0.000 1.214 385 I HN 0.000 nan 8.210 nan 0.000 0.494