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 2i0r_1_B DATA FIRST_RESID 74 DATA SEQUENCE EVLTGGHSVS APQENRIYVM DSVFMHLTES RVHVYDYTNG KFLGMVPTAF DATA SEQUENCE NGHVQVSNDG KKIYTMTTYH ERITRGKRSD VVEVWDADKL TFEKEISLPP DATA SEQUENCE KRVQGLNYDG LFRQTTDGKF IVLQNASPAT SIGIVDVAKG DYVEDVTAAA DATA SEQUENCE GcWSVIPQPN RPRSFMTIcG DGGLLTINLG EDGKVASQSR SKQMFSVADD DATA SEQUENCE PIFIAPALDK DKAHFVSYYG NVYSADFSGD EVKVDGPWSL LNDEDKAKNW DATA SEQUENCE VPGGYNLVGL HRASGRMYVF MHPDGKEGTH KFPAAEIWVM DTKTKQRVAR DATA SEQUENCE IPGRDALSMT IDQQRNLMLT LDGGNVNVYD ISQPEPKLLR TIEGAAEASL DATA SEQUENCE QVQFHPVGGT 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 74 E HA 0.000 nan 4.350 nan 0.000 0.291 74 E C 0.000 176.608 176.600 0.014 0.000 1.382 74 E CA 0.000 56.406 56.400 0.010 0.000 0.976 74 E CB 0.000 29.704 29.700 0.006 0.000 0.812 75 V N 1.849 121.775 119.914 0.019 0.000 2.623 75 V HA 0.316 4.440 4.120 0.006 0.000 0.304 75 V C -0.913 175.202 176.094 0.036 0.000 1.054 75 V CA -0.821 61.494 62.300 0.025 0.000 0.882 75 V CB 1.720 33.559 31.823 0.027 0.000 1.002 75 V HN 0.566 nan 8.190 nan 0.000 0.424 76 L N 5.507 126.751 121.223 0.036 0.000 2.360 76 L HA 0.674 5.018 4.340 0.006 0.000 0.276 76 L C 0.488 177.402 176.870 0.072 0.000 1.121 76 L CA 0.958 55.827 54.840 0.048 0.000 0.845 76 L CB 1.035 43.117 42.059 0.038 0.000 1.143 76 L HN 0.968 nan 8.230 nan 0.000 0.452 77 T N 1.819 116.448 114.554 0.125 0.000 2.908 77 T HA 0.901 5.255 4.350 0.006 0.000 0.290 77 T C 0.048 174.878 174.700 0.216 0.000 1.034 77 T CA -0.280 61.914 62.100 0.158 0.000 1.010 77 T CB 1.606 70.596 68.868 0.204 0.000 1.068 77 T HN 0.770 nan 8.240 nan 0.000 0.481 78 G N -1.152 107.699 108.800 0.085 0.000 2.938 78 G HA2 0.608 4.571 3.960 0.006 0.000 0.258 78 G HA3 0.608 4.571 3.960 0.006 0.000 0.258 78 G C 0.793 175.575 174.900 -0.197 0.000 1.356 78 G CA -0.591 44.544 45.100 0.058 0.000 1.052 78 G HN 1.974 nan 8.290 nan 0.000 0.550 79 G N -1.627 107.097 108.800 -0.127 0.000 2.141 79 G HA2 -0.211 3.752 3.960 0.006 0.000 0.242 79 G HA3 -0.211 3.752 3.960 0.006 0.000 0.242 79 G C 0.314 175.071 174.900 -0.238 0.000 0.982 79 G CA 0.414 45.405 45.100 -0.181 0.000 0.662 79 G HN 0.802 nan 8.290 nan 0.000 0.527 80 H N 0.425 119.512 119.070 0.028 0.000 2.505 80 H HA 0.576 5.135 4.556 0.006 0.000 0.351 80 H C 0.409 175.751 175.328 0.025 0.000 1.151 80 H CA 0.444 56.505 56.048 0.021 0.000 1.339 80 H CB 1.461 31.232 29.762 0.016 0.000 1.483 80 H HN 0.207 nan 8.280 nan 0.000 0.558 81 S N 0.528 116.315 115.700 0.145 0.000 2.672 81 S HA 0.169 4.643 4.470 0.006 0.000 0.276 81 S C 0.260 174.899 174.600 0.064 0.000 1.207 81 S CA -0.887 57.364 58.200 0.085 0.000 1.002 81 S CB 1.422 64.655 63.200 0.056 0.000 0.998 81 S HN 0.292 nan 8.310 nan 0.000 0.542 82 V N 3.077 123.011 119.914 0.033 0.000 2.694 82 V HA -0.026 4.098 4.120 0.006 0.000 0.306 82 V C 1.655 177.735 176.094 -0.022 0.000 1.054 82 V CA 0.745 63.039 62.300 -0.010 0.000 1.161 82 V CB 0.814 32.623 31.823 -0.024 0.000 0.916 82 V HN 1.137 nan 8.190 nan 0.000 0.490 83 S N 3.556 119.231 115.700 -0.043 0.000 2.406 83 S HA 0.113 4.586 4.470 0.006 0.000 0.228 83 S C 0.863 175.434 174.600 -0.048 0.000 1.020 83 S CA 0.459 58.634 58.200 -0.041 0.000 0.965 83 S CB 0.015 63.184 63.200 -0.052 0.000 0.798 83 S HN 1.086 nan 8.310 nan 0.000 0.488 84 A N 3.035 125.816 122.820 -0.065 0.000 2.303 84 A HA 0.738 5.062 4.320 0.006 0.000 0.317 84 A C -2.464 175.077 177.584 -0.072 0.000 1.149 84 A CA -2.208 49.786 52.037 -0.071 0.000 0.822 84 A CB 0.463 19.410 19.000 -0.088 0.000 1.131 84 A HN 0.354 nan 8.150 nan 0.000 0.493 85 P HA 0.102 nan 4.420 nan 0.000 0.274 85 P C 0.189 177.429 177.300 -0.100 0.000 1.246 85 P CA -0.073 62.986 63.100 -0.069 0.000 0.795 85 P CB 0.659 32.331 31.700 -0.047 0.000 1.006 86 Q N 0.611 120.317 119.800 -0.156 0.000 2.112 86 Q HA -0.212 4.132 4.340 0.006 0.000 0.206 86 Q C 1.812 177.732 176.000 -0.135 0.000 0.987 86 Q CA 1.732 57.332 55.803 -0.339 0.000 0.858 86 Q CB -0.169 28.272 28.738 -0.494 0.000 0.905 86 Q HN 0.614 nan 8.270 nan 0.000 0.420 87 E N 0.298 120.493 120.200 -0.010 0.000 2.401 87 E HA -0.168 4.186 4.350 0.006 0.000 0.199 87 E C 0.637 177.358 176.600 0.202 0.000 1.023 87 E CA 0.896 57.366 56.400 0.117 0.000 0.859 87 E CB -0.141 29.611 29.700 0.088 0.000 0.780 87 E HN 0.302 nan 8.360 nan 0.000 0.523 88 N N 0.493 119.238 118.700 0.075 0.000 2.299 88 N HA 0.071 4.815 4.740 0.006 0.000 0.187 88 N C -0.081 175.498 175.510 0.114 0.000 1.099 88 N CA 0.084 53.121 53.050 -0.022 0.000 0.867 88 N CB 0.350 38.748 38.487 -0.148 0.000 0.974 88 N HN 0.138 nan 8.380 nan 0.000 0.477 89 R N 0.705 121.297 120.500 0.154 0.000 2.404 89 R HA 0.533 4.876 4.340 0.006 0.000 0.291 89 R C 0.103 176.437 176.300 0.056 0.000 1.025 89 R CA -0.468 55.647 56.100 0.025 0.000 0.991 89 R CB 1.483 31.721 30.300 -0.103 0.000 1.053 89 R HN 0.114 nan 8.270 nan 0.000 0.479 90 I N -1.729 118.730 120.570 -0.185 0.000 3.042 90 I HA 0.511 4.684 4.170 0.006 0.000 0.310 90 I C -1.378 174.430 176.117 -0.515 0.000 1.117 90 I CA -1.322 59.824 61.300 -0.257 0.000 1.003 90 I CB 2.072 39.933 38.000 -0.231 0.000 1.228 90 I HN 0.446 nan 8.210 nan 0.000 0.443 91 Y N 2.921 123.234 120.300 0.022 0.000 2.326 91 Y HA 0.579 5.133 4.550 0.006 0.000 0.329 91 Y C -0.521 175.391 175.900 0.020 0.000 0.973 91 Y CA -0.935 57.187 58.100 0.035 0.000 1.162 91 Y CB 2.149 40.616 38.460 0.013 0.000 1.147 91 Y HN 0.269 nan 8.280 nan 0.000 0.456 92 V N 5.181 125.194 119.914 0.165 0.000 2.333 92 V HA 0.218 4.342 4.120 0.006 0.000 0.274 92 V C -0.021 176.095 176.094 0.038 0.000 1.028 92 V CA -0.725 61.635 62.300 0.099 0.000 0.851 92 V CB 1.095 33.007 31.823 0.148 0.000 1.000 92 V HN 0.708 nan 8.190 nan 0.000 0.456 93 M N 4.852 124.441 119.600 -0.018 0.000 2.264 93 M HA 0.314 4.798 4.480 0.006 0.000 0.340 93 M C -0.304 175.911 176.300 -0.142 0.000 1.420 93 M CA -0.155 55.092 55.300 -0.087 0.000 1.254 93 M CB -0.067 32.474 32.600 -0.098 0.000 1.575 93 M HN 0.571 nan 8.290 nan 0.000 0.452 94 D N 2.260 122.537 120.400 -0.205 0.000 2.365 94 D HA 0.151 4.794 4.640 0.006 0.000 0.237 94 D C 0.863 177.063 176.300 -0.167 0.000 1.190 94 D CA 0.187 54.065 54.000 -0.204 0.000 0.867 94 D CB 1.016 41.612 40.800 -0.340 0.000 1.050 94 D HN 0.747 nan 8.370 nan 0.000 0.491 95 S N 2.194 117.813 115.700 -0.135 0.000 2.423 95 S HA -0.122 4.352 4.470 0.006 0.000 0.231 95 S C 1.087 175.649 174.600 -0.064 0.000 1.014 95 S CA 0.412 58.543 58.200 -0.115 0.000 0.965 95 S CB -0.414 62.733 63.200 -0.088 0.000 0.785 95 S HN 0.508 nan 8.310 nan 0.000 0.495 96 V N 1.761 121.659 119.914 -0.026 0.000 5.830 96 V HA -0.231 3.893 4.120 0.006 0.000 0.274 96 V C 0.766 176.874 176.094 0.023 0.000 0.632 96 V CA 0.945 63.257 62.300 0.019 0.000 0.594 96 V CB -2.985 28.856 31.823 0.030 0.000 0.249 96 V HN 0.607 nan 8.190 nan 0.000 0.697 97 F N 0.844 120.727 119.950 -0.112 0.000 2.202 97 F HA -0.185 4.337 4.527 -0.007 0.000 0.301 97 F C 2.077 177.793 175.800 -0.140 0.000 1.082 97 F CA 2.417 60.342 58.000 -0.126 0.000 1.313 97 F CB 0.078 39.005 39.000 -0.122 0.000 1.024 97 F HN 0.353 nan 8.300 nan 0.000 0.495 98 M N -1.043 118.484 119.600 -0.121 0.000 2.358 98 M HA -0.130 4.354 4.480 0.006 0.000 0.264 98 M C 0.130 175.950 176.300 -0.801 0.000 1.064 98 M CA 1.453 56.519 55.300 -0.389 0.000 1.093 98 M CB -0.873 31.539 32.600 -0.313 0.000 1.401 98 M HN 0.127 nan 8.290 nan 0.000 0.440 99 H N -0.420 118.602 119.070 -0.079 0.000 2.511 99 H HA 0.191 4.753 4.556 0.008 0.000 0.228 99 H C 0.622 175.911 175.328 -0.065 0.000 1.424 99 H CA -0.389 55.624 56.048 -0.058 0.000 1.321 99 H CB 0.320 30.069 29.762 -0.021 0.000 1.720 99 H HN 0.099 nan 8.280 nan 0.000 0.512 100 L N 1.994 123.165 121.223 -0.087 0.000 2.456 100 L HA -0.069 4.275 4.340 0.006 0.000 0.224 100 L C 2.243 179.084 176.870 -0.048 0.000 1.148 100 L CA 1.634 56.380 54.840 -0.157 0.000 0.825 100 L CB -0.307 41.539 42.059 -0.355 0.000 0.937 100 L HN 0.415 nan 8.230 nan 0.000 0.450 101 T N -4.121 110.523 114.554 0.150 0.000 3.113 101 T HA -0.097 4.257 4.350 0.006 0.000 0.263 101 T C 1.213 175.976 174.700 0.105 0.000 1.143 101 T CA 0.831 63.059 62.100 0.213 0.000 1.090 101 T CB -0.291 68.699 68.868 0.203 0.000 0.922 101 T HN 0.500 nan 8.240 nan 0.000 0.521 102 E N 1.868 122.108 120.200 0.066 0.000 3.167 102 E HA 0.226 4.580 4.350 0.006 0.000 0.210 102 E C -0.089 176.517 176.600 0.009 0.000 1.004 102 E CA -0.375 56.053 56.400 0.047 0.000 1.256 102 E CB 0.469 30.204 29.700 0.057 0.000 1.193 102 E HN 0.637 nan 8.360 nan 0.000 0.448 103 S N 1.230 116.907 115.700 -0.039 0.000 2.576 103 S HA 0.261 4.735 4.470 0.006 0.000 0.272 103 S C 0.225 174.773 174.600 -0.086 0.000 1.352 103 S CA -0.450 57.698 58.200 -0.087 0.000 1.021 103 S CB 1.101 64.216 63.200 -0.141 0.000 0.887 103 S HN 0.391 nan 8.310 nan 0.000 0.542 104 R N -0.399 120.018 120.500 -0.137 0.000 2.712 104 R HA 0.487 4.831 4.340 0.006 0.000 0.272 104 R C -2.201 173.978 176.300 -0.202 0.000 1.032 104 R CA -0.902 55.114 56.100 -0.139 0.000 0.874 104 R CB 0.427 30.690 30.300 -0.062 0.000 1.256 104 R HN 0.492 nan 8.270 nan 0.000 0.468 105 V N 2.374 122.207 119.914 -0.136 0.000 2.407 105 V HA 0.348 4.472 4.120 0.006 0.000 0.278 105 V C -0.314 175.812 176.094 0.055 0.000 1.037 105 V CA -0.666 61.596 62.300 -0.064 0.000 0.900 105 V CB 0.920 32.732 31.823 -0.019 0.000 0.983 105 V HN 0.560 nan 8.190 nan 0.000 0.459 106 H N 3.062 122.202 119.070 0.116 0.000 2.488 106 H HA 0.504 5.065 4.556 0.008 0.000 0.322 106 H C -0.403 174.925 175.328 -0.001 0.000 1.078 106 H CA -0.708 55.418 56.048 0.131 0.000 1.260 106 H CB 1.784 31.780 29.762 0.391 0.000 1.425 106 H HN 0.400 nan 8.280 nan 0.000 0.471 107 V N 5.582 125.378 119.914 -0.195 0.000 2.370 107 V HA 0.221 4.345 4.120 0.006 0.000 0.279 107 V C -0.430 175.352 176.094 -0.519 0.000 1.029 107 V CA -0.546 61.541 62.300 -0.355 0.000 0.870 107 V CB 0.032 31.648 31.823 -0.345 0.000 0.984 107 V HN 0.603 nan 8.190 nan 0.000 0.451 108 Y N 1.463 121.605 120.300 -0.264 0.000 2.562 108 Y HA 0.455 5.008 4.550 0.006 0.000 0.343 108 Y C 0.177 175.991 175.900 -0.144 0.000 1.025 108 Y CA -0.910 57.097 58.100 -0.156 0.000 1.082 108 Y CB 1.754 40.185 38.460 -0.048 0.000 1.264 108 Y HN 0.551 nan 8.280 nan 0.000 0.478 109 D N 1.275 121.721 120.400 0.076 0.000 2.347 109 D HA 0.012 4.656 4.640 0.006 0.000 0.235 109 D C 0.291 176.610 176.300 0.031 0.000 1.149 109 D CA -0.251 53.745 54.000 -0.007 0.000 0.850 109 D CB 0.632 41.394 40.800 -0.064 0.000 1.061 109 D HN 0.610 nan 8.370 nan 0.000 0.487 110 Y N 1.791 122.109 120.300 0.030 0.000 2.509 110 Y HA -0.056 4.498 4.550 0.007 0.000 0.293 110 Y C 1.963 177.881 175.900 0.030 0.000 1.133 110 Y CA 1.221 59.331 58.100 0.016 0.000 1.283 110 Y CB -0.701 37.770 38.460 0.017 0.000 1.001 110 Y HN 0.294 nan 8.280 nan 0.000 0.555 111 T N -1.500 112.737 114.554 -0.527 0.000 3.023 111 T HA -0.075 4.279 4.350 0.006 0.000 0.266 111 T C 0.973 175.596 174.700 -0.127 0.000 1.093 111 T CA 1.116 63.000 62.100 -0.360 0.000 1.129 111 T CB -0.465 68.158 68.868 -0.409 0.000 0.899 111 T HN 0.632 nan 8.240 nan 0.000 0.491 112 N N -0.533 118.118 118.700 -0.083 0.000 2.036 112 N HA 0.242 4.985 4.740 0.006 0.000 0.228 112 N C 1.274 176.793 175.510 0.015 0.000 1.368 112 N CA 0.307 53.340 53.050 -0.030 0.000 0.846 112 N CB -0.052 38.413 38.487 -0.037 0.000 1.145 112 N HN 0.502 nan 8.380 nan 0.000 0.502 113 G N 0.840 109.669 108.800 0.048 0.000 2.162 113 G HA2 -0.377 3.586 3.960 0.006 0.000 0.260 113 G HA3 -0.377 3.586 3.960 0.006 0.000 0.260 113 G C -0.137 174.914 174.900 0.252 0.000 0.976 113 G CA 0.563 45.729 45.100 0.111 0.000 0.655 113 G HN 0.683 nan 8.290 nan 0.000 0.533 114 K N 0.005 120.507 120.400 0.169 0.000 2.368 114 K HA 0.451 4.775 4.320 0.006 0.000 0.282 114 K C -0.012 176.642 176.600 0.090 0.000 1.035 114 K CA -0.850 55.515 56.287 0.129 0.000 0.973 114 K CB 0.103 32.619 32.500 0.026 0.000 0.957 114 K HN 0.084 nan 8.250 nan 0.000 0.474 115 F N 5.866 125.691 119.950 -0.209 0.000 2.467 115 F HA 0.120 4.650 4.527 0.005 0.000 0.362 115 F C 0.317 175.904 175.800 -0.354 0.000 1.090 115 F CA -0.059 57.566 58.000 -0.626 0.000 1.202 115 F CB 0.470 39.138 39.000 -0.552 0.000 1.113 115 F HN 0.530 nan 8.300 nan 0.000 0.541 116 L N 4.938 125.634 121.223 -0.879 0.000 2.575 116 L HA 0.483 4.827 4.340 0.006 0.000 0.228 116 L C 1.005 177.525 176.870 -0.584 0.000 1.075 116 L CA 0.393 54.911 54.840 -0.537 0.000 0.867 116 L CB -0.188 41.647 42.059 -0.373 0.000 1.097 116 L HN 0.862 nan 8.230 nan 0.000 0.485 117 G N 0.479 108.648 108.800 -1.052 0.000 2.343 117 G HA2 0.360 4.323 3.960 0.006 0.000 0.289 117 G HA3 0.360 4.323 3.960 0.006 0.000 0.289 117 G C -1.545 173.039 174.900 -0.526 0.000 1.295 117 G CA -0.300 44.444 45.100 -0.594 0.000 0.869 117 G HN -0.037 nan 8.290 nan 0.000 0.522 118 M N -1.834 117.695 119.600 -0.119 0.000 2.682 118 M HA 0.787 5.271 4.480 0.006 0.000 0.272 118 M C -1.738 174.550 176.300 -0.019 0.000 1.232 118 M CA -1.097 54.221 55.300 0.030 0.000 0.849 118 M CB 2.172 34.939 32.600 0.278 0.000 1.695 118 M HN 0.707 nan 8.290 nan 0.000 0.481 119 V N 1.855 121.702 119.914 -0.112 0.000 2.483 119 V HA 0.582 4.705 4.120 0.006 0.000 0.297 119 V C -2.364 173.552 176.094 -0.296 0.000 1.027 119 V CA -1.325 60.729 62.300 -0.408 0.000 0.855 119 V CB 1.915 33.307 31.823 -0.718 0.000 0.995 119 V HN 0.715 nan 8.190 nan 0.000 0.424 120 P HA 0.242 nan 4.420 nan 0.000 0.276 120 P C 0.207 177.472 177.300 -0.058 0.000 1.230 120 P CA 0.037 63.112 63.100 -0.041 0.000 0.776 120 P CB 1.084 32.843 31.700 0.098 0.000 0.888 121 T N -1.012 113.514 114.554 -0.047 0.000 3.399 121 T HA 0.537 4.891 4.350 0.006 0.000 0.305 121 T C 0.709 175.358 174.700 -0.085 0.000 0.983 121 T CA 0.303 62.366 62.100 -0.061 0.000 0.967 121 T CB -0.455 68.351 68.868 -0.103 0.000 1.186 121 T HN 0.598 nan 8.240 nan 0.000 0.504 122 A N 1.899 124.690 122.820 -0.047 0.000 5.584 122 A HA -0.167 4.157 4.320 0.006 0.000 0.303 122 A C -0.026 177.546 177.584 -0.019 0.000 1.923 122 A CA 0.810 52.809 52.037 -0.063 0.000 0.717 122 A CB -1.757 17.045 19.000 -0.329 0.000 1.281 122 A HN 1.146 nan 8.150 nan 0.000 0.379 123 F N 2.372 122.231 119.950 -0.151 0.000 2.444 123 F HA 0.480 5.002 4.527 -0.008 0.000 0.360 123 F C 0.990 176.757 175.800 -0.055 0.000 1.106 123 F CA 0.589 58.544 58.000 -0.076 0.000 1.170 123 F CB -0.145 38.831 39.000 -0.040 0.000 1.113 123 F HN 1.006 nan 8.300 nan 0.000 0.521 124 N N 3.722 122.034 118.700 -0.648 0.000 2.688 124 N HA -0.187 4.557 4.740 0.006 0.000 0.258 124 N C -0.149 175.274 175.510 -0.145 0.000 1.016 124 N CA 0.748 53.508 53.050 -0.482 0.000 0.747 124 N CB -0.906 37.168 38.487 -0.687 0.000 0.895 124 N HN 0.995 nan 8.380 nan 0.000 0.543 125 G N 0.806 109.525 108.800 -0.136 0.000 2.544 125 G HA2 0.257 4.221 3.960 0.006 0.000 0.242 125 G HA3 0.257 4.221 3.960 0.006 0.000 0.242 125 G C -0.431 174.432 174.900 -0.063 0.000 1.247 125 G CA -0.248 44.808 45.100 -0.072 0.000 0.840 125 G HN 0.619 nan 8.290 nan 0.000 0.578 126 H N -0.879 118.068 119.070 -0.206 0.000 2.670 126 H HA 0.635 5.193 4.556 0.003 0.000 0.361 126 H C -0.931 174.349 175.328 -0.079 0.000 1.169 126 H CA -0.666 55.282 56.048 -0.167 0.000 1.198 126 H CB 2.622 32.214 29.762 -0.285 0.000 1.700 126 H HN 0.412 nan 8.280 nan 0.000 0.542 127 V N 1.956 122.020 119.914 0.251 0.000 3.012 127 V HA 0.316 4.440 4.120 0.006 0.000 0.307 127 V C -1.590 174.701 176.094 0.327 0.000 1.166 127 V CA -0.419 62.056 62.300 0.292 0.000 0.974 127 V CB 2.424 34.280 31.823 0.055 0.000 1.040 127 V HN 0.992 nan 8.190 nan 0.000 0.428 128 Q N 3.708 123.635 119.800 0.211 0.000 2.534 128 Q HA 0.791 5.135 4.340 0.006 0.000 0.290 128 Q C -2.122 173.749 176.000 -0.215 0.000 0.991 128 Q CA -0.933 54.853 55.803 -0.029 0.000 0.783 128 Q CB 2.395 31.065 28.738 -0.112 0.000 1.470 128 Q HN 0.489 nan 8.270 nan 0.000 0.406 129 V N 1.636 121.354 119.914 -0.328 0.000 2.532 129 V HA 0.411 4.534 4.120 0.006 0.000 0.295 129 V C 0.245 176.056 176.094 -0.472 0.000 1.041 129 V CA -0.487 61.512 62.300 -0.503 0.000 0.926 129 V CB 1.509 32.982 31.823 -0.582 0.000 0.992 129 V HN 0.920 nan 8.190 nan 0.000 0.457 130 S N 3.050 118.342 115.700 -0.680 0.000 2.563 130 S HA 0.040 4.514 4.470 0.006 0.000 0.284 130 S C 0.937 175.405 174.600 -0.219 0.000 1.331 130 S CA -0.263 57.647 58.200 -0.484 0.000 1.047 130 S CB 0.235 63.135 63.200 -0.499 0.000 0.859 130 S HN 0.692 nan 8.310 nan 0.000 0.514 131 N N 2.135 120.781 118.700 -0.090 0.000 2.205 131 N HA -0.121 4.623 4.740 0.006 0.000 0.186 131 N C 1.113 176.600 175.510 -0.040 0.000 1.015 131 N CA 1.544 54.563 53.050 -0.051 0.000 0.862 131 N CB -0.547 37.934 38.487 -0.010 0.000 0.986 131 N HN 0.941 nan 8.380 nan 0.000 0.429 132 D N -1.004 119.374 120.400 -0.037 0.000 2.349 132 D HA 0.071 4.715 4.640 0.006 0.000 0.224 132 D C 1.209 177.513 176.300 0.007 0.000 1.029 132 D CA 0.704 54.698 54.000 -0.009 0.000 0.879 132 D CB -0.508 40.291 40.800 -0.001 0.000 0.906 132 D HN 0.203 nan 8.370 nan 0.000 0.528 133 G N 0.617 109.393 108.800 -0.040 0.000 2.168 133 G HA2 -0.402 3.562 3.960 0.006 0.000 0.263 133 G HA3 -0.402 3.562 3.960 0.006 0.000 0.263 133 G C 1.083 176.058 174.900 0.126 0.000 0.977 133 G CA 0.665 45.785 45.100 0.033 0.000 0.659 133 G HN 0.484 nan 8.290 nan 0.000 0.533 134 K N -0.811 119.600 120.400 0.018 0.000 2.262 134 K HA 0.119 4.442 4.320 0.006 0.000 0.200 134 K C 0.822 177.427 176.600 0.007 0.000 1.049 134 K CA 0.685 56.995 56.287 0.038 0.000 0.979 134 K CB 0.109 32.620 32.500 0.018 0.000 0.773 134 K HN 0.172 nan 8.250 nan 0.000 0.474 135 K N 0.790 121.120 120.400 -0.117 0.000 2.435 135 K HA 0.428 4.752 4.320 0.006 0.000 0.251 135 K C -0.615 175.779 176.600 -0.343 0.000 0.954 135 K CA -0.581 55.613 56.287 -0.155 0.000 0.820 135 K CB 2.203 34.623 32.500 -0.133 0.000 1.292 135 K HN -0.086 nan 8.250 nan 0.000 0.436 136 I N 2.218 122.687 120.570 -0.168 0.000 2.377 136 I HA 0.324 4.498 4.170 0.006 0.000 0.293 136 I C -0.546 175.583 176.117 0.020 0.000 0.987 136 I CA -0.852 60.318 61.300 -0.217 0.000 1.185 136 I CB 0.776 38.698 38.000 -0.130 0.000 1.341 136 I HN 0.366 nan 8.210 nan 0.000 0.455 137 Y N 3.873 124.223 120.300 0.083 0.000 2.341 137 Y HA 0.466 5.019 4.550 0.006 0.000 0.337 137 Y C 0.708 176.816 175.900 0.348 0.000 1.014 137 Y CA -0.955 57.283 58.100 0.229 0.000 1.111 137 Y CB 1.945 40.490 38.460 0.141 0.000 1.194 137 Y HN 0.509 nan 8.280 nan 0.000 0.462 138 T N 1.257 116.119 114.554 0.514 0.000 2.924 138 T HA 0.683 5.037 4.350 0.006 0.000 0.291 138 T C -0.765 174.009 174.700 0.124 0.000 1.045 138 T CA -1.024 61.247 62.100 0.285 0.000 1.015 138 T CB 2.194 71.136 68.868 0.123 0.000 1.103 138 T HN 0.704 nan 8.240 nan 0.000 0.496 139 M N 2.061 121.509 119.600 -0.253 0.000 2.327 139 M HA 0.612 5.095 4.480 0.006 0.000 0.298 139 M C -1.181 175.003 176.300 -0.192 0.000 1.065 139 M CA -0.134 54.947 55.300 -0.364 0.000 0.916 139 M CB 1.968 33.976 32.600 -0.985 0.000 1.630 139 M HN 1.037 nan 8.290 nan 0.000 0.442 140 T N 1.548 116.037 114.554 -0.107 0.000 2.711 140 T HA 0.619 4.973 4.350 0.006 0.000 0.302 140 T C -1.575 173.051 174.700 -0.123 0.000 1.373 140 T CA -0.324 61.702 62.100 -0.123 0.000 1.000 140 T CB 2.176 70.924 68.868 -0.200 0.000 1.483 140 T HN 0.694 nan 8.240 nan 0.000 0.499 141 T N 2.150 116.616 114.554 -0.147 0.000 2.841 141 T HA 0.686 5.040 4.350 0.006 0.000 0.285 141 T C -1.567 172.974 174.700 -0.264 0.000 0.991 141 T CA -0.244 61.785 62.100 -0.118 0.000 0.966 141 T CB 0.531 69.415 68.868 0.027 0.000 0.962 141 T HN 0.435 nan 8.240 nan 0.000 0.438 142 Y N 1.492 121.746 120.300 -0.077 0.000 2.528 142 Y HA 0.565 5.120 4.550 0.009 0.000 0.335 142 Y C 0.909 176.644 175.900 -0.276 0.000 1.093 142 Y CA -1.004 57.057 58.100 -0.065 0.000 1.134 142 Y CB 1.499 39.937 38.460 -0.036 0.000 1.253 142 Y HN 0.576 nan 8.280 nan 0.000 0.478 143 H N -0.035 119.122 119.070 0.145 0.000 2.865 143 H HA 0.208 4.766 4.556 0.002 0.000 0.372 143 H C -0.035 175.328 175.328 0.058 0.000 1.173 143 H CA -0.647 55.438 56.048 0.062 0.000 1.147 143 H CB 2.156 31.916 29.762 -0.004 0.000 1.805 143 H HN 0.787 nan 8.280 nan 0.000 0.553 144 E N 0.684 120.972 120.200 0.147 0.000 2.118 144 E HA -0.136 4.218 4.350 0.006 0.000 0.195 144 E C 0.576 177.217 176.600 0.068 0.000 0.992 144 E CA 1.021 57.465 56.400 0.073 0.000 0.804 144 E CB 0.344 30.071 29.700 0.045 0.000 0.741 144 E HN 0.209 nan 8.360 nan 0.000 0.458 145 R N -0.416 120.131 120.500 0.077 0.000 2.659 145 R HA 0.282 4.626 4.340 0.006 0.000 0.418 145 R C 0.698 177.021 176.300 0.038 0.000 1.076 145 R CA -0.123 56.004 56.100 0.045 0.000 1.093 145 R CB 0.149 30.460 30.300 0.018 0.000 1.400 145 R HN 0.207 nan 8.270 nan 0.000 0.583 146 I N -0.800 119.822 120.570 0.087 0.000 4.713 146 I HA -0.462 3.711 4.170 0.006 0.000 0.044 146 I C 1.343 177.403 176.117 -0.095 0.000 0.627 146 I CA 2.476 63.814 61.300 0.063 0.000 0.714 146 I CB -1.425 36.604 38.000 0.048 0.000 0.668 146 I HN 0.246 nan 8.210 nan 0.000 0.156 147 T N 0.282 114.763 114.554 -0.122 0.000 3.069 147 T HA 0.363 4.717 4.350 0.006 0.000 0.252 147 T C 0.376 174.949 174.700 -0.211 0.000 1.053 147 T CA 0.260 62.237 62.100 -0.204 0.000 0.964 147 T CB -0.022 68.773 68.868 -0.122 0.000 1.005 147 T HN 0.744 nan 8.240 nan 0.000 0.532 148 R N -0.709 119.701 120.500 -0.151 0.000 2.766 148 R HA 0.682 5.026 4.340 0.006 0.000 0.270 148 R C -0.101 176.187 176.300 -0.020 0.000 1.035 148 R CA -0.602 55.435 56.100 -0.105 0.000 0.911 148 R CB 0.508 30.773 30.300 -0.058 0.000 1.243 148 R HN 0.367 nan 8.270 nan 0.000 0.460 149 G N 0.230 109.041 108.800 0.017 0.000 2.710 149 G HA2 -0.158 3.806 3.960 0.006 0.000 0.668 149 G HA3 -0.158 3.806 3.960 0.006 0.000 0.668 149 G C -1.203 173.780 174.900 0.139 0.000 1.320 149 G CA -0.295 44.843 45.100 0.064 0.000 0.860 149 G HN 0.551 nan 8.290 nan 0.000 0.538 150 K N -0.001 120.456 120.400 0.095 0.000 2.401 150 K HA 0.423 4.747 4.320 0.006 0.000 0.278 150 K C 0.952 177.580 176.600 0.047 0.000 1.018 150 K CA 0.543 56.873 56.287 0.073 0.000 0.981 150 K CB 0.802 33.317 32.500 0.025 0.000 0.933 150 K HN 0.877 nan 8.250 nan 0.000 0.477 151 R N 2.101 122.587 120.500 -0.024 0.000 2.340 151 R HA 0.204 4.548 4.340 0.006 0.000 0.300 151 R C -0.855 175.336 176.300 -0.182 0.000 1.069 151 R CA 0.150 56.052 56.100 -0.330 0.000 0.984 151 R CB 0.666 30.814 30.300 -0.252 0.000 1.003 151 R HN 0.671 nan 8.270 nan 0.000 0.459 152 S N 3.587 119.183 115.700 -0.173 0.000 2.733 152 S HA 0.198 4.672 4.470 0.006 0.000 0.307 152 S C -1.486 173.115 174.600 0.001 0.000 1.127 152 S CA -0.909 57.267 58.200 -0.039 0.000 1.097 152 S CB 1.336 64.552 63.200 0.027 0.000 1.003 152 S HN 0.562 nan 8.310 nan 0.000 0.477 153 D N 2.649 123.031 120.400 -0.030 0.000 2.256 153 D HA 0.528 5.172 4.640 0.006 0.000 0.250 153 D C 0.036 176.353 176.300 0.029 0.000 1.093 153 D CA -0.120 53.870 54.000 -0.016 0.000 0.882 153 D CB 1.549 42.319 40.800 -0.051 0.000 1.185 153 D HN 0.382 nan 8.370 nan 0.000 0.437 154 V N -0.805 119.151 119.914 0.070 0.000 3.114 154 V HA 0.654 4.778 4.120 0.006 0.000 0.308 154 V C -0.685 175.480 176.094 0.119 0.000 1.168 154 V CA -0.927 61.448 62.300 0.124 0.000 1.015 154 V CB 1.873 33.834 31.823 0.229 0.000 1.050 154 V HN 0.185 nan 8.190 nan 0.000 0.433 155 V N 2.198 122.208 119.914 0.160 0.000 2.472 155 V HA 0.553 4.677 4.120 0.006 0.000 0.290 155 V C 0.006 176.271 176.094 0.284 0.000 1.037 155 V CA -0.241 62.188 62.300 0.214 0.000 0.908 155 V CB 1.440 33.391 31.823 0.214 0.000 0.985 155 V HN 1.043 nan 8.190 nan 0.000 0.454 156 E N 2.826 123.263 120.200 0.395 0.000 2.212 156 E HA 0.581 4.935 4.350 0.006 0.000 0.268 156 E C -1.444 175.469 176.600 0.521 0.000 0.902 156 E CA -0.732 55.973 56.400 0.508 0.000 0.779 156 E CB 2.639 32.829 29.700 0.816 0.000 1.172 156 E HN 0.407 nan 8.360 nan 0.000 0.409 157 V N 2.743 122.835 119.914 0.297 0.000 2.370 157 V HA 0.315 4.439 4.120 0.006 0.000 0.283 157 V C -1.003 175.155 176.094 0.108 0.000 1.023 157 V CA -0.684 61.796 62.300 0.301 0.000 0.857 157 V CB 0.287 32.202 31.823 0.154 0.000 0.985 157 V HN 0.594 nan 8.190 nan 0.000 0.443 158 W N 1.895 123.241 121.300 0.076 0.000 2.666 158 W HA 0.474 5.138 4.660 0.006 0.000 0.334 158 W C -0.072 176.455 176.519 0.014 0.000 1.051 158 W CA -0.895 56.480 57.345 0.049 0.000 1.224 158 W CB 1.215 30.741 29.460 0.110 0.000 1.405 158 W HN 0.571 nan 8.180 nan 0.000 0.513 159 D N 1.249 121.762 120.400 0.189 0.000 2.383 159 D HA 0.328 4.972 4.640 0.006 0.000 0.252 159 D C 1.076 177.489 176.300 0.189 0.000 1.166 159 D CA 0.464 54.544 54.000 0.133 0.000 0.879 159 D CB 1.541 42.388 40.800 0.078 0.000 1.164 159 D HN 0.426 nan 8.370 nan 0.000 0.462 160 A N 3.719 126.630 122.820 0.152 0.000 1.930 160 A HA -0.145 4.179 4.320 0.006 0.000 0.217 160 A C 1.672 179.367 177.584 0.184 0.000 1.175 160 A CA 1.224 53.380 52.037 0.199 0.000 0.627 160 A CB -0.175 18.985 19.000 0.268 0.000 0.815 160 A HN 0.660 nan 8.150 nan 0.000 0.443 161 D N -0.610 119.867 120.400 0.128 0.000 2.213 161 D HA -0.010 4.633 4.640 0.006 0.000 0.205 161 D C 1.627 177.982 176.300 0.092 0.000 0.961 161 D CA 0.810 54.862 54.000 0.087 0.000 0.853 161 D CB -0.045 40.787 40.800 0.054 0.000 0.967 161 D HN 0.197 nan 8.370 nan 0.000 0.496 162 K N 0.315 120.779 120.400 0.106 0.000 2.379 162 K HA 0.181 4.505 4.320 0.006 0.000 0.194 162 K C 0.665 177.365 176.600 0.167 0.000 1.031 162 K CA -0.153 56.200 56.287 0.110 0.000 1.037 162 K CB 0.613 33.161 32.500 0.080 0.000 0.824 162 K HN 0.160 nan 8.250 nan 0.000 0.516 163 L N 2.464 123.823 121.223 0.226 0.000 3.660 163 L HA -0.214 4.130 4.340 0.006 0.000 0.440 163 L C -0.309 176.882 176.870 0.535 0.000 1.262 163 L CA 0.734 55.784 54.840 0.351 0.000 0.837 163 L CB -2.285 39.909 42.059 0.225 0.000 1.689 163 L HN 0.216 nan 8.230 nan 0.000 0.890 164 T N -3.122 111.681 114.554 0.416 0.000 2.885 164 T HA 0.582 4.936 4.350 0.006 0.000 0.285 164 T C -0.450 174.090 174.700 -0.267 0.000 1.019 164 T CA -0.778 61.415 62.100 0.155 0.000 1.010 164 T CB 2.285 71.179 68.868 0.044 0.000 1.022 164 T HN 0.144 nan 8.240 nan 0.000 0.466 165 F N 1.841 121.150 119.950 -1.068 0.000 2.495 165 F HA 0.321 4.851 4.527 0.006 0.000 0.365 165 F C 1.036 176.491 175.800 -0.575 0.000 1.090 165 F CA -0.234 56.933 58.000 -1.388 0.000 1.235 165 F CB 0.643 38.914 39.000 -1.216 0.000 1.119 165 F HN 0.833 nan 8.300 nan 0.000 0.562 166 E N 3.172 122.577 120.200 -1.325 0.000 2.288 166 E HA 0.128 4.482 4.350 0.006 0.000 0.200 166 E C -0.276 175.664 176.600 -1.099 0.000 0.880 166 E CA -0.095 55.768 56.400 -0.896 0.000 0.971 166 E CB 0.521 29.962 29.700 -0.431 0.000 0.954 166 E HN 0.429 nan 8.360 nan 0.000 0.489 167 K N 1.095 120.784 120.400 -1.185 0.000 2.542 167 K HA 0.201 4.524 4.320 0.006 0.000 0.259 167 K C -1.855 174.639 176.600 -0.176 0.000 0.932 167 K CA -0.321 55.650 56.287 -0.527 0.000 0.820 167 K CB 2.502 34.871 32.500 -0.218 0.000 1.345 167 K HN -0.066 nan 8.250 nan 0.000 0.432 168 E N 4.552 124.857 120.200 0.175 0.000 2.179 168 E HA 0.388 4.742 4.350 0.006 0.000 0.275 168 E C -1.124 175.564 176.600 0.147 0.000 0.945 168 E CA -0.662 55.906 56.400 0.280 0.000 0.792 168 E CB 1.105 30.998 29.700 0.321 0.000 1.125 168 E HN 0.451 nan 8.360 nan 0.000 0.397 169 I N 3.229 123.885 120.570 0.144 0.000 2.389 169 I HA 0.191 4.365 4.170 0.006 0.000 0.288 169 I C -0.325 175.856 176.117 0.107 0.000 0.999 169 I CA -0.708 60.658 61.300 0.109 0.000 1.129 169 I CB 2.001 40.061 38.000 0.101 0.000 1.288 169 I HN 0.413 nan 8.210 nan 0.000 0.444 170 S N 6.973 122.719 115.700 0.077 0.000 2.528 170 S HA 0.508 4.982 4.470 0.006 0.000 0.277 170 S C -0.110 174.484 174.600 -0.011 0.000 1.297 170 S CA -0.442 57.779 58.200 0.036 0.000 1.052 170 S CB 0.503 63.713 63.200 0.016 0.000 0.917 170 S HN 0.324 nan 8.310 nan 0.000 0.492 171 L N 4.142 125.318 121.223 -0.079 0.000 2.322 171 L HA 0.565 4.909 4.340 0.006 0.000 0.269 171 L C -2.066 174.619 176.870 -0.309 0.000 1.012 171 L CA -2.602 52.079 54.840 -0.266 0.000 0.815 171 L CB 1.000 42.967 42.059 -0.154 0.000 1.295 171 L HN 0.370 nan 8.230 nan 0.000 0.438 172 P HA 0.109 nan 4.420 nan 0.000 0.269 172 P C -2.531 174.670 177.300 -0.166 0.000 1.215 172 P CA -1.376 61.554 63.100 -0.283 0.000 0.780 172 P CB -0.105 31.411 31.700 -0.308 0.000 0.898 173 P HA 0.100 nan 4.420 nan 0.000 0.226 173 P C 0.078 177.360 177.300 -0.030 0.000 1.783 173 P CA 0.221 63.283 63.100 -0.062 0.000 0.980 173 P CB -0.594 31.077 31.700 -0.048 0.000 1.967 174 K N 0.114 120.496 120.400 -0.031 0.000 2.625 174 K HA 0.164 4.488 4.320 0.006 0.000 0.190 174 K C 0.228 176.839 176.600 0.020 0.000 1.174 174 K CA -0.729 55.563 56.287 0.010 0.000 1.103 174 K CB 0.068 32.580 32.500 0.021 0.000 0.900 174 K HN -0.046 nan 8.250 nan 0.000 0.540 175 R N 0.598 121.093 120.500 -0.009 0.000 2.679 175 R HA 0.163 4.507 4.340 0.006 0.000 0.268 175 R C 0.056 176.355 176.300 -0.002 0.000 1.044 175 R CA -0.489 55.597 56.100 -0.024 0.000 1.105 175 R CB 0.309 30.569 30.300 -0.067 0.000 0.989 175 R HN 0.027 nan 8.270 nan 0.000 0.447 176 V N 3.094 122.992 119.914 -0.026 0.000 2.540 176 V HA -0.000 4.124 4.120 0.006 0.000 0.297 176 V C -0.344 175.762 176.094 0.020 0.000 1.024 176 V CA 0.524 62.854 62.300 0.050 0.000 1.105 176 V CB 0.296 32.148 31.823 0.048 0.000 0.938 176 V HN 0.840 nan 8.190 nan 0.000 0.482 177 Q N 5.411 125.302 119.800 0.152 0.000 2.347 177 Q HA 0.714 5.058 4.340 0.006 0.000 0.262 177 Q C 0.108 176.261 176.000 0.255 0.000 0.980 177 Q CA 0.118 56.046 55.803 0.208 0.000 0.867 177 Q CB 1.791 30.707 28.738 0.297 0.000 1.242 177 Q HN 1.073 nan 8.270 nan 0.000 0.453 178 G N 1.307 110.282 108.800 0.293 0.000 2.349 178 G HA2 0.241 4.205 3.960 0.006 0.000 0.294 178 G HA3 0.241 4.205 3.960 0.006 0.000 0.294 178 G C -1.276 173.808 174.900 0.307 0.000 1.380 178 G CA -1.053 44.237 45.100 0.316 0.000 0.811 178 G HN 0.415 nan 8.290 nan 0.000 0.519 179 L N 0.523 121.887 121.223 0.235 0.000 2.482 179 L HA 0.176 4.519 4.340 0.006 0.000 0.273 179 L C 0.519 177.420 176.870 0.051 0.000 1.228 179 L CA -0.482 54.378 54.840 0.033 0.000 0.827 179 L CB 0.327 42.332 42.059 -0.090 0.000 1.099 179 L HN 0.456 nan 8.230 nan 0.000 0.494 180 N N 1.674 120.247 118.700 -0.211 0.000 3.303 180 N HA 0.099 4.843 4.740 0.006 0.000 0.304 180 N C -0.833 174.640 175.510 -0.061 0.000 1.302 180 N CA 0.018 52.928 53.050 -0.233 0.000 1.213 180 N CB -0.087 38.183 38.487 -0.361 0.000 1.481 180 N HN 0.349 nan 8.380 nan 0.000 0.546 181 Y N 0.578 120.980 120.300 0.170 0.000 2.511 181 Y HA -0.046 4.503 4.550 -0.002 0.000 0.332 181 Y C 1.751 177.759 175.900 0.180 0.000 1.177 181 Y CA -0.243 57.978 58.100 0.203 0.000 1.422 181 Y CB 0.744 39.359 38.460 0.258 0.000 1.271 181 Y HN 0.189 nan 8.280 nan 0.000 0.550 182 D N 2.535 123.119 120.400 0.306 0.000 2.133 182 D HA -0.166 4.478 4.640 0.006 0.000 0.195 182 D C 2.125 178.543 176.300 0.197 0.000 0.997 182 D CA 1.705 55.835 54.000 0.217 0.000 0.840 182 D CB -0.430 40.471 40.800 0.168 0.000 0.947 182 D HN 0.895 nan 8.370 nan 0.000 0.452 183 G N -0.078 108.835 108.800 0.188 0.000 2.776 183 G HA2 -0.079 3.885 3.960 0.006 0.000 0.209 183 G HA3 -0.079 3.885 3.960 0.006 0.000 0.209 183 G C 1.426 176.323 174.900 -0.005 0.000 1.145 183 G CA -0.033 45.115 45.100 0.080 0.000 0.791 183 G HN 0.271 nan 8.290 nan 0.000 0.530 184 L N -1.269 120.002 121.223 0.081 0.000 2.509 184 L HA 0.373 4.716 4.340 0.006 0.000 0.222 184 L C 0.112 177.045 176.870 0.106 0.000 1.123 184 L CA 0.080 54.912 54.840 -0.014 0.000 0.856 184 L CB 0.258 42.360 42.059 0.072 0.000 0.985 184 L HN 0.177 nan 8.230 nan 0.000 0.456 185 F N 0.970 120.911 119.950 -0.015 0.000 3.287 185 F HA 0.450 4.982 4.527 0.008 0.000 0.379 185 F C -0.489 175.320 175.800 0.015 0.000 1.268 185 F CA -0.765 57.232 58.000 -0.005 0.000 1.220 185 F CB 0.388 39.432 39.000 0.073 0.000 1.687 185 F HN -0.243 nan 8.300 nan 0.000 0.648 186 R N 2.898 123.264 120.500 -0.223 0.000 3.003 186 R HA 0.616 4.959 4.340 0.006 0.000 0.251 186 R C -1.153 174.991 176.300 -0.260 0.000 1.265 186 R CA -0.821 55.151 56.100 -0.213 0.000 1.026 186 R CB 2.004 32.228 30.300 -0.127 0.000 1.307 186 R HN 0.707 nan 8.270 nan 0.000 0.475 187 Q N -0.763 118.947 119.800 -0.151 0.000 2.462 187 Q HA 0.411 4.755 4.340 0.006 0.000 0.285 187 Q C -0.868 175.118 176.000 -0.022 0.000 1.035 187 Q CA -0.900 54.847 55.803 -0.093 0.000 0.799 187 Q CB 1.683 30.396 28.738 -0.041 0.000 1.452 187 Q HN 0.621 nan 8.270 nan 0.000 0.404 188 T N -1.015 113.567 114.554 0.046 0.000 2.802 188 T HA 0.081 4.435 4.350 0.006 0.000 0.305 188 T C 0.996 175.742 174.700 0.076 0.000 1.053 188 T CA 0.439 62.604 62.100 0.109 0.000 1.058 188 T CB 0.658 69.657 68.868 0.218 0.000 0.988 188 T HN 0.619 nan 8.240 nan 0.000 0.539 189 T N 1.406 116.009 114.554 0.082 0.000 2.759 189 T HA -0.130 4.224 4.350 0.006 0.000 0.269 189 T C 1.597 176.328 174.700 0.052 0.000 1.042 189 T CA 1.704 63.841 62.100 0.062 0.000 1.140 189 T CB -0.585 68.326 68.868 0.070 0.000 0.864 189 T HN 0.939 nan 8.240 nan 0.000 0.455 190 D N 0.655 121.092 120.400 0.061 0.000 2.371 190 D HA 0.117 4.761 4.640 0.006 0.000 0.221 190 D C 1.591 177.897 176.300 0.009 0.000 0.986 190 D CA 0.868 54.891 54.000 0.038 0.000 0.899 190 D CB -0.876 39.953 40.800 0.047 0.000 0.902 190 D HN 0.471 nan 8.370 nan 0.000 0.530 191 G N 0.532 109.341 108.800 0.015 0.000 2.184 191 G HA2 -0.359 3.605 3.960 0.006 0.000 0.264 191 G HA3 -0.359 3.605 3.960 0.006 0.000 0.264 191 G C 1.238 176.095 174.900 -0.072 0.000 0.975 191 G CA 0.551 45.652 45.100 0.001 0.000 0.642 191 G HN 0.330 nan 8.290 nan 0.000 0.536 192 K N -0.693 119.603 120.400 -0.173 0.000 2.228 192 K HA 0.250 4.574 4.320 0.006 0.000 0.202 192 K C 0.489 176.613 176.600 -0.793 0.000 1.051 192 K CA 0.677 56.664 56.287 -0.500 0.000 0.960 192 K CB 0.007 32.115 32.500 -0.653 0.000 0.743 192 K HN 0.474 nan 8.250 nan 0.000 0.458 193 F N 0.099 120.020 119.950 -0.049 0.000 2.529 193 F HA 0.415 4.946 4.527 0.006 0.000 0.320 193 F C 0.283 175.999 175.800 -0.140 0.000 1.118 193 F CA -1.031 56.915 58.000 -0.090 0.000 0.915 193 F CB 1.385 40.347 39.000 -0.063 0.000 1.161 193 F HN -0.313 nan 8.300 nan 0.000 0.445 194 I N 3.445 123.994 120.570 -0.035 0.000 2.474 194 I HA 0.365 4.538 4.170 0.006 0.000 0.287 194 I C -0.727 175.328 176.117 -0.103 0.000 1.048 194 I CA -0.621 60.591 61.300 -0.148 0.000 1.383 194 I CB 1.166 39.021 38.000 -0.242 0.000 1.412 194 I HN 0.228 nan 8.210 nan 0.000 0.531 195 V N 7.323 127.122 119.914 -0.191 0.000 2.409 195 V HA 0.431 4.555 4.120 0.006 0.000 0.290 195 V C -0.407 175.564 176.094 -0.205 0.000 1.017 195 V CA -0.601 61.523 62.300 -0.294 0.000 0.841 195 V CB 1.342 32.802 31.823 -0.605 0.000 1.003 195 V HN 0.524 nan 8.190 nan 0.000 0.426 196 L N 2.309 123.472 121.223 -0.100 0.000 2.350 196 L HA 0.916 5.260 4.340 0.006 0.000 0.260 196 L C -0.619 176.206 176.870 -0.075 0.000 1.015 196 L CA -0.968 53.880 54.840 0.013 0.000 0.821 196 L CB 1.841 44.019 42.059 0.198 0.000 1.370 196 L HN 0.461 nan 8.230 nan 0.000 0.416 197 Q N 1.703 121.420 119.800 -0.139 0.000 2.256 197 Q HA 0.493 4.836 4.340 0.006 0.000 0.254 197 Q C -1.244 174.686 176.000 -0.118 0.000 0.916 197 Q CA 0.126 55.786 55.803 -0.238 0.000 0.932 197 Q CB 0.975 29.368 28.738 -0.575 0.000 1.207 197 Q HN 0.746 nan 8.270 nan 0.000 0.426 198 N N 1.794 120.481 118.700 -0.021 0.000 2.430 198 N HA 0.808 5.552 4.740 0.006 0.000 0.298 198 N C -1.559 174.052 175.510 0.167 0.000 1.130 198 N CA -0.407 52.683 53.050 0.066 0.000 0.894 198 N CB 1.974 40.514 38.487 0.088 0.000 1.209 198 N HN 0.622 nan 8.380 nan 0.000 0.503 199 A N -0.079 122.850 122.820 0.182 0.000 2.456 199 A HA 0.421 4.745 4.320 0.006 0.000 0.288 199 A C 0.124 177.787 177.584 0.133 0.000 1.042 199 A CA -0.581 51.588 52.037 0.219 0.000 0.738 199 A CB 0.553 19.752 19.000 0.332 0.000 1.266 199 A HN 0.611 nan 8.150 nan 0.000 0.407 200 S N 1.791 117.552 115.700 0.101 0.000 2.559 200 S HA 0.198 4.672 4.470 0.006 0.000 0.226 200 S C -0.478 174.153 174.600 0.053 0.000 1.000 200 S CA 0.483 58.724 58.200 0.068 0.000 0.948 200 S CB -0.425 62.808 63.200 0.055 0.000 0.870 200 S HN 0.623 nan 8.310 nan 0.000 0.497 201 P HA 0.420 nan 4.420 nan 0.000 0.245 201 P C 0.421 177.761 177.300 0.066 0.000 1.206 201 P CA 0.080 63.214 63.100 0.057 0.000 0.781 201 P CB -0.204 31.511 31.700 0.026 0.000 0.994 202 A N 1.312 124.169 122.820 0.062 0.000 2.498 202 A HA 0.362 4.686 4.320 0.006 0.000 0.239 202 A C 0.699 178.351 177.584 0.114 0.000 1.068 202 A CA 0.265 52.344 52.037 0.071 0.000 0.766 202 A CB -0.246 18.787 19.000 0.056 0.000 1.003 202 A HN 0.384 nan 8.150 nan 0.000 0.497 203 T N 0.047 114.685 114.554 0.140 0.000 2.875 203 T HA 0.700 5.054 4.350 0.006 0.000 0.284 203 T C -0.078 174.712 174.700 0.149 0.000 0.995 203 T CA 0.126 62.352 62.100 0.209 0.000 1.060 203 T CB 1.015 70.092 68.868 0.348 0.000 0.967 203 T HN 1.750 nan 8.240 nan 0.000 0.476 204 S N 2.079 117.860 115.700 0.135 0.000 2.596 204 S HA 0.676 5.150 4.470 0.006 0.000 0.270 204 S C -1.147 173.499 174.600 0.077 0.000 1.155 204 S CA -1.139 57.122 58.200 0.103 0.000 0.827 204 S CB 0.894 64.154 63.200 0.100 0.000 1.130 204 S HN 0.797 nan 8.310 nan 0.000 0.467 205 I N 1.478 122.088 120.570 0.066 0.000 2.377 205 I HA 0.571 4.745 4.170 0.006 0.000 0.293 205 I C 0.768 176.900 176.117 0.025 0.000 0.987 205 I CA -0.558 60.753 61.300 0.019 0.000 1.185 205 I CB 1.649 39.666 38.000 0.028 0.000 1.341 205 I HN 0.930 nan 8.210 nan 0.000 0.455 206 G N 7.008 115.826 108.800 0.031 0.000 2.367 206 G HA2 0.625 4.589 3.960 0.006 0.000 0.314 206 G HA3 0.625 4.589 3.960 0.006 0.000 0.314 206 G C -0.636 174.176 174.900 -0.148 0.000 1.130 206 G CA -0.361 44.756 45.100 0.027 0.000 0.864 206 G HN 0.330 nan 8.290 nan 0.000 0.486 207 I N 1.984 122.329 120.570 -0.375 0.000 2.406 207 I HA 0.325 4.499 4.170 0.006 0.000 0.290 207 I C -0.337 175.611 176.117 -0.282 0.000 0.999 207 I CA -1.024 60.111 61.300 -0.275 0.000 1.124 207 I CB 1.364 39.195 38.000 -0.281 0.000 1.289 207 I HN 0.042 nan 8.210 nan 0.000 0.441 208 V N 5.139 125.027 119.914 -0.043 0.000 2.448 208 V HA 0.276 4.400 4.120 0.006 0.000 0.295 208 V C -0.099 176.079 176.094 0.141 0.000 1.025 208 V CA -0.689 61.635 62.300 0.040 0.000 0.859 208 V CB 2.152 34.014 31.823 0.066 0.000 0.988 208 V HN 0.637 nan 8.190 nan 0.000 0.431 209 D N 4.123 124.611 120.400 0.146 0.000 2.365 209 D HA 0.181 4.824 4.640 0.006 0.000 0.237 209 D C 0.897 177.155 176.300 -0.069 0.000 1.190 209 D CA 0.001 54.043 54.000 0.070 0.000 0.867 209 D CB 1.904 42.787 40.800 0.138 0.000 1.050 209 D HN 0.248 nan 8.370 nan 0.000 0.491 210 V N 4.604 124.412 119.914 -0.176 0.000 2.307 210 V HA -0.225 3.898 4.120 0.006 0.000 0.245 210 V C 2.500 178.534 176.094 -0.101 0.000 1.045 210 V CA 2.073 64.272 62.300 -0.169 0.000 1.024 210 V CB -0.775 30.909 31.823 -0.231 0.000 0.651 210 V HN 0.687 nan 8.190 nan 0.000 0.449 211 A N -0.096 122.657 122.820 -0.112 0.000 1.877 211 A HA -0.235 4.088 4.320 0.006 0.000 0.216 211 A C 2.278 179.834 177.584 -0.046 0.000 1.186 211 A CA 1.986 53.980 52.037 -0.071 0.000 0.620 211 A CB -0.447 18.502 19.000 -0.085 0.000 0.822 211 A HN 0.538 nan 8.150 nan 0.000 0.443 212 K N -1.636 118.739 120.400 -0.041 0.000 2.288 212 K HA 0.100 4.424 4.320 0.006 0.000 0.201 212 K C 1.048 177.649 176.600 0.002 0.000 1.048 212 K CA 0.564 56.844 56.287 -0.010 0.000 0.956 212 K CB -0.234 32.271 32.500 0.009 0.000 0.746 212 K HN 0.760 nan 8.250 nan 0.000 0.461 213 G N 2.774 111.571 108.800 -0.003 0.000 2.225 213 G HA2 -0.185 3.779 3.960 0.006 0.000 0.264 213 G HA3 -0.185 3.779 3.960 0.006 0.000 0.264 213 G C -0.833 174.096 174.900 0.048 0.000 1.060 213 G CA 0.166 45.274 45.100 0.014 0.000 0.833 213 G HN 0.243 nan 8.290 nan 0.000 0.498 214 D N -1.221 119.216 120.400 0.061 0.000 2.457 214 D HA 0.440 5.084 4.640 0.006 0.000 0.240 214 D C -0.347 176.036 176.300 0.138 0.000 1.041 214 D CA -0.615 53.443 54.000 0.097 0.000 0.861 214 D CB 1.107 41.954 40.800 0.078 0.000 1.394 214 D HN 0.131 nan 8.370 nan 0.000 0.473 215 Y N 2.089 122.413 120.300 0.040 0.000 2.486 215 Y HA 0.143 4.696 4.550 0.005 0.000 0.348 215 Y C 0.922 176.846 175.900 0.039 0.000 1.000 215 Y CA 0.042 58.166 58.100 0.040 0.000 1.253 215 Y CB 0.517 38.997 38.460 0.032 0.000 1.140 215 Y HN 0.149 nan 8.280 nan 0.000 0.526 216 V N 4.956 124.707 119.914 -0.272 0.000 2.273 216 V HA -0.058 4.065 4.120 0.006 0.000 0.242 216 V C 0.374 176.347 176.094 -0.201 0.000 1.035 216 V CA 1.899 64.100 62.300 -0.165 0.000 1.013 216 V CB -0.473 31.257 31.823 -0.154 0.000 0.652 216 V HN 0.880 nan 8.190 nan 0.000 0.452 217 E N -1.504 118.457 120.200 -0.398 0.000 2.368 217 E HA 0.156 4.510 4.350 0.006 0.000 0.267 217 E C -2.050 174.412 176.600 -0.230 0.000 1.216 217 E CA -0.819 55.453 56.400 -0.213 0.000 0.891 217 E CB 0.533 30.208 29.700 -0.042 0.000 1.524 217 E HN 0.050 nan 8.360 nan 0.000 0.445 218 D N 0.516 120.933 120.400 0.029 0.000 2.264 218 D HA 0.323 4.967 4.640 0.006 0.000 0.250 218 D C -0.519 175.801 176.300 0.033 0.000 1.113 218 D CA -0.318 53.734 54.000 0.086 0.000 0.871 218 D CB 1.853 42.734 40.800 0.135 0.000 1.167 218 D HN 0.267 nan 8.370 nan 0.000 0.447 219 V N 3.379 123.315 119.914 0.037 0.000 2.267 219 V HA 0.046 4.170 4.120 0.006 0.000 0.254 219 V C 1.662 177.789 176.094 0.055 0.000 1.144 219 V CA -0.091 62.235 62.300 0.043 0.000 0.992 219 V CB -0.059 31.814 31.823 0.084 0.000 1.199 219 V HN 0.695 nan 8.190 nan 0.000 0.493 220 T N 0.304 114.885 114.554 0.044 0.000 3.072 220 T HA -0.050 4.304 4.350 0.006 0.000 0.266 220 T C 1.888 176.611 174.700 0.038 0.000 1.127 220 T CA 0.874 63.002 62.100 0.047 0.000 1.107 220 T CB 0.058 68.950 68.868 0.041 0.000 0.910 220 T HN 0.606 nan 8.240 nan 0.000 0.513 221 A N 1.522 124.358 122.820 0.026 0.000 2.076 221 A HA 0.348 4.671 4.320 0.006 0.000 0.220 221 A C 2.460 180.061 177.584 0.028 0.000 1.160 221 A CA 1.303 53.350 52.037 0.016 0.000 0.653 221 A CB -0.972 18.025 19.000 -0.004 0.000 0.801 221 A HN 0.743 nan 8.150 nan 0.000 0.455 222 A N -0.723 122.128 122.820 0.051 0.000 2.278 222 A HA 0.607 4.931 4.320 0.006 0.000 0.212 222 A C 1.161 178.796 177.584 0.084 0.000 1.213 222 A CA 0.497 52.577 52.037 0.072 0.000 0.840 222 A CB -0.915 18.145 19.000 0.101 0.000 0.866 222 A HN 0.989 nan 8.150 nan 0.000 0.489 223 A N -0.794 122.067 122.820 0.069 0.000 2.565 223 A HA 0.417 4.741 4.320 0.006 0.000 0.237 223 A C 1.665 179.288 177.584 0.064 0.000 1.053 223 A CA 0.694 52.774 52.037 0.071 0.000 0.755 223 A CB -0.606 18.424 19.000 0.049 0.000 0.980 223 A HN 1.973 nan 8.150 nan 0.000 0.506 224 G N 0.526 109.371 108.800 0.076 0.000 2.162 224 G HA2 -0.263 3.701 3.960 0.006 0.000 0.260 224 G HA3 -0.263 3.701 3.960 0.006 0.000 0.260 224 G C 0.351 175.300 174.900 0.080 0.000 0.976 224 G CA 0.452 45.585 45.100 0.055 0.000 0.655 224 G HN 1.218 nan 8.290 nan 0.000 0.533 225 c N -0.914 117.769 118.600 0.137 0.000 2.531 225 c HA 0.929 5.503 4.570 0.006 0.000 0.369 225 c C 0.127 174.428 174.090 0.351 0.000 1.258 225 c CA -0.911 55.525 56.329 0.178 0.000 1.876 225 c CB 1.691 44.276 42.510 0.126 0.000 2.256 225 c HN 0.534 nan 8.230 nan 0.000 0.510 226 W N 1.142 122.456 121.300 0.022 0.000 3.624 226 W HA 0.477 5.172 4.660 0.059 0.000 0.312 226 W C -0.620 175.918 176.519 0.033 0.000 1.203 226 W CA 0.211 57.569 57.345 0.022 0.000 1.225 226 W CB 1.655 31.114 29.460 -0.001 0.000 1.321 226 W HN 1.240 nan 8.180 nan 0.000 0.506 227 S N 1.867 117.284 115.700 -0.471 0.000 3.425 227 S HA -0.159 4.315 4.470 0.006 0.000 0.815 227 S C -1.883 172.642 174.600 -0.125 0.000 1.102 227 S CA -0.376 57.602 58.200 -0.370 0.000 1.114 227 S CB -1.103 61.974 63.200 -0.206 0.000 0.716 227 S HN 0.881 nan 8.310 nan 0.000 0.321 228 V N 2.319 122.173 119.914 -0.100 0.000 2.409 228 V HA 0.668 4.791 4.120 0.006 0.000 0.291 228 V C -0.047 176.061 176.094 0.022 0.000 1.020 228 V CA -0.509 61.755 62.300 -0.060 0.000 0.848 228 V CB 1.295 32.984 31.823 -0.223 0.000 0.990 228 V HN 0.778 nan 8.190 nan 0.000 0.430 229 I N 7.423 128.053 120.570 0.099 0.000 2.405 229 I HA 0.399 4.573 4.170 0.006 0.000 0.280 229 I C -2.468 173.688 176.117 0.065 0.000 1.027 229 I CA -1.816 59.542 61.300 0.097 0.000 1.161 229 I CB 1.664 39.757 38.000 0.155 0.000 1.300 229 I HN 0.428 nan 8.210 nan 0.000 0.463 230 P HA 0.094 nan 4.420 nan 0.000 0.269 230 P C -0.958 176.310 177.300 -0.054 0.000 1.209 230 P CA -0.348 62.783 63.100 0.051 0.000 0.776 230 P CB 0.444 32.171 31.700 0.046 0.000 0.876 231 Q N 3.795 123.523 119.800 -0.120 0.000 2.377 231 Q HA 0.165 4.508 4.340 0.006 0.000 0.249 231 Q C -1.688 174.370 176.000 0.098 0.000 1.005 231 Q CA -1.548 54.122 55.803 -0.221 0.000 0.912 231 Q CB 0.709 29.218 28.738 -0.381 0.000 1.223 231 Q HN 0.349 nan 8.270 nan 0.000 0.459 232 P HA -0.118 nan 4.420 nan 0.000 0.234 232 P C 0.406 177.800 177.300 0.157 0.000 1.167 232 P CA 0.872 64.074 63.100 0.169 0.000 0.763 232 P CB 0.243 32.039 31.700 0.161 0.000 0.835 233 N N -0.881 117.951 118.700 0.220 0.000 2.336 233 N HA 0.015 4.759 4.740 0.006 0.000 0.189 233 N C 0.274 175.857 175.510 0.123 0.000 1.113 233 N CA 0.171 53.314 53.050 0.155 0.000 0.858 233 N CB 0.094 38.678 38.487 0.162 0.000 0.970 233 N HN 0.074 nan 8.380 nan 0.000 0.471 234 R N -0.020 120.548 120.500 0.113 0.000 2.725 234 R HA 0.344 4.688 4.340 0.006 0.000 0.277 234 R C -1.907 174.436 176.300 0.072 0.000 0.987 234 R CA -1.612 54.535 56.100 0.078 0.000 0.901 234 R CB 2.276 32.613 30.300 0.062 0.000 1.207 234 R HN -0.094 nan 8.270 nan 0.000 0.463 235 P HA -0.120 nan 4.420 nan 0.000 0.217 235 P C -0.174 177.191 177.300 0.110 0.000 1.151 235 P CA 1.315 64.463 63.100 0.079 0.000 0.828 235 P CB 0.323 32.067 31.700 0.073 0.000 0.788 236 R N -1.482 119.081 120.500 0.104 0.000 2.583 236 R HA 0.542 4.886 4.340 0.006 0.000 0.282 236 R C -0.836 175.511 176.300 0.077 0.000 1.288 236 R CA -0.294 55.890 56.100 0.141 0.000 1.415 236 R CB -0.089 30.318 30.300 0.178 0.000 1.331 236 R HN -0.205 nan 8.270 nan 0.000 0.719 237 S N 1.397 117.133 115.700 0.059 0.000 2.542 237 S HA 0.815 5.289 4.470 0.006 0.000 0.293 237 S C -0.904 173.703 174.600 0.011 0.000 1.089 237 S CA -0.669 57.492 58.200 -0.066 0.000 0.961 237 S CB 1.267 64.406 63.200 -0.102 0.000 1.062 237 S HN 0.422 nan 8.310 nan 0.000 0.483 238 F N -0.725 119.157 119.950 -0.113 0.000 2.711 238 F HA 0.792 5.322 4.527 0.006 0.000 0.313 238 F C -1.201 174.521 175.800 -0.129 0.000 1.141 238 F CA -1.367 56.553 58.000 -0.133 0.000 0.941 238 F CB 1.039 39.986 39.000 -0.088 0.000 1.349 238 F HN 0.371 nan 8.300 nan 0.000 0.464 239 M N 1.149 120.803 119.600 0.090 0.000 2.716 239 M HA 0.667 5.150 4.480 0.006 0.000 0.307 239 M C -0.822 175.583 176.300 0.174 0.000 1.223 239 M CA -0.777 54.545 55.300 0.037 0.000 0.871 239 M CB 2.553 35.141 32.600 -0.019 0.000 1.739 239 M HN 0.852 nan 8.290 nan 0.000 0.475 240 T N 0.846 115.469 114.554 0.115 0.000 2.896 240 T HA 0.705 5.059 4.350 0.006 0.000 0.297 240 T C -1.461 173.284 174.700 0.075 0.000 1.108 240 T CA -0.629 61.539 62.100 0.113 0.000 1.004 240 T CB 1.157 70.104 68.868 0.131 0.000 1.159 240 T HN 0.533 nan 8.240 nan 0.000 0.499 241 I N 2.997 123.615 120.570 0.080 0.000 2.331 241 I HA 0.409 4.582 4.170 0.006 0.000 0.292 241 I C 0.171 176.346 176.117 0.096 0.000 0.998 241 I CA -0.611 60.727 61.300 0.062 0.000 1.267 241 I CB 0.848 38.869 38.000 0.036 0.000 1.386 241 I HN 0.575 nan 8.210 nan 0.000 0.476 242 c N 3.451 122.083 118.600 0.053 0.000 2.401 242 c HA 0.429 5.003 4.570 0.006 0.000 0.356 242 c C 1.806 175.881 174.090 -0.025 0.000 1.192 242 c CA -0.533 55.812 56.329 0.026 0.000 2.028 242 c CB 1.325 43.834 42.510 -0.001 0.000 2.344 242 c HN 0.988 nan 8.230 nan 0.000 0.525 243 G N 0.528 109.306 108.800 -0.035 0.000 2.625 243 G HA2 -0.131 3.833 3.960 0.006 0.000 0.214 243 G HA3 -0.131 3.833 3.960 0.006 0.000 0.214 243 G C 0.815 175.624 174.900 -0.151 0.000 1.132 243 G CA 1.025 46.077 45.100 -0.080 0.000 0.782 243 G HN 0.927 nan 8.290 nan 0.000 0.538 244 D N -0.807 119.496 120.400 -0.160 0.000 2.340 244 D HA 0.168 4.812 4.640 0.006 0.000 0.220 244 D C 1.702 177.796 176.300 -0.343 0.000 1.039 244 D CA 0.485 54.364 54.000 -0.202 0.000 0.866 244 D CB -0.496 40.223 40.800 -0.135 0.000 0.913 244 D HN 0.379 nan 8.370 nan 0.000 0.523 245 G N -0.823 107.671 108.800 -0.509 0.000 2.159 245 G HA2 -0.137 3.827 3.960 0.006 0.000 0.256 245 G HA3 -0.137 3.827 3.960 0.006 0.000 0.256 245 G C 0.554 175.132 174.900 -0.536 0.000 0.977 245 G CA 0.128 44.608 45.100 -1.034 0.000 0.652 245 G HN 0.829 nan 8.290 nan 0.000 0.531 246 G N -1.116 107.539 108.800 -0.242 0.000 2.705 246 G HA2 0.762 4.726 3.960 0.006 0.000 0.299 246 G HA3 0.762 4.726 3.960 0.006 0.000 0.299 246 G C -0.443 174.438 174.900 -0.033 0.000 1.315 246 G CA -1.119 43.922 45.100 -0.099 0.000 1.045 246 G HN 0.652 nan 8.290 nan 0.000 0.517 247 L N -0.111 121.108 121.223 -0.006 0.000 2.346 247 L HA 0.491 4.835 4.340 0.006 0.000 0.276 247 L C -0.855 176.013 176.870 -0.002 0.000 1.006 247 L CA -0.848 53.998 54.840 0.009 0.000 0.817 247 L CB 2.024 44.104 42.059 0.036 0.000 1.272 247 L HN 0.329 nan 8.230 nan 0.000 0.421 248 L N 2.297 123.517 121.223 -0.005 0.000 2.282 248 L HA 0.525 4.868 4.340 0.006 0.000 0.288 248 L C -0.222 176.607 176.870 -0.069 0.000 1.033 248 L CA 0.418 55.240 54.840 -0.030 0.000 0.807 248 L CB 1.649 43.698 42.059 -0.016 0.000 1.209 248 L HN 0.493 nan 8.230 nan 0.000 0.423 249 T N 6.411 120.898 114.554 -0.111 0.000 2.795 249 T HA 0.586 4.940 4.350 0.006 0.000 0.282 249 T C -0.310 174.215 174.700 -0.291 0.000 0.980 249 T CA -0.254 61.728 62.100 -0.197 0.000 1.012 249 T CB 0.790 69.574 68.868 -0.141 0.000 0.936 249 T HN 0.315 nan 8.240 nan 0.000 0.457 250 I N 4.030 124.271 120.570 -0.549 0.000 2.433 250 I HA 0.382 4.556 4.170 0.006 0.000 0.292 250 I C -0.284 175.469 176.117 -0.607 0.000 1.001 250 I CA -0.905 60.019 61.300 -0.627 0.000 1.119 250 I CB 1.770 39.194 38.000 -0.960 0.000 1.289 250 I HN 0.545 nan 8.210 nan 0.000 0.438 251 N N 7.379 125.877 118.700 -0.336 0.000 2.407 251 N HA 0.497 5.241 4.740 0.006 0.000 0.277 251 N C -0.649 174.757 175.510 -0.174 0.000 0.995 251 N CA -0.499 52.418 53.050 -0.222 0.000 0.903 251 N CB 2.608 41.013 38.487 -0.137 0.000 1.218 251 N HN 0.426 nan 8.380 nan 0.000 0.487 252 L N 0.814 121.950 121.223 -0.146 0.000 2.357 252 L HA 0.503 4.847 4.340 0.006 0.000 0.273 252 L C 1.542 178.343 176.870 -0.114 0.000 1.080 252 L CA -0.756 53.987 54.840 -0.163 0.000 0.803 252 L CB 0.881 42.785 42.059 -0.258 0.000 1.174 252 L HN 0.447 nan 8.230 nan 0.000 0.443 253 G N 0.465 109.195 108.800 -0.118 0.000 2.588 253 G HA2 0.128 4.092 3.960 0.006 0.000 0.278 253 G HA3 0.128 4.092 3.960 0.006 0.000 0.278 253 G C 0.430 175.323 174.900 -0.013 0.000 1.307 253 G CA -0.353 44.715 45.100 -0.053 0.000 1.016 253 G HN 0.803 nan 8.290 nan 0.000 0.503 254 E N -0.276 119.960 120.200 0.059 0.000 2.347 254 E HA -0.108 4.246 4.350 0.006 0.000 0.196 254 E C 1.496 178.239 176.600 0.239 0.000 1.008 254 E CA 0.957 57.453 56.400 0.161 0.000 0.852 254 E CB 0.202 29.966 29.700 0.106 0.000 0.783 254 E HN 0.614 nan 8.360 nan 0.000 0.505 255 D N -0.927 119.540 120.400 0.111 0.000 2.347 255 D HA -0.010 4.633 4.640 0.006 0.000 0.213 255 D C 1.378 177.692 176.300 0.023 0.000 0.985 255 D CA 0.853 54.917 54.000 0.107 0.000 0.879 255 D CB 0.132 40.952 40.800 0.032 0.000 0.919 255 D HN 0.176 nan 8.370 nan 0.000 0.526 256 G N 0.070 108.677 108.800 -0.322 0.000 2.175 256 G HA2 -0.282 3.682 3.960 0.006 0.000 0.244 256 G HA3 -0.282 3.682 3.960 0.006 0.000 0.244 256 G C 0.230 174.856 174.900 -0.457 0.000 0.982 256 G CA 0.145 44.689 45.100 -0.927 0.000 0.641 256 G HN 0.445 nan 8.290 nan 0.000 0.527 257 K N 0.149 120.403 120.400 -0.243 0.000 2.126 257 K HA 0.540 4.864 4.320 0.006 0.000 0.257 257 K C 0.683 177.194 176.600 -0.148 0.000 1.007 257 K CA -0.651 55.540 56.287 -0.161 0.000 0.928 257 K CB 1.736 34.179 32.500 -0.094 0.000 1.013 257 K HN 0.012 nan 8.250 nan 0.000 0.473 258 V N 2.554 122.401 119.914 -0.112 0.000 2.485 258 V HA -0.046 4.078 4.120 0.006 0.000 0.287 258 V C 1.003 177.043 176.094 -0.090 0.000 1.022 258 V CA 0.522 62.759 62.300 -0.106 0.000 1.067 258 V CB 0.594 32.365 31.823 -0.086 0.000 0.967 258 V HN 0.985 nan 8.190 nan 0.000 0.479 259 A N 4.435 127.198 122.820 -0.095 0.000 1.956 259 A HA 0.385 4.709 4.320 0.006 0.000 0.212 259 A C 0.993 178.537 177.584 -0.066 0.000 1.188 259 A CA 0.874 52.869 52.037 -0.070 0.000 0.675 259 A CB 0.166 19.129 19.000 -0.063 0.000 0.845 259 A HN 1.015 nan 8.150 nan 0.000 0.455 260 S N -1.454 114.195 115.700 -0.084 0.000 2.611 260 S HA 0.584 5.058 4.470 0.006 0.000 0.268 260 S C -1.123 173.414 174.600 -0.105 0.000 1.156 260 S CA -0.359 57.794 58.200 -0.077 0.000 0.817 260 S CB 1.034 64.197 63.200 -0.062 0.000 1.122 260 S HN 0.845 nan 8.310 nan 0.000 0.466 261 Q N -0.316 119.430 119.800 -0.089 0.000 2.534 261 Q HA 0.811 5.155 4.340 0.006 0.000 0.290 261 Q C -1.541 174.415 176.000 -0.074 0.000 0.991 261 Q CA -0.990 54.751 55.803 -0.104 0.000 0.783 261 Q CB 1.848 30.527 28.738 -0.099 0.000 1.470 261 Q HN 1.282 nan 8.270 nan 0.000 0.406 262 S N -0.304 115.351 115.700 -0.074 0.000 2.550 262 S HA 0.755 5.229 4.470 0.006 0.000 0.270 262 S C -1.391 173.184 174.600 -0.042 0.000 1.145 262 S CA -0.900 57.272 58.200 -0.047 0.000 0.852 262 S CB 2.353 65.532 63.200 -0.035 0.000 1.119 262 S HN 0.661 nan 8.310 nan 0.000 0.465 263 R N 1.142 121.625 120.500 -0.028 0.000 2.534 263 R HA 0.815 5.159 4.340 0.006 0.000 0.301 263 R C 0.293 176.587 176.300 -0.011 0.000 0.961 263 R CA 0.021 56.108 56.100 -0.022 0.000 0.871 263 R CB 1.181 31.465 30.300 -0.025 0.000 1.170 263 R HN 1.321 nan 8.270 nan 0.000 0.446 264 S N 1.546 117.245 115.700 -0.002 0.000 2.634 264 S HA 0.339 4.813 4.470 0.006 0.000 0.261 264 S C 0.390 174.989 174.600 -0.002 0.000 1.271 264 S CA -0.260 57.947 58.200 0.012 0.000 0.985 264 S CB 0.828 64.049 63.200 0.034 0.000 0.968 264 S HN 0.933 nan 8.310 nan 0.000 0.568 265 K N 0.227 120.631 120.400 0.008 0.000 2.149 265 K HA 0.233 4.557 4.320 0.006 0.000 0.245 265 K C 0.140 176.729 176.600 -0.019 0.000 1.024 265 K CA -0.533 55.752 56.287 -0.004 0.000 0.899 265 K CB -0.425 32.082 32.500 0.011 0.000 1.038 265 K HN 0.893 nan 8.250 nan 0.000 0.496 266 Q N 0.203 119.976 119.800 -0.046 0.000 2.274 266 Q HA 0.078 4.422 4.340 0.006 0.000 0.280 266 Q C 0.903 176.876 176.000 -0.045 0.000 1.047 266 Q CA 0.164 55.908 55.803 -0.098 0.000 0.907 266 Q CB 0.455 29.116 28.738 -0.129 0.000 1.171 266 Q HN 0.780 nan 8.270 nan 0.000 0.381 267 M N 5.150 124.719 119.600 -0.051 0.000 2.299 267 M HA 0.153 4.637 4.480 0.006 0.000 0.264 267 M C -0.590 175.723 176.300 0.021 0.000 1.095 267 M CA 0.789 56.135 55.300 0.077 0.000 1.165 267 M CB 0.530 33.217 32.600 0.146 0.000 1.349 267 M HN 0.609 nan 8.290 nan 0.000 0.446 268 F N -1.659 118.088 119.950 -0.340 0.000 2.599 268 F HA 0.604 5.132 4.527 0.001 0.000 0.311 268 F C -0.652 174.985 175.800 -0.272 0.000 1.076 268 F CA -1.336 56.344 58.000 -0.534 0.000 0.937 268 F CB 1.018 39.409 39.000 -1.014 0.000 1.282 268 F HN -0.256 nan 8.300 nan 0.000 0.460 269 S N 1.856 117.459 115.700 -0.162 0.000 2.448 269 S HA 0.264 4.738 4.470 0.006 0.000 0.279 269 S C 0.804 175.323 174.600 -0.134 0.000 1.195 269 S CA -0.546 57.547 58.200 -0.179 0.000 1.051 269 S CB 0.752 63.932 63.200 -0.034 0.000 0.948 269 S HN 0.637 nan 8.310 nan 0.000 0.493 270 V N 5.918 125.640 119.914 -0.320 0.000 2.407 270 V HA -0.178 3.945 4.120 0.006 0.000 0.248 270 V C 2.606 178.647 176.094 -0.090 0.000 1.055 270 V CA 2.365 64.570 62.300 -0.158 0.000 1.049 270 V CB -1.245 30.437 31.823 -0.236 0.000 0.662 270 V HN 0.950 nan 8.190 nan 0.000 0.455 271 A N -0.394 122.370 122.820 -0.092 0.000 1.898 271 A HA -0.152 4.172 4.320 0.006 0.000 0.214 271 A C 1.930 179.504 177.584 -0.017 0.000 1.183 271 A CA 1.779 53.777 52.037 -0.065 0.000 0.622 271 A CB -0.350 18.614 19.000 -0.060 0.000 0.824 271 A HN 0.538 nan 8.150 nan 0.000 0.444 272 D N -1.447 118.962 120.400 0.015 0.000 2.355 272 D HA 0.115 4.759 4.640 0.006 0.000 0.206 272 D C -0.364 176.048 176.300 0.187 0.000 1.010 272 D CA 0.639 54.678 54.000 0.065 0.000 0.875 272 D CB 0.414 41.233 40.800 0.031 0.000 0.966 272 D HN 0.332 nan 8.370 nan 0.000 0.512 273 D N 0.191 120.702 120.400 0.184 0.000 3.118 273 D HA 0.124 4.768 4.640 0.006 0.000 0.286 273 D C -2.723 173.635 176.300 0.095 0.000 1.255 273 D CA -1.519 52.644 54.000 0.272 0.000 0.748 273 D CB 1.114 42.126 40.800 0.355 0.000 1.332 273 D HN -0.118 nan 8.370 nan 0.000 0.575 274 P HA 0.143 nan 4.420 nan 0.000 0.268 274 P C 0.409 177.418 177.300 -0.484 0.000 1.204 274 P CA -0.209 62.674 63.100 -0.361 0.000 0.768 274 P CB 0.663 31.870 31.700 -0.822 0.000 0.842 275 I N -0.514 119.627 120.570 -0.716 0.000 2.499 275 I HA 0.416 4.590 4.170 0.006 0.000 0.296 275 I C 0.107 176.075 176.117 -0.248 0.000 0.992 275 I CA -1.001 60.010 61.300 -0.481 0.000 1.297 275 I CB 0.209 37.745 38.000 -0.772 0.000 1.410 275 I HN 0.006 nan 8.210 nan 0.000 0.507 276 F N 3.996 123.962 119.950 0.027 0.000 2.518 276 F HA 0.192 4.724 4.527 0.010 0.000 0.359 276 F C 1.564 177.422 175.800 0.097 0.000 1.118 276 F CA -0.227 57.834 58.000 0.101 0.000 1.287 276 F CB 0.736 39.810 39.000 0.123 0.000 1.132 276 F HN 0.543 nan 8.300 nan 0.000 0.587 277 I N 0.395 121.112 120.570 0.246 0.000 2.676 277 I HA 0.124 4.298 4.170 0.006 0.000 0.259 277 I C 1.089 177.421 176.117 0.357 0.000 1.194 277 I CA 0.220 61.651 61.300 0.217 0.000 1.473 277 I CB -0.678 37.385 38.000 0.106 0.000 1.096 277 I HN 0.436 nan 8.210 nan 0.000 0.443 278 A N 4.270 127.306 122.820 0.361 0.000 2.491 278 A HA 0.392 4.715 4.320 0.006 0.000 0.261 278 A C -2.235 175.464 177.584 0.192 0.000 1.101 278 A CA -1.032 51.180 52.037 0.292 0.000 0.772 278 A CB -0.740 18.425 19.000 0.276 0.000 1.043 278 A HN 0.258 nan 8.150 nan 0.000 0.501 279 P HA 0.389 nan 4.420 nan 0.000 0.281 279 P C -0.621 176.598 177.300 -0.135 0.000 1.249 279 P CA -0.320 62.623 63.100 -0.262 0.000 0.810 279 P CB 1.485 33.071 31.700 -0.191 0.000 1.008 280 A N 3.515 126.228 122.820 -0.178 0.000 2.478 280 A HA 0.385 4.708 4.320 0.006 0.000 0.327 280 A C -0.436 177.171 177.584 0.038 0.000 1.431 280 A CA -0.458 51.569 52.037 -0.016 0.000 1.014 280 A CB -0.755 18.259 19.000 0.024 0.000 1.143 280 A HN 0.509 nan 8.150 nan 0.000 0.532 281 L N 2.607 123.859 121.223 0.048 0.000 2.264 281 L HA 0.479 4.823 4.340 0.006 0.000 0.289 281 L C -0.296 176.637 176.870 0.105 0.000 1.044 281 L CA -0.012 54.877 54.840 0.082 0.000 0.807 281 L CB 0.942 43.054 42.059 0.088 0.000 1.192 281 L HN 0.660 nan 8.230 nan 0.000 0.425 282 D N 2.328 122.793 120.400 0.108 0.000 2.529 282 D HA 0.176 4.819 4.640 0.006 0.000 0.273 282 D C 0.697 177.035 176.300 0.064 0.000 1.197 282 D CA -0.368 53.670 54.000 0.063 0.000 1.070 282 D CB 1.577 42.398 40.800 0.036 0.000 1.134 282 D HN 0.555 nan 8.370 nan 0.000 0.590 283 K N -0.602 119.807 120.400 0.015 0.000 2.147 283 K HA -0.134 4.190 4.320 0.006 0.000 0.205 283 K C 0.428 177.025 176.600 -0.005 0.000 1.049 283 K CA 1.660 57.970 56.287 0.039 0.000 0.936 283 K CB 0.200 32.707 32.500 0.011 0.000 0.722 283 K HN 0.391 nan 8.250 nan 0.000 0.446 284 D N -0.749 119.475 120.400 -0.294 0.000 2.556 284 D HA 0.035 4.679 4.640 0.006 0.000 0.237 284 D C -0.663 174.776 176.300 -1.434 0.000 1.296 284 D CA -0.354 53.188 54.000 -0.763 0.000 0.807 284 D CB 0.157 40.752 40.800 -0.341 0.000 1.084 284 D HN 0.262 nan 8.370 nan 0.000 0.510 285 K N -0.909 118.883 120.400 -1.014 0.000 2.556 285 K HA 0.795 5.119 4.320 0.006 0.000 0.274 285 K C -1.767 174.725 176.600 -0.180 0.000 0.966 285 K CA -1.145 54.747 56.287 -0.658 0.000 0.865 285 K CB 2.086 34.352 32.500 -0.390 0.000 1.444 285 K HN -0.039 nan 8.250 nan 0.000 0.433 286 A N 1.884 124.681 122.820 -0.039 0.000 2.386 286 A HA 0.590 4.914 4.320 0.006 0.000 0.311 286 A C -1.312 176.038 177.584 -0.390 0.000 1.068 286 A CA -0.786 51.182 52.037 -0.115 0.000 0.743 286 A CB 0.871 19.899 19.000 0.046 0.000 1.258 286 A HN 0.745 nan 8.150 nan 0.000 0.429 287 H N 0.555 119.473 119.070 -0.253 0.000 2.529 287 H HA 0.662 5.221 4.556 0.006 0.000 0.348 287 H C -1.568 173.466 175.328 -0.490 0.000 1.152 287 H CA -0.138 55.817 56.048 -0.156 0.000 1.202 287 H CB 1.679 31.436 29.762 -0.008 0.000 1.562 287 H HN 0.544 nan 8.280 nan 0.000 0.515 288 F N 0.461 120.535 119.950 0.206 0.000 2.565 288 F HA 0.299 4.830 4.527 0.006 0.000 0.313 288 F C 0.148 176.011 175.800 0.105 0.000 1.091 288 F CA -1.097 56.983 58.000 0.133 0.000 0.915 288 F CB 1.905 40.950 39.000 0.075 0.000 1.208 288 F HN 0.268 nan 8.300 nan 0.000 0.453 289 V N -0.222 119.843 119.914 0.252 0.000 2.732 289 V HA 0.893 5.017 4.120 0.006 0.000 0.310 289 V C -0.178 176.123 176.094 0.346 0.000 1.053 289 V CA -0.641 61.762 62.300 0.171 0.000 0.957 289 V CB 1.369 33.193 31.823 0.001 0.000 1.018 289 V HN 0.853 nan 8.190 nan 0.000 0.452 290 S N 2.234 118.112 115.700 0.297 0.000 2.718 290 S HA 0.491 4.965 4.470 0.006 0.000 0.300 290 S C 0.545 175.351 174.600 0.343 0.000 1.117 290 S CA -0.596 57.782 58.200 0.296 0.000 1.002 290 S CB 1.036 64.409 63.200 0.288 0.000 1.092 290 S HN 0.716 nan 8.310 nan 0.000 0.542 291 Y N -0.414 119.771 120.300 -0.192 0.000 2.315 291 Y HA -0.156 4.394 4.550 -0.000 0.000 0.288 291 Y C 0.960 176.616 175.900 -0.406 0.000 1.154 291 Y CA 1.210 59.073 58.100 -0.394 0.000 1.229 291 Y CB -0.234 37.710 38.460 -0.860 0.000 0.980 291 Y HN 0.718 nan 8.280 nan 0.000 0.540 292 Y N -1.119 119.305 120.300 0.208 0.000 2.555 292 Y HA 0.335 4.890 4.550 0.008 0.000 0.259 292 Y C 1.430 177.379 175.900 0.082 0.000 1.179 292 Y CA 0.060 58.231 58.100 0.118 0.000 1.230 292 Y CB 0.749 39.267 38.460 0.098 0.000 1.146 292 Y HN 0.087 nan 8.280 nan 0.000 0.526 293 G N 0.541 109.434 108.800 0.155 0.000 2.132 293 G HA2 -0.260 3.704 3.960 0.006 0.000 0.228 293 G HA3 -0.260 3.704 3.960 0.006 0.000 0.228 293 G C -0.262 174.642 174.900 0.006 0.000 1.000 293 G CA -0.349 44.785 45.100 0.056 0.000 0.693 293 G HN 0.282 nan 8.290 nan 0.000 0.515 294 N N -0.779 117.939 118.700 0.031 0.000 2.476 294 N HA 0.656 5.400 4.740 0.006 0.000 0.275 294 N C 0.011 175.357 175.510 -0.274 0.000 1.190 294 N CA -0.211 52.760 53.050 -0.132 0.000 0.977 294 N CB 1.876 40.327 38.487 -0.059 0.000 1.200 294 N HN 0.152 nan 8.380 nan 0.000 0.515 295 V N 1.679 121.205 119.914 -0.646 0.000 2.540 295 V HA 0.427 4.551 4.120 0.006 0.000 0.302 295 V C -1.057 174.684 176.094 -0.588 0.000 1.035 295 V CA -0.674 61.216 62.300 -0.684 0.000 0.873 295 V CB 0.711 31.656 31.823 -1.463 0.000 0.992 295 V HN 0.490 nan 8.190 nan 0.000 0.428 296 Y N 1.563 121.880 120.300 0.028 0.000 2.549 296 Y HA 0.750 5.305 4.550 0.009 0.000 0.339 296 Y C 0.475 176.553 175.900 0.296 0.000 1.053 296 Y CA -0.495 57.714 58.100 0.182 0.000 1.105 296 Y CB 2.382 40.953 38.460 0.185 0.000 1.258 296 Y HN 0.600 nan 8.280 nan 0.000 0.478 297 S N 0.730 116.688 115.700 0.429 0.000 2.569 297 S HA 0.884 5.358 4.470 0.006 0.000 0.280 297 S C -1.614 173.152 174.600 0.276 0.000 1.111 297 S CA -0.553 57.818 58.200 0.285 0.000 0.887 297 S CB 1.115 64.392 63.200 0.129 0.000 1.095 297 S HN 0.798 nan 8.310 nan 0.000 0.476 298 A N 2.828 125.797 122.820 0.248 0.000 2.340 298 A HA 0.540 4.864 4.320 0.006 0.000 0.297 298 A C -1.078 176.619 177.584 0.188 0.000 1.195 298 A CA -0.580 51.620 52.037 0.271 0.000 0.769 298 A CB 0.785 20.025 19.000 0.401 0.000 1.163 298 A HN 0.725 nan 8.150 nan 0.000 0.472 299 D N 2.993 123.455 120.400 0.104 0.000 2.274 299 D HA 0.420 5.064 4.640 0.006 0.000 0.239 299 D C -0.488 175.841 176.300 0.050 0.000 1.104 299 D CA -0.243 53.733 54.000 -0.041 0.000 0.840 299 D CB 0.583 41.361 40.800 -0.038 0.000 1.100 299 D HN 0.426 nan 8.370 nan 0.000 0.477 300 F N 1.593 121.559 119.950 0.027 0.000 2.855 300 F HA 0.217 4.748 4.527 0.007 0.000 0.317 300 F C 1.573 177.385 175.800 0.019 0.000 1.169 300 F CA -0.685 57.330 58.000 0.026 0.000 1.299 300 F CB -0.241 38.778 39.000 0.031 0.000 0.962 300 F HN 0.168 nan 8.300 nan 0.000 0.506 301 S N -0.645 115.007 115.700 -0.081 0.000 2.428 301 S HA 0.263 4.737 4.470 0.006 0.000 0.230 301 S C 1.180 175.792 174.600 0.020 0.000 1.014 301 S CA 0.457 58.627 58.200 -0.051 0.000 0.957 301 S CB -0.565 62.583 63.200 -0.087 0.000 0.784 301 S HN 0.506 nan 8.310 nan 0.000 0.499 302 G N 0.358 109.180 108.800 0.037 0.000 2.795 302 G HA2 0.409 4.373 3.960 0.006 0.000 0.267 302 G HA3 0.409 4.373 3.960 0.006 0.000 0.267 302 G C -0.158 174.774 174.900 0.054 0.000 1.362 302 G CA -0.233 44.890 45.100 0.038 0.000 1.048 302 G HN 0.070 nan 8.290 nan 0.000 0.547 303 D N 0.191 120.614 120.400 0.039 0.000 2.117 303 D HA 0.137 4.781 4.640 0.006 0.000 0.197 303 D C 1.416 177.739 176.300 0.037 0.000 0.987 303 D CA 1.779 55.799 54.000 0.033 0.000 0.829 303 D CB 0.174 40.986 40.800 0.020 0.000 0.961 303 D HN 0.607 nan 8.370 nan 0.000 0.460 304 E N -0.518 119.708 120.200 0.043 0.000 2.336 304 E HA 0.542 4.895 4.350 0.006 0.000 0.267 304 E C -0.704 175.939 176.600 0.072 0.000 0.906 304 E CA -0.722 55.705 56.400 0.045 0.000 0.781 304 E CB 1.558 31.275 29.700 0.028 0.000 1.261 304 E HN -0.088 nan 8.360 nan 0.000 0.436 305 V N 2.837 122.802 119.914 0.084 0.000 2.572 305 V HA 0.236 4.360 4.120 0.006 0.000 0.291 305 V C 0.187 176.339 176.094 0.097 0.000 1.039 305 V CA -0.135 62.240 62.300 0.124 0.000 1.055 305 V CB 0.612 32.514 31.823 0.131 0.000 0.969 305 V HN 0.669 nan 8.190 nan 0.000 0.482 306 K N 4.234 124.694 120.400 0.101 0.000 2.235 306 K HA 0.629 4.952 4.320 0.006 0.000 0.266 306 K C -0.612 176.055 176.600 0.111 0.000 0.980 306 K CA -0.543 55.795 56.287 0.086 0.000 0.849 306 K CB 2.069 34.607 32.500 0.063 0.000 1.098 306 K HN 0.607 nan 8.250 nan 0.000 0.445 307 V N -0.578 119.406 119.914 0.117 0.000 2.769 307 V HA 0.650 4.774 4.120 0.006 0.000 0.312 307 V C -0.697 175.498 176.094 0.169 0.000 1.058 307 V CA -0.660 61.734 62.300 0.157 0.000 0.952 307 V CB 1.649 33.565 31.823 0.155 0.000 1.019 307 V HN 0.942 nan 8.190 nan 0.000 0.445 308 D N 0.555 121.091 120.400 0.226 0.000 2.665 308 D HA 0.806 5.450 4.640 0.006 0.000 0.287 308 D C -0.106 176.373 176.300 0.298 0.000 1.266 308 D CA 0.156 54.291 54.000 0.226 0.000 0.830 308 D CB 1.176 42.081 40.800 0.175 0.000 1.356 308 D HN 1.994 nan 8.370 nan 0.000 0.437 309 G N -0.767 108.157 108.800 0.206 0.000 2.440 309 G HA2 0.292 4.256 3.960 0.006 0.000 0.684 309 G HA3 0.292 4.256 3.960 0.006 0.000 0.684 309 G C -3.068 171.827 174.900 -0.009 0.000 1.309 309 G CA -0.551 44.545 45.100 -0.006 0.000 0.931 309 G HN 0.691 nan 8.290 nan 0.000 0.612 310 P HA 0.562 nan 4.420 nan 0.000 0.284 310 P C -0.370 176.881 177.300 -0.082 0.000 1.258 310 P CA -0.505 62.269 63.100 -0.543 0.000 0.824 310 P CB 0.783 32.222 31.700 -0.434 0.000 1.038 311 W N 0.254 121.440 121.300 -0.189 0.000 2.706 311 W HA 0.576 5.241 4.660 0.009 0.000 0.346 311 W C -1.024 175.465 176.519 -0.051 0.000 1.071 311 W CA -1.173 56.125 57.345 -0.078 0.000 1.206 311 W CB 0.849 30.285 29.460 -0.040 0.000 1.413 311 W HN 0.269 nan 8.180 nan 0.000 0.542 312 S N 1.478 117.319 115.700 0.235 0.000 2.525 312 S HA 0.312 4.785 4.470 0.006 0.000 0.278 312 S C 0.945 175.651 174.600 0.177 0.000 1.234 312 S CA -0.650 57.610 58.200 0.100 0.000 1.058 312 S CB 0.887 64.167 63.200 0.133 0.000 0.983 312 S HN 0.533 nan 8.310 nan 0.000 0.495 313 L N 3.898 125.136 121.223 0.025 0.000 2.465 313 L HA 0.139 4.483 4.340 0.006 0.000 0.224 313 L C 0.011 177.064 176.870 0.305 0.000 1.145 313 L CA 0.630 55.564 54.840 0.158 0.000 0.834 313 L CB -0.325 41.787 42.059 0.088 0.000 0.944 313 L HN 0.472 nan 8.230 nan 0.000 0.451 314 L N 0.496 121.865 121.223 0.244 0.000 2.317 314 L HA 0.304 4.648 4.340 0.006 0.000 0.281 314 L C -0.162 176.800 176.870 0.154 0.000 1.024 314 L CA -0.838 54.154 54.840 0.253 0.000 0.810 314 L CB 1.286 43.484 42.059 0.232 0.000 1.240 314 L HN 0.114 nan 8.230 nan 0.000 0.427 315 N N 0.148 118.905 118.700 0.096 0.000 2.476 315 N HA 0.127 4.870 4.740 0.006 0.000 0.287 315 N C 0.249 175.802 175.510 0.071 0.000 1.262 315 N CA -0.575 52.505 53.050 0.051 0.000 0.980 315 N CB 0.505 38.983 38.487 -0.015 0.000 1.163 315 N HN 0.395 nan 8.380 nan 0.000 0.592 316 D N -0.643 119.788 120.400 0.052 0.000 2.123 316 D HA -0.190 4.454 4.640 0.006 0.000 0.196 316 D C 1.326 177.674 176.300 0.081 0.000 0.992 316 D CA 1.299 55.336 54.000 0.062 0.000 0.833 316 D CB -0.172 40.654 40.800 0.042 0.000 0.954 316 D HN 0.811 nan 8.370 nan 0.000 0.455 317 E N 0.363 120.602 120.200 0.065 0.000 2.077 317 E HA -0.182 4.172 4.350 0.006 0.000 0.193 317 E C 1.246 177.947 176.600 0.167 0.000 0.989 317 E CA 1.123 57.575 56.400 0.087 0.000 0.800 317 E CB 0.176 29.899 29.700 0.039 0.000 0.746 317 E HN 0.149 nan 8.360 nan 0.000 0.452 318 D N 0.765 121.260 120.400 0.158 0.000 2.104 318 D HA -0.168 4.476 4.640 0.006 0.000 0.194 318 D C 1.880 178.419 176.300 0.398 0.000 0.994 318 D CA 1.207 55.402 54.000 0.325 0.000 0.830 318 D CB -0.180 40.794 40.800 0.291 0.000 0.959 318 D HN 0.204 nan 8.370 nan 0.000 0.452 319 K N 0.738 121.286 120.400 0.247 0.000 2.057 319 K HA -0.051 4.273 4.320 0.006 0.000 0.207 319 K C 2.163 178.864 176.600 0.169 0.000 1.049 319 K CA 1.154 57.558 56.287 0.195 0.000 0.931 319 K CB -0.124 32.456 32.500 0.134 0.000 0.714 319 K HN 0.033 nan 8.250 nan 0.000 0.440 320 A N 1.689 124.604 122.820 0.158 0.000 2.019 320 A HA -0.170 4.154 4.320 0.006 0.000 0.219 320 A C 1.551 179.215 177.584 0.133 0.000 1.164 320 A CA 1.452 53.564 52.037 0.125 0.000 0.644 320 A CB -0.176 18.887 19.000 0.106 0.000 0.805 320 A HN 0.214 nan 8.150 nan 0.000 0.449 321 K N -0.448 120.076 120.400 0.207 0.000 2.387 321 K HA 0.112 4.436 4.320 0.006 0.000 0.198 321 K C -0.270 176.336 176.600 0.009 0.000 1.022 321 K CA 0.007 56.379 56.287 0.141 0.000 1.128 321 K CB 0.183 32.846 32.500 0.273 0.000 0.853 321 K HN 0.395 nan 8.250 nan 0.000 0.523 322 N N 0.526 119.283 118.700 0.094 0.000 2.740 322 N HA -0.163 4.580 4.740 0.006 0.000 0.248 322 N C -1.309 174.180 175.510 -0.036 0.000 1.062 322 N CA 0.739 53.812 53.050 0.038 0.000 0.704 322 N CB -1.190 37.291 38.487 -0.010 0.000 0.968 322 N HN 0.269 nan 8.380 nan 0.000 0.547 323 W N 0.617 121.922 121.300 0.007 0.000 2.251 323 W HA 0.342 5.006 4.660 0.006 0.000 0.327 323 W C 1.122 177.509 176.519 -0.219 0.000 1.361 323 W CA -0.134 57.148 57.345 -0.105 0.000 1.234 323 W CB 0.629 30.107 29.460 0.029 0.000 1.212 323 W HN 0.049 nan 8.180 nan 0.000 0.557 324 V N 1.895 121.675 119.914 -0.224 0.000 3.159 324 V HA 0.678 4.802 4.120 0.006 0.000 0.308 324 V C -2.831 173.014 176.094 -0.415 0.000 1.190 324 V CA -3.492 58.650 62.300 -0.263 0.000 1.037 324 V CB 1.795 33.496 31.823 -0.203 0.000 1.060 324 V HN 0.214 nan 8.190 nan 0.000 0.437 325 P HA 0.627 nan 4.420 nan 0.000 0.274 325 P C -0.157 177.097 177.300 -0.075 0.000 1.237 325 P CA 0.303 63.257 63.100 -0.245 0.000 0.793 325 P CB 1.019 32.522 31.700 -0.328 0.000 0.977 326 G N -0.789 108.000 108.800 -0.020 0.000 2.732 326 G HA2 0.633 4.597 3.960 0.006 0.000 0.296 326 G HA3 0.633 4.597 3.960 0.006 0.000 0.296 326 G C -0.910 173.995 174.900 0.007 0.000 1.448 326 G CA -0.137 45.028 45.100 0.109 0.000 0.911 326 G HN 0.796 nan 8.290 nan 0.000 0.528 327 G N -0.542 108.225 108.800 -0.055 0.000 2.320 327 G HA2 0.358 4.322 3.960 0.006 0.000 0.274 327 G HA3 0.358 4.322 3.960 0.006 0.000 0.274 327 G C -0.564 174.244 174.900 -0.153 0.000 1.324 327 G CA 0.115 45.196 45.100 -0.033 0.000 0.957 327 G HN 0.747 nan 8.290 nan 0.000 0.481 328 Y N 0.003 120.405 120.300 0.170 0.000 3.052 328 Y HA 0.388 4.936 4.550 -0.002 0.000 0.176 328 Y C 1.589 177.644 175.900 0.257 0.000 0.916 328 Y CA 0.188 58.387 58.100 0.165 0.000 1.720 328 Y CB 0.269 38.640 38.460 -0.148 0.000 1.299 328 Y HN 0.311 nan 8.280 nan 0.000 0.428 329 N N 3.085 121.980 118.700 0.326 0.000 3.050 329 N HA 0.106 4.850 4.740 0.006 0.000 0.289 329 N C 0.499 176.134 175.510 0.207 0.000 1.209 329 N CA 0.247 53.459 53.050 0.269 0.000 1.154 329 N CB 0.139 38.742 38.487 0.193 0.000 1.444 329 N HN 0.490 nan 8.380 nan 0.000 0.529 330 L N -0.866 120.438 121.223 0.136 0.000 2.607 330 L HA 0.302 4.646 4.340 0.006 0.000 0.228 330 L C 0.302 177.000 176.870 -0.286 0.000 1.123 330 L CA -0.077 54.776 54.840 0.021 0.000 0.890 330 L CB 0.226 42.263 42.059 -0.036 0.000 1.103 330 L HN -0.066 nan 8.230 nan 0.000 0.468 331 V N -2.593 117.221 119.914 -0.167 0.000 3.102 331 V HA 1.051 5.175 4.120 0.006 0.000 0.312 331 V C -0.128 175.919 176.094 -0.079 0.000 1.135 331 V CA 0.069 62.273 62.300 -0.161 0.000 1.022 331 V CB 1.254 33.018 31.823 -0.099 0.000 1.056 331 V HN 0.122 nan 8.190 nan 0.000 0.436 332 G N 0.576 109.366 108.800 -0.016 0.000 2.677 332 G HA2 0.668 4.632 3.960 0.006 0.000 0.291 332 G HA3 0.668 4.632 3.960 0.006 0.000 0.291 332 G C -2.358 172.631 174.900 0.149 0.000 1.435 332 G CA -0.748 44.380 45.100 0.046 0.000 0.826 332 G HN 1.192 nan 8.290 nan 0.000 0.491 333 L N 0.787 122.092 121.223 0.137 0.000 2.385 333 L HA 0.531 4.875 4.340 0.006 0.000 0.273 333 L C -0.452 176.530 176.870 0.187 0.000 0.990 333 L CA -0.850 54.094 54.840 0.174 0.000 0.821 333 L CB 1.897 44.023 42.059 0.112 0.000 1.279 333 L HN 0.721 nan 8.230 nan 0.000 0.412 334 H N 5.055 124.234 119.070 0.182 0.000 2.820 334 H HA 0.271 4.831 4.556 0.006 0.000 0.278 334 H C 0.523 175.895 175.328 0.073 0.000 1.142 334 H CA -0.005 56.112 56.048 0.115 0.000 1.346 334 H CB 0.876 30.755 29.762 0.194 0.000 1.438 334 H HN 0.735 nan 8.280 nan 0.000 0.473 335 R N 2.990 123.347 120.500 -0.239 0.000 2.081 335 R HA -0.103 4.240 4.340 0.006 0.000 0.235 335 R C 2.198 178.406 176.300 -0.153 0.000 1.131 335 R CA 1.337 57.355 56.100 -0.136 0.000 0.960 335 R CB 0.032 30.269 30.300 -0.106 0.000 0.856 335 R HN 0.583 nan 8.270 nan 0.000 0.436 336 A N 0.913 123.544 122.820 -0.315 0.000 1.969 336 A HA -0.151 4.173 4.320 0.006 0.000 0.218 336 A C 2.133 179.722 177.584 0.008 0.000 1.169 336 A CA 1.877 53.830 52.037 -0.140 0.000 0.635 336 A CB -0.263 18.656 19.000 -0.134 0.000 0.810 336 A HN 0.433 nan 8.150 nan 0.000 0.445 337 S N -2.830 112.952 115.700 0.136 0.000 2.502 337 S HA 0.396 4.870 4.470 0.006 0.000 0.215 337 S C 1.467 176.123 174.600 0.093 0.000 1.009 337 S CA 1.108 59.413 58.200 0.176 0.000 0.908 337 S CB -0.044 63.334 63.200 0.296 0.000 0.801 337 S HN 1.875 nan 8.310 nan 0.000 0.505 338 G N 1.758 110.606 108.800 0.080 0.000 2.148 338 G HA2 -0.280 3.684 3.960 0.006 0.000 0.254 338 G HA3 -0.280 3.684 3.960 0.006 0.000 0.254 338 G C 0.057 174.962 174.900 0.009 0.000 0.981 338 G CA 0.038 45.157 45.100 0.032 0.000 0.670 338 G HN 0.579 nan 8.290 nan 0.000 0.528 339 R N -0.277 120.265 120.500 0.069 0.000 2.389 339 R HA 0.513 4.857 4.340 0.006 0.000 0.295 339 R C 0.494 176.752 176.300 -0.070 0.000 1.075 339 R CA -0.079 55.989 56.100 -0.054 0.000 1.005 339 R CB 0.758 31.005 30.300 -0.088 0.000 0.987 339 R HN 0.421 nan 8.270 nan 0.000 0.452 340 M N 3.473 122.948 119.600 -0.209 0.000 2.268 340 M HA 0.318 4.801 4.480 0.006 0.000 0.344 340 M C -1.572 174.523 176.300 -0.343 0.000 1.106 340 M CA -0.631 54.585 55.300 -0.140 0.000 1.010 340 M CB 1.010 33.547 32.600 -0.105 0.000 1.649 340 M HN 0.433 nan 8.290 nan 0.000 0.443 341 Y N 3.566 123.814 120.300 -0.087 0.000 2.341 341 Y HA 0.667 5.221 4.550 0.005 0.000 0.337 341 Y C -0.590 175.172 175.900 -0.230 0.000 1.014 341 Y CA -0.737 57.278 58.100 -0.142 0.000 1.111 341 Y CB 1.694 40.048 38.460 -0.178 0.000 1.194 341 Y HN 0.393 nan 8.280 nan 0.000 0.462 342 V N 3.842 123.672 119.914 -0.141 0.000 2.733 342 V HA 0.347 4.471 4.120 0.006 0.000 0.306 342 V C -0.767 175.201 176.094 -0.210 0.000 1.084 342 V CA -1.543 60.614 62.300 -0.238 0.000 0.905 342 V CB 1.700 33.414 31.823 -0.182 0.000 1.010 342 V HN 0.580 nan 8.190 nan 0.000 0.424 343 F N 4.909 124.791 119.950 -0.114 0.000 2.456 343 F HA 0.589 5.118 4.527 0.004 0.000 0.358 343 F C 0.492 176.182 175.800 -0.183 0.000 1.095 343 F CA -0.079 57.861 58.000 -0.101 0.000 1.216 343 F CB 0.961 39.928 39.000 -0.056 0.000 1.125 343 F HN 0.243 nan 8.300 nan 0.000 0.549 344 M N 4.210 123.830 119.600 0.032 0.000 2.550 344 M HA 0.375 4.858 4.480 0.006 0.000 0.292 344 M C -0.634 175.789 176.300 0.206 0.000 1.221 344 M CA -0.646 54.575 55.300 -0.132 0.000 0.873 344 M CB 2.500 34.634 32.600 -0.777 0.000 1.727 344 M HN 0.640 nan 8.290 nan 0.000 0.459 345 H N -0.372 118.744 119.070 0.076 0.000 3.012 345 H HA 0.680 5.239 4.556 0.006 0.000 0.367 345 H C -3.299 171.691 175.328 -0.562 0.000 1.211 345 H CA -1.751 54.212 56.048 -0.142 0.000 1.139 345 H CB 1.858 31.595 29.762 -0.042 0.000 1.838 345 H HN 0.285 nan 8.280 nan 0.000 0.550 346 P HA 0.080 nan 4.420 nan 0.000 0.282 346 P C -0.539 176.525 177.300 -0.394 0.000 1.287 346 P CA -0.125 62.298 63.100 -1.128 0.000 0.792 346 P CB 0.791 31.759 31.700 -1.221 0.000 1.163 347 D N -2.626 117.598 120.400 -0.294 0.000 2.772 347 D HA -0.130 4.514 4.640 0.006 0.000 0.233 347 D C 0.742 177.011 176.300 -0.053 0.000 1.143 347 D CA 1.338 55.273 54.000 -0.109 0.000 0.700 347 D CB -2.051 38.718 40.800 -0.052 0.000 1.076 347 D HN 0.643 nan 8.370 nan 0.000 0.430 348 G N 0.444 109.186 108.800 -0.097 0.000 2.432 348 G HA2 0.364 4.328 3.960 0.006 0.000 0.239 348 G HA3 0.364 4.328 3.960 0.006 0.000 0.239 348 G C 0.504 175.394 174.900 -0.016 0.000 1.291 348 G CA 0.256 45.313 45.100 -0.072 0.000 0.863 348 G HN 0.441 nan 8.290 nan 0.000 0.560 349 K N 0.174 120.560 120.400 -0.023 0.000 2.614 349 K HA 0.449 4.773 4.320 0.006 0.000 0.293 349 K C -1.061 175.553 176.600 0.022 0.000 1.045 349 K CA -1.053 55.250 56.287 0.027 0.000 0.880 349 K CB 0.864 33.371 32.500 0.012 0.000 1.552 349 K HN 0.321 nan 8.250 nan 0.000 0.404 350 E N 0.192 120.433 120.200 0.069 0.000 2.493 350 E HA 0.235 4.589 4.350 0.006 0.000 0.255 350 E C 0.740 177.362 176.600 0.037 0.000 0.999 350 E CA 2.206 58.657 56.400 0.086 0.000 0.934 350 E CB -0.160 29.596 29.700 0.093 0.000 0.940 350 E HN 0.842 nan 8.360 nan 0.000 0.473 351 G N 3.015 111.859 108.800 0.074 0.000 2.179 351 G HA2 -0.272 3.692 3.960 0.006 0.000 0.220 351 G HA3 -0.272 3.692 3.960 0.006 0.000 0.220 351 G C 0.722 175.445 174.900 -0.295 0.000 0.990 351 G CA 0.548 45.637 45.100 -0.019 0.000 0.646 351 G HN 0.889 nan 8.290 nan 0.000 0.517 352 T N -1.661 112.633 114.554 -0.434 0.000 3.134 352 T HA 0.230 4.584 4.350 0.006 0.000 0.260 352 T C 1.775 176.121 174.700 -0.590 0.000 1.027 352 T CA 0.878 62.325 62.100 -1.087 0.000 0.913 352 T CB -0.488 67.645 68.868 -1.224 0.000 1.046 352 T HN 0.723 nan 8.240 nan 0.000 0.553 353 H N 1.234 120.083 119.070 -0.369 0.000 2.545 353 H HA 0.213 4.769 4.556 -0.000 0.000 0.282 353 H C 0.884 176.155 175.328 -0.094 0.000 1.020 353 H CA 0.465 56.343 56.048 -0.282 0.000 1.243 353 H CB -0.119 29.055 29.762 -0.979 0.000 1.377 353 H HN 0.408 nan 8.280 nan 0.000 0.581 354 K N 0.328 120.511 120.400 -0.362 0.000 2.455 354 K HA 0.157 4.481 4.320 0.006 0.000 0.206 354 K C -0.645 175.924 176.600 -0.051 0.000 1.027 354 K CA -0.540 55.566 56.287 -0.302 0.000 1.113 354 K CB 0.496 32.722 32.500 -0.457 0.000 0.850 354 K HN -0.066 nan 8.250 nan 0.000 0.503 355 F N 2.440 122.172 119.950 -0.364 0.000 2.506 355 F HA 0.141 4.670 4.527 0.003 0.000 0.351 355 F C -1.747 173.863 175.800 -0.317 0.000 1.136 355 F CA -2.857 54.884 58.000 -0.431 0.000 1.298 355 F CB -0.099 38.391 39.000 -0.850 0.000 1.145 355 F HN -0.073 nan 8.300 nan 0.000 0.593 356 P HA 0.111 nan 4.420 nan 0.000 0.269 356 P C -1.096 176.143 177.300 -0.103 0.000 1.217 356 P CA -0.296 62.713 63.100 -0.152 0.000 0.783 356 P CB 0.406 32.000 31.700 -0.176 0.000 0.898 357 A N 2.262 124.983 122.820 -0.166 0.000 2.451 357 A HA 0.382 4.706 4.320 0.006 0.000 0.266 357 A C 1.488 179.109 177.584 0.061 0.000 1.119 357 A CA 0.393 52.411 52.037 -0.031 0.000 0.786 357 A CB -0.503 18.390 19.000 -0.178 0.000 1.061 357 A HN 0.584 nan 8.150 nan 0.000 0.503 358 A N 2.729 125.659 122.820 0.183 0.000 1.929 358 A HA 0.150 4.474 4.320 0.006 0.000 0.216 358 A C 0.842 178.613 177.584 0.311 0.000 1.176 358 A CA 1.228 53.402 52.037 0.227 0.000 0.628 358 A CB -0.022 19.130 19.000 0.252 0.000 0.816 358 A HN 0.829 nan 8.150 nan 0.000 0.444 359 E N -1.651 118.776 120.200 0.379 0.000 2.408 359 E HA 0.573 4.927 4.350 0.006 0.000 0.275 359 E C -1.629 175.169 176.600 0.331 0.000 0.935 359 E CA -0.691 55.932 56.400 0.371 0.000 0.775 359 E CB 1.969 31.962 29.700 0.489 0.000 1.277 359 E HN 0.257 nan 8.360 nan 0.000 0.455 360 I N 1.620 122.387 120.570 0.328 0.000 2.336 360 I HA 0.322 4.495 4.170 0.006 0.000 0.292 360 I C -0.810 175.525 176.117 0.364 0.000 0.991 360 I CA -0.677 60.796 61.300 0.289 0.000 1.227 360 I CB 0.608 38.719 38.000 0.184 0.000 1.366 360 I HN 0.239 nan 8.210 nan 0.000 0.466 361 W N 5.536 126.809 121.300 -0.045 0.000 2.512 361 W HA 0.559 5.225 4.660 0.010 0.000 0.335 361 W C -0.556 175.846 176.519 -0.195 0.000 1.088 361 W CA -1.022 56.248 57.345 -0.125 0.000 1.236 361 W CB 1.113 30.488 29.460 -0.142 0.000 1.307 361 W HN -0.004 nan 8.180 nan 0.000 0.567 362 V N 5.515 125.403 119.914 -0.044 0.000 2.378 362 V HA 0.421 4.545 4.120 0.006 0.000 0.288 362 V C -0.052 175.916 176.094 -0.209 0.000 1.016 362 V CA -0.925 61.185 62.300 -0.317 0.000 0.840 362 V CB 1.008 32.609 31.823 -0.370 0.000 0.994 362 V HN 0.336 nan 8.190 nan 0.000 0.431 363 M N 3.293 122.776 119.600 -0.195 0.000 2.364 363 M HA 0.469 4.953 4.480 0.006 0.000 0.334 363 M C -0.499 175.746 176.300 -0.092 0.000 1.107 363 M CA -0.750 54.518 55.300 -0.053 0.000 0.988 363 M CB 1.597 34.268 32.600 0.119 0.000 1.673 363 M HN 0.581 nan 8.290 nan 0.000 0.441 364 D N 2.260 122.611 120.400 -0.082 0.000 2.339 364 D HA 0.131 4.775 4.640 0.006 0.000 0.241 364 D C 0.947 177.174 176.300 -0.123 0.000 1.183 364 D CA 0.114 54.054 54.000 -0.101 0.000 0.859 364 D CB 1.197 41.933 40.800 -0.107 0.000 1.067 364 D HN 0.762 nan 8.370 nan 0.000 0.484 365 T N 1.320 115.810 114.554 -0.108 0.000 3.035 365 T HA -0.063 4.290 4.350 0.006 0.000 0.268 365 T C 1.495 176.067 174.700 -0.214 0.000 1.109 365 T CA 0.782 62.803 62.100 -0.131 0.000 1.119 365 T CB 0.216 68.963 68.868 -0.201 0.000 0.900 365 T HN 0.318 nan 8.240 nan 0.000 0.503 366 K N 1.211 121.509 120.400 -0.169 0.000 2.067 366 K HA 0.004 4.327 4.320 0.006 0.000 0.203 366 K C 2.796 179.261 176.600 -0.227 0.000 1.048 366 K CA 1.615 57.806 56.287 -0.160 0.000 0.954 366 K CB -0.309 32.133 32.500 -0.097 0.000 0.737 366 K HN 0.546 nan 8.250 nan 0.000 0.444 367 T N -1.099 113.323 114.554 -0.220 0.000 3.067 367 T HA 0.047 4.401 4.350 0.006 0.000 0.261 367 T C 0.464 174.963 174.700 -0.335 0.000 1.110 367 T CA 0.210 62.176 62.100 -0.224 0.000 1.113 367 T CB -0.175 68.600 68.868 -0.156 0.000 0.917 367 T HN 0.155 nan 8.240 nan 0.000 0.499 368 K N 0.719 120.811 120.400 -0.514 0.000 3.129 368 K HA -0.124 4.199 4.320 0.006 0.000 0.273 368 K C -0.683 175.729 176.600 -0.314 0.000 1.123 368 K CA 0.457 56.222 56.287 -0.870 0.000 0.800 368 K CB -1.169 30.610 32.500 -1.202 0.000 1.238 368 K HN 0.496 nan 8.250 nan 0.000 0.492 369 Q N 0.531 120.231 119.800 -0.167 0.000 2.377 369 Q HA 0.335 4.679 4.340 0.006 0.000 0.271 369 Q C -0.324 175.646 176.000 -0.050 0.000 1.077 369 Q CA -0.800 54.957 55.803 -0.076 0.000 0.820 369 Q CB 1.972 30.647 28.738 -0.104 0.000 1.347 369 Q HN 0.215 nan 8.270 nan 0.000 0.444 370 R N 0.846 121.305 120.500 -0.069 0.000 2.389 370 R HA 0.194 4.538 4.340 0.006 0.000 0.295 370 R C 0.804 177.005 176.300 -0.165 0.000 1.075 370 R CA 0.135 56.153 56.100 -0.136 0.000 1.005 370 R CB 0.444 30.574 30.300 -0.282 0.000 0.987 370 R HN 0.553 nan 8.270 nan 0.000 0.452 371 V N 0.569 120.386 119.914 -0.161 0.000 3.645 371 V HA 0.533 4.657 4.120 0.006 0.000 0.275 371 V C 0.179 176.183 176.094 -0.149 0.000 1.356 371 V CA 0.572 62.786 62.300 -0.144 0.000 1.051 371 V CB 0.248 31.998 31.823 -0.120 0.000 0.828 371 V HN 0.694 nan 8.190 nan 0.000 0.441 372 A N 1.295 124.009 122.820 -0.177 0.000 2.612 372 A HA 0.893 5.217 4.320 0.006 0.000 0.293 372 A C -0.808 176.657 177.584 -0.198 0.000 1.075 372 A CA -0.831 51.112 52.037 -0.156 0.000 0.680 372 A CB 1.543 20.489 19.000 -0.090 0.000 1.279 372 A HN 0.648 nan 8.150 nan 0.000 0.411 373 R N 0.739 121.132 120.500 -0.177 0.000 2.564 373 R HA 0.796 5.140 4.340 0.006 0.000 0.284 373 R C -1.201 175.091 176.300 -0.012 0.000 1.031 373 R CA -0.514 55.502 56.100 -0.140 0.000 0.904 373 R CB 1.175 31.227 30.300 -0.414 0.000 1.199 373 R HN 1.202 nan 8.270 nan 0.000 0.443 374 I N -1.896 118.727 120.570 0.089 0.000 3.074 374 I HA 0.642 4.816 4.170 0.006 0.000 0.310 374 I C -2.829 173.389 176.117 0.168 0.000 1.153 374 I CA -3.363 58.004 61.300 0.111 0.000 0.993 374 I CB 2.639 40.703 38.000 0.106 0.000 1.237 374 I HN 0.334 nan 8.210 nan 0.000 0.443 375 P HA 0.137 nan 4.420 nan 0.000 0.266 375 P C 0.597 178.016 177.300 0.198 0.000 1.195 375 P CA 0.105 63.314 63.100 0.182 0.000 0.768 375 P CB 0.847 32.637 31.700 0.151 0.000 0.838 376 G N 2.842 111.754 108.800 0.187 0.000 2.623 376 G HA2 -0.124 3.839 3.960 0.006 0.000 0.214 376 G HA3 -0.124 3.839 3.960 0.006 0.000 0.214 376 G C 0.421 175.375 174.900 0.089 0.000 1.138 376 G CA -0.230 44.964 45.100 0.157 0.000 0.794 376 G HN 0.533 nan 8.290 nan 0.000 0.535 377 R N 0.074 120.626 120.500 0.087 0.000 3.627 377 R HA -0.165 4.179 4.340 0.006 0.000 0.281 377 R C -0.123 176.162 176.300 -0.026 0.000 1.140 377 R CA 0.559 56.687 56.100 0.046 0.000 0.761 377 R CB -1.932 28.420 30.300 0.087 0.000 1.181 377 R HN 0.345 nan 8.270 nan 0.000 0.472 378 D N -2.793 117.572 120.400 -0.058 0.000 2.911 378 D HA -0.205 4.439 4.640 0.006 0.000 0.227 378 D C 0.331 176.509 176.300 -0.204 0.000 1.164 378 D CA 1.683 55.611 54.000 -0.119 0.000 0.782 378 D CB -1.074 39.667 40.800 -0.097 0.000 1.094 378 D HN 0.689 nan 8.370 nan 0.000 0.425 379 A N -0.407 122.224 122.820 -0.316 0.000 2.386 379 A HA 0.519 4.843 4.320 0.006 0.000 0.248 379 A C 1.373 178.490 177.584 -0.779 0.000 1.082 379 A CA -0.040 51.687 52.037 -0.517 0.000 0.789 379 A CB 0.526 19.157 19.000 -0.615 0.000 1.025 379 A HN 0.255 nan 8.150 nan 0.000 0.490 380 L N 0.307 121.241 121.223 -0.480 0.000 2.730 380 L HA 0.200 4.544 4.340 0.006 0.000 0.236 380 L C 0.517 177.479 176.870 0.154 0.000 1.061 380 L CA 0.414 55.150 54.840 -0.173 0.000 0.898 380 L CB 0.436 42.525 42.059 0.050 0.000 1.270 380 L HN 0.611 nan 8.230 nan 0.000 0.500 381 S N 0.296 116.131 115.700 0.225 0.000 2.599 381 S HA 0.806 5.279 4.470 0.006 0.000 0.287 381 S C -0.646 174.224 174.600 0.450 0.000 1.105 381 S CA -0.628 57.803 58.200 0.385 0.000 0.899 381 S CB 2.494 65.788 63.200 0.156 0.000 1.100 381 S HN 0.172 nan 8.310 nan 0.000 0.482 382 M N 0.009 119.787 119.600 0.296 0.000 2.716 382 M HA 0.855 5.339 4.480 0.006 0.000 0.278 382 M C -1.049 175.304 176.300 0.088 0.000 1.281 382 M CA -0.550 54.852 55.300 0.170 0.000 0.814 382 M CB 2.046 34.644 32.600 -0.004 0.000 1.719 382 M HN 0.515 nan 8.290 nan 0.000 0.457 383 T N 0.595 115.195 114.554 0.077 0.000 2.885 383 T HA 0.678 5.031 4.350 0.006 0.000 0.322 383 T C -1.978 172.813 174.700 0.152 0.000 1.387 383 T CA -0.639 61.526 62.100 0.109 0.000 1.041 383 T CB 1.642 70.590 68.868 0.133 0.000 1.287 383 T HN 0.610 nan 8.240 nan 0.000 0.491 384 I N 3.109 123.756 120.570 0.128 0.000 2.474 384 I HA 0.456 4.629 4.170 0.006 0.000 0.294 384 I C -0.212 175.901 176.117 -0.007 0.000 1.005 384 I CA -0.731 60.596 61.300 0.046 0.000 1.113 384 I CB 1.882 39.867 38.000 -0.025 0.000 1.289 384 I HN 0.709 nan 8.210 nan 0.000 0.436 385 D N 5.319 125.572 120.400 -0.244 0.000 2.381 385 D HA 0.188 4.832 4.640 0.006 0.000 0.235 385 D C 0.466 176.615 176.300 -0.252 0.000 1.068 385 D CA -0.344 53.357 54.000 -0.498 0.000 0.832 385 D CB 1.793 41.795 40.800 -1.330 0.000 1.101 385 D HN 0.358 nan 8.370 nan 0.000 0.515 386 Q N 2.423 122.125 119.800 -0.163 0.000 2.245 386 Q HA -0.099 4.245 4.340 0.006 0.000 0.201 386 Q C 1.371 177.312 176.000 -0.098 0.000 0.955 386 Q CA 1.081 56.811 55.803 -0.122 0.000 0.870 386 Q CB 0.150 28.814 28.738 -0.124 0.000 0.945 386 Q HN 0.536 nan 8.270 nan 0.000 0.461 387 Q N -0.013 119.717 119.800 -0.117 0.000 2.245 387 Q HA 0.004 4.348 4.340 0.006 0.000 0.201 387 Q C 1.173 177.135 176.000 -0.063 0.000 0.955 387 Q CA 0.935 56.693 55.803 -0.076 0.000 0.870 387 Q CB 0.316 29.017 28.738 -0.063 0.000 0.945 387 Q HN 0.055 nan 8.270 nan 0.000 0.461 388 R N -0.004 120.425 120.500 -0.117 0.000 2.476 388 R HA 0.228 4.572 4.340 0.006 0.000 0.276 388 R C -0.699 175.566 176.300 -0.058 0.000 0.941 388 R CA -0.069 55.983 56.100 -0.080 0.000 1.088 388 R CB 0.405 30.641 30.300 -0.107 0.000 1.216 388 R HN 0.104 nan 8.270 nan 0.000 0.533 389 N N 0.973 119.651 118.700 -0.037 0.000 2.708 389 N HA -0.198 4.546 4.740 0.006 0.000 0.255 389 N C -1.107 174.371 175.510 -0.053 0.000 1.046 389 N CA 0.903 53.971 53.050 0.030 0.000 0.715 389 N CB -1.251 37.276 38.487 0.067 0.000 0.895 389 N HN 0.227 nan 8.380 nan 0.000 0.545 390 L N -0.223 120.931 121.223 -0.115 0.000 2.354 390 L HA 0.667 5.010 4.340 0.006 0.000 0.264 390 L C 0.196 177.043 176.870 -0.039 0.000 1.008 390 L CA -0.675 54.121 54.840 -0.074 0.000 0.819 390 L CB 2.313 44.303 42.059 -0.115 0.000 1.339 390 L HN 0.156 nan 8.230 nan 0.000 0.420 391 M N 2.917 122.544 119.600 0.044 0.000 2.326 391 M HA 0.571 5.055 4.480 0.006 0.000 0.306 391 M C -1.905 174.523 176.300 0.213 0.000 1.054 391 M CA -0.492 54.836 55.300 0.046 0.000 0.922 391 M CB 1.885 34.365 32.600 -0.200 0.000 1.632 391 M HN 0.468 nan 8.290 nan 0.000 0.436 392 L N 3.640 124.973 121.223 0.183 0.000 2.322 392 L HA 0.710 5.054 4.340 0.006 0.000 0.279 392 L C 0.136 177.112 176.870 0.176 0.000 1.036 392 L CA -0.681 54.231 54.840 0.120 0.000 0.807 392 L CB 1.941 43.940 42.059 -0.100 0.000 1.226 392 L HN 0.799 nan 8.230 nan 0.000 0.433 393 T N 0.433 115.133 114.554 0.244 0.000 2.916 393 T HA 0.777 5.131 4.350 0.006 0.000 0.292 393 T C -1.016 173.767 174.700 0.137 0.000 1.064 393 T CA -0.797 61.473 62.100 0.284 0.000 1.011 393 T CB 2.214 71.343 68.868 0.434 0.000 1.152 393 T HN 0.373 nan 8.240 nan 0.000 0.510 394 L N 1.976 123.254 121.223 0.092 0.000 2.505 394 L HA 0.574 4.918 4.340 0.006 0.000 0.266 394 L C -0.639 176.199 176.870 -0.053 0.000 0.954 394 L CA -0.349 54.493 54.840 0.003 0.000 0.852 394 L CB 2.076 44.134 42.059 -0.000 0.000 1.282 394 L HN 0.881 nan 8.230 nan 0.000 0.403 395 D N 2.005 122.361 120.400 -0.073 0.000 2.363 395 D HA 0.407 5.051 4.640 0.006 0.000 0.214 395 D C 1.108 177.348 176.300 -0.100 0.000 1.093 395 D CA 0.542 54.480 54.000 -0.103 0.000 0.837 395 D CB 0.772 41.516 40.800 -0.093 0.000 0.948 395 D HN 0.940 nan 8.370 nan 0.000 0.507 396 G N -0.859 107.884 108.800 -0.096 0.000 2.339 396 G HA2 -0.168 3.796 3.960 0.006 0.000 0.209 396 G HA3 -0.168 3.796 3.960 0.006 0.000 0.209 396 G C 1.067 175.922 174.900 -0.076 0.000 1.015 396 G CA 0.057 45.094 45.100 -0.105 0.000 0.635 396 G HN 0.763 nan 8.290 nan 0.000 0.499 397 G N -0.130 108.633 108.800 -0.063 0.000 2.597 397 G HA2 0.405 4.368 3.960 0.006 0.000 0.196 397 G HA3 0.405 4.368 3.960 0.006 0.000 0.196 397 G C 0.111 174.978 174.900 -0.055 0.000 1.176 397 G CA 0.719 45.792 45.100 -0.044 0.000 0.747 397 G HN 0.583 nan 8.290 nan 0.000 0.821 398 N N -0.375 118.285 118.700 -0.067 0.000 2.314 398 N HA 0.593 5.337 4.740 0.006 0.000 0.304 398 N C -1.355 174.105 175.510 -0.083 0.000 1.073 398 N CA -0.525 52.475 53.050 -0.083 0.000 0.822 398 N CB 3.272 41.719 38.487 -0.066 0.000 1.280 398 N HN -0.100 nan 8.380 nan 0.000 0.489 399 V N 2.001 121.846 119.914 -0.114 0.000 2.384 399 V HA 0.351 4.475 4.120 0.006 0.000 0.287 399 V C -0.568 175.481 176.094 -0.076 0.000 1.020 399 V CA -0.862 61.381 62.300 -0.095 0.000 0.850 399 V CB 1.058 32.792 31.823 -0.149 0.000 0.987 399 V HN 0.682 nan 8.190 nan 0.000 0.436 400 N N 3.420 122.106 118.700 -0.024 0.000 2.421 400 N HA 0.493 5.237 4.740 0.006 0.000 0.285 400 N C -0.842 174.625 175.510 -0.073 0.000 1.027 400 N CA -0.328 52.676 53.050 -0.076 0.000 0.918 400 N CB 2.497 40.979 38.487 -0.008 0.000 1.152 400 N HN 0.366 nan 8.380 nan 0.000 0.485 401 V N 3.295 123.105 119.914 -0.173 0.000 2.370 401 V HA 0.362 4.486 4.120 0.006 0.000 0.283 401 V C -0.897 175.085 176.094 -0.187 0.000 1.023 401 V CA -0.583 61.679 62.300 -0.063 0.000 0.857 401 V CB -0.029 31.817 31.823 0.038 0.000 0.985 401 V HN 0.494 nan 8.190 nan 0.000 0.443 402 Y N 1.698 122.026 120.300 0.047 0.000 2.429 402 Y HA 0.481 5.035 4.550 0.006 0.000 0.342 402 Y C 0.133 176.041 175.900 0.014 0.000 1.004 402 Y CA -1.103 57.017 58.100 0.033 0.000 1.075 402 Y CB 1.557 40.029 38.460 0.021 0.000 1.214 402 Y HN 0.630 nan 8.280 nan 0.000 0.455 403 D N 3.661 124.164 120.400 0.172 0.000 2.317 403 D HA 0.183 4.827 4.640 0.006 0.000 0.252 403 D C 0.131 176.472 176.300 0.068 0.000 1.174 403 D CA -0.172 53.883 54.000 0.092 0.000 0.866 403 D CB 0.595 41.440 40.800 0.074 0.000 1.127 403 D HN 0.587 nan 8.370 nan 0.000 0.467 404 I N 1.021 121.581 120.570 -0.017 0.000 3.762 404 I HA 0.199 4.373 4.170 0.006 0.000 0.333 404 I C 1.053 177.068 176.117 -0.170 0.000 1.566 404 I CA -0.475 60.777 61.300 -0.080 0.000 1.129 404 I CB 0.220 38.095 38.000 -0.207 0.000 1.218 404 I HN 0.194 nan 8.210 nan 0.000 0.456 405 S N -0.249 115.393 115.700 -0.096 0.000 2.481 405 S HA 0.065 4.539 4.470 0.006 0.000 0.231 405 S C 0.808 175.365 174.600 -0.070 0.000 0.996 405 S CA 0.373 58.518 58.200 -0.092 0.000 0.942 405 S CB -0.296 62.893 63.200 -0.019 0.000 0.768 405 S HN 0.714 nan 8.310 nan 0.000 0.520 406 Q N 0.403 120.178 119.800 -0.043 0.000 2.359 406 Q HA 0.394 4.737 4.340 0.006 0.000 0.275 406 Q C -2.183 173.804 176.000 -0.022 0.000 1.082 406 Q CA -2.624 53.163 55.803 -0.026 0.000 0.849 406 Q CB 1.205 29.940 28.738 -0.006 0.000 1.377 406 Q HN -0.008 nan 8.270 nan 0.000 0.452 407 P HA -0.205 nan 4.420 nan 0.000 0.216 407 P C -0.344 176.948 177.300 -0.013 0.000 1.153 407 P CA 1.323 64.403 63.100 -0.033 0.000 0.858 407 P CB 0.254 31.924 31.700 -0.049 0.000 0.789 408 E N 0.260 120.458 120.200 -0.002 0.000 2.194 408 E HA 0.165 4.519 4.350 0.006 0.000 0.284 408 E C -2.260 174.376 176.600 0.060 0.000 1.035 408 E CA -2.660 53.752 56.400 0.020 0.000 0.836 408 E CB 0.405 30.112 29.700 0.013 0.000 1.070 408 E HN 0.043 nan 8.360 nan 0.000 0.401 409 P HA 0.066 nan 4.420 nan 0.000 0.271 409 P C -1.232 176.190 177.300 0.203 0.000 1.218 409 P CA -0.102 63.077 63.100 0.132 0.000 0.780 409 P CB 0.563 32.289 31.700 0.043 0.000 0.901 410 K N 2.261 122.801 120.400 0.234 0.000 2.323 410 K HA 0.380 4.704 4.320 0.006 0.000 0.259 410 K C -0.648 176.067 176.600 0.191 0.000 0.947 410 K CA -1.036 55.366 56.287 0.192 0.000 0.819 410 K CB 1.497 34.058 32.500 0.101 0.000 1.109 410 K HN 0.338 nan 8.250 nan 0.000 0.429 411 L N 4.489 125.762 121.223 0.083 0.000 2.361 411 L HA 0.142 4.486 4.340 0.006 0.000 0.278 411 L C 0.652 177.436 176.870 -0.144 0.000 1.113 411 L CA 0.402 55.089 54.840 -0.255 0.000 0.849 411 L CB 0.116 42.029 42.059 -0.243 0.000 1.155 411 L HN 0.689 nan 8.230 nan 0.000 0.452 412 L N 4.864 125.990 121.223 -0.161 0.000 2.221 412 L HA 0.277 4.620 4.340 0.006 0.000 0.202 412 L C 0.796 177.626 176.870 -0.067 0.000 1.074 412 L CA 0.223 55.026 54.840 -0.062 0.000 0.795 412 L CB -0.260 41.798 42.059 -0.001 0.000 0.960 412 L HN 0.787 nan 8.230 nan 0.000 0.458 413 R N -1.651 118.784 120.500 -0.108 0.000 2.774 413 R HA 0.408 4.752 4.340 0.006 0.000 0.279 413 R C -1.542 174.691 176.300 -0.112 0.000 1.022 413 R CA -0.731 55.319 56.100 -0.083 0.000 0.855 413 R CB 1.108 31.385 30.300 -0.038 0.000 1.279 413 R HN -0.316 nan 8.270 nan 0.000 0.485 414 T N 1.682 116.184 114.554 -0.086 0.000 2.824 414 T HA 0.495 4.849 4.350 0.006 0.000 0.282 414 T C -0.225 174.427 174.700 -0.081 0.000 0.993 414 T CA -0.640 61.407 62.100 -0.088 0.000 0.967 414 T CB 1.021 69.844 68.868 -0.075 0.000 0.960 414 T HN 0.373 nan 8.240 nan 0.000 0.441 415 I N 3.584 124.089 120.570 -0.109 0.000 2.291 415 I HA 0.235 4.409 4.170 0.006 0.000 0.290 415 I C 0.366 176.389 176.117 -0.156 0.000 1.050 415 I CA -0.730 60.479 61.300 -0.152 0.000 1.245 415 I CB 0.692 38.531 38.000 -0.269 0.000 1.405 415 I HN 0.415 nan 8.210 nan 0.000 0.478 416 E N 4.978 125.116 120.200 -0.103 0.000 2.283 416 E HA 0.273 4.627 4.350 0.006 0.000 0.278 416 E C 0.907 177.464 176.600 -0.072 0.000 1.027 416 E CA -0.102 56.252 56.400 -0.078 0.000 0.843 416 E CB 1.452 31.123 29.700 -0.048 0.000 1.062 416 E HN 0.873 nan 8.360 nan 0.000 0.401 417 G N 2.364 111.128 108.800 -0.059 0.000 2.198 417 G HA2 -0.323 3.641 3.960 0.006 0.000 0.257 417 G HA3 -0.323 3.641 3.960 0.006 0.000 0.257 417 G C 0.909 175.813 174.900 0.006 0.000 1.042 417 G CA 0.416 45.502 45.100 -0.024 0.000 0.791 417 G HN 0.610 nan 8.290 nan 0.000 0.502 418 A N -1.338 121.442 122.820 -0.066 0.000 2.066 418 A HA 0.674 4.998 4.320 0.006 0.000 0.218 418 A C 1.514 179.269 177.584 0.286 0.000 1.157 418 A CA 2.114 54.118 52.037 -0.055 0.000 0.670 418 A CB 0.032 18.806 19.000 -0.376 0.000 0.804 418 A HN 2.387 nan 8.150 nan 0.000 0.453 419 A N -1.779 121.142 122.820 0.168 0.000 2.610 419 A HA 0.603 4.926 4.320 0.006 0.000 0.291 419 A C 0.103 177.740 177.584 0.089 0.000 1.086 419 A CA -0.129 52.023 52.037 0.191 0.000 0.677 419 A CB 0.287 19.334 19.000 0.079 0.000 1.278 419 A HN 0.095 nan 8.150 nan 0.000 0.414 420 E N -0.094 120.153 120.200 0.079 0.000 2.140 420 E HA 0.300 4.653 4.350 0.006 0.000 0.191 420 E C 0.537 177.137 176.600 -0.000 0.000 0.973 420 E CA 1.047 57.471 56.400 0.039 0.000 0.829 420 E CB 0.321 30.057 29.700 0.059 0.000 0.781 420 E HN 0.862 nan 8.360 nan 0.000 0.466 421 A N 1.237 124.045 122.820 -0.021 0.000 3.158 421 A HA 0.304 4.628 4.320 0.006 0.000 0.302 421 A C -0.819 176.702 177.584 -0.104 0.000 1.162 421 A CA -0.435 51.565 52.037 -0.062 0.000 0.824 421 A CB 1.072 20.056 19.000 -0.026 0.000 1.322 421 A HN -0.004 nan 8.150 nan 0.000 0.510 422 S N 1.110 116.742 115.700 -0.113 0.000 2.482 422 S HA 0.715 5.189 4.470 0.006 0.000 0.303 422 S C 0.159 174.656 174.600 -0.172 0.000 1.091 422 S CA -0.488 57.632 58.200 -0.133 0.000 1.057 422 S CB 0.763 63.912 63.200 -0.085 0.000 1.031 422 S HN 0.583 nan 8.310 nan 0.000 0.485 423 L N 3.732 124.824 121.223 -0.219 0.000 3.014 423 L HA 0.467 4.811 4.340 0.006 0.000 0.263 423 L C 0.281 177.061 176.870 -0.150 0.000 1.207 423 L CA 0.000 54.692 54.840 -0.247 0.000 1.017 423 L CB 0.348 42.120 42.059 -0.477 0.000 1.360 423 L HN 0.617 nan 8.230 nan 0.000 0.560 424 Q N 0.942 120.679 119.800 -0.105 0.000 2.281 424 Q HA 0.458 4.802 4.340 0.006 0.000 0.263 424 Q C -2.051 173.936 176.000 -0.021 0.000 0.989 424 Q CA -0.168 55.607 55.803 -0.047 0.000 0.852 424 Q CB 3.571 32.276 28.738 -0.056 0.000 1.337 424 Q HN -0.063 nan 8.270 nan 0.000 0.418 425 V N 3.599 123.512 119.914 -0.002 0.000 2.823 425 V HA 0.648 4.772 4.120 0.006 0.000 0.312 425 V C -1.628 174.464 176.094 -0.003 0.000 1.072 425 V CA -0.128 62.164 62.300 -0.014 0.000 0.937 425 V CB 2.368 34.153 31.823 -0.064 0.000 1.013 425 V HN 0.927 nan 8.190 nan 0.000 0.430 426 Q N 3.936 123.743 119.800 0.012 0.000 2.345 426 Q HA 0.494 4.838 4.340 0.006 0.000 0.275 426 Q C -1.716 174.328 176.000 0.073 0.000 1.063 426 Q CA -0.482 55.365 55.803 0.073 0.000 0.819 426 Q CB 2.969 31.782 28.738 0.125 0.000 1.356 426 Q HN 0.695 nan 8.270 nan 0.000 0.418 427 F N 0.827 120.850 119.950 0.123 0.000 2.410 427 F HA 0.117 4.648 4.527 0.006 0.000 0.334 427 F C 0.985 176.939 175.800 0.255 0.000 1.134 427 F CA -0.176 57.913 58.000 0.149 0.000 1.227 427 F CB 0.591 39.624 39.000 0.055 0.000 1.194 427 F HN 0.444 nan 8.300 nan 0.000 0.571 428 H N 4.552 123.909 119.070 0.478 0.000 2.929 428 H HA 0.101 4.661 4.556 0.007 0.000 0.317 428 H C -2.206 173.277 175.328 0.259 0.000 1.031 428 H CA -1.520 54.776 56.048 0.413 0.000 1.466 428 H CB 0.861 30.849 29.762 0.378 0.000 1.482 428 H HN 0.219 nan 8.280 nan 0.000 0.561 429 P HA 0.008 nan 4.420 nan 0.000 0.271 429 P C -0.742 176.685 177.300 0.210 0.000 1.216 429 P CA -0.161 63.017 63.100 0.130 0.000 0.771 429 P CB 1.061 32.769 31.700 0.012 0.000 0.864 430 V N 3.062 123.050 119.914 0.124 0.000 2.448 430 V HA 0.575 4.698 4.120 0.006 0.000 0.295 430 V C 1.101 177.222 176.094 0.046 0.000 1.025 430 V CA 0.598 62.954 62.300 0.092 0.000 0.859 430 V CB 0.672 32.537 31.823 0.071 0.000 0.988 430 V HN 1.056 nan 8.190 nan 0.000 0.431 431 G N 4.054 112.880 108.800 0.044 0.000 2.611 431 G HA2 0.132 4.095 3.960 0.006 0.000 0.301 431 G HA3 0.132 4.095 3.960 0.006 0.000 0.301 431 G C 1.057 175.968 174.900 0.018 0.000 1.233 431 G CA 0.559 45.674 45.100 0.025 0.000 0.993 431 G HN 2.388 nan 8.290 nan 0.000 0.553 432 G N -2.853 105.951 108.800 0.008 0.000 2.175 432 G HA2 -0.005 3.959 3.960 0.006 0.000 0.244 432 G HA3 -0.005 3.959 3.960 0.006 0.000 0.244 432 G C 0.836 175.742 174.900 0.011 0.000 0.982 432 G CA 1.511 46.614 45.100 0.005 0.000 0.641 432 G HN 1.906 nan 8.290 nan 0.000 0.527 433 T N 0.000 114.561 114.554 0.012 0.000 3.816 433 T HA 0.000 4.354 4.350 0.006 0.000 0.228 433 T CA 0.000 62.109 62.100 0.015 0.000 1.349 433 T CB 0.000 68.876 68.868 0.014 0.000 0.612 433 T HN 0.000 nan 8.240 nan 0.000 0.658