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 3e2s_1_A DATA FIRST_RESID 88 DATA SEQUENCE QSVSRAAITA AYRRPETEAV SMLLEQARLP QPVAEQAHKL AYQLADKLRN DATA SEQUENCE QKNASGRAGM VQGLLQEFSL SSQEGVALMC LAEALLRIPD KATRDALXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXGEPLIRKG VDMAMRLMGE QFVTGETIAE ALANARKLEE KGFRYSYDML DATA SEQUENCE GEAALTAADA QAYMVSYQQA IHAIGKASNG RGIYEGPGIS IKLSALHPRY DATA SEQUENCE SRAQYDRVME ELYPRLKSLT LLARQYDIGI NIDAEESDRL EISLDLLEKL DATA SEQUENCE CFEPELAGWN GIGFVIQAYQ KRCPLVIDYL IDLATRSRRR LMIRLVKGAY DATA SEQUENCE WDSEIKRAQM DGLEGYPVYT RKVYTDVSYL ACAKKLLAVP NLIYPQFATH DATA SEQUENCE NAHTLAAIYQ LAGQNYYPGQ YEFQCLHGMG EPLYEQVTGK VADGKLNRPC DATA SEQUENCE RISAPVGTHE TLLAYLVRRL LENGANTSFV NRIADTSLPL DELVADPVTA DATA SEQUENCE VEKLAQQEGQ TGLPHPKIPL PRD 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 88 Q HA 0.000 nan 4.340 nan 0.000 0.214 88 Q C 0.000 175.993 176.000 -0.011 0.000 1.003 88 Q CA 0.000 55.785 55.803 -0.030 0.000 1.022 88 Q CB 0.000 28.717 28.738 -0.035 0.000 1.108 89 S N -0.379 115.323 115.700 0.003 0.000 2.580 89 S HA 0.169 4.639 4.470 0.000 0.000 0.266 89 S C 1.300 175.919 174.600 0.030 0.000 1.354 89 S CA -0.289 57.928 58.200 0.028 0.000 1.008 89 S CB 0.705 63.946 63.200 0.069 0.000 0.898 89 S HN 0.459 nan 8.310 nan 0.000 0.555 90 V N 2.165 122.101 119.914 0.037 0.000 2.282 90 V HA -0.233 3.888 4.120 0.000 0.000 0.249 90 V C 3.020 179.142 176.094 0.046 0.000 1.057 90 V CA 2.587 64.908 62.300 0.035 0.000 1.032 90 V CB -1.746 30.098 31.823 0.034 0.000 0.645 90 V HN 1.090 nan 8.190 nan 0.000 0.447 91 S N -0.135 115.612 115.700 0.079 0.000 2.402 91 S HA -0.155 4.315 4.470 0.000 0.000 0.229 91 S C 2.050 176.693 174.600 0.072 0.000 1.021 91 S CA 0.717 58.983 58.200 0.109 0.000 0.974 91 S CB -0.353 62.961 63.200 0.189 0.000 0.800 91 S HN 0.447 nan 8.310 nan 0.000 0.484 92 R N 1.902 122.418 120.500 0.028 0.000 2.075 92 R HA 0.232 4.573 4.340 0.000 0.000 0.232 92 R C 2.731 179.003 176.300 -0.047 0.000 1.126 92 R CA 1.353 57.406 56.100 -0.079 0.000 0.963 92 R CB -1.624 28.605 30.300 -0.118 0.000 0.858 92 R HN 0.581 nan 8.270 nan 0.000 0.435 93 A N 1.270 124.080 122.820 -0.015 0.000 1.940 93 A HA -0.102 4.218 4.320 0.000 0.000 0.219 93 A C 2.353 179.939 177.584 0.003 0.000 1.176 93 A CA 1.936 53.969 52.037 -0.007 0.000 0.631 93 A CB -0.544 18.457 19.000 0.001 0.000 0.814 93 A HN 0.344 nan 8.150 nan 0.000 0.446 94 A N -0.333 122.495 122.820 0.013 0.000 1.969 94 A HA 0.010 4.330 4.320 0.000 0.000 0.218 94 A C 2.079 179.674 177.584 0.017 0.000 1.169 94 A CA 1.305 53.355 52.037 0.022 0.000 0.635 94 A CB -0.525 18.496 19.000 0.034 0.000 0.810 94 A HN 0.505 nan 8.150 nan 0.000 0.445 95 I N -0.506 120.063 120.570 -0.001 0.000 2.113 95 I HA -0.238 3.932 4.170 0.000 0.000 0.238 95 I C 2.649 178.746 176.117 -0.034 0.000 1.070 95 I CA 1.842 63.126 61.300 -0.027 0.000 1.332 95 I CB -0.868 37.088 38.000 -0.073 0.000 1.044 95 I HN 0.238 nan 8.210 nan 0.000 0.402 96 T N 0.991 115.528 114.554 -0.030 0.000 2.653 96 T HA -0.270 4.080 4.350 0.000 0.000 0.268 96 T C 1.943 176.688 174.700 0.075 0.000 1.035 96 T CA 1.733 63.844 62.100 0.019 0.000 1.154 96 T CB -0.482 68.398 68.868 0.020 0.000 0.862 96 T HN 0.514 nan 8.240 nan 0.000 0.441 97 A N 0.862 123.710 122.820 0.047 0.000 2.070 97 A HA 0.299 4.619 4.320 0.000 0.000 0.220 97 A C 2.335 179.958 177.584 0.065 0.000 1.159 97 A CA 1.491 53.559 52.037 0.052 0.000 0.656 97 A CB -0.599 18.420 19.000 0.032 0.000 0.800 97 A HN 0.531 nan 8.150 nan 0.000 0.453 98 A N -2.506 120.353 122.820 0.065 0.000 2.308 98 A HA 0.255 4.576 4.320 0.000 0.000 0.217 98 A C 1.534 179.183 177.584 0.108 0.000 1.216 98 A CA 0.240 52.317 52.037 0.068 0.000 0.864 98 A CB -0.657 18.372 19.000 0.050 0.000 0.902 98 A HN 0.602 nan 8.150 nan 0.000 0.499 99 Y N 0.681 120.973 120.300 -0.013 0.000 2.029 99 Y HA -0.324 4.226 4.550 0.001 0.000 0.269 99 Y C 1.652 177.528 175.900 -0.039 0.000 1.201 99 Y CA 1.936 60.022 58.100 -0.024 0.000 1.115 99 Y CB 0.105 38.548 38.460 -0.028 0.000 0.945 99 Y HN 0.276 nan 8.280 nan 0.000 0.497 100 R N 0.054 120.661 120.500 0.178 0.000 2.668 100 R HA 0.156 4.496 4.340 0.000 0.000 0.435 100 R C -0.589 175.723 176.300 0.020 0.000 1.059 100 R CA -0.373 55.757 56.100 0.049 0.000 1.073 100 R CB 0.498 30.751 30.300 -0.078 0.000 1.401 100 R HN 0.253 nan 8.270 nan 0.000 0.590 101 R N 0.550 121.072 120.500 0.037 0.000 2.734 101 R HA 0.195 4.535 4.340 0.000 0.000 0.266 101 R C -2.384 173.936 176.300 0.033 0.000 1.044 101 R CA -1.327 54.791 56.100 0.031 0.000 1.128 101 R CB -0.424 29.900 30.300 0.040 0.000 1.010 101 R HN -0.236 nan 8.270 nan 0.000 0.461 102 P HA -0.071 nan 4.420 nan 0.000 0.264 102 P C -0.151 177.192 177.300 0.072 0.000 1.183 102 P CA 0.174 63.305 63.100 0.052 0.000 0.763 102 P CB 0.621 32.345 31.700 0.041 0.000 0.807 103 E N 1.138 121.401 120.200 0.105 0.000 2.085 103 E HA -0.201 4.149 4.350 0.000 0.000 0.194 103 E C 1.689 178.311 176.600 0.037 0.000 0.994 103 E CA 2.041 58.518 56.400 0.129 0.000 0.801 103 E CB -0.276 29.553 29.700 0.216 0.000 0.743 103 E HN 0.646 nan 8.360 nan 0.000 0.453 104 T N -0.894 113.677 114.554 0.029 0.000 2.720 104 T HA -0.245 4.105 4.350 0.000 0.000 0.268 104 T C 1.859 176.555 174.700 -0.007 0.000 1.037 104 T CA 1.607 63.703 62.100 -0.007 0.000 1.144 104 T CB -0.258 68.621 68.868 0.018 0.000 0.864 104 T HN 0.201 nan 8.240 nan 0.000 0.444 105 E N 1.466 121.678 120.200 0.021 0.000 2.028 105 E HA -0.018 4.333 4.350 0.000 0.000 0.191 105 E C 2.537 179.160 176.600 0.039 0.000 0.988 105 E CA 0.901 57.316 56.400 0.026 0.000 0.799 105 E CB -0.484 29.235 29.700 0.032 0.000 0.755 105 E HN 0.604 nan 8.360 nan 0.000 0.447 106 A N 0.571 123.435 122.820 0.074 0.000 1.877 106 A HA -0.151 4.170 4.320 0.000 0.000 0.216 106 A C 2.418 180.066 177.584 0.108 0.000 1.186 106 A CA 1.629 53.747 52.037 0.134 0.000 0.620 106 A CB -0.791 18.345 19.000 0.228 0.000 0.822 106 A HN 0.240 nan 8.150 nan 0.000 0.443 107 V N -0.221 119.707 119.914 0.023 0.000 2.490 107 V HA -0.196 3.924 4.120 0.000 0.000 0.250 107 V C 2.735 178.771 176.094 -0.096 0.000 1.061 107 V CA 2.203 64.413 62.300 -0.151 0.000 1.064 107 V CB -0.722 30.805 31.823 -0.492 0.000 0.670 107 V HN 0.544 nan 8.190 nan 0.000 0.461 108 S N -0.360 115.307 115.700 -0.056 0.000 2.383 108 S HA -0.140 4.331 4.470 0.000 0.000 0.227 108 S C 1.938 176.534 174.600 -0.007 0.000 1.026 108 S CA 1.682 59.864 58.200 -0.029 0.000 0.981 108 S CB -0.286 62.905 63.200 -0.015 0.000 0.818 108 S HN 0.514 nan 8.310 nan 0.000 0.472 109 M N 0.708 120.315 119.600 0.011 0.000 2.175 109 M HA -0.013 4.467 4.480 0.000 0.000 0.264 109 M C 1.821 178.135 176.300 0.024 0.000 1.063 109 M CA 1.267 56.581 55.300 0.024 0.000 1.119 109 M CB -0.548 32.076 32.600 0.041 0.000 1.377 109 M HN 0.233 nan 8.290 nan 0.000 0.415 110 L N -0.328 120.909 121.223 0.022 0.000 2.201 110 L HA -0.170 4.170 4.340 0.000 0.000 0.212 110 L C 2.423 179.298 176.870 0.008 0.000 1.105 110 L CA 0.284 55.136 54.840 0.020 0.000 0.775 110 L CB -0.579 41.484 42.059 0.007 0.000 0.913 110 L HN 0.261 nan 8.230 nan 0.000 0.440 111 L N 0.009 121.229 121.223 -0.004 0.000 2.012 111 L HA -0.218 4.122 4.340 0.000 0.000 0.210 111 L C 2.599 179.474 176.870 0.008 0.000 1.073 111 L CA 1.871 56.709 54.840 -0.003 0.000 0.748 111 L CB -0.527 41.526 42.059 -0.009 0.000 0.891 111 L HN 0.200 nan 8.230 nan 0.000 0.431 112 E N -0.777 119.428 120.200 0.009 0.000 2.216 112 E HA -0.147 4.203 4.350 0.000 0.000 0.192 112 E C 2.112 178.720 176.600 0.013 0.000 0.988 112 E CA 0.641 57.047 56.400 0.010 0.000 0.834 112 E CB -0.108 29.598 29.700 0.009 0.000 0.772 112 E HN 0.675 nan 8.360 nan 0.000 0.479 113 Q N 0.066 119.875 119.800 0.016 0.000 2.224 113 Q HA 0.007 4.347 4.340 0.000 0.000 0.203 113 Q C 1.878 177.889 176.000 0.018 0.000 0.970 113 Q CA 1.281 57.094 55.803 0.017 0.000 0.865 113 Q CB -0.001 28.751 28.738 0.023 0.000 0.922 113 Q HN 0.156 nan 8.270 nan 0.000 0.445 114 A N 1.095 123.928 122.820 0.022 0.000 2.095 114 A HA 0.004 4.325 4.320 0.000 0.000 0.212 114 A C 1.104 178.706 177.584 0.029 0.000 1.162 114 A CA -0.294 51.761 52.037 0.029 0.000 0.753 114 A CB -0.055 18.967 19.000 0.037 0.000 0.840 114 A HN 0.114 nan 8.150 nan 0.000 0.468 115 R N 0.638 121.152 120.500 0.023 0.000 2.480 115 R HA 0.167 4.508 4.340 0.000 0.000 0.303 115 R C -1.147 175.166 176.300 0.022 0.000 0.985 115 R CA -0.246 55.868 56.100 0.024 0.000 1.051 115 R CB -0.047 30.263 30.300 0.017 0.000 0.935 115 R HN 0.172 nan 8.270 nan 0.000 0.410 116 L N 8.284 129.526 121.223 0.032 0.000 2.360 116 L HA 0.250 4.590 4.340 0.000 0.000 0.276 116 L C -1.855 175.027 176.870 0.020 0.000 1.121 116 L CA -1.663 53.193 54.840 0.026 0.000 0.845 116 L CB 0.801 42.886 42.059 0.043 0.000 1.143 116 L HN 0.615 nan 8.230 nan 0.000 0.452 117 P HA 0.052 nan 4.420 nan 0.000 0.262 117 P C 0.753 178.061 177.300 0.014 0.000 1.182 117 P CA 0.402 63.508 63.100 0.010 0.000 0.761 117 P CB 0.487 32.190 31.700 0.005 0.000 0.795 118 Q N 5.390 125.197 119.800 0.012 0.000 2.165 118 Q HA -0.247 4.094 4.340 0.000 0.000 0.215 118 Q C -0.622 175.387 176.000 0.016 0.000 1.010 118 Q CA 2.910 58.719 55.803 0.011 0.000 0.896 118 Q CB -3.225 25.516 28.738 0.005 0.000 0.956 118 Q HN 0.539 nan 8.270 nan 0.000 0.413 119 P HA -0.079 nan 4.420 nan 0.000 0.215 119 P C 1.594 178.909 177.300 0.026 0.000 1.157 119 P CA 1.391 64.501 63.100 0.018 0.000 0.863 119 P CB -0.230 31.478 31.700 0.014 0.000 0.787 120 V N 0.433 120.360 119.914 0.022 0.000 2.343 120 V HA -0.274 3.846 4.120 0.000 0.000 0.247 120 V C 2.548 178.666 176.094 0.041 0.000 1.051 120 V CA 2.185 64.500 62.300 0.025 0.000 1.036 120 V CB -1.801 30.027 31.823 0.008 0.000 0.654 120 V HN 0.100 nan 8.190 nan 0.000 0.451 121 A N 0.124 122.971 122.820 0.046 0.000 1.903 121 A HA -0.316 4.005 4.320 0.000 0.000 0.219 121 A C 2.349 179.993 177.584 0.100 0.000 1.191 121 A CA 2.905 54.987 52.037 0.075 0.000 0.638 121 A CB -0.944 18.090 19.000 0.057 0.000 0.823 121 A HN 0.644 nan 8.150 nan 0.000 0.451 122 E N -1.193 119.051 120.200 0.073 0.000 2.072 122 E HA -0.219 4.131 4.350 0.000 0.000 0.191 122 E C 2.005 178.672 176.600 0.112 0.000 0.985 122 E CA 1.525 57.977 56.400 0.088 0.000 0.801 122 E CB -0.636 29.091 29.700 0.044 0.000 0.750 122 E HN 0.643 nan 8.360 nan 0.000 0.452 123 Q N -0.532 119.316 119.800 0.079 0.000 2.119 123 Q HA 0.060 4.400 4.340 0.000 0.000 0.201 123 Q C 2.532 178.575 176.000 0.072 0.000 0.972 123 Q CA 1.567 57.414 55.803 0.073 0.000 0.847 123 Q CB -0.565 28.215 28.738 0.071 0.000 0.903 123 Q HN 0.611 nan 8.270 nan 0.000 0.433 124 A N 0.131 122.993 122.820 0.071 0.000 1.902 124 A HA -0.247 4.073 4.320 0.000 0.000 0.217 124 A C 1.982 179.608 177.584 0.070 0.000 1.181 124 A CA 1.978 54.030 52.037 0.025 0.000 0.623 124 A CB -0.868 18.122 19.000 -0.016 0.000 0.818 124 A HN 0.506 nan 8.150 nan 0.000 0.443 125 H N 0.077 119.193 119.070 0.075 0.000 2.319 125 H HA -0.093 4.463 4.556 0.000 0.000 0.299 125 H C 1.968 177.354 175.328 0.097 0.000 1.092 125 H CA 2.324 58.440 56.048 0.114 0.000 1.302 125 H CB -0.098 29.715 29.762 0.085 0.000 1.373 125 H HN 0.456 nan 8.280 nan 0.000 0.497 126 K N -0.419 119.993 120.400 0.021 0.000 2.057 126 K HA -0.118 4.202 4.320 0.000 0.000 0.207 126 K C 2.167 178.742 176.600 -0.041 0.000 1.049 126 K CA 1.277 57.541 56.287 -0.038 0.000 0.931 126 K CB -0.203 32.308 32.500 0.018 0.000 0.714 126 K HN 0.218 nan 8.250 nan 0.000 0.440 127 L N 1.187 122.381 121.223 -0.048 0.000 2.027 127 L HA -0.061 4.279 4.340 0.000 0.000 0.206 127 L C 2.233 179.032 176.870 -0.120 0.000 1.074 127 L CA 1.771 56.552 54.840 -0.099 0.000 0.745 127 L CB -0.813 41.163 42.059 -0.138 0.000 0.898 127 L HN 0.112 nan 8.230 nan 0.000 0.433 128 A N -1.060 121.694 122.820 -0.109 0.000 1.865 128 A HA -0.328 3.992 4.320 0.000 0.000 0.217 128 A C 2.355 179.896 177.584 -0.072 0.000 1.191 128 A CA 2.079 54.058 52.037 -0.097 0.000 0.623 128 A CB -1.448 17.548 19.000 -0.007 0.000 0.826 128 A HN 0.650 nan 8.150 nan 0.000 0.444 129 Y N 0.327 120.490 120.300 -0.229 0.000 2.081 129 Y HA -0.286 4.265 4.550 0.000 0.000 0.280 129 Y C 3.141 178.964 175.900 -0.128 0.000 1.163 129 Y CA 3.672 61.647 58.100 -0.210 0.000 1.135 129 Y CB -0.766 37.495 38.460 -0.331 0.000 0.970 129 Y HN 0.464 nan 8.280 nan 0.000 0.498 130 Q N 0.531 120.377 119.800 0.077 0.000 2.050 130 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 130 Q C 2.294 178.239 176.000 -0.091 0.000 0.980 130 Q CA 2.120 57.931 55.803 0.013 0.000 0.840 130 Q CB -1.291 27.450 28.738 0.006 0.000 0.898 130 Q HN 0.729 nan 8.270 nan 0.000 0.424 131 L N 0.050 121.199 121.223 -0.124 0.000 2.012 131 L HA -0.168 4.172 4.340 0.000 0.000 0.210 131 L C 3.043 179.841 176.870 -0.120 0.000 1.073 131 L CA 1.295 56.044 54.840 -0.151 0.000 0.748 131 L CB -0.531 41.400 42.059 -0.212 0.000 0.891 131 L HN 0.539 nan 8.230 nan 0.000 0.431 132 A N -0.533 122.219 122.820 -0.112 0.000 1.898 132 A HA -0.254 4.067 4.320 0.000 0.000 0.216 132 A C 1.974 179.449 177.584 -0.180 0.000 1.181 132 A CA 1.903 53.891 52.037 -0.081 0.000 0.620 132 A CB -0.571 18.395 19.000 -0.056 0.000 0.819 132 A HN 0.409 nan 8.150 nan 0.000 0.442 133 D N -0.165 120.069 120.400 -0.277 0.000 2.092 133 D HA -0.149 4.491 4.640 0.000 0.000 0.193 133 D C 1.909 178.128 176.300 -0.136 0.000 0.994 133 D CA 1.596 55.445 54.000 -0.252 0.000 0.828 133 D CB -0.162 40.481 40.800 -0.260 0.000 0.963 133 D HN 0.447 nan 8.370 nan 0.000 0.450 134 K N -0.583 119.754 120.400 -0.105 0.000 2.147 134 K HA -0.122 4.198 4.320 0.000 0.000 0.205 134 K C 1.947 178.505 176.600 -0.070 0.000 1.049 134 K CA 0.442 56.685 56.287 -0.074 0.000 0.936 134 K CB -0.058 32.402 32.500 -0.067 0.000 0.722 134 K HN 0.153 nan 8.250 nan 0.000 0.446 135 L N 1.256 122.433 121.223 -0.077 0.000 2.068 135 L HA -0.059 4.281 4.340 0.000 0.000 0.204 135 L C 2.350 179.181 176.870 -0.066 0.000 1.076 135 L CA 1.532 56.336 54.840 -0.059 0.000 0.753 135 L CB -0.356 41.681 42.059 -0.037 0.000 0.910 135 L HN -0.005 nan 8.230 nan 0.000 0.439 136 R N -0.415 120.032 120.500 -0.089 0.000 2.115 136 R HA -0.068 4.272 4.340 0.000 0.000 0.226 136 R C 0.592 176.843 176.300 -0.081 0.000 1.100 136 R CA 1.710 57.750 56.100 -0.100 0.000 0.980 136 R CB -0.152 30.068 30.300 -0.134 0.000 0.875 136 R HN 0.505 nan 8.270 nan 0.000 0.445 137 N N -0.076 118.578 118.700 -0.077 0.000 2.389 137 N HA 0.050 4.791 4.740 0.000 0.000 0.260 137 N C 1.132 176.614 175.510 -0.047 0.000 1.191 137 N CA 0.249 53.263 53.050 -0.060 0.000 0.885 137 N CB 1.285 39.735 38.487 -0.060 0.000 1.162 137 N HN 0.266 nan 8.380 nan 0.000 0.512 138 Q N 1.559 121.332 119.800 -0.046 0.000 2.061 138 Q HA -0.105 4.236 4.340 0.000 0.000 0.204 138 Q C 1.420 177.403 176.000 -0.029 0.000 0.984 138 Q CA 1.426 57.208 55.803 -0.036 0.000 0.846 138 Q CB -0.622 28.095 28.738 -0.034 0.000 0.902 138 Q HN 0.368 nan 8.270 nan 0.000 0.421 139 K N 0.223 120.605 120.400 -0.031 0.000 2.814 139 K HA 0.211 4.531 4.320 0.000 0.000 0.213 139 K C -0.114 176.470 176.600 -0.026 0.000 1.113 139 K CA 0.013 56.284 56.287 -0.026 0.000 1.145 139 K CB 0.223 32.708 32.500 -0.025 0.000 0.948 139 K HN 0.500 nan 8.250 nan 0.000 0.464 140 N N 0.922 119.606 118.700 -0.028 0.000 2.740 140 N HA -0.247 4.494 4.740 0.000 0.000 0.248 140 N C 0.380 175.873 175.510 -0.029 0.000 1.062 140 N CA 0.674 53.709 53.050 -0.026 0.000 0.704 140 N CB -1.031 37.444 38.487 -0.020 0.000 0.968 140 N HN 0.449 nan 8.380 nan 0.000 0.547 141 A N -1.244 121.555 122.820 -0.036 0.000 2.121 141 A HA -0.003 4.317 4.320 0.000 0.000 0.218 141 A C 2.247 179.809 177.584 -0.037 0.000 1.154 141 A CA 1.771 53.785 52.037 -0.038 0.000 0.679 141 A CB -0.283 18.690 19.000 -0.045 0.000 0.795 141 A HN 0.506 nan 8.150 nan 0.000 0.458 142 S N -1.004 114.673 115.700 -0.038 0.000 2.427 142 S HA 0.131 4.601 4.470 0.000 0.000 0.224 142 S C 2.028 176.614 174.600 -0.024 0.000 1.047 142 S CA 1.095 59.274 58.200 -0.035 0.000 0.953 142 S CB -0.500 62.676 63.200 -0.041 0.000 0.824 142 S HN 0.600 nan 8.310 nan 0.000 0.502 143 G N 1.164 109.952 108.800 -0.021 0.000 2.448 143 G HA2 -0.159 3.801 3.960 0.000 0.000 0.219 143 G HA3 -0.159 3.801 3.960 0.000 0.000 0.219 143 G C 1.592 176.483 174.900 -0.015 0.000 1.127 143 G CA 0.360 45.451 45.100 -0.015 0.000 0.766 143 G HN 0.478 nan 8.290 nan 0.000 0.552 144 R N 0.072 120.561 120.500 -0.018 0.000 2.119 144 R HA 0.221 4.561 4.340 0.000 0.000 0.222 144 R C 2.946 179.236 176.300 -0.017 0.000 1.088 144 R CA 0.825 56.915 56.100 -0.017 0.000 0.984 144 R CB -0.149 30.140 30.300 -0.019 0.000 0.884 144 R HN 0.317 nan 8.270 nan 0.000 0.447 145 A N 0.525 123.333 122.820 -0.020 0.000 1.930 145 A HA -0.028 4.292 4.320 0.000 0.000 0.217 145 A C 2.281 179.855 177.584 -0.015 0.000 1.175 145 A CA 1.558 53.583 52.037 -0.019 0.000 0.627 145 A CB -0.896 18.090 19.000 -0.023 0.000 0.815 145 A HN 0.436 nan 8.150 nan 0.000 0.443 146 G N -0.882 107.910 108.800 -0.014 0.000 2.422 146 G HA2 -0.031 3.929 3.960 0.000 0.000 0.218 146 G HA3 -0.031 3.929 3.960 0.000 0.000 0.218 146 G C 1.714 176.609 174.900 -0.009 0.000 1.146 146 G CA 2.394 47.488 45.100 -0.010 0.000 0.769 146 G HN 0.757 nan 8.290 nan 0.000 0.547 147 M N 0.304 119.898 119.600 -0.010 0.000 2.229 147 M HA 0.230 4.710 4.480 0.000 0.000 0.264 147 M C 2.717 179.012 176.300 -0.009 0.000 1.063 147 M CA 1.700 56.995 55.300 -0.008 0.000 1.114 147 M CB -1.187 31.407 32.600 -0.009 0.000 1.387 147 M HN 0.125 nan 8.290 nan 0.000 0.420 148 V N 0.961 120.869 119.914 -0.010 0.000 2.229 148 V HA -0.269 3.851 4.120 0.000 0.000 0.243 148 V C 3.172 179.261 176.094 -0.009 0.000 1.042 148 V CA 2.627 64.921 62.300 -0.010 0.000 1.000 148 V CB -1.424 30.392 31.823 -0.012 0.000 0.637 148 V HN 0.805 nan 8.190 nan 0.000 0.446 149 Q N 0.166 119.960 119.800 -0.010 0.000 2.234 149 Q HA -0.185 4.155 4.340 0.000 0.000 0.206 149 Q C 2.211 178.207 176.000 -0.007 0.000 0.980 149 Q CA 2.126 57.924 55.803 -0.009 0.000 0.869 149 Q CB -1.643 27.089 28.738 -0.009 0.000 0.912 149 Q HN 0.748 nan 8.270 nan 0.000 0.436 150 G N -0.385 108.411 108.800 -0.007 0.000 2.470 150 G HA2 0.130 4.091 3.960 0.000 0.000 0.220 150 G HA3 0.130 4.091 3.960 0.000 0.000 0.220 150 G C 1.567 176.464 174.900 -0.006 0.000 1.121 150 G CA 1.885 46.982 45.100 -0.006 0.000 0.766 150 G HN 1.211 nan 8.290 nan 0.000 0.553 151 L N -0.554 120.665 121.223 -0.006 0.000 2.470 151 L HA 0.699 5.039 4.340 0.000 0.000 0.219 151 L C 3.090 179.956 176.870 -0.006 0.000 1.071 151 L CA 1.304 56.140 54.840 -0.006 0.000 0.850 151 L CB -1.271 40.785 42.059 -0.006 0.000 1.040 151 L HN 0.434 nan 8.230 nan 0.000 0.475 152 L N -1.121 120.098 121.223 -0.007 0.000 2.353 152 L HA 0.181 4.522 4.340 0.000 0.000 0.220 152 L C 2.472 179.338 176.870 -0.006 0.000 1.133 152 L CA 2.950 57.786 54.840 -0.007 0.000 0.798 152 L CB -1.961 40.093 42.059 -0.008 0.000 0.922 152 L HN 0.853 nan 8.230 nan 0.000 0.445 153 Q N -0.966 118.831 119.800 -0.006 0.000 2.387 153 Q HA 0.185 4.525 4.340 0.000 0.000 0.212 153 Q C 2.144 178.141 176.000 -0.005 0.000 0.925 153 Q CA 1.636 57.436 55.803 -0.005 0.000 0.901 153 Q CB -0.827 27.908 28.738 -0.005 0.000 1.020 153 Q HN 1.021 nan 8.270 nan 0.000 0.545 154 E N -0.963 119.235 120.200 -0.004 0.000 2.463 154 E HA 0.193 4.543 4.350 0.000 0.000 0.201 154 E C 1.371 177.969 176.600 -0.004 0.000 1.045 154 E CA 1.583 57.981 56.400 -0.004 0.000 0.872 154 E CB -1.219 28.479 29.700 -0.004 0.000 0.797 154 E HN 1.375 nan 8.360 nan 0.000 0.538 155 F N -2.617 117.330 119.950 -0.004 0.000 2.925 155 F HA 0.686 5.214 4.527 0.000 0.000 0.355 155 F C 1.791 177.588 175.800 -0.004 0.000 1.073 155 F CA 0.633 58.631 58.000 -0.004 0.000 1.127 155 F CB -0.559 38.438 39.000 -0.004 0.000 1.123 155 F HN 0.969 nan 8.300 nan 0.000 0.551 156 S N 0.135 115.832 115.700 -0.004 0.000 3.628 156 S HA 0.348 4.818 4.470 0.000 0.000 0.373 156 S C 0.131 174.728 174.600 -0.005 0.000 0.968 156 S CA 0.987 59.184 58.200 -0.005 0.000 1.215 156 S CB -2.776 60.422 63.200 -0.004 0.000 0.912 156 S HN 2.475 nan 8.310 nan 0.000 0.495 157 L N -0.523 120.697 121.223 -0.005 0.000 2.352 157 L HA 1.051 5.391 4.340 0.000 0.000 0.269 157 L C 0.890 177.757 176.870 -0.006 0.000 1.034 157 L CA 0.006 54.842 54.840 -0.005 0.000 0.806 157 L CB 0.494 42.549 42.059 -0.005 0.000 1.244 157 L HN 1.748 nan 8.230 nan 0.000 0.447 158 S N 0.014 115.710 115.700 -0.006 0.000 2.652 158 S HA 0.651 5.121 4.470 0.000 0.000 0.267 158 S C 1.766 176.362 174.600 -0.007 0.000 1.201 158 S CA 0.456 58.652 58.200 -0.006 0.000 0.996 158 S CB -0.270 62.926 63.200 -0.006 0.000 1.054 158 S HN 2.134 nan 8.310 nan 0.000 0.561 159 S N -0.588 115.108 115.700 -0.008 0.000 2.343 159 S HA 0.097 4.567 4.470 0.000 0.000 0.219 159 S C 2.308 176.904 174.600 -0.008 0.000 1.033 159 S CA 2.442 60.637 58.200 -0.008 0.000 1.014 159 S CB -1.440 61.755 63.200 -0.009 0.000 0.915 159 S HN 1.247 nan 8.310 nan 0.000 0.435 160 Q N -0.303 119.493 119.800 -0.007 0.000 2.291 160 Q HA 0.084 4.424 4.340 0.000 0.000 0.206 160 Q C 2.045 178.041 176.000 -0.006 0.000 0.976 160 Q CA 2.307 58.106 55.803 -0.007 0.000 0.875 160 Q CB -1.764 26.971 28.738 -0.006 0.000 0.927 160 Q HN 0.984 nan 8.270 nan 0.000 0.450 161 E N 0.172 120.368 120.200 -0.006 0.000 2.016 161 E HA 0.092 4.443 4.350 0.000 0.000 0.190 161 E C 2.570 179.166 176.600 -0.006 0.000 0.985 161 E CA 1.290 57.686 56.400 -0.006 0.000 0.802 161 E CB -1.419 28.278 29.700 -0.005 0.000 0.762 161 E HN 0.755 nan 8.360 nan 0.000 0.448 162 G N 0.400 109.196 108.800 -0.007 0.000 2.469 162 G HA2 -0.199 3.761 3.960 0.000 0.000 0.219 162 G HA3 -0.199 3.761 3.960 0.000 0.000 0.219 162 G C 1.959 176.855 174.900 -0.007 0.000 1.150 162 G CA 1.553 46.649 45.100 -0.007 0.000 0.763 162 G HN 0.430 nan 8.290 nan 0.000 0.561 163 V N 1.579 121.488 119.914 -0.008 0.000 2.287 163 V HA -0.179 3.942 4.120 0.000 0.000 0.248 163 V C 3.356 179.446 176.094 -0.007 0.000 1.053 163 V CA 2.115 64.411 62.300 -0.008 0.000 1.027 163 V CB -0.935 30.883 31.823 -0.008 0.000 0.646 163 V HN 0.498 nan 8.190 nan 0.000 0.447 164 A N -0.396 122.420 122.820 -0.006 0.000 1.940 164 A HA -0.235 4.085 4.320 0.000 0.000 0.219 164 A C 2.163 179.744 177.584 -0.005 0.000 1.176 164 A CA 2.259 54.293 52.037 -0.006 0.000 0.631 164 A CB -0.558 18.439 19.000 -0.005 0.000 0.814 164 A HN 0.477 nan 8.150 nan 0.000 0.446 165 L N -1.165 120.055 121.223 -0.006 0.000 2.072 165 L HA -0.085 4.255 4.340 0.000 0.000 0.205 165 L C 2.315 179.182 176.870 -0.006 0.000 1.079 165 L CA 1.762 56.599 54.840 -0.005 0.000 0.752 165 L CB -0.444 41.612 42.059 -0.005 0.000 0.906 165 L HN 0.276 nan 8.230 nan 0.000 0.436 166 M N -1.258 118.338 119.600 -0.006 0.000 2.117 166 M HA -0.225 4.255 4.480 0.000 0.000 0.262 166 M C 2.464 178.761 176.300 -0.006 0.000 1.065 166 M CA 1.502 56.798 55.300 -0.007 0.000 1.114 166 M CB -1.792 30.803 32.600 -0.007 0.000 1.361 166 M HN 0.389 nan 8.290 nan 0.000 0.408 167 C N 0.181 119.478 119.300 -0.006 0.000 2.429 167 C HA -0.135 4.325 4.460 0.000 0.000 0.277 167 C C 2.839 177.826 174.990 -0.005 0.000 1.262 167 C CA 0.460 59.475 59.018 -0.006 0.000 1.733 167 C CB -1.277 26.460 27.740 -0.006 0.000 2.010 167 C HN 0.536 nan 8.230 nan 0.000 0.483 168 L N 1.674 122.894 121.223 -0.005 0.000 2.017 168 L HA -0.127 4.213 4.340 0.000 0.000 0.208 168 L C 2.662 179.529 176.870 -0.004 0.000 1.073 168 L CA 2.523 57.360 54.840 -0.004 0.000 0.745 168 L CB -1.177 40.879 42.059 -0.004 0.000 0.894 168 L HN 0.338 nan 8.230 nan 0.000 0.432 169 A N -0.404 122.413 122.820 -0.005 0.000 1.969 169 A HA -0.256 4.064 4.320 0.000 0.000 0.218 169 A C 2.216 179.797 177.584 -0.005 0.000 1.169 169 A CA 1.612 53.646 52.037 -0.005 0.000 0.635 169 A CB -0.514 18.483 19.000 -0.005 0.000 0.810 169 A HN 0.650 nan 8.150 nan 0.000 0.445 170 E N -0.011 120.186 120.200 -0.005 0.000 2.072 170 E HA -0.085 4.265 4.350 0.000 0.000 0.191 170 E C 2.082 178.679 176.600 -0.005 0.000 0.985 170 E CA 0.938 57.335 56.400 -0.005 0.000 0.801 170 E CB -0.253 29.443 29.700 -0.006 0.000 0.750 170 E HN 0.508 nan 8.360 nan 0.000 0.452 171 A N 0.889 123.707 122.820 -0.004 0.000 1.972 171 A HA -0.104 4.217 4.320 0.000 0.000 0.219 171 A C 2.139 179.721 177.584 -0.004 0.000 1.169 171 A CA 0.899 52.934 52.037 -0.004 0.000 0.635 171 A CB -0.446 18.552 19.000 -0.004 0.000 0.810 171 A HN 0.318 nan 8.150 nan 0.000 0.446 172 L N -0.971 120.249 121.223 -0.004 0.000 2.179 172 L HA 0.003 4.343 4.340 0.000 0.000 0.208 172 L C 2.163 179.030 176.870 -0.003 0.000 1.096 172 L CA 0.484 55.322 54.840 -0.003 0.000 0.779 172 L CB -0.239 41.818 42.059 -0.003 0.000 0.922 172 L HN 0.334 nan 8.230 nan 0.000 0.443 173 L N -0.626 120.594 121.223 -0.004 0.000 2.465 173 L HA -0.076 4.264 4.340 0.000 0.000 0.224 173 L C 2.232 179.100 176.870 -0.004 0.000 1.145 173 L CA 0.608 55.446 54.840 -0.004 0.000 0.834 173 L CB -0.256 41.801 42.059 -0.004 0.000 0.944 173 L HN 0.198 nan 8.230 nan 0.000 0.451 174 R N -0.168 120.329 120.500 -0.004 0.000 2.310 174 R HA 0.180 4.520 4.340 0.000 0.000 0.202 174 R C 0.356 176.654 176.300 -0.003 0.000 0.933 174 R CA 0.046 56.144 56.100 -0.003 0.000 1.054 174 R CB 0.126 30.424 30.300 -0.004 0.000 0.985 174 R HN 0.270 nan 8.270 nan 0.000 0.489 175 I N 2.751 123.319 120.570 -0.003 0.000 2.436 175 I HA 0.052 4.223 4.170 0.000 0.000 0.289 175 I C -1.459 174.657 176.117 -0.002 0.000 1.083 175 I CA -1.816 59.482 61.300 -0.003 0.000 1.372 175 I CB 1.247 39.246 38.000 -0.003 0.000 1.408 175 I HN -0.192 nan 8.210 nan 0.000 0.516 176 P HA -0.072 nan 4.420 nan 0.000 0.216 176 P C -0.257 177.042 177.300 -0.002 0.000 1.153 176 P CA 1.258 64.357 63.100 -0.002 0.000 0.848 176 P CB 0.170 31.869 31.700 -0.002 0.000 0.787 177 D N -0.933 119.466 120.400 -0.002 0.000 2.168 177 D HA 0.083 4.723 4.640 0.000 0.000 0.246 177 D C 0.894 177.193 176.300 -0.002 0.000 1.050 177 D CA -0.408 53.591 54.000 -0.002 0.000 0.857 177 D CB 1.671 42.470 40.800 -0.002 0.000 1.169 177 D HN -0.079 nan 8.370 nan 0.000 0.453 178 K N 1.663 122.062 120.400 -0.002 0.000 2.097 178 K HA -0.128 4.192 4.320 0.000 0.000 0.205 178 K C 1.677 178.275 176.600 -0.002 0.000 1.050 178 K CA 0.980 57.266 56.287 -0.002 0.000 0.938 178 K CB 0.097 32.596 32.500 -0.002 0.000 0.718 178 K HN 0.434 nan 8.250 nan 0.000 0.442 179 A N 0.460 123.279 122.820 -0.002 0.000 1.902 179 A HA -0.144 4.176 4.320 0.000 0.000 0.217 179 A C 2.106 179.689 177.584 -0.002 0.000 1.181 179 A CA 2.189 54.225 52.037 -0.002 0.000 0.623 179 A CB -0.899 18.100 19.000 -0.001 0.000 0.818 179 A HN 0.407 nan 8.150 nan 0.000 0.443 180 T N -0.978 113.575 114.554 -0.002 0.000 2.857 180 T HA -0.092 4.258 4.350 0.000 0.000 0.266 180 T C 2.040 176.739 174.700 -0.002 0.000 1.048 180 T CA 1.273 63.372 62.100 -0.002 0.000 1.139 180 T CB -0.190 68.677 68.868 -0.002 0.000 0.874 180 T HN 0.553 nan 8.240 nan 0.000 0.455 181 R N 1.066 121.565 120.500 -0.002 0.000 2.070 181 R HA -0.134 4.206 4.340 0.000 0.000 0.233 181 R C 1.914 178.212 176.300 -0.002 0.000 1.137 181 R CA 1.807 57.906 56.100 -0.002 0.000 0.945 181 R CB -0.268 30.031 30.300 -0.002 0.000 0.845 181 R HN 0.252 nan 8.270 nan 0.000 0.430 182 D N 0.453 120.852 120.400 -0.002 0.000 2.103 182 D HA -0.185 4.455 4.640 0.000 0.000 0.190 182 D C 1.755 178.054 176.300 -0.002 0.000 0.997 182 D CA 1.816 55.815 54.000 -0.002 0.000 0.833 182 D CB -0.501 40.298 40.800 -0.002 0.000 0.961 182 D HN 0.402 nan 8.370 nan 0.000 0.447 183 A N 0.320 123.139 122.820 -0.002 0.000 2.024 183 A HA -0.101 4.219 4.320 0.000 0.000 0.220 183 A C 1.351 178.934 177.584 -0.002 0.000 1.164 183 A CA 0.519 52.555 52.037 -0.002 0.000 0.643 183 A CB -0.500 18.499 19.000 -0.002 0.000 0.806 183 A HN 0.216 nan 8.150 nan 0.000 0.451 241 E N 0.321 120.528 120.200 0.011 0.000 2.152 241 E HA 0.051 4.401 4.350 0.000 0.000 0.192 241 E C -0.512 176.096 176.600 0.014 0.000 0.983 241 E CA 1.471 57.879 56.400 0.013 0.000 0.818 241 E CB -0.554 29.155 29.700 0.014 0.000 0.758 241 E HN 0.240 nan 8.360 nan 0.000 0.467 242 P HA -0.153 nan 4.420 nan 0.000 0.218 242 P C 1.781 179.089 177.300 0.014 0.000 1.148 242 P CA 2.179 65.288 63.100 0.014 0.000 0.822 242 P CB -0.241 31.467 31.700 0.012 0.000 0.784 243 L N -0.683 120.547 121.223 0.012 0.000 2.046 243 L HA -0.090 4.251 4.340 0.000 0.000 0.208 243 L C 2.693 179.571 176.870 0.013 0.000 1.077 243 L CA 2.803 57.650 54.840 0.011 0.000 0.747 243 L CB -2.411 39.653 42.059 0.009 0.000 0.896 243 L HN 0.085 nan 8.230 nan 0.000 0.432 244 I N -0.412 120.166 120.570 0.015 0.000 2.286 244 I HA 0.038 4.209 4.170 0.000 0.000 0.245 244 I C 3.046 179.176 176.117 0.021 0.000 1.104 244 I CA 2.820 64.130 61.300 0.017 0.000 1.397 244 I CB -1.809 36.202 38.000 0.017 0.000 1.072 244 I HN 0.698 nan 8.210 nan 0.000 0.417 245 R N 0.894 121.407 120.500 0.022 0.000 2.120 245 R HA -0.080 4.261 4.340 0.000 0.000 0.234 245 R C 2.534 178.851 176.300 0.029 0.000 1.123 245 R CA 2.541 58.657 56.100 0.027 0.000 0.975 245 R CB -1.723 28.593 30.300 0.026 0.000 0.866 245 R HN 0.913 nan 8.270 nan 0.000 0.446 246 K N -0.175 120.239 120.400 0.023 0.000 2.137 246 K HA 0.209 4.530 4.320 0.000 0.000 0.202 246 K C 2.723 179.334 176.600 0.019 0.000 1.052 246 K CA 1.085 57.384 56.287 0.020 0.000 0.961 246 K CB -1.184 31.323 32.500 0.012 0.000 0.741 246 K HN 0.576 nan 8.250 nan 0.000 0.452 247 G N 0.614 109.425 108.800 0.018 0.000 2.442 247 G HA2 -0.157 3.803 3.960 0.000 0.000 0.219 247 G HA3 -0.157 3.803 3.960 0.000 0.000 0.219 247 G C 1.757 176.672 174.900 0.025 0.000 1.141 247 G CA 1.206 46.317 45.100 0.018 0.000 0.763 247 G HN 0.316 nan 8.290 nan 0.000 0.554 248 V N 0.926 120.858 119.914 0.030 0.000 2.453 248 V HA -0.124 3.996 4.120 0.000 0.000 0.247 248 V C 2.427 178.550 176.094 0.047 0.000 1.048 248 V CA 2.174 64.497 62.300 0.039 0.000 1.049 248 V CB -0.257 31.590 31.823 0.040 0.000 0.672 248 V HN 0.438 nan 8.190 nan 0.000 0.457 249 D N -0.637 119.790 120.400 0.046 0.000 2.117 249 D HA -0.222 4.418 4.640 0.000 0.000 0.197 249 D C 1.998 178.323 176.300 0.042 0.000 0.987 249 D CA 1.390 55.424 54.000 0.057 0.000 0.829 249 D CB -0.046 40.787 40.800 0.054 0.000 0.961 249 D HN 0.258 nan 8.370 nan 0.000 0.460 250 M N 0.104 119.719 119.600 0.024 0.000 2.156 250 M HA 0.167 4.648 4.480 0.000 0.000 0.264 250 M C 1.903 178.218 176.300 0.026 0.000 1.067 250 M CA 1.356 56.664 55.300 0.012 0.000 1.131 250 M CB -0.567 32.035 32.600 0.003 0.000 1.368 250 M HN 0.079 nan 8.290 nan 0.000 0.416 251 A N -0.122 122.718 122.820 0.033 0.000 1.969 251 A HA -0.175 4.146 4.320 0.000 0.000 0.218 251 A C 2.317 179.937 177.584 0.060 0.000 1.169 251 A CA 1.852 53.913 52.037 0.040 0.000 0.635 251 A CB -0.881 18.142 19.000 0.038 0.000 0.810 251 A HN 0.671 nan 8.150 nan 0.000 0.445 252 M N -0.495 119.147 119.600 0.070 0.000 2.067 252 M HA -0.184 4.296 4.480 0.000 0.000 0.260 252 M C 2.233 178.598 176.300 0.108 0.000 1.069 252 M CA 1.907 57.265 55.300 0.097 0.000 1.117 252 M CB -0.243 32.418 32.600 0.101 0.000 1.334 252 M HN 0.379 nan 8.290 nan 0.000 0.407 253 R N 0.134 120.686 120.500 0.087 0.000 2.081 253 R HA -0.118 4.222 4.340 0.000 0.000 0.235 253 R C 2.131 178.468 176.300 0.061 0.000 1.131 253 R CA 1.217 57.365 56.100 0.080 0.000 0.960 253 R CB -0.568 29.756 30.300 0.040 0.000 0.856 253 R HN 0.306 nan 8.270 nan 0.000 0.436 254 L N 0.392 121.641 121.223 0.043 0.000 2.017 254 L HA -0.098 4.242 4.340 0.000 0.000 0.208 254 L C 2.240 179.128 176.870 0.029 0.000 1.073 254 L CA 1.784 56.640 54.840 0.025 0.000 0.745 254 L CB -0.502 41.567 42.059 0.016 0.000 0.894 254 L HN 0.218 nan 8.230 nan 0.000 0.432 255 M N -1.766 117.871 119.600 0.062 0.000 2.419 255 M HA -0.012 4.468 4.480 0.000 0.000 0.264 255 M C 1.980 178.365 176.300 0.140 0.000 1.082 255 M CA 1.160 56.512 55.300 0.086 0.000 1.119 255 M CB -0.555 32.123 32.600 0.130 0.000 1.398 255 M HN 0.341 nan 8.290 nan 0.000 0.453 256 G N -0.095 108.811 108.800 0.176 0.000 2.494 256 G HA2 -0.095 3.865 3.960 0.000 0.000 0.216 256 G HA3 -0.095 3.865 3.960 0.000 0.000 0.216 256 G C 1.270 176.276 174.900 0.177 0.000 1.140 256 G CA 0.098 45.372 45.100 0.289 0.000 0.801 256 G HN 0.418 nan 8.290 nan 0.000 0.536 257 E N 0.793 121.030 120.200 0.062 0.000 2.114 257 E HA -0.286 4.064 4.350 0.000 0.000 0.199 257 E C 2.616 179.201 176.600 -0.026 0.000 1.008 257 E CA 1.492 57.910 56.400 0.030 0.000 0.810 257 E CB -0.178 29.523 29.700 0.002 0.000 0.739 257 E HN 0.772 nan 8.360 nan 0.000 0.456 258 Q N -0.101 119.566 119.800 -0.222 0.000 2.364 258 Q HA -0.156 4.185 4.340 0.000 0.000 0.209 258 Q C 1.342 177.063 176.000 -0.465 0.000 0.977 258 Q CA 1.362 56.914 55.803 -0.419 0.000 0.885 258 Q CB -0.219 28.127 28.738 -0.653 0.000 0.941 258 Q HN 0.350 nan 8.270 nan 0.000 0.464 259 F N 0.522 120.530 119.950 0.097 0.000 2.721 259 F HA 0.274 4.802 4.527 0.000 0.000 0.301 259 F C 0.270 176.265 175.800 0.324 0.000 1.096 259 F CA -0.693 57.419 58.000 0.188 0.000 1.308 259 F CB 1.078 40.238 39.000 0.267 0.000 1.086 259 F HN -0.180 nan 8.300 nan 0.000 0.587 260 V N 0.303 120.443 119.914 0.376 0.000 2.427 260 V HA 0.160 4.280 4.120 0.000 0.000 0.286 260 V C 0.776 176.953 176.094 0.139 0.000 1.034 260 V CA -0.159 62.273 62.300 0.220 0.000 0.893 260 V CB 1.445 33.343 31.823 0.125 0.000 0.982 260 V HN 0.136 nan 8.190 nan 0.000 0.452 261 T N 2.632 117.159 114.554 -0.045 0.000 2.894 261 T HA 0.275 4.625 4.350 0.000 0.000 0.258 261 T C 0.687 175.337 174.700 -0.083 0.000 1.043 261 T CA 1.135 63.094 62.100 -0.235 0.000 1.141 261 T CB 0.197 68.931 68.868 -0.224 0.000 0.873 261 T HN 0.949 nan 8.240 nan 0.000 0.449 262 G N -0.259 108.522 108.800 -0.032 0.000 2.601 262 G HA2 0.425 4.385 3.960 0.000 0.000 0.291 262 G HA3 0.425 4.385 3.960 0.000 0.000 0.291 262 G C -0.298 174.595 174.900 -0.011 0.000 1.456 262 G CA -0.512 44.574 45.100 -0.023 0.000 0.804 262 G HN -0.100 nan 8.290 nan 0.000 0.499 263 E N -0.591 119.605 120.200 -0.007 0.000 2.208 263 E HA 0.003 4.353 4.350 0.000 0.000 0.193 263 E C 1.343 177.932 176.600 -0.017 0.000 0.988 263 E CA 1.549 57.949 56.400 -0.000 0.000 0.828 263 E CB 0.176 29.884 29.700 0.012 0.000 0.763 263 E HN 0.653 nan 8.360 nan 0.000 0.478 264 T N -2.310 112.223 114.554 -0.034 0.000 2.906 264 T HA 0.369 4.719 4.350 0.000 0.000 0.295 264 T C 0.873 175.523 174.700 -0.082 0.000 1.075 264 T CA -0.826 61.245 62.100 -0.049 0.000 1.005 264 T CB 1.668 70.508 68.868 -0.047 0.000 1.136 264 T HN -0.138 nan 8.240 nan 0.000 0.498 265 I N 1.731 122.240 120.570 -0.103 0.000 2.286 265 I HA 0.075 4.245 4.170 0.000 0.000 0.248 265 I C 2.534 178.519 176.117 -0.221 0.000 1.115 265 I CA 2.016 63.206 61.300 -0.183 0.000 1.392 265 I CB -0.897 36.999 38.000 -0.173 0.000 1.065 265 I HN 0.886 nan 8.210 nan 0.000 0.418 266 A N -0.149 122.582 122.820 -0.149 0.000 1.902 266 A HA -0.278 4.042 4.320 0.000 0.000 0.217 266 A C 2.402 179.910 177.584 -0.126 0.000 1.181 266 A CA 1.946 53.902 52.037 -0.134 0.000 0.623 266 A CB -0.871 18.076 19.000 -0.090 0.000 0.818 266 A HN 0.646 nan 8.150 nan 0.000 0.443 267 E N -0.115 120.023 120.200 -0.103 0.000 2.106 267 E HA -0.068 4.282 4.350 0.000 0.000 0.192 267 E C 2.073 178.612 176.600 -0.101 0.000 0.984 267 E CA 0.947 57.298 56.400 -0.083 0.000 0.806 267 E CB -0.255 29.411 29.700 -0.056 0.000 0.750 267 E HN 0.512 nan 8.360 nan 0.000 0.458 268 A N 1.261 124.004 122.820 -0.127 0.000 1.873 268 A HA -0.124 4.196 4.320 0.000 0.000 0.215 268 A C 2.221 179.697 177.584 -0.181 0.000 1.186 268 A CA 1.119 53.084 52.037 -0.120 0.000 0.616 268 A CB -0.717 18.235 19.000 -0.080 0.000 0.823 268 A HN 0.313 nan 8.150 nan 0.000 0.442 269 L N -0.557 120.480 121.223 -0.311 0.000 2.042 269 L HA -0.241 4.099 4.340 0.000 0.000 0.210 269 L C 3.057 179.830 176.870 -0.161 0.000 1.076 269 L CA 1.140 55.811 54.840 -0.282 0.000 0.749 269 L CB -0.547 41.335 42.059 -0.295 0.000 0.893 269 L HN 0.439 nan 8.230 nan 0.000 0.432 270 A N 0.037 122.779 122.820 -0.130 0.000 2.024 270 A HA -0.226 4.094 4.320 0.000 0.000 0.220 270 A C 1.773 179.308 177.584 -0.081 0.000 1.164 270 A CA 1.963 53.948 52.037 -0.087 0.000 0.643 270 A CB -0.803 18.155 19.000 -0.069 0.000 0.806 270 A HN 0.614 nan 8.150 nan 0.000 0.451 271 N N -0.576 118.061 118.700 -0.106 0.000 2.370 271 N HA 0.300 5.040 4.740 0.000 0.000 0.198 271 N C 1.341 176.762 175.510 -0.148 0.000 1.156 271 N CA 0.273 53.265 53.050 -0.097 0.000 0.839 271 N CB 0.132 38.566 38.487 -0.089 0.000 0.989 271 N HN 0.513 nan 8.380 nan 0.000 0.468 272 A N 1.409 124.111 122.820 -0.197 0.000 1.903 272 A HA -0.026 4.294 4.320 0.000 0.000 0.213 272 A C 2.543 180.116 177.584 -0.017 0.000 1.185 272 A CA 1.154 53.011 52.037 -0.300 0.000 0.628 272 A CB -0.644 18.199 19.000 -0.261 0.000 0.830 272 A HN 0.362 nan 8.150 nan 0.000 0.446 273 R N -0.618 119.888 120.500 0.010 0.000 2.096 273 R HA -0.181 4.159 4.340 0.000 0.000 0.240 273 R C 2.552 178.909 176.300 0.095 0.000 1.139 273 R CA 3.320 59.457 56.100 0.062 0.000 0.952 273 R CB -1.942 28.381 30.300 0.038 0.000 0.854 273 R HN 0.810 nan 8.270 nan 0.000 0.436 274 K N 0.721 121.164 120.400 0.072 0.000 2.071 274 K HA -0.081 4.239 4.320 0.000 0.000 0.217 274 K C 2.370 179.041 176.600 0.118 0.000 1.054 274 K CA 2.064 58.398 56.287 0.078 0.000 0.937 274 K CB -0.904 31.628 32.500 0.054 0.000 0.719 274 K HN 0.551 nan 8.250 nan 0.000 0.454 275 L N -0.369 120.951 121.223 0.162 0.000 2.354 275 L HA 0.045 4.385 4.340 0.000 0.000 0.212 275 L C 2.614 179.695 176.870 0.353 0.000 1.091 275 L CA 0.428 55.388 54.840 0.200 0.000 0.828 275 L CB 0.041 42.094 42.059 -0.010 0.000 0.973 275 L HN 0.462 nan 8.230 nan 0.000 0.461 276 E N 0.693 121.092 120.200 0.332 0.000 2.150 276 E HA -0.213 4.137 4.350 0.000 0.000 0.193 276 E C 2.168 178.893 176.600 0.209 0.000 0.985 276 E CA 1.281 57.858 56.400 0.294 0.000 0.814 276 E CB 0.065 29.918 29.700 0.254 0.000 0.752 276 E HN 0.602 nan 8.360 nan 0.000 0.466 277 E N 1.720 122.025 120.200 0.175 0.000 2.338 277 E HA -0.145 4.205 4.350 0.000 0.000 0.197 277 E C 1.510 178.195 176.600 0.141 0.000 1.007 277 E CA 0.949 57.429 56.400 0.132 0.000 0.849 277 E CB -0.499 29.264 29.700 0.104 0.000 0.774 277 E HN 0.178 nan 8.360 nan 0.000 0.506 278 K N -1.760 118.760 120.400 0.201 0.000 2.358 278 K HA 0.360 4.680 4.320 0.000 0.000 0.197 278 K C 1.135 177.827 176.600 0.153 0.000 1.025 278 K CA 0.334 56.744 56.287 0.205 0.000 1.104 278 K CB 0.933 33.609 32.500 0.294 0.000 0.855 278 K HN 0.391 nan 8.250 nan 0.000 0.531 279 G N 1.061 109.946 108.800 0.141 0.000 2.179 279 G HA2 -0.235 3.725 3.960 0.000 0.000 0.220 279 G HA3 -0.235 3.725 3.960 0.000 0.000 0.220 279 G C -0.087 174.793 174.900 -0.033 0.000 0.990 279 G CA -0.596 44.524 45.100 0.034 0.000 0.646 279 G HN 0.140 nan 8.290 nan 0.000 0.517 280 F N 0.981 120.963 119.950 0.053 0.000 2.406 280 F HA 0.731 5.258 4.527 0.000 0.000 0.327 280 F C 1.361 177.166 175.800 0.009 0.000 1.153 280 F CA 0.018 58.014 58.000 -0.007 0.000 1.218 280 F CB 0.741 39.705 39.000 -0.060 0.000 1.215 280 F HN 0.049 nan 8.300 nan 0.000 0.570 281 R N 0.459 121.030 120.500 0.119 0.000 2.919 281 R HA 0.607 4.947 4.340 0.000 0.000 0.260 281 R C -1.829 174.418 176.300 -0.088 0.000 1.067 281 R CA -0.995 55.169 56.100 0.107 0.000 1.003 281 R CB 1.475 31.829 30.300 0.090 0.000 1.192 281 R HN 0.485 nan 8.270 nan 0.000 0.488 282 Y N -0.975 119.315 120.300 -0.017 0.000 2.536 282 Y HA 0.482 5.032 4.550 0.000 0.000 0.347 282 Y C -0.280 175.465 175.900 -0.259 0.000 1.000 282 Y CA -0.570 57.406 58.100 -0.208 0.000 1.051 282 Y CB 2.741 40.954 38.460 -0.413 0.000 1.259 282 Y HN 0.430 nan 8.280 nan 0.000 0.468 283 S N 2.013 117.599 115.700 -0.189 0.000 2.561 283 S HA 0.563 5.034 4.470 0.000 0.000 0.303 283 S C -1.796 172.653 174.600 -0.252 0.000 1.110 283 S CA -0.496 57.618 58.200 -0.143 0.000 1.034 283 S CB 0.218 63.397 63.200 -0.036 0.000 1.010 283 S HN 0.479 nan 8.310 nan 0.000 0.482 284 Y N 2.683 123.045 120.300 0.104 0.000 2.313 284 Y HA 0.397 4.948 4.550 0.000 0.000 0.332 284 Y C 0.407 176.351 175.900 0.074 0.000 1.071 284 Y CA -0.577 57.570 58.100 0.079 0.000 1.169 284 Y CB 1.028 39.515 38.460 0.044 0.000 1.192 284 Y HN 0.599 nan 8.280 nan 0.000 0.487 285 D N 4.099 124.609 120.400 0.183 0.000 2.462 285 D HA 0.186 4.826 4.640 0.000 0.000 0.249 285 D C -0.806 175.550 176.300 0.094 0.000 1.117 285 D CA -0.606 53.469 54.000 0.125 0.000 0.900 285 D CB 0.461 41.303 40.800 0.070 0.000 1.039 285 D HN 0.281 nan 8.370 nan 0.000 0.516 286 M N 3.857 123.551 119.600 0.157 0.000 2.513 286 M HA 0.123 4.603 4.480 0.000 0.000 0.341 286 M C 0.172 176.456 176.300 -0.026 0.000 1.689 286 M CA 0.023 55.358 55.300 0.058 0.000 1.202 286 M CB -0.389 32.226 32.600 0.025 0.000 1.996 286 M HN 0.342 nan 8.290 nan 0.000 0.458 287 L N 2.655 123.839 121.223 -0.064 0.000 2.483 287 L HA 0.485 4.825 4.340 0.000 0.000 0.276 287 L C 0.984 177.790 176.870 -0.108 0.000 1.213 287 L CA 0.166 54.955 54.840 -0.085 0.000 0.843 287 L CB 0.220 42.224 42.059 -0.090 0.000 1.107 287 L HN 0.914 nan 8.230 nan 0.000 0.487 288 G N 2.018 110.734 108.800 -0.140 0.000 3.088 288 G HA2 0.194 4.155 3.960 0.000 0.000 0.620 288 G HA3 0.194 4.155 3.960 0.000 0.000 0.620 288 G C -1.175 173.376 174.900 -0.581 0.000 1.375 288 G CA -0.463 44.464 45.100 -0.288 0.000 1.016 288 G HN 0.809 nan 8.290 nan 0.000 0.590 289 E N 0.952 120.974 120.200 -0.297 0.000 2.456 289 E HA 0.728 5.078 4.350 0.000 0.000 0.278 289 E C 0.505 177.114 176.600 0.016 0.000 1.034 289 E CA -0.752 55.546 56.400 -0.169 0.000 0.846 289 E CB 1.226 30.922 29.700 -0.006 0.000 1.460 289 E HN 2.400 nan 8.360 nan 0.000 0.463 290 A N -0.395 122.470 122.820 0.075 0.000 2.687 290 A HA -0.033 4.288 4.320 0.000 0.000 0.299 290 A C 0.625 178.315 177.584 0.176 0.000 1.497 290 A CA 0.733 52.857 52.037 0.146 0.000 0.751 290 A CB -2.354 16.732 19.000 0.142 0.000 1.048 290 A HN 1.440 nan 8.150 nan 0.000 0.464 291 A N -0.447 122.503 122.820 0.216 0.000 2.584 291 A HA 0.390 4.710 4.320 0.000 0.000 0.239 291 A C 1.273 178.943 177.584 0.144 0.000 1.043 291 A CA 0.859 53.044 52.037 0.248 0.000 0.756 291 A CB -0.026 19.132 19.000 0.264 0.000 0.963 291 A HN 1.201 nan 8.150 nan 0.000 0.511 292 L N 1.940 123.225 121.223 0.103 0.000 2.408 292 L HA 0.095 4.435 4.340 0.000 0.000 0.215 292 L C 1.513 178.401 176.870 0.030 0.000 1.081 292 L CA 1.168 56.047 54.840 0.066 0.000 0.840 292 L CB -0.292 41.801 42.059 0.057 0.000 1.002 292 L HN 0.932 nan 8.230 nan 0.000 0.468 293 T N -4.852 109.710 114.554 0.012 0.000 2.910 293 T HA 0.597 4.947 4.350 0.000 0.000 0.287 293 T C 0.906 175.589 174.700 -0.029 0.000 1.050 293 T CA -0.101 61.991 62.100 -0.013 0.000 1.011 293 T CB 2.344 71.200 68.868 -0.021 0.000 1.195 293 T HN -0.037 nan 8.240 nan 0.000 0.540 294 A N 0.630 123.427 122.820 -0.038 0.000 1.902 294 A HA 0.265 4.585 4.320 0.000 0.000 0.217 294 A C 2.579 180.138 177.584 -0.041 0.000 1.181 294 A CA 1.890 53.901 52.037 -0.042 0.000 0.623 294 A CB -1.557 17.422 19.000 -0.035 0.000 0.818 294 A HN 1.298 nan 8.150 nan 0.000 0.443 295 A N 0.145 122.936 122.820 -0.049 0.000 1.877 295 A HA -0.202 4.119 4.320 0.000 0.000 0.216 295 A C 1.778 179.293 177.584 -0.116 0.000 1.186 295 A CA 2.005 54.001 52.037 -0.069 0.000 0.620 295 A CB -0.698 18.264 19.000 -0.064 0.000 0.822 295 A HN 0.449 nan 8.150 nan 0.000 0.443 296 D N 0.104 120.429 120.400 -0.125 0.000 2.106 296 D HA -0.130 4.510 4.640 0.000 0.000 0.191 296 D C 2.217 178.364 176.300 -0.254 0.000 0.997 296 D CA 1.896 55.757 54.000 -0.233 0.000 0.834 296 D CB -0.479 40.257 40.800 -0.107 0.000 0.956 296 D HN 0.428 nan 8.370 nan 0.000 0.448 297 A N 0.252 123.048 122.820 -0.040 0.000 1.969 297 A HA -0.204 4.116 4.320 0.000 0.000 0.218 297 A C 2.113 179.723 177.584 0.044 0.000 1.169 297 A CA 1.748 53.836 52.037 0.085 0.000 0.635 297 A CB -0.536 18.511 19.000 0.079 0.000 0.810 297 A HN 0.157 nan 8.150 nan 0.000 0.445 298 Q N 0.109 119.896 119.800 -0.022 0.000 2.046 298 Q HA -0.010 4.331 4.340 0.000 0.000 0.200 298 Q C 2.053 178.023 176.000 -0.051 0.000 0.975 298 Q CA 2.201 57.993 55.803 -0.018 0.000 0.836 298 Q CB -0.665 28.055 28.738 -0.030 0.000 0.896 298 Q HN 0.521 nan 8.270 nan 0.000 0.428 299 A N -0.569 122.164 122.820 -0.146 0.000 1.908 299 A HA -0.188 4.132 4.320 0.000 0.000 0.218 299 A C 1.880 179.360 177.584 -0.172 0.000 1.181 299 A CA 1.628 53.545 52.037 -0.201 0.000 0.627 299 A CB -1.056 17.748 19.000 -0.327 0.000 0.818 299 A HN 0.534 nan 8.150 nan 0.000 0.445 300 Y N -1.284 118.951 120.300 -0.108 0.000 2.224 300 Y HA -0.174 4.376 4.550 0.000 0.000 0.289 300 Y C 2.436 178.216 175.900 -0.200 0.000 1.146 300 Y CA 1.518 59.480 58.100 -0.229 0.000 1.182 300 Y CB -0.743 37.600 38.460 -0.195 0.000 0.983 300 Y HN 0.388 nan 8.280 nan 0.000 0.524 301 M N -0.406 119.273 119.600 0.132 0.000 2.117 301 M HA -0.138 4.343 4.480 0.000 0.000 0.262 301 M C 1.946 178.319 176.300 0.123 0.000 1.065 301 M CA 1.525 56.931 55.300 0.176 0.000 1.114 301 M CB -0.782 31.895 32.600 0.128 0.000 1.361 301 M HN 0.010 nan 8.290 nan 0.000 0.408 302 V N -0.867 119.079 119.914 0.054 0.000 2.358 302 V HA -0.202 3.918 4.120 0.000 0.000 0.246 302 V C 2.498 178.615 176.094 0.039 0.000 1.047 302 V CA 1.920 64.246 62.300 0.042 0.000 1.035 302 V CB -1.130 30.697 31.823 0.007 0.000 0.658 302 V HN 0.665 nan 8.190 nan 0.000 0.452 303 S N -1.154 114.541 115.700 -0.008 0.000 2.382 303 S HA -0.195 4.276 4.470 0.000 0.000 0.228 303 S C 2.000 176.611 174.600 0.019 0.000 1.027 303 S CA 1.489 59.669 58.200 -0.033 0.000 0.991 303 S CB -0.354 62.792 63.200 -0.091 0.000 0.823 303 S HN 0.590 nan 8.310 nan 0.000 0.469 304 Y N 1.969 122.303 120.300 0.056 0.000 2.181 304 Y HA -0.029 4.521 4.550 0.000 0.000 0.288 304 Y C 2.671 178.575 175.900 0.007 0.000 1.146 304 Y CA 1.154 59.271 58.100 0.029 0.000 1.164 304 Y CB -0.887 37.590 38.460 0.029 0.000 0.982 304 Y HN 0.404 nan 8.280 nan 0.000 0.515 305 Q N -0.279 119.630 119.800 0.182 0.000 2.020 305 Q HA -0.282 4.058 4.340 0.000 0.000 0.202 305 Q C 2.371 178.449 176.000 0.131 0.000 0.982 305 Q CA 1.803 57.670 55.803 0.107 0.000 0.838 305 Q CB -0.332 28.484 28.738 0.129 0.000 0.899 305 Q HN 0.556 nan 8.270 nan 0.000 0.423 306 Q N 0.351 120.242 119.800 0.151 0.000 2.096 306 Q HA -0.223 4.117 4.340 0.000 0.000 0.204 306 Q C 1.988 178.028 176.000 0.067 0.000 0.982 306 Q CA 1.561 57.446 55.803 0.136 0.000 0.850 306 Q CB -0.194 28.581 28.738 0.062 0.000 0.901 306 Q HN 0.368 nan 8.270 nan 0.000 0.422 307 A N 0.900 123.745 122.820 0.042 0.000 1.933 307 A HA -0.161 4.159 4.320 0.000 0.000 0.218 307 A C 2.024 179.574 177.584 -0.057 0.000 1.175 307 A CA 1.425 53.460 52.037 -0.004 0.000 0.628 307 A CB -0.626 18.410 19.000 0.061 0.000 0.814 307 A HN 0.510 nan 8.150 nan 0.000 0.444 308 I N -1.359 119.173 120.570 -0.062 0.000 2.252 308 I HA -0.221 3.949 4.170 0.000 0.000 0.245 308 I C 2.470 178.338 176.117 -0.414 0.000 1.102 308 I CA 1.141 62.335 61.300 -0.177 0.000 1.385 308 I CB -0.579 37.333 38.000 -0.146 0.000 1.064 308 I HN 0.403 nan 8.210 nan 0.000 0.414 309 H N 0.768 119.685 119.070 -0.254 0.000 2.319 309 H HA -0.146 4.411 4.556 0.000 0.000 0.299 309 H C 2.360 177.437 175.328 -0.418 0.000 1.092 309 H CA 1.836 57.658 56.048 -0.376 0.000 1.302 309 H CB -0.275 29.450 29.762 -0.062 0.000 1.373 309 H HN 0.370 nan 8.280 nan 0.000 0.497 310 A N 0.904 123.649 122.820 -0.125 0.000 1.898 310 A HA -0.095 4.225 4.320 0.000 0.000 0.216 310 A C 2.701 180.161 177.584 -0.206 0.000 1.181 310 A CA 1.268 53.217 52.037 -0.147 0.000 0.620 310 A CB -0.704 18.220 19.000 -0.128 0.000 0.819 310 A HN 0.291 nan 8.150 nan 0.000 0.442 311 I N -0.385 120.048 120.570 -0.229 0.000 2.353 311 I HA -0.133 4.038 4.170 0.000 0.000 0.248 311 I C 2.648 178.660 176.117 -0.176 0.000 1.119 311 I CA 0.989 62.186 61.300 -0.173 0.000 1.417 311 I CB -0.558 37.399 38.000 -0.072 0.000 1.078 311 I HN 0.379 nan 8.210 nan 0.000 0.421 312 G N 0.972 109.530 108.800 -0.402 0.000 2.422 312 G HA2 -0.204 3.757 3.960 0.000 0.000 0.218 312 G HA3 -0.204 3.757 3.960 0.000 0.000 0.218 312 G C 1.744 176.522 174.900 -0.204 0.000 1.140 312 G CA 0.511 45.313 45.100 -0.496 0.000 0.775 312 G HN 0.319 nan 8.290 nan 0.000 0.545 313 K N 0.417 120.677 120.400 -0.233 0.000 2.103 313 K HA 0.196 4.516 4.320 0.000 0.000 0.204 313 K C 2.898 179.497 176.600 -0.001 0.000 1.052 313 K CA 0.782 57.065 56.287 -0.007 0.000 0.945 313 K CB -0.097 32.401 32.500 -0.003 0.000 0.722 313 K HN 0.250 nan 8.250 nan 0.000 0.443 314 A N 0.888 123.682 122.820 -0.044 0.000 1.898 314 A HA -0.172 4.149 4.320 0.000 0.000 0.216 314 A C 2.207 179.807 177.584 0.027 0.000 1.181 314 A CA 1.923 53.950 52.037 -0.017 0.000 0.620 314 A CB -0.746 18.224 19.000 -0.049 0.000 0.819 314 A HN 0.265 nan 8.150 nan 0.000 0.442 315 S N -0.128 115.595 115.700 0.038 0.000 2.353 315 S HA -0.272 4.198 4.470 0.000 0.000 0.222 315 S C 1.107 175.757 174.600 0.083 0.000 1.035 315 S CA 1.653 59.898 58.200 0.077 0.000 1.025 315 S CB -0.579 62.676 63.200 0.091 0.000 0.902 315 S HN 0.753 nan 8.310 nan 0.000 0.440 316 N N -0.198 118.560 118.700 0.096 0.000 2.738 316 N HA -0.196 4.544 4.740 0.000 0.000 0.249 316 N C 0.551 176.114 175.510 0.089 0.000 1.047 316 N CA 0.604 53.710 53.050 0.094 0.000 0.707 316 N CB -1.547 36.981 38.487 0.069 0.000 0.937 316 N HN 0.933 nan 8.380 nan 0.000 0.545 317 G N -0.243 108.619 108.800 0.104 0.000 2.176 317 G HA2 -0.335 3.625 3.960 0.000 0.000 0.253 317 G HA3 -0.335 3.625 3.960 0.000 0.000 0.253 317 G C 0.767 175.718 174.900 0.085 0.000 0.979 317 G CA 0.582 45.735 45.100 0.089 0.000 0.641 317 G HN 0.575 nan 8.290 nan 0.000 0.530 318 R N 0.615 121.167 120.500 0.087 0.000 2.193 318 R HA 0.305 4.645 4.340 0.000 0.000 0.229 318 R C 1.764 178.115 176.300 0.085 0.000 1.110 318 R CA 1.275 57.425 56.100 0.084 0.000 0.988 318 R CB -0.260 30.093 30.300 0.088 0.000 0.871 318 R HN 1.686 nan 8.270 nan 0.000 0.458 319 G N 0.170 109.022 108.800 0.088 0.000 2.756 319 G HA2 -0.240 3.721 3.960 0.000 0.000 0.678 319 G HA3 -0.240 3.721 3.960 0.000 0.000 0.678 319 G C 0.505 175.409 174.900 0.007 0.000 1.349 319 G CA -0.230 44.910 45.100 0.067 0.000 0.847 319 G HN 0.275 nan 8.290 nan 0.000 0.548 320 I N -2.735 117.754 120.570 -0.135 0.000 2.676 320 I HA 0.069 4.239 4.170 0.000 0.000 0.259 320 I C 2.079 177.976 176.117 -0.367 0.000 1.194 320 I CA 1.355 62.477 61.300 -0.297 0.000 1.473 320 I CB -0.332 37.323 38.000 -0.575 0.000 1.096 320 I HN 0.532 nan 8.210 nan 0.000 0.443 321 Y N 1.579 121.804 120.300 -0.124 0.000 2.230 321 Y HA 0.088 4.638 4.550 0.000 0.000 0.294 321 Y C 2.649 178.531 175.900 -0.030 0.000 1.120 321 Y CA 0.728 58.738 58.100 -0.151 0.000 1.129 321 Y CB -0.047 38.261 38.460 -0.253 0.000 1.040 321 Y HN 0.048 nan 8.280 nan 0.000 0.519 322 E N 0.167 120.455 120.200 0.146 0.000 2.276 322 E HA 0.110 4.461 4.350 0.000 0.000 0.193 322 E C 1.058 177.725 176.600 0.112 0.000 0.983 322 E CA 0.479 56.951 56.400 0.120 0.000 0.861 322 E CB -0.115 29.647 29.700 0.103 0.000 0.817 322 E HN 0.336 nan 8.360 nan 0.000 0.485 323 G N 2.593 111.453 108.800 0.099 0.000 2.502 323 G HA2 0.400 4.361 3.960 0.000 0.000 0.305 323 G HA3 0.400 4.361 3.960 0.000 0.000 0.305 323 G C -2.604 172.369 174.900 0.122 0.000 1.190 323 G CA -1.132 44.035 45.100 0.111 0.000 0.933 323 G HN -0.117 nan 8.290 nan 0.000 0.503 324 P HA 0.393 nan 4.420 nan 0.000 0.272 324 P C 0.251 177.645 177.300 0.157 0.000 1.230 324 P CA -0.057 63.159 63.100 0.193 0.000 0.788 324 P CB 1.471 33.361 31.700 0.316 0.000 0.949 325 G N 0.109 108.996 108.800 0.145 0.000 3.022 325 G HA2 0.704 4.664 3.960 0.000 0.000 0.284 325 G HA3 0.704 4.664 3.960 0.000 0.000 0.284 325 G C -1.669 173.324 174.900 0.155 0.000 1.375 325 G CA -0.709 44.465 45.100 0.124 0.000 0.902 325 G HN 0.578 nan 8.290 nan 0.000 0.538 326 I N -0.111 120.526 120.570 0.112 0.000 2.892 326 I HA 0.654 4.825 4.170 0.000 0.000 0.306 326 I C -0.250 175.894 176.117 0.045 0.000 1.078 326 I CA -0.917 60.450 61.300 0.112 0.000 1.032 326 I CB 2.380 40.437 38.000 0.095 0.000 1.229 326 I HN 0.667 nan 8.210 nan 0.000 0.435 327 S N 6.894 122.620 115.700 0.044 0.000 2.536 327 S HA 0.778 5.248 4.470 0.000 0.000 0.298 327 S C -0.654 173.903 174.600 -0.071 0.000 1.083 327 S CA -0.707 57.489 58.200 -0.007 0.000 0.995 327 S CB 1.859 65.075 63.200 0.027 0.000 1.058 327 S HN 0.648 nan 8.310 nan 0.000 0.488 328 I N -1.496 118.973 120.570 -0.168 0.000 2.828 328 I HA 0.674 4.844 4.170 0.000 0.000 0.302 328 I C -1.350 174.696 176.117 -0.118 0.000 1.101 328 I CA -1.151 59.942 61.300 -0.346 0.000 1.031 328 I CB 2.195 39.779 38.000 -0.694 0.000 1.231 328 I HN 0.532 nan 8.210 nan 0.000 0.427 329 K N 4.331 124.726 120.400 -0.008 0.000 2.235 329 K HA 0.477 4.797 4.320 0.000 0.000 0.266 329 K C 0.469 177.013 176.600 -0.093 0.000 0.980 329 K CA -0.661 55.613 56.287 -0.022 0.000 0.849 329 K CB 2.410 34.925 32.500 0.024 0.000 1.098 329 K HN 0.661 nan 8.250 nan 0.000 0.445 330 L N 1.332 122.430 121.223 -0.207 0.000 2.191 330 L HA -0.213 4.127 4.340 0.000 0.000 0.212 330 L C 2.280 178.739 176.870 -0.684 0.000 1.103 330 L CA 1.308 55.906 54.840 -0.404 0.000 0.769 330 L CB -0.472 41.310 42.059 -0.461 0.000 0.908 330 L HN 0.699 nan 8.230 nan 0.000 0.438 331 S N 0.103 115.436 115.700 -0.611 0.000 2.469 331 S HA -0.103 4.368 4.470 0.000 0.000 0.238 331 S C 1.989 176.549 174.600 -0.067 0.000 0.998 331 S CA 0.766 58.776 58.200 -0.318 0.000 0.957 331 S CB -0.222 63.021 63.200 0.072 0.000 0.764 331 S HN 0.359 nan 8.310 nan 0.000 0.514 332 A N 0.937 123.713 122.820 -0.073 0.000 2.123 332 A HA 0.455 4.775 4.320 0.000 0.000 0.214 332 A C 1.967 179.655 177.584 0.174 0.000 1.152 332 A CA 0.410 52.434 52.037 -0.021 0.000 0.728 332 A CB -0.366 18.503 19.000 -0.218 0.000 0.814 332 A HN 0.562 nan 8.150 nan 0.000 0.464 333 L N -1.614 119.678 121.223 0.114 0.000 2.640 333 L HA 0.234 4.574 4.340 0.000 0.000 0.230 333 L C 0.371 177.356 176.870 0.191 0.000 1.123 333 L CA 0.011 54.948 54.840 0.162 0.000 0.900 333 L CB 0.087 42.214 42.059 0.114 0.000 1.146 333 L HN 0.507 nan 8.230 nan 0.000 0.484 334 H N -0.187 118.922 119.070 0.065 0.000 2.966 334 H HA 0.349 4.905 4.556 0.000 0.000 0.347 334 H C -2.723 172.692 175.328 0.144 0.000 1.048 334 H CA -1.817 54.295 56.048 0.107 0.000 1.295 334 H CB 2.216 32.063 29.762 0.141 0.000 1.744 334 H HN -0.264 nan 8.280 nan 0.000 0.513 335 P HA 0.046 nan 4.420 nan 0.000 0.263 335 P C -0.452 176.851 177.300 0.005 0.000 1.195 335 P CA 0.149 63.191 63.100 -0.098 0.000 0.762 335 P CB 0.430 32.028 31.700 -0.169 0.000 0.799 336 R N 1.432 121.996 120.500 0.106 0.000 3.525 336 R HA -0.248 4.092 4.340 0.000 0.000 0.276 336 R C 0.804 177.244 176.300 0.233 0.000 1.116 336 R CA 0.453 56.636 56.100 0.138 0.000 0.745 336 R CB -3.055 27.295 30.300 0.083 0.000 1.185 336 R HN 0.600 nan 8.270 nan 0.000 0.454 337 Y N 1.692 122.094 120.300 0.170 0.000 2.139 337 Y HA -0.347 4.204 4.550 0.001 0.000 0.282 337 Y C 2.346 178.317 175.900 0.118 0.000 1.179 337 Y CA 2.504 60.721 58.100 0.195 0.000 1.161 337 Y CB -0.370 38.185 38.460 0.158 0.000 0.970 337 Y HN 0.433 nan 8.280 nan 0.000 0.511 338 S N -0.194 115.553 115.700 0.079 0.000 2.402 338 S HA -0.241 4.229 4.470 0.000 0.000 0.233 338 S C 1.723 176.275 174.600 -0.081 0.000 1.030 338 S CA 1.720 59.895 58.200 -0.042 0.000 1.003 338 S CB -0.423 62.799 63.200 0.037 0.000 0.813 338 S HN 0.620 nan 8.310 nan 0.000 0.477 339 R N 0.812 121.299 120.500 -0.022 0.000 2.565 339 R HA 0.485 4.825 4.340 0.000 0.000 0.347 339 R C 0.214 176.517 176.300 0.004 0.000 1.010 339 R CA 0.240 56.331 56.100 -0.015 0.000 1.126 339 R CB 0.603 30.910 30.300 0.013 0.000 1.331 339 R HN 0.420 nan 8.270 nan 0.000 0.552 340 A N 1.635 124.460 122.820 0.009 0.000 2.498 340 A HA 0.056 4.377 4.320 0.000 0.000 0.239 340 A C 0.234 177.831 177.584 0.021 0.000 1.068 340 A CA 0.178 52.262 52.037 0.078 0.000 0.766 340 A CB 0.362 19.468 19.000 0.177 0.000 1.003 340 A HN 0.106 nan 8.150 nan 0.000 0.497 341 Q N 0.623 120.460 119.800 0.062 0.000 2.260 341 Q HA 0.126 4.466 4.340 0.000 0.000 0.242 341 Q C 0.585 176.630 176.000 0.074 0.000 0.932 341 Q CA -0.322 55.523 55.803 0.070 0.000 0.891 341 Q CB 0.833 29.621 28.738 0.083 0.000 1.222 341 Q HN 0.866 nan 8.270 nan 0.000 0.453 342 Y N 2.591 122.883 120.300 -0.013 0.000 2.114 342 Y HA -0.317 4.233 4.550 0.000 0.000 0.282 342 Y C 1.261 177.154 175.900 -0.011 0.000 1.165 342 Y CA 2.373 60.462 58.100 -0.017 0.000 1.148 342 Y CB 0.308 38.757 38.460 -0.019 0.000 0.972 342 Y HN 0.636 nan 8.280 nan 0.000 0.504 343 D N -0.268 120.246 120.400 0.189 0.000 2.144 343 D HA -0.132 4.508 4.640 0.000 0.000 0.200 343 D C 2.239 178.541 176.300 0.004 0.000 0.978 343 D CA 1.240 55.302 54.000 0.104 0.000 0.833 343 D CB -0.282 40.606 40.800 0.146 0.000 0.961 343 D HN 0.419 nan 8.370 nan 0.000 0.470 344 R N 0.365 120.884 120.500 0.031 0.000 2.090 344 R HA -0.020 4.320 4.340 0.000 0.000 0.228 344 R C 2.363 178.641 176.300 -0.036 0.000 1.110 344 R CA 0.363 56.504 56.100 0.068 0.000 0.973 344 R CB -0.218 30.183 30.300 0.168 0.000 0.869 344 R HN 0.079 nan 8.270 nan 0.000 0.440 345 V N 1.208 120.995 119.914 -0.212 0.000 2.295 345 V HA -0.287 3.833 4.120 0.000 0.000 0.246 345 V C 2.448 178.424 176.094 -0.196 0.000 1.049 345 V CA 1.586 63.666 62.300 -0.368 0.000 1.024 345 V CB -0.314 31.343 31.823 -0.277 0.000 0.648 345 V HN 0.265 nan 8.190 nan 0.000 0.447 346 M N -0.515 118.934 119.600 -0.252 0.000 2.117 346 M HA -0.154 4.326 4.480 0.000 0.000 0.262 346 M C 2.154 178.440 176.300 -0.024 0.000 1.065 346 M CA 1.606 56.789 55.300 -0.194 0.000 1.114 346 M CB -1.259 31.117 32.600 -0.373 0.000 1.361 346 M HN 0.445 nan 8.290 nan 0.000 0.408 347 E N -0.302 119.890 120.200 -0.013 0.000 2.150 347 E HA -0.173 4.177 4.350 0.000 0.000 0.193 347 E C 1.704 178.360 176.600 0.093 0.000 0.985 347 E CA 1.118 57.548 56.400 0.050 0.000 0.814 347 E CB 0.133 29.866 29.700 0.054 0.000 0.752 347 E HN 0.625 nan 8.360 nan 0.000 0.466 348 E N -0.211 120.056 120.200 0.112 0.000 2.354 348 E HA 0.091 4.441 4.350 0.000 0.000 0.203 348 E C 2.004 178.711 176.600 0.178 0.000 0.841 348 E CA -0.143 56.359 56.400 0.171 0.000 1.046 348 E CB 0.135 30.006 29.700 0.285 0.000 1.040 348 E HN 0.056 nan 8.360 nan 0.000 0.504 349 L N 0.618 121.921 121.223 0.133 0.000 2.044 349 L HA -0.097 4.244 4.340 0.000 0.000 0.205 349 L C 2.511 179.431 176.870 0.083 0.000 1.075 349 L CA 1.163 56.068 54.840 0.108 0.000 0.747 349 L CB -0.150 41.903 42.059 -0.009 0.000 0.903 349 L HN 0.155 nan 8.230 nan 0.000 0.435 350 Y N 1.297 121.588 120.300 -0.014 0.000 2.114 350 Y HA -0.216 4.334 4.550 0.000 0.000 0.282 350 Y C -0.667 175.242 175.900 0.014 0.000 1.165 350 Y CA 1.989 60.085 58.100 -0.007 0.000 1.148 350 Y CB -1.405 37.038 38.460 -0.028 0.000 0.972 350 Y HN 0.211 nan 8.280 nan 0.000 0.504 351 P HA -0.160 nan 4.420 nan 0.000 0.216 351 P C 1.140 178.381 177.300 -0.099 0.000 1.150 351 P CA 2.123 65.202 63.100 -0.035 0.000 0.837 351 P CB -0.072 31.665 31.700 0.062 0.000 0.786 352 R N -1.141 119.331 120.500 -0.048 0.000 2.075 352 R HA -0.073 4.268 4.340 0.000 0.000 0.232 352 R C 2.207 178.452 176.300 -0.092 0.000 1.126 352 R CA 0.896 56.977 56.100 -0.031 0.000 0.963 352 R CB -1.198 29.124 30.300 0.036 0.000 0.858 352 R HN 0.165 nan 8.270 nan 0.000 0.435 353 L N 1.733 122.861 121.223 -0.158 0.000 2.017 353 L HA -0.168 4.172 4.340 0.000 0.000 0.208 353 L C 2.244 178.964 176.870 -0.249 0.000 1.073 353 L CA 1.882 56.609 54.840 -0.188 0.000 0.745 353 L CB -0.475 41.472 42.059 -0.185 0.000 0.894 353 L HN -0.011 nan 8.230 nan 0.000 0.432 354 K N -0.952 119.186 120.400 -0.437 0.000 2.032 354 K HA -0.231 4.089 4.320 0.000 0.000 0.209 354 K C 2.346 178.837 176.600 -0.181 0.000 1.048 354 K CA 1.811 57.882 56.287 -0.359 0.000 0.927 354 K CB -0.456 31.762 32.500 -0.470 0.000 0.712 354 K HN 0.468 nan 8.250 nan 0.000 0.441 355 S N 0.715 116.328 115.700 -0.144 0.000 2.359 355 S HA -0.146 4.324 4.470 0.000 0.000 0.224 355 S C 2.017 176.570 174.600 -0.079 0.000 1.035 355 S CA 1.463 59.612 58.200 -0.084 0.000 1.018 355 S CB -0.372 62.800 63.200 -0.047 0.000 0.876 355 S HN 0.398 nan 8.310 nan 0.000 0.448 356 L N 0.608 121.785 121.223 -0.077 0.000 2.083 356 L HA -0.086 4.254 4.340 0.000 0.000 0.209 356 L C 2.811 179.633 176.870 -0.079 0.000 1.083 356 L CA 1.650 56.448 54.840 -0.071 0.000 0.752 356 L CB -1.129 40.880 42.059 -0.083 0.000 0.899 356 L HN 0.378 nan 8.230 nan 0.000 0.433 357 T N 0.121 114.626 114.554 -0.083 0.000 2.812 357 T HA -0.068 4.282 4.350 0.000 0.000 0.264 357 T C 2.015 176.624 174.700 -0.151 0.000 1.042 357 T CA 0.899 62.969 62.100 -0.051 0.000 1.140 357 T CB -0.141 68.726 68.868 -0.001 0.000 0.870 357 T HN 0.178 nan 8.240 nan 0.000 0.445 358 L N 0.430 121.559 121.223 -0.157 0.000 2.046 358 L HA -0.074 4.267 4.340 0.000 0.000 0.208 358 L C 2.467 179.198 176.870 -0.232 0.000 1.077 358 L CA 0.880 55.593 54.840 -0.210 0.000 0.747 358 L CB -0.580 41.395 42.059 -0.142 0.000 0.896 358 L HN 0.230 nan 8.230 nan 0.000 0.432 359 L N 0.241 121.371 121.223 -0.155 0.000 2.046 359 L HA -0.128 4.212 4.340 0.000 0.000 0.208 359 L C 2.669 179.493 176.870 -0.076 0.000 1.077 359 L CA 1.986 56.755 54.840 -0.119 0.000 0.747 359 L CB -0.736 41.263 42.059 -0.101 0.000 0.896 359 L HN 0.140 nan 8.230 nan 0.000 0.432 360 A N -0.427 122.340 122.820 -0.087 0.000 1.908 360 A HA -0.265 4.055 4.320 0.000 0.000 0.218 360 A C 2.557 180.035 177.584 -0.176 0.000 1.181 360 A CA 1.879 53.906 52.037 -0.016 0.000 0.627 360 A CB -0.709 18.334 19.000 0.072 0.000 0.818 360 A HN 0.504 nan 8.150 nan 0.000 0.445 361 R N -0.343 119.770 120.500 -0.644 0.000 2.115 361 R HA -0.151 4.190 4.340 0.000 0.000 0.230 361 R C 2.155 178.078 176.300 -0.629 0.000 1.111 361 R CA 1.688 57.020 56.100 -1.280 0.000 0.976 361 R CB -0.311 29.035 30.300 -1.590 0.000 0.870 361 R HN 0.714 nan 8.270 nan 0.000 0.445 362 Q N -1.018 118.538 119.800 -0.406 0.000 2.226 362 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 362 Q C 0.986 176.787 176.000 -0.332 0.000 0.975 362 Q CA 1.493 57.083 55.803 -0.355 0.000 0.866 362 Q CB 0.061 28.575 28.738 -0.374 0.000 0.915 362 Q HN 0.490 nan 8.270 nan 0.000 0.440 363 Y N -0.245 119.980 120.300 -0.125 0.000 2.457 363 Y HA 0.023 4.574 4.550 0.000 0.000 0.263 363 Y C -0.003 175.904 175.900 0.012 0.000 1.164 363 Y CA -0.126 57.949 58.100 -0.042 0.000 1.274 363 Y CB 0.640 39.083 38.460 -0.029 0.000 1.097 363 Y HN 0.040 nan 8.280 nan 0.000 0.523 364 D N 1.432 121.908 120.400 0.128 0.000 2.697 364 D HA -0.212 4.428 4.640 0.000 0.000 0.238 364 D C -0.546 175.944 176.300 0.317 0.000 1.152 364 D CA 0.758 54.928 54.000 0.283 0.000 0.666 364 D CB -1.172 39.764 40.800 0.225 0.000 1.037 364 D HN 0.556 nan 8.370 nan 0.000 0.423 365 I N -2.996 117.780 120.570 0.342 0.000 2.603 365 I HA 0.762 4.932 4.170 0.000 0.000 0.300 365 I C 1.037 177.326 176.117 0.287 0.000 1.017 365 I CA -0.874 60.572 61.300 0.242 0.000 1.098 365 I CB 2.017 40.113 38.000 0.159 0.000 1.279 365 I HN 0.023 nan 8.210 nan 0.000 0.437 366 G N 4.790 113.653 108.800 0.107 0.000 2.432 366 G HA2 0.384 4.345 3.960 0.000 0.000 0.239 366 G HA3 0.384 4.345 3.960 0.000 0.000 0.239 366 G C -0.763 174.197 174.900 0.099 0.000 1.291 366 G CA -0.387 44.728 45.100 0.025 0.000 0.863 366 G HN 0.785 nan 8.290 nan 0.000 0.560 367 I N 1.759 122.392 120.570 0.104 0.000 2.439 367 I HA 0.340 4.511 4.170 0.000 0.000 0.283 367 I C -0.834 175.306 176.117 0.039 0.000 1.023 367 I CA -1.003 60.345 61.300 0.079 0.000 1.100 367 I CB 1.486 39.554 38.000 0.114 0.000 1.238 367 I HN 0.482 nan 8.210 nan 0.000 0.445 368 N N 7.081 125.787 118.700 0.011 0.000 2.400 368 N HA 0.491 5.231 4.740 0.000 0.000 0.288 368 N C -1.210 174.292 175.510 -0.014 0.000 1.024 368 N CA -0.516 52.540 53.050 0.010 0.000 0.894 368 N CB 1.395 39.883 38.487 0.001 0.000 1.173 368 N HN 0.535 nan 8.380 nan 0.000 0.487 369 I N 2.513 123.091 120.570 0.013 0.000 2.301 369 I HA 0.148 4.318 4.170 0.000 0.000 0.292 369 I C -0.088 175.938 176.117 -0.151 0.000 1.046 369 I CA -0.650 60.633 61.300 -0.029 0.000 1.282 369 I CB 0.493 38.565 38.000 0.120 0.000 1.409 369 I HN 0.471 nan 8.210 nan 0.000 0.484 370 D N 5.299 125.638 120.400 -0.103 0.000 2.400 370 D HA 0.262 4.902 4.640 0.000 0.000 0.238 370 D C 0.141 176.353 176.300 -0.147 0.000 1.157 370 D CA 0.202 54.149 54.000 -0.088 0.000 0.889 370 D CB 1.070 41.876 40.800 0.010 0.000 1.199 370 D HN 0.565 nan 8.370 nan 0.000 0.436 371 A N 2.037 124.778 122.820 -0.132 0.000 2.301 371 A HA 0.453 4.773 4.320 0.000 0.000 0.312 371 A C 0.392 177.964 177.584 -0.020 0.000 1.182 371 A CA -0.459 51.505 52.037 -0.122 0.000 0.826 371 A CB 0.905 19.820 19.000 -0.142 0.000 1.134 371 A HN 0.553 nan 8.150 nan 0.000 0.501 372 E N 0.357 120.493 120.200 -0.107 0.000 3.846 372 E HA 0.205 4.555 4.350 0.000 0.000 0.262 372 E C -0.334 175.910 176.600 -0.593 0.000 0.786 372 E CA -0.800 55.365 56.400 -0.392 0.000 1.620 372 E CB 0.000 29.617 29.700 -0.138 0.000 1.928 372 E HN 0.846 nan 8.360 nan 0.000 0.410 373 E N 1.384 121.298 120.200 -0.477 0.000 2.404 373 E HA -0.014 4.336 4.350 0.000 0.000 0.261 373 E C 0.655 177.189 176.600 -0.109 0.000 1.074 373 E CA 0.353 56.575 56.400 -0.296 0.000 0.917 373 E CB 1.195 30.797 29.700 -0.163 0.000 0.965 373 E HN 0.448 nan 8.360 nan 0.000 0.433 374 S N 1.361 117.038 115.700 -0.038 0.000 2.423 374 S HA -0.193 4.277 4.470 0.000 0.000 0.231 374 S C 1.023 175.639 174.600 0.026 0.000 1.014 374 S CA 1.122 59.330 58.200 0.014 0.000 0.965 374 S CB -0.307 62.926 63.200 0.056 0.000 0.785 374 S HN 0.672 nan 8.310 nan 0.000 0.495 375 D N 0.700 121.123 120.400 0.038 0.000 2.349 375 D HA -0.012 4.629 4.640 0.000 0.000 0.224 375 D C 1.438 177.726 176.300 -0.020 0.000 1.029 375 D CA 0.071 54.108 54.000 0.060 0.000 0.879 375 D CB -0.246 40.585 40.800 0.051 0.000 0.906 375 D HN 0.297 nan 8.370 nan 0.000 0.528 376 R N -0.235 120.239 120.500 -0.044 0.000 2.397 376 R HA 0.182 4.522 4.340 0.000 0.000 0.241 376 R C 1.638 177.955 176.300 0.028 0.000 0.914 376 R CA -0.313 55.752 56.100 -0.059 0.000 1.071 376 R CB -0.273 29.988 30.300 -0.065 0.000 1.116 376 R HN 0.180 nan 8.270 nan 0.000 0.524 377 L N 2.033 123.261 121.223 0.008 0.000 1.971 377 L HA -0.179 4.162 4.340 0.000 0.000 0.215 377 L C 2.016 178.913 176.870 0.046 0.000 1.072 377 L CA 2.021 56.881 54.840 0.033 0.000 0.758 377 L CB -0.330 41.703 42.059 -0.043 0.000 0.889 377 L HN 0.013 nan 8.230 nan 0.000 0.433 378 E N -0.386 119.802 120.200 -0.019 0.000 2.049 378 E HA -0.277 4.074 4.350 0.000 0.000 0.198 378 E C 2.255 178.878 176.600 0.038 0.000 1.007 378 E CA 1.937 58.324 56.400 -0.021 0.000 0.809 378 E CB -0.606 29.077 29.700 -0.028 0.000 0.749 378 E HN 0.575 nan 8.360 nan 0.000 0.450 379 I N 1.300 121.908 120.570 0.063 0.000 2.394 379 I HA -0.228 3.942 4.170 0.000 0.000 0.251 379 I C 2.404 178.612 176.117 0.151 0.000 1.136 379 I CA 1.484 62.845 61.300 0.102 0.000 1.425 379 I CB -0.352 37.684 38.000 0.059 0.000 1.079 379 I HN 0.037 nan 8.210 nan 0.000 0.425 380 S N 0.218 116.038 115.700 0.201 0.000 2.382 380 S HA -0.164 4.306 4.470 0.000 0.000 0.228 380 S C 2.043 176.806 174.600 0.272 0.000 1.027 380 S CA 1.326 59.706 58.200 0.300 0.000 0.991 380 S CB -1.022 62.401 63.200 0.370 0.000 0.823 380 S HN 0.519 nan 8.310 nan 0.000 0.469 381 L N 1.312 122.633 121.223 0.163 0.000 2.056 381 L HA -0.085 4.256 4.340 0.000 0.000 0.207 381 L C 2.452 179.343 176.870 0.035 0.000 1.078 381 L CA 1.524 56.372 54.840 0.014 0.000 0.749 381 L CB -0.744 41.219 42.059 -0.160 0.000 0.901 381 L HN 0.266 nan 8.230 nan 0.000 0.433 382 D N 0.304 120.741 120.400 0.062 0.000 2.117 382 D HA -0.159 4.481 4.640 0.000 0.000 0.197 382 D C 2.371 178.727 176.300 0.093 0.000 0.987 382 D CA 1.226 55.283 54.000 0.096 0.000 0.829 382 D CB -0.161 40.742 40.800 0.172 0.000 0.961 382 D HN 0.270 nan 8.370 nan 0.000 0.460 383 L N 0.077 121.373 121.223 0.121 0.000 2.093 383 L HA -0.118 4.222 4.340 0.000 0.000 0.208 383 L C 2.357 179.365 176.870 0.230 0.000 1.085 383 L CA 0.358 55.315 54.840 0.195 0.000 0.755 383 L CB -0.219 41.975 42.059 0.225 0.000 0.904 383 L HN 0.054 nan 8.230 nan 0.000 0.435 384 L N 0.098 121.410 121.223 0.147 0.000 2.044 384 L HA -0.175 4.165 4.340 0.000 0.000 0.205 384 L C 2.451 179.383 176.870 0.105 0.000 1.075 384 L CA 1.709 56.590 54.840 0.069 0.000 0.747 384 L CB -0.428 41.510 42.059 -0.202 0.000 0.903 384 L HN 0.204 nan 8.230 nan 0.000 0.435 385 E N 0.340 120.633 120.200 0.155 0.000 2.048 385 E HA -0.344 4.007 4.350 0.000 0.000 0.202 385 E C 2.311 179.087 176.600 0.293 0.000 1.021 385 E CA 2.362 58.911 56.400 0.250 0.000 0.825 385 E CB -0.348 29.505 29.700 0.254 0.000 0.756 385 E HN 0.495 nan 8.360 nan 0.000 0.454 386 K N -0.571 119.944 120.400 0.192 0.000 2.057 386 K HA -0.154 4.166 4.320 0.000 0.000 0.207 386 K C 2.236 179.018 176.600 0.303 0.000 1.049 386 K CA 1.282 57.648 56.287 0.131 0.000 0.931 386 K CB -0.308 32.040 32.500 -0.252 0.000 0.714 386 K HN 0.233 nan 8.250 nan 0.000 0.440 387 L N 1.089 122.548 121.223 0.394 0.000 2.042 387 L HA -0.202 4.138 4.340 0.000 0.000 0.210 387 L C 1.984 178.963 176.870 0.183 0.000 1.076 387 L CA 1.673 56.718 54.840 0.341 0.000 0.749 387 L CB -0.532 41.667 42.059 0.234 0.000 0.893 387 L HN 0.292 nan 8.230 nan 0.000 0.432 388 C N -1.000 118.356 119.300 0.093 0.000 2.449 388 C HA -0.032 4.428 4.460 0.000 0.000 0.283 388 C C 2.025 176.857 174.990 -0.263 0.000 1.453 388 C CA 0.287 59.240 59.018 -0.109 0.000 1.779 388 C CB -1.628 25.967 27.740 -0.241 0.000 1.779 388 C HN 0.508 nan 8.230 nan 0.000 0.546 389 F N 0.105 120.097 119.950 0.069 0.000 2.653 389 F HA 0.193 4.720 4.527 0.000 0.000 0.304 389 F C 0.980 176.820 175.800 0.067 0.000 1.092 389 F CA 0.007 58.040 58.000 0.054 0.000 1.279 389 F CB -0.010 39.012 39.000 0.037 0.000 1.044 389 F HN 0.058 nan 8.300 nan 0.000 0.564 390 E N 1.822 122.144 120.200 0.203 0.000 2.366 390 E HA 0.004 4.354 4.350 0.000 0.000 0.266 390 E C -1.612 175.053 176.600 0.108 0.000 1.015 390 E CA -1.279 55.217 56.400 0.159 0.000 0.906 390 E CB 0.657 30.444 29.700 0.145 0.000 0.979 390 E HN 0.113 nan 8.360 nan 0.000 0.443 391 P HA -0.155 nan 4.420 nan 0.000 0.216 391 P C 0.757 178.082 177.300 0.042 0.000 1.150 391 P CA 1.223 64.363 63.100 0.067 0.000 0.837 391 P CB 0.323 32.057 31.700 0.057 0.000 0.786 392 E N -1.023 119.194 120.200 0.028 0.000 2.338 392 E HA -0.044 4.306 4.350 0.000 0.000 0.197 392 E C 1.377 177.967 176.600 -0.017 0.000 1.007 392 E CA 0.531 56.926 56.400 -0.008 0.000 0.849 392 E CB -0.350 29.333 29.700 -0.029 0.000 0.774 392 E HN 0.292 nan 8.360 nan 0.000 0.506 393 L N 0.204 121.445 121.223 0.030 0.000 2.640 393 L HA 0.261 4.601 4.340 0.000 0.000 0.230 393 L C 0.736 177.676 176.870 0.117 0.000 1.123 393 L CA -0.662 54.227 54.840 0.082 0.000 0.900 393 L CB 0.202 42.332 42.059 0.119 0.000 1.146 393 L HN -0.037 nan 8.230 nan 0.000 0.484 394 A N 0.211 123.073 122.820 0.069 0.000 2.511 394 A HA 0.392 4.712 4.320 0.000 0.000 0.242 394 A C 1.496 179.128 177.584 0.081 0.000 1.069 394 A CA 0.775 52.844 52.037 0.055 0.000 0.763 394 A CB -0.121 18.904 19.000 0.042 0.000 1.001 394 A HN 0.577 nan 8.150 nan 0.000 0.498 395 G N 0.155 108.993 108.800 0.063 0.000 2.184 395 G HA2 -0.286 3.675 3.960 0.000 0.000 0.264 395 G HA3 -0.286 3.675 3.960 0.000 0.000 0.264 395 G C -0.007 174.974 174.900 0.133 0.000 0.975 395 G CA 0.770 45.913 45.100 0.071 0.000 0.642 395 G HN 1.436 nan 8.290 nan 0.000 0.536 396 W N 1.397 122.668 121.300 -0.048 0.000 2.433 396 W HA 0.732 5.392 4.660 0.000 0.000 0.315 396 W C 0.243 176.723 176.519 -0.065 0.000 1.087 396 W CA -1.085 56.228 57.345 -0.053 0.000 1.205 396 W CB 0.813 30.242 29.460 -0.051 0.000 1.288 396 W HN -0.041 nan 8.180 nan 0.000 0.504 397 N N 3.471 121.748 118.700 -0.705 0.000 2.275 397 N HA 0.102 4.842 4.740 0.000 0.000 0.236 397 N C 0.993 175.932 175.510 -0.951 0.000 1.154 397 N CA 0.171 52.850 53.050 -0.617 0.000 0.866 397 N CB 1.128 39.397 38.487 -0.363 0.000 1.093 397 N HN 0.730 nan 8.380 nan 0.000 0.515 398 G N 0.181 107.870 108.800 -1.852 0.000 3.042 398 G HA2 0.146 4.106 3.960 0.000 0.000 0.212 398 G HA3 0.146 4.106 3.960 0.000 0.000 0.212 398 G C 0.577 175.000 174.900 -0.795 0.000 1.166 398 G CA -0.167 43.899 45.100 -1.724 0.000 0.767 398 G HN 0.194 nan 8.290 nan 0.000 0.546 399 I N 1.866 122.149 120.570 -0.479 0.000 2.471 399 I HA 0.370 4.540 4.170 0.000 0.000 0.286 399 I C 0.875 176.948 176.117 -0.073 0.000 1.079 399 I CA -0.180 61.061 61.300 -0.099 0.000 1.398 399 I CB 1.113 39.109 38.000 -0.006 0.000 1.403 399 I HN 0.024 nan 8.210 nan 0.000 0.530 400 G N 5.763 114.571 108.800 0.012 0.000 2.481 400 G HA2 0.711 4.672 3.960 0.000 0.000 0.315 400 G HA3 0.711 4.672 3.960 0.000 0.000 0.315 400 G C -1.708 173.300 174.900 0.180 0.000 1.231 400 G CA -0.338 44.794 45.100 0.054 0.000 0.968 400 G HN 0.399 nan 8.290 nan 0.000 0.482 401 F N 1.434 121.370 119.950 -0.023 0.000 2.604 401 F HA 0.482 5.009 4.527 0.000 0.000 0.316 401 F C -0.612 175.185 175.800 -0.006 0.000 1.136 401 F CA -0.723 57.276 58.000 -0.002 0.000 0.989 401 F CB 2.001 41.009 39.000 0.013 0.000 1.258 401 F HN 0.426 nan 8.300 nan 0.000 0.451 402 V N 6.694 126.353 119.914 -0.424 0.000 2.546 402 V HA 0.452 4.572 4.120 0.000 0.000 0.284 402 V C 0.179 176.098 176.094 -0.291 0.000 1.050 402 V CA -0.416 61.720 62.300 -0.274 0.000 0.981 402 V CB 1.286 32.979 31.823 -0.216 0.000 0.990 402 V HN 0.607 nan 8.190 nan 0.000 0.474 403 I N 2.080 122.604 120.570 -0.076 0.000 2.608 403 I HA 0.649 4.819 4.170 0.000 0.000 0.295 403 I C -0.754 175.372 176.117 0.015 0.000 1.049 403 I CA -0.943 60.363 61.300 0.010 0.000 1.063 403 I CB 2.115 40.176 38.000 0.102 0.000 1.248 403 I HN 0.478 nan 8.210 nan 0.000 0.424 404 Q N 3.796 123.635 119.800 0.065 0.000 2.368 404 Q HA 0.492 4.832 4.340 0.000 0.000 0.256 404 Q C 0.806 176.919 176.000 0.188 0.000 0.980 404 Q CA -0.494 55.352 55.803 0.072 0.000 0.887 404 Q CB 2.118 30.928 28.738 0.121 0.000 1.221 404 Q HN 0.890 nan 8.270 nan 0.000 0.458 405 A N 2.975 125.896 122.820 0.170 0.000 2.125 405 A HA -0.198 4.123 4.320 0.000 0.000 0.219 405 A C 1.300 179.167 177.584 0.471 0.000 1.156 405 A CA 1.146 53.346 52.037 0.272 0.000 0.671 405 A CB -0.453 18.712 19.000 0.275 0.000 0.794 405 A HN 0.850 nan 8.150 nan 0.000 0.459 406 Y N -0.107 120.387 120.300 0.324 0.000 2.578 406 Y HA 0.232 4.782 4.550 0.001 0.000 0.297 406 Y C 0.451 176.562 175.900 0.353 0.000 1.176 406 Y CA -0.631 57.727 58.100 0.431 0.000 1.315 406 Y CB -1.329 37.360 38.460 0.381 0.000 1.031 406 Y HN 0.388 nan 8.280 nan 0.000 0.524 407 Q N 1.413 121.542 119.800 0.550 0.000 2.243 407 Q HA 0.162 4.502 4.340 0.000 0.000 0.252 407 Q C 0.543 176.607 176.000 0.108 0.000 0.909 407 Q CA -0.388 55.538 55.803 0.204 0.000 0.922 407 Q CB 1.647 30.505 28.738 0.199 0.000 1.215 407 Q HN 0.293 nan 8.270 nan 0.000 0.427 408 K N 1.312 121.639 120.400 -0.121 0.000 2.280 408 K HA -0.134 4.186 4.320 0.000 0.000 0.202 408 K C 1.520 178.154 176.600 0.058 0.000 1.047 408 K CA 1.089 57.322 56.287 -0.090 0.000 0.942 408 K CB 0.152 32.558 32.500 -0.156 0.000 0.739 408 K HN 0.373 nan 8.250 nan 0.000 0.457 409 R N -0.138 120.386 120.500 0.040 0.000 2.276 409 R HA -0.009 4.331 4.340 0.000 0.000 0.203 409 R C 2.249 178.595 176.300 0.077 0.000 1.017 409 R CA 0.252 56.371 56.100 0.031 0.000 1.010 409 R CB -0.376 29.891 30.300 -0.056 0.000 0.900 409 R HN 0.256 nan 8.270 nan 0.000 0.469 410 C N 1.538 120.913 119.300 0.125 0.000 2.393 410 C HA -0.067 4.394 4.460 0.000 0.000 0.276 410 C C -0.560 174.497 174.990 0.112 0.000 1.215 410 C CA 0.914 60.013 59.018 0.135 0.000 1.743 410 C CB -0.814 27.029 27.740 0.172 0.000 2.044 410 C HN 0.272 nan 8.230 nan 0.000 0.464 411 P HA -0.080 nan 4.420 nan 0.000 0.216 411 P C 1.608 178.957 177.300 0.081 0.000 1.150 411 P CA 1.284 64.437 63.100 0.088 0.000 0.837 411 P CB -0.253 31.502 31.700 0.091 0.000 0.786 412 L N -1.325 119.947 121.223 0.082 0.000 2.156 412 L HA -0.064 4.277 4.340 0.000 0.000 0.208 412 L C 2.353 179.285 176.870 0.103 0.000 1.095 412 L CA 1.459 56.345 54.840 0.077 0.000 0.770 412 L CB -1.714 40.379 42.059 0.056 0.000 0.914 412 L HN -0.072 nan 8.230 nan 0.000 0.439 413 V N 0.081 120.061 119.914 0.111 0.000 2.427 413 V HA -0.245 3.875 4.120 0.000 0.000 0.248 413 V C 2.526 178.727 176.094 0.179 0.000 1.051 413 V CA 1.277 63.675 62.300 0.164 0.000 1.048 413 V CB -0.224 31.698 31.823 0.165 0.000 0.666 413 V HN 0.264 nan 8.190 nan 0.000 0.456 414 I N 0.161 120.801 120.570 0.117 0.000 2.226 414 I HA -0.243 3.927 4.170 0.000 0.000 0.245 414 I C 2.316 178.465 176.117 0.054 0.000 1.100 414 I CA 1.612 62.955 61.300 0.073 0.000 1.374 414 I CB -0.516 37.513 38.000 0.049 0.000 1.057 414 I HN 0.312 nan 8.210 nan 0.000 0.413 415 D N 0.158 120.601 120.400 0.072 0.000 2.104 415 D HA -0.256 4.384 4.640 0.000 0.000 0.194 415 D C 1.927 178.265 176.300 0.064 0.000 0.994 415 D CA 1.471 55.507 54.000 0.059 0.000 0.830 415 D CB -0.489 40.352 40.800 0.069 0.000 0.959 415 D HN 0.392 nan 8.370 nan 0.000 0.452 416 Y N 1.452 121.755 120.300 0.005 0.000 2.165 416 Y HA -0.166 4.384 4.550 0.001 0.000 0.286 416 Y C 2.163 178.051 175.900 -0.019 0.000 1.155 416 Y CA 1.329 59.426 58.100 -0.004 0.000 1.164 416 Y CB -0.505 37.950 38.460 -0.008 0.000 0.978 416 Y HN -0.076 nan 8.280 nan 0.000 0.513 417 L N -0.359 120.722 121.223 -0.237 0.000 2.093 417 L HA -0.216 4.124 4.340 0.000 0.000 0.208 417 L C 2.483 179.197 176.870 -0.260 0.000 1.085 417 L CA 1.380 56.021 54.840 -0.332 0.000 0.755 417 L CB -0.550 41.445 42.059 -0.106 0.000 0.904 417 L HN 0.277 nan 8.230 nan 0.000 0.435 418 I N 0.052 120.534 120.570 -0.147 0.000 2.226 418 I HA -0.321 3.849 4.170 0.000 0.000 0.245 418 I C 2.185 178.227 176.117 -0.125 0.000 1.100 418 I CA 1.684 62.922 61.300 -0.103 0.000 1.374 418 I CB -0.309 37.662 38.000 -0.049 0.000 1.057 418 I HN 0.311 nan 8.210 nan 0.000 0.413 419 D N 0.816 121.127 120.400 -0.148 0.000 2.117 419 D HA -0.212 4.429 4.640 0.000 0.000 0.198 419 D C 2.062 178.255 176.300 -0.178 0.000 0.982 419 D CA 0.934 54.858 54.000 -0.127 0.000 0.828 419 D CB 0.070 40.822 40.800 -0.080 0.000 0.967 419 D HN 0.133 nan 8.370 nan 0.000 0.464 420 L N 0.495 121.499 121.223 -0.365 0.000 2.017 420 L HA -0.002 4.338 4.340 0.000 0.000 0.208 420 L C 2.154 178.879 176.870 -0.242 0.000 1.073 420 L CA 2.156 56.789 54.840 -0.345 0.000 0.745 420 L CB -1.037 40.661 42.059 -0.600 0.000 0.894 420 L HN 0.094 nan 8.230 nan 0.000 0.432 421 A N -1.570 121.117 122.820 -0.222 0.000 1.902 421 A HA -0.203 4.117 4.320 0.000 0.000 0.217 421 A C 2.247 179.754 177.584 -0.128 0.000 1.181 421 A CA 2.314 54.250 52.037 -0.168 0.000 0.623 421 A CB -1.224 17.699 19.000 -0.128 0.000 0.818 421 A HN 0.535 nan 8.150 nan 0.000 0.443 422 T N -0.290 114.206 114.554 -0.098 0.000 2.674 422 T HA -0.147 4.203 4.350 0.000 0.000 0.265 422 T C 2.091 176.768 174.700 -0.038 0.000 1.039 422 T CA 1.597 63.663 62.100 -0.057 0.000 1.150 422 T CB -0.248 68.597 68.868 -0.038 0.000 0.864 422 T HN 0.516 nan 8.240 nan 0.000 0.427 423 R N 1.338 121.829 120.500 -0.015 0.000 2.081 423 R HA -0.045 4.295 4.340 0.000 0.000 0.235 423 R C 2.723 179.037 176.300 0.024 0.000 1.131 423 R CA 1.665 57.817 56.100 0.088 0.000 0.960 423 R CB -0.324 30.116 30.300 0.233 0.000 0.856 423 R HN 0.467 nan 8.270 nan 0.000 0.436 424 S N -0.356 115.185 115.700 -0.266 0.000 2.593 424 S HA 0.124 4.594 4.470 0.000 0.000 0.217 424 S C 0.855 175.289 174.600 -0.276 0.000 0.966 424 S CA 0.402 58.243 58.200 -0.598 0.000 0.914 424 S CB 0.291 62.895 63.200 -0.994 0.000 0.776 424 S HN 0.448 nan 8.310 nan 0.000 0.523 425 R N 0.648 121.058 120.500 -0.149 0.000 3.201 425 R HA -0.155 4.185 4.340 0.000 0.000 0.254 425 R C 0.007 176.251 176.300 -0.092 0.000 0.978 425 R CA 1.449 57.496 56.100 -0.087 0.000 0.661 425 R CB -3.128 27.144 30.300 -0.048 0.000 1.170 425 R HN 1.110 nan 8.270 nan 0.000 0.430 426 R N -1.676 118.759 120.500 -0.108 0.000 2.747 426 R HA 0.727 5.068 4.340 0.000 0.000 0.272 426 R C -0.697 175.548 176.300 -0.091 0.000 1.032 426 R CA -0.935 55.106 56.100 -0.099 0.000 0.896 426 R CB 1.272 31.500 30.300 -0.120 0.000 1.253 426 R HN 0.320 nan 8.270 nan 0.000 0.461 427 R N 1.639 122.089 120.500 -0.084 0.000 2.255 427 R HA 0.395 4.735 4.340 0.000 0.000 0.326 427 R C -0.870 175.383 176.300 -0.079 0.000 0.986 427 R CA -0.557 55.511 56.100 -0.053 0.000 0.847 427 R CB 0.842 31.138 30.300 -0.007 0.000 1.111 427 R HN 0.562 nan 8.270 nan 0.000 0.452 428 L N 5.165 126.353 121.223 -0.059 0.000 2.334 428 L HA 0.382 4.722 4.340 0.000 0.000 0.277 428 L C 0.269 177.139 176.870 -0.000 0.000 1.075 428 L CA -0.466 54.337 54.840 -0.062 0.000 0.804 428 L CB 1.563 43.581 42.059 -0.069 0.000 1.174 428 L HN 0.511 nan 8.230 nan 0.000 0.438 429 M N 4.764 124.362 119.600 -0.004 0.000 2.108 429 M HA 0.349 4.829 4.480 0.000 0.000 0.347 429 M C -0.894 175.422 176.300 0.027 0.000 1.326 429 M CA -0.100 55.242 55.300 0.070 0.000 1.126 429 M CB 0.627 33.255 32.600 0.047 0.000 1.606 429 M HN 0.276 nan 8.290 nan 0.000 0.462 430 I N 4.351 124.901 120.570 -0.034 0.000 2.355 430 I HA 0.361 4.531 4.170 0.000 0.000 0.288 430 I C 0.086 176.110 176.117 -0.156 0.000 0.999 430 I CA -0.465 60.806 61.300 -0.049 0.000 1.163 430 I CB 1.295 39.265 38.000 -0.049 0.000 1.316 430 I HN 0.666 nan 8.210 nan 0.000 0.454 431 R N 5.143 125.582 120.500 -0.102 0.000 2.210 431 R HA 0.366 4.706 4.340 0.000 0.000 0.338 431 R C -0.534 175.694 176.300 -0.121 0.000 1.062 431 R CA -0.821 55.200 56.100 -0.132 0.000 0.902 431 R CB 1.108 31.364 30.300 -0.074 0.000 1.050 431 R HN 0.330 nan 8.270 nan 0.000 0.461 432 L N 5.595 126.713 121.223 -0.174 0.000 2.260 432 L HA 0.290 4.630 4.340 0.000 0.000 0.289 432 L C -0.361 176.534 176.870 0.042 0.000 1.057 432 L CA -0.351 54.404 54.840 -0.143 0.000 0.811 432 L CB 1.312 43.187 42.059 -0.308 0.000 1.184 432 L HN 0.436 nan 8.230 nan 0.000 0.429 433 V N 2.377 122.336 119.914 0.076 0.000 3.046 433 V HA 0.603 4.723 4.120 0.000 0.000 0.316 433 V C 0.887 177.091 176.094 0.182 0.000 1.104 433 V CA -0.680 61.717 62.300 0.161 0.000 1.006 433 V CB 1.765 33.601 31.823 0.021 0.000 1.058 433 V HN 0.775 nan 8.190 nan 0.000 0.440 434 K N 1.774 122.254 120.400 0.134 0.000 1.991 434 K HA 0.484 4.804 4.320 0.000 0.000 0.207 434 K C 0.794 177.163 176.600 -0.386 0.000 1.045 434 K CA 1.312 57.618 56.287 0.031 0.000 0.937 434 K CB -0.177 32.324 32.500 0.001 0.000 0.720 434 K HN 1.386 nan 8.250 nan 0.000 0.438 435 G N -1.154 107.352 108.800 -0.490 0.000 2.301 435 G HA2 0.273 4.233 3.960 0.000 0.000 0.290 435 G HA3 0.273 4.233 3.960 0.000 0.000 0.290 435 G C -0.519 174.163 174.900 -0.364 0.000 1.669 435 G CA -0.350 44.193 45.100 -0.928 0.000 0.945 435 G HN 0.135 nan 8.290 nan 0.000 0.710 436 A N 0.524 123.307 122.820 -0.062 0.000 2.303 436 A HA 0.533 4.853 4.320 0.000 0.000 0.217 436 A C 0.747 178.240 177.584 -0.153 0.000 1.205 436 A CA 0.614 52.555 52.037 -0.161 0.000 0.875 436 A CB 0.022 18.773 19.000 -0.416 0.000 0.910 436 A HN 0.893 nan 8.150 nan 0.000 0.501 437 Y N -3.195 117.311 120.300 0.344 0.000 2.720 437 Y HA 0.154 4.704 4.550 0.000 0.000 0.268 437 Y C 1.217 177.306 175.900 0.316 0.000 1.142 437 Y CA -1.260 57.013 58.100 0.288 0.000 1.193 437 Y CB -0.229 38.369 38.460 0.230 0.000 1.176 437 Y HN 0.536 nan 8.280 nan 0.000 0.542 438 W N 1.854 123.389 121.300 0.393 0.000 2.335 438 W HA -0.222 4.438 4.660 0.000 0.000 0.311 438 W C 1.147 177.711 176.519 0.074 0.000 1.213 438 W CA 2.522 59.991 57.345 0.206 0.000 1.274 438 W CB -0.135 29.474 29.460 0.248 0.000 1.148 438 W HN 0.198 nan 8.180 nan 0.000 0.498 439 D N -0.605 119.914 120.400 0.198 0.000 2.104 439 D HA -0.230 4.410 4.640 0.000 0.000 0.194 439 D C 2.314 178.515 176.300 -0.164 0.000 0.994 439 D CA 2.481 56.443 54.000 -0.062 0.000 0.830 439 D CB -0.533 40.337 40.800 0.117 0.000 0.959 439 D HN 0.053 nan 8.370 nan 0.000 0.452 440 S N 0.243 115.930 115.700 -0.022 0.000 2.383 440 S HA -0.127 4.344 4.470 0.000 0.000 0.227 440 S C 1.729 176.287 174.600 -0.069 0.000 1.026 440 S CA 0.688 58.884 58.200 -0.007 0.000 0.981 440 S CB -0.157 63.106 63.200 0.105 0.000 0.818 440 S HN 0.242 nan 8.310 nan 0.000 0.472 441 E N 1.222 121.354 120.200 -0.114 0.000 2.051 441 E HA -0.091 4.259 4.350 0.000 0.000 0.192 441 E C 2.088 178.554 176.600 -0.225 0.000 0.991 441 E CA 0.790 57.090 56.400 -0.168 0.000 0.799 441 E CB -0.334 29.218 29.700 -0.246 0.000 0.748 441 E HN 0.386 nan 8.360 nan 0.000 0.449 442 I N 1.271 121.564 120.570 -0.463 0.000 2.179 442 I HA -0.245 3.926 4.170 0.000 0.000 0.242 442 I C 2.450 178.481 176.117 -0.143 0.000 1.088 442 I CA 1.189 62.231 61.300 -0.430 0.000 1.357 442 I CB -1.031 36.458 38.000 -0.852 0.000 1.051 442 I HN 0.065 nan 8.210 nan 0.000 0.409 443 K N 1.418 121.717 120.400 -0.168 0.000 2.057 443 K HA -0.229 4.091 4.320 0.000 0.000 0.207 443 K C 2.261 178.837 176.600 -0.040 0.000 1.049 443 K CA 1.536 57.777 56.287 -0.078 0.000 0.931 443 K CB -0.239 32.219 32.500 -0.070 0.000 0.714 443 K HN 0.009 nan 8.250 nan 0.000 0.440 444 R N 0.279 120.753 120.500 -0.044 0.000 2.083 444 R HA -0.043 4.297 4.340 0.000 0.000 0.237 444 R C 2.029 178.307 176.300 -0.038 0.000 1.137 444 R CA 1.929 58.010 56.100 -0.032 0.000 0.951 444 R CB -0.927 29.355 30.300 -0.028 0.000 0.851 444 R HN 0.291 nan 8.270 nan 0.000 0.434 445 A N 0.094 122.901 122.820 -0.021 0.000 1.930 445 A HA -0.160 4.160 4.320 0.000 0.000 0.217 445 A C 2.051 179.572 177.584 -0.105 0.000 1.175 445 A CA 1.506 53.500 52.037 -0.071 0.000 0.627 445 A CB -0.430 18.550 19.000 -0.033 0.000 0.815 445 A HN 0.560 nan 8.150 nan 0.000 0.443 446 Q N -1.298 118.495 119.800 -0.012 0.000 2.230 446 Q HA 0.033 4.373 4.340 0.000 0.000 0.202 446 Q C 1.954 177.930 176.000 -0.040 0.000 0.963 446 Q CA 1.204 56.996 55.803 -0.017 0.000 0.866 446 Q CB -0.134 28.631 28.738 0.046 0.000 0.931 446 Q HN 0.714 nan 8.270 nan 0.000 0.452 447 M N 0.006 119.583 119.600 -0.038 0.000 2.388 447 M HA -0.078 4.402 4.480 0.000 0.000 0.265 447 M C 0.515 176.785 176.300 -0.050 0.000 1.088 447 M CA 0.819 56.097 55.300 -0.037 0.000 1.134 447 M CB 0.406 32.989 32.600 -0.027 0.000 1.384 447 M HN -0.003 nan 8.290 nan 0.000 0.447 448 D N 0.137 120.495 120.400 -0.069 0.000 2.349 448 D HA 0.092 4.732 4.640 0.000 0.000 0.215 448 D C 1.073 177.314 176.300 -0.098 0.000 1.016 448 D CA 0.537 54.489 54.000 -0.081 0.000 0.870 448 D CB -0.210 40.534 40.800 -0.094 0.000 0.917 448 D HN 0.406 nan 8.370 nan 0.000 0.524 449 G N 1.490 110.226 108.800 -0.106 0.000 2.395 449 G HA2 -0.301 3.659 3.960 0.000 0.000 0.300 449 G HA3 -0.301 3.659 3.960 0.000 0.000 0.300 449 G C 0.288 175.105 174.900 -0.138 0.000 0.998 449 G CA 0.259 45.289 45.100 -0.115 0.000 1.046 449 G HN 0.298 nan 8.290 nan 0.000 0.513 450 L N -1.025 120.087 121.223 -0.185 0.000 2.488 450 L HA 0.322 4.662 4.340 0.000 0.000 0.249 450 L C 2.237 178.981 176.870 -0.210 0.000 1.151 450 L CA -0.073 54.650 54.840 -0.194 0.000 0.806 450 L CB 0.346 42.271 42.059 -0.224 0.000 1.261 450 L HN 0.433 nan 8.230 nan 0.000 0.484 451 E N -0.933 119.157 120.200 -0.184 0.000 2.209 451 E HA 0.044 4.395 4.350 0.000 0.000 0.196 451 E C 0.590 177.079 176.600 -0.186 0.000 0.993 451 E CA 0.638 56.946 56.400 -0.154 0.000 0.819 451 E CB -0.629 29.000 29.700 -0.119 0.000 0.745 451 E HN 0.914 nan 8.360 nan 0.000 0.477 452 G N -1.568 107.074 108.800 -0.262 0.000 2.489 452 G HA2 0.482 4.442 3.960 0.000 0.000 0.305 452 G HA3 0.482 4.442 3.960 0.000 0.000 0.305 452 G C -1.599 173.060 174.900 -0.401 0.000 1.311 452 G CA -0.762 44.152 45.100 -0.311 0.000 0.813 452 G HN 0.201 nan 8.290 nan 0.000 0.480 453 Y N 0.507 120.770 120.300 -0.061 0.000 2.352 453 Y HA 0.441 4.992 4.550 0.000 0.000 0.326 453 Y C -1.157 174.700 175.900 -0.072 0.000 1.166 453 Y CA -1.802 56.250 58.100 -0.080 0.000 1.182 453 Y CB 2.388 40.806 38.460 -0.071 0.000 1.216 453 Y HN 0.291 nan 8.280 nan 0.000 0.474 454 P HA -0.022 nan 4.420 nan 0.000 0.245 454 P C -0.229 177.053 177.300 -0.030 0.000 1.206 454 P CA 0.681 63.846 63.100 0.108 0.000 0.781 454 P CB 0.347 32.177 31.700 0.217 0.000 0.994 455 V N -4.124 115.745 119.914 -0.075 0.000 3.046 455 V HA 0.518 4.639 4.120 0.000 0.000 0.316 455 V C -0.249 175.802 176.094 -0.072 0.000 1.104 455 V CA -1.708 60.497 62.300 -0.160 0.000 1.006 455 V CB 0.905 32.539 31.823 -0.314 0.000 1.058 455 V HN -0.185 nan 8.190 nan 0.000 0.440 456 Y N 0.879 121.329 120.300 0.250 0.000 2.330 456 Y HA 0.400 4.950 4.550 0.000 0.000 0.341 456 Y C 1.997 178.121 175.900 0.373 0.000 1.278 456 Y CA 0.746 59.040 58.100 0.322 0.000 1.453 456 Y CB 1.082 39.767 38.460 0.374 0.000 1.342 456 Y HN 0.883 nan 8.280 nan 0.000 0.590 457 T N -2.690 112.162 114.554 0.497 0.000 2.985 457 T HA 0.327 4.677 4.350 0.000 0.000 0.254 457 T C 0.407 175.296 174.700 0.314 0.000 1.021 457 T CA -0.304 62.036 62.100 0.399 0.000 0.957 457 T CB 0.153 69.138 68.868 0.195 0.000 1.047 457 T HN 0.432 nan 8.240 nan 0.000 0.511 458 R N 1.143 121.720 120.500 0.127 0.000 2.460 458 R HA 0.446 4.787 4.340 0.000 0.000 0.303 458 R C 1.085 177.231 176.300 -0.256 0.000 0.968 458 R CA -0.829 55.138 56.100 -0.220 0.000 0.889 458 R CB 1.355 31.180 30.300 -0.792 0.000 1.123 458 R HN -0.089 nan 8.270 nan 0.000 0.455 459 K N 2.317 122.565 120.400 -0.254 0.000 2.097 459 K HA -0.104 4.216 4.320 0.000 0.000 0.206 459 K C 1.526 178.030 176.600 -0.160 0.000 1.049 459 K CA 1.457 57.613 56.287 -0.219 0.000 0.933 459 K CB 0.060 32.421 32.500 -0.232 0.000 0.717 459 K HN 0.443 nan 8.250 nan 0.000 0.442 460 V N 1.087 120.865 119.914 -0.226 0.000 2.594 460 V HA -0.223 3.898 4.120 0.000 0.000 0.253 460 V C 1.783 177.860 176.094 -0.028 0.000 1.069 460 V CA 1.523 63.737 62.300 -0.143 0.000 1.082 460 V CB -0.493 31.238 31.823 -0.152 0.000 0.680 460 V HN 0.252 nan 8.190 nan 0.000 0.469 461 Y N 0.674 120.910 120.300 -0.107 0.000 2.263 461 Y HA -0.075 4.475 4.550 0.000 0.000 0.292 461 Y C 2.790 178.467 175.900 -0.371 0.000 1.130 461 Y CA 1.364 59.306 58.100 -0.263 0.000 1.179 461 Y CB -1.682 36.590 38.460 -0.314 0.000 0.998 461 Y HN 0.242 nan 8.280 nan 0.000 0.532 462 T N 0.000 114.552 114.554 -0.004 0.000 2.746 462 T HA -0.158 4.192 4.350 0.000 0.000 0.267 462 T C 1.400 176.155 174.700 0.092 0.000 1.039 462 T CA 1.654 63.815 62.100 0.101 0.000 1.142 462 T CB -0.330 68.668 68.868 0.217 0.000 0.866 462 T HN 0.266 nan 8.240 nan 0.000 0.444 463 D N 0.723 121.146 120.400 0.040 0.000 2.123 463 D HA -0.066 4.574 4.640 0.000 0.000 0.196 463 D C 2.217 178.570 176.300 0.087 0.000 0.992 463 D CA 0.676 54.702 54.000 0.042 0.000 0.833 463 D CB -0.501 40.294 40.800 -0.007 0.000 0.954 463 D HN 0.197 nan 8.370 nan 0.000 0.455 464 V N 0.502 120.444 119.914 0.047 0.000 2.358 464 V HA -0.206 3.914 4.120 0.000 0.000 0.246 464 V C 2.592 178.715 176.094 0.049 0.000 1.047 464 V CA 1.783 64.108 62.300 0.042 0.000 1.035 464 V CB -0.488 31.341 31.823 0.010 0.000 0.658 464 V HN 0.204 nan 8.190 nan 0.000 0.452 465 S N -1.110 114.598 115.700 0.013 0.000 2.370 465 S HA -0.297 4.173 4.470 0.000 0.000 0.226 465 S C 2.006 176.695 174.600 0.149 0.000 1.033 465 S CA 2.137 60.380 58.200 0.072 0.000 1.011 465 S CB -0.505 62.759 63.200 0.107 0.000 0.852 465 S HN 0.667 nan 8.310 nan 0.000 0.457 466 Y N 1.566 121.903 120.300 0.061 0.000 2.181 466 Y HA -0.071 4.479 4.550 0.000 0.000 0.288 466 Y C 2.018 177.945 175.900 0.045 0.000 1.146 466 Y CA 1.875 60.017 58.100 0.069 0.000 1.164 466 Y CB -0.206 38.288 38.460 0.057 0.000 0.982 466 Y HN 0.256 nan 8.280 nan 0.000 0.515 467 L N -0.697 120.684 121.223 0.262 0.000 2.056 467 L HA -0.211 4.129 4.340 0.000 0.000 0.207 467 L C 2.785 179.686 176.870 0.052 0.000 1.078 467 L CA 1.059 55.983 54.840 0.140 0.000 0.749 467 L CB -0.977 41.151 42.059 0.115 0.000 0.901 467 L HN 0.307 nan 8.230 nan 0.000 0.433 468 A N -0.772 122.080 122.820 0.054 0.000 1.902 468 A HA -0.217 4.103 4.320 0.000 0.000 0.217 468 A C 2.401 179.997 177.584 0.021 0.000 1.181 468 A CA 1.825 53.882 52.037 0.034 0.000 0.623 468 A CB -1.121 17.905 19.000 0.042 0.000 0.818 468 A HN 0.527 nan 8.150 nan 0.000 0.443 469 C N -1.082 118.227 119.300 0.014 0.000 2.446 469 C HA 0.096 4.556 4.460 0.000 0.000 0.277 469 C C 3.317 178.298 174.990 -0.015 0.000 1.275 469 C CA 0.630 59.644 59.018 -0.007 0.000 1.727 469 C CB -1.318 26.402 27.740 -0.033 0.000 2.010 469 C HN 0.704 nan 8.230 nan 0.000 0.486 470 A N 0.658 123.454 122.820 -0.040 0.000 1.908 470 A HA -0.230 4.090 4.320 0.000 0.000 0.218 470 A C 2.176 179.768 177.584 0.013 0.000 1.181 470 A CA 1.743 53.799 52.037 0.032 0.000 0.627 470 A CB -0.478 18.417 19.000 -0.176 0.000 0.818 470 A HN 0.692 nan 8.150 nan 0.000 0.445 471 K N -0.254 120.131 120.400 -0.025 0.000 2.026 471 K HA -0.156 4.164 4.320 0.000 0.000 0.208 471 K C 2.084 178.685 176.600 0.002 0.000 1.048 471 K CA 1.699 57.973 56.287 -0.022 0.000 0.929 471 K CB -0.218 32.272 32.500 -0.017 0.000 0.713 471 K HN 0.455 nan 8.250 nan 0.000 0.439 472 K N 0.798 121.204 120.400 0.010 0.000 2.103 472 K HA -0.130 4.191 4.320 0.000 0.000 0.207 472 K C 2.136 178.745 176.600 0.014 0.000 1.048 472 K CA 1.206 57.501 56.287 0.013 0.000 0.930 472 K CB -0.130 32.380 32.500 0.018 0.000 0.716 472 K HN 0.100 nan 8.250 nan 0.000 0.444 473 L N 0.499 121.736 121.223 0.023 0.000 2.072 473 L HA -0.119 4.221 4.340 0.000 0.000 0.205 473 L C 2.211 179.097 176.870 0.026 0.000 1.079 473 L CA 0.798 55.645 54.840 0.011 0.000 0.752 473 L CB -0.310 41.741 42.059 -0.014 0.000 0.906 473 L HN 0.141 nan 8.230 nan 0.000 0.436 474 L N -0.163 121.095 121.223 0.058 0.000 2.265 474 L HA -0.142 4.198 4.340 0.000 0.000 0.215 474 L C 2.657 179.540 176.870 0.023 0.000 1.117 474 L CA 0.709 55.572 54.840 0.038 0.000 0.782 474 L CB -0.545 41.511 42.059 -0.006 0.000 0.914 474 L HN 0.234 nan 8.230 nan 0.000 0.441 475 A N -0.256 122.574 122.820 0.016 0.000 2.119 475 A HA 0.006 4.326 4.320 0.000 0.000 0.217 475 A C 1.268 178.863 177.584 0.018 0.000 1.153 475 A CA 1.118 53.163 52.037 0.014 0.000 0.692 475 A CB -0.239 18.766 19.000 0.009 0.000 0.799 475 A HN 0.260 nan 8.150 nan 0.000 0.458 476 V N -3.979 115.946 119.914 0.019 0.000 2.454 476 V HA 0.317 4.438 4.120 0.000 0.000 0.255 476 V C -2.299 173.812 176.094 0.029 0.000 1.009 476 V CA -1.310 61.000 62.300 0.016 0.000 1.149 476 V CB 0.628 32.452 31.823 0.002 0.000 1.418 476 V HN 0.100 nan 8.190 nan 0.000 0.567 477 P HA -0.107 nan 4.420 nan 0.000 0.222 477 P C 1.400 178.744 177.300 0.073 0.000 1.147 477 P CA 1.514 64.667 63.100 0.089 0.000 0.790 477 P CB 0.036 31.820 31.700 0.140 0.000 0.780 478 N N -0.118 118.605 118.700 0.039 0.000 2.409 478 N HA -0.066 4.674 4.740 0.000 0.000 0.179 478 N C 1.413 176.927 175.510 0.007 0.000 1.032 478 N CA 0.995 54.055 53.050 0.017 0.000 0.898 478 N CB -0.970 37.517 38.487 0.000 0.000 0.971 478 N HN 0.258 nan 8.380 nan 0.000 0.441 479 L N -0.649 120.577 121.223 0.005 0.000 2.575 479 L HA 0.359 4.700 4.340 0.000 0.000 0.228 479 L C 0.006 176.869 176.870 -0.012 0.000 1.075 479 L CA 0.193 55.023 54.840 -0.018 0.000 0.867 479 L CB 0.392 42.432 42.059 -0.032 0.000 1.097 479 L HN -0.027 nan 8.230 nan 0.000 0.485 480 I N -0.792 119.788 120.570 0.016 0.000 2.569 480 I HA 0.198 4.368 4.170 0.000 0.000 0.290 480 I C -1.287 174.885 176.117 0.092 0.000 1.088 480 I CA -0.623 60.690 61.300 0.022 0.000 1.047 480 I CB 1.943 39.931 38.000 -0.020 0.000 1.237 480 I HN -0.113 nan 8.210 nan 0.000 0.421 481 Y N 8.626 128.909 120.300 -0.029 0.000 2.504 481 Y HA 0.530 5.080 4.550 0.000 0.000 0.339 481 Y C -2.459 173.384 175.900 -0.096 0.000 0.974 481 Y CA -2.838 55.257 58.100 -0.008 0.000 1.232 481 Y CB 0.984 39.505 38.460 0.102 0.000 1.108 481 Y HN 0.295 nan 8.280 nan 0.000 0.509 482 P HA 0.223 nan 4.420 nan 0.000 0.280 482 P C -1.546 175.152 177.300 -1.003 0.000 1.244 482 P CA -0.239 62.414 63.100 -0.745 0.000 0.784 482 P CB 0.995 32.219 31.700 -0.793 0.000 0.913 483 Q N 2.248 121.526 119.800 -0.869 0.000 2.347 483 Q HA 0.413 4.753 4.340 0.000 0.000 0.265 483 Q C -1.089 174.635 176.000 -0.460 0.000 1.024 483 Q CA -0.263 55.194 55.803 -0.575 0.000 0.731 483 Q CB 1.096 29.648 28.738 -0.310 0.000 1.245 483 Q HN 0.408 nan 8.270 nan 0.000 0.472 484 F N 1.714 121.647 119.950 -0.028 0.000 2.334 484 F HA 0.413 4.941 4.527 0.000 0.000 0.365 484 F C 0.613 176.559 175.800 0.243 0.000 1.124 484 F CA -0.814 57.261 58.000 0.126 0.000 1.166 484 F CB 0.828 39.904 39.000 0.127 0.000 1.355 484 F HN 0.507 nan 8.300 nan 0.000 0.532 485 A N 3.102 126.106 122.820 0.305 0.000 2.347 485 A HA 0.580 4.900 4.320 0.000 0.000 0.287 485 A C 0.215 177.862 177.584 0.104 0.000 1.199 485 A CA 0.047 52.176 52.037 0.153 0.000 0.851 485 A CB 0.444 19.478 19.000 0.056 0.000 1.118 485 A HN 0.611 nan 8.150 nan 0.000 0.525 486 T N 1.226 115.771 114.554 -0.016 0.000 2.886 486 T HA 0.442 4.792 4.350 0.000 0.000 0.330 486 T C -0.328 174.244 174.700 -0.213 0.000 1.488 486 T CA -0.475 61.506 62.100 -0.197 0.000 1.054 486 T CB 0.716 69.468 68.868 -0.192 0.000 1.348 486 T HN 0.706 nan 8.240 nan 0.000 0.489 487 H N 1.442 120.496 119.070 -0.027 0.000 2.672 487 H HA 0.373 4.929 4.556 0.000 0.000 0.277 487 H C 0.536 175.660 175.328 -0.341 0.000 1.074 487 H CA -0.518 55.505 56.048 -0.042 0.000 1.173 487 H CB 0.484 30.281 29.762 0.058 0.000 1.558 487 H HN 0.250 nan 8.280 nan 0.000 0.539 488 N N 1.324 119.744 118.700 -0.465 0.000 2.419 488 N HA 0.120 4.860 4.740 0.000 0.000 0.264 488 N C 0.956 175.875 175.510 -0.985 0.000 1.031 488 N CA 0.121 52.535 53.050 -1.061 0.000 0.951 488 N CB 1.404 39.548 38.487 -0.571 0.000 1.101 488 N HN 0.281 nan 8.380 nan 0.000 0.488 489 A N 3.953 125.953 122.820 -1.366 0.000 1.933 489 A HA -0.199 4.121 4.320 0.000 0.000 0.218 489 A C 1.989 179.343 177.584 -0.385 0.000 1.175 489 A CA 1.262 52.921 52.037 -0.629 0.000 0.628 489 A CB -0.840 17.986 19.000 -0.291 0.000 0.814 489 A HN 0.917 nan 8.150 nan 0.000 0.444 490 H N -0.031 118.820 119.070 -0.365 0.000 2.326 490 H HA -0.090 4.466 4.556 0.000 0.000 0.301 490 H C 1.991 177.205 175.328 -0.190 0.000 1.081 490 H CA 2.014 57.950 56.048 -0.187 0.000 1.334 490 H CB -0.259 29.454 29.762 -0.082 0.000 1.385 490 H HN 0.423 nan 8.280 nan 0.000 0.504 491 T N 2.189 116.605 114.554 -0.230 0.000 2.720 491 T HA -0.167 4.184 4.350 0.000 0.000 0.268 491 T C 2.276 176.835 174.700 -0.234 0.000 1.037 491 T CA 1.332 63.283 62.100 -0.248 0.000 1.144 491 T CB -0.492 68.161 68.868 -0.358 0.000 0.864 491 T HN 0.280 nan 8.240 nan 0.000 0.444 492 L N 0.559 121.620 121.223 -0.270 0.000 2.017 492 L HA -0.071 4.269 4.340 0.000 0.000 0.208 492 L C 2.792 179.573 176.870 -0.149 0.000 1.073 492 L CA 1.583 56.286 54.840 -0.228 0.000 0.745 492 L CB -0.600 41.137 42.059 -0.537 0.000 0.894 492 L HN 0.291 nan 8.230 nan 0.000 0.432 493 A N -0.192 122.471 122.820 -0.261 0.000 1.902 493 A HA -0.187 4.133 4.320 0.000 0.000 0.217 493 A C 2.422 179.928 177.584 -0.130 0.000 1.181 493 A CA 1.738 53.661 52.037 -0.189 0.000 0.623 493 A CB -0.944 17.916 19.000 -0.233 0.000 0.818 493 A HN 0.602 nan 8.150 nan 0.000 0.443 494 A N -0.305 122.328 122.820 -0.312 0.000 1.877 494 A HA -0.067 4.253 4.320 0.000 0.000 0.216 494 A C 1.981 179.470 177.584 -0.159 0.000 1.186 494 A CA 1.777 53.659 52.037 -0.258 0.000 0.620 494 A CB -0.566 18.221 19.000 -0.355 0.000 0.822 494 A HN 0.389 nan 8.150 nan 0.000 0.443 495 I N -1.650 118.816 120.570 -0.174 0.000 2.179 495 I HA -0.220 3.950 4.170 0.000 0.000 0.242 495 I C 2.296 178.266 176.117 -0.244 0.000 1.088 495 I CA 1.299 62.391 61.300 -0.346 0.000 1.357 495 I CB -1.025 36.668 38.000 -0.511 0.000 1.051 495 I HN 0.545 nan 8.210 nan 0.000 0.409 496 Y N 1.272 121.542 120.300 -0.051 0.000 2.151 496 Y HA -0.331 4.220 4.550 0.000 0.000 0.284 496 Y C 2.469 178.354 175.900 -0.026 0.000 1.166 496 Y CA 1.871 60.011 58.100 0.067 0.000 1.163 496 Y CB -0.061 38.487 38.460 0.147 0.000 0.974 496 Y HN 0.251 nan 8.280 nan 0.000 0.511 497 Q N -0.133 119.683 119.800 0.028 0.000 2.123 497 Q HA -0.054 4.286 4.340 0.000 0.000 0.196 497 Q C 2.435 178.369 176.000 -0.110 0.000 0.958 497 Q CA 1.253 57.031 55.803 -0.042 0.000 0.841 497 Q CB -0.421 28.334 28.738 0.029 0.000 0.915 497 Q HN 0.544 nan 8.270 nan 0.000 0.455 498 L N 0.604 121.743 121.223 -0.139 0.000 2.265 498 L HA -0.105 4.235 4.340 0.000 0.000 0.215 498 L C 2.154 178.922 176.870 -0.171 0.000 1.117 498 L CA 0.827 55.578 54.840 -0.149 0.000 0.782 498 L CB -0.449 41.500 42.059 -0.183 0.000 0.914 498 L HN 0.097 nan 8.230 nan 0.000 0.441 499 A N -0.235 122.443 122.820 -0.236 0.000 2.167 499 A HA 0.330 4.650 4.320 0.000 0.000 0.214 499 A C 1.354 178.889 177.584 -0.082 0.000 1.151 499 A CA 0.770 52.686 52.037 -0.201 0.000 0.735 499 A CB -0.522 18.297 19.000 -0.302 0.000 0.802 499 A HN 0.472 nan 8.150 nan 0.000 0.467 500 G N -0.955 107.785 108.800 -0.099 0.000 2.782 500 G HA2 -0.177 3.784 3.960 0.000 0.000 0.228 500 G HA3 -0.177 3.784 3.960 0.000 0.000 0.228 500 G C -0.450 174.423 174.900 -0.044 0.000 1.372 500 G CA -0.209 44.858 45.100 -0.055 0.000 0.862 500 G HN 0.708 nan 8.290 nan 0.000 0.547 501 Q N 0.211 120.004 119.800 -0.012 0.000 2.382 501 Q HA 0.511 4.851 4.340 0.000 0.000 0.229 501 Q C 0.717 176.747 176.000 0.051 0.000 1.006 501 Q CA 0.199 56.007 55.803 0.008 0.000 0.916 501 Q CB 0.335 29.082 28.738 0.015 0.000 1.235 501 Q HN 0.871 nan 8.270 nan 0.000 0.512 502 N N -0.652 118.091 118.700 0.073 0.000 2.806 502 N HA -0.241 4.499 4.740 0.000 0.000 0.248 502 N C -1.341 174.265 175.510 0.160 0.000 1.081 502 N CA -0.015 53.100 53.050 0.108 0.000 0.680 502 N CB -1.615 36.926 38.487 0.089 0.000 0.941 502 N HN 0.527 nan 8.380 nan 0.000 0.554 503 Y N 2.150 122.457 120.300 0.011 0.000 2.702 503 Y HA 0.215 4.765 4.550 0.000 0.000 0.336 503 Y C 0.247 176.163 175.900 0.028 0.000 1.235 503 Y CA 0.124 58.190 58.100 -0.058 0.000 1.492 503 Y CB 0.330 38.730 38.460 -0.101 0.000 1.308 503 Y HN 0.227 nan 8.280 nan 0.000 0.589 504 Y N 4.243 123.962 120.300 -0.968 0.000 2.512 504 Y HA 0.504 5.055 4.550 0.000 0.000 0.348 504 Y C -2.453 172.697 175.900 -1.249 0.000 0.990 504 Y CA -3.218 54.397 58.100 -0.808 0.000 1.033 504 Y CB 1.095 39.319 38.460 -0.395 0.000 1.259 504 Y HN 0.323 nan 8.280 nan 0.000 0.461 505 P HA -0.150 nan 4.420 nan 0.000 0.216 505 P C 1.374 178.473 177.300 -0.335 0.000 1.154 505 P CA 2.795 65.682 63.100 -0.355 0.000 0.865 505 P CB 0.014 31.649 31.700 -0.108 0.000 0.789 506 G N -0.865 107.757 108.800 -0.297 0.000 3.124 506 G HA2 -0.133 3.827 3.960 0.000 0.000 0.212 506 G HA3 -0.133 3.827 3.960 0.000 0.000 0.212 506 G C 1.387 176.204 174.900 -0.138 0.000 1.181 506 G CA -0.091 44.796 45.100 -0.355 0.000 0.803 506 G HN 0.304 nan 8.290 nan 0.000 0.529 507 Q N -0.305 119.132 119.800 -0.604 0.000 2.049 507 Q HA 0.079 4.419 4.340 0.000 0.000 0.198 507 Q C 0.392 176.390 176.000 -0.004 0.000 0.971 507 Q CA 0.803 56.245 55.803 -0.601 0.000 0.833 507 Q CB 0.036 28.065 28.738 -1.182 0.000 0.896 507 Q HN 0.607 nan 8.270 nan 0.000 0.434 508 Y N -2.096 118.137 120.300 -0.111 0.000 2.741 508 Y HA 0.398 4.949 4.550 0.000 0.000 0.339 508 Y C -1.871 173.904 175.900 -0.208 0.000 1.226 508 Y CA -1.261 56.642 58.100 -0.328 0.000 1.072 508 Y CB 0.530 38.884 38.460 -0.177 0.000 1.331 508 Y HN 0.110 nan 8.280 nan 0.000 0.453 509 E N 1.247 121.279 120.200 -0.280 0.000 2.410 509 E HA 0.615 4.966 4.350 0.000 0.000 0.269 509 E C -1.868 174.687 176.600 -0.075 0.000 0.937 509 E CA -0.978 55.315 56.400 -0.179 0.000 0.793 509 E CB 2.691 32.382 29.700 -0.015 0.000 1.314 509 E HN 0.490 nan 8.360 nan 0.000 0.447 510 F N 0.229 120.265 119.950 0.143 0.000 2.380 510 F HA 0.390 4.917 4.527 0.000 0.000 0.319 510 F C 0.642 176.389 175.800 -0.088 0.000 1.113 510 F CA -0.355 57.723 58.000 0.131 0.000 1.056 510 F CB 1.586 40.699 39.000 0.189 0.000 1.289 510 F HN 0.315 nan 8.300 nan 0.000 0.515 511 Q N 0.658 120.512 119.800 0.089 0.000 2.456 511 Q HA 0.621 4.961 4.340 0.000 0.000 0.284 511 Q C -1.492 174.426 176.000 -0.137 0.000 1.061 511 Q CA -0.977 54.781 55.803 -0.074 0.000 0.799 511 Q CB 2.798 31.528 28.738 -0.014 0.000 1.445 511 Q HN 0.878 nan 8.270 nan 0.000 0.411 512 C N -1.232 118.014 119.300 -0.090 0.000 3.323 512 C HA 0.752 5.212 4.460 0.000 0.000 0.324 512 C C -1.130 174.013 174.990 0.254 0.000 1.428 512 C CA -1.015 58.080 59.018 0.129 0.000 1.368 512 C CB 0.373 28.259 27.740 0.242 0.000 1.731 512 C HN 0.852 nan 8.230 nan 0.000 0.455 513 L N 1.675 123.234 121.223 0.560 0.000 2.307 513 L HA 0.390 4.730 4.340 0.000 0.000 0.282 513 L C 0.359 177.381 176.870 0.254 0.000 1.051 513 L CA -0.233 54.816 54.840 0.348 0.000 0.804 513 L CB 0.731 43.002 42.059 0.353 0.000 1.197 513 L HN 0.905 nan 8.230 nan 0.000 0.431 514 H N 2.178 121.352 119.070 0.173 0.000 3.034 514 H HA 0.200 4.756 4.556 0.000 0.000 0.324 514 H C 1.041 176.482 175.328 0.189 0.000 1.015 514 H CA 1.076 57.207 56.048 0.138 0.000 1.429 514 H CB 0.691 30.543 29.762 0.150 0.000 1.429 514 H HN 0.758 nan 8.280 nan 0.000 0.585 515 G N 3.316 111.772 108.800 -0.574 0.000 2.199 515 G HA2 -0.296 3.665 3.960 0.000 0.000 0.254 515 G HA3 -0.296 3.665 3.960 0.000 0.000 0.254 515 G C 0.817 175.620 174.900 -0.161 0.000 0.982 515 G CA 0.627 45.461 45.100 -0.444 0.000 0.632 515 G HN 0.605 nan 8.290 nan 0.000 0.529 516 M N -0.982 118.547 119.600 -0.118 0.000 2.532 516 M HA 0.295 4.776 4.480 0.000 0.000 0.244 516 M C 2.315 178.447 176.300 -0.280 0.000 1.390 516 M CA 1.255 56.410 55.300 -0.241 0.000 1.132 516 M CB 0.677 32.995 32.600 -0.471 0.000 1.466 516 M HN 0.216 nan 8.290 nan 0.000 0.550 517 G N -0.052 108.675 108.800 -0.122 0.000 2.833 517 G HA2 0.015 3.975 3.960 0.000 0.000 0.210 517 G HA3 0.015 3.975 3.960 0.000 0.000 0.210 517 G C 1.009 176.079 174.900 0.283 0.000 1.139 517 G CA 0.100 45.330 45.100 0.217 0.000 0.771 517 G HN 0.290 nan 8.290 nan 0.000 0.535 518 E N 1.285 121.550 120.200 0.108 0.000 2.058 518 E HA -0.084 4.267 4.350 0.000 0.000 0.194 518 E C -0.105 176.554 176.600 0.098 0.000 0.997 518 E CA 1.519 57.958 56.400 0.065 0.000 0.801 518 E CB -0.772 28.870 29.700 -0.097 0.000 0.746 518 E HN 0.313 nan 8.360 nan 0.000 0.450 519 P HA -0.202 nan 4.420 nan 0.000 0.215 519 P C 1.500 178.813 177.300 0.022 0.000 1.163 519 P CA 0.951 64.063 63.100 0.020 0.000 0.894 519 P CB 0.007 31.702 31.700 -0.009 0.000 0.791 520 L N -1.978 119.247 121.223 0.004 0.000 2.056 520 L HA -0.123 4.218 4.340 0.000 0.000 0.207 520 L C 2.095 178.841 176.870 -0.208 0.000 1.078 520 L CA 1.831 56.586 54.840 -0.142 0.000 0.749 520 L CB -1.397 40.512 42.059 -0.249 0.000 0.901 520 L HN -0.051 nan 8.230 nan 0.000 0.433 521 Y N 0.015 120.358 120.300 0.071 0.000 2.546 521 Y HA 0.080 4.630 4.550 0.000 0.000 0.287 521 Y C 2.557 178.583 175.900 0.211 0.000 1.158 521 Y CA 0.832 58.999 58.100 0.111 0.000 1.307 521 Y CB -0.574 38.037 38.460 0.252 0.000 1.036 521 Y HN 0.392 nan 8.280 nan 0.000 0.532 522 E N 0.588 120.981 120.200 0.322 0.000 2.265 522 E HA -0.202 4.149 4.350 0.000 0.000 0.196 522 E C 1.591 178.248 176.600 0.095 0.000 0.996 522 E CA 1.383 57.932 56.400 0.250 0.000 0.832 522 E CB -0.575 29.217 29.700 0.153 0.000 0.756 522 E HN 0.674 nan 8.360 nan 0.000 0.491 523 Q N -0.806 118.998 119.800 0.006 0.000 2.425 523 Q HA 0.144 4.484 4.340 0.000 0.000 0.204 523 Q C 1.873 177.816 176.000 -0.096 0.000 0.933 523 Q CA 0.764 56.530 55.803 -0.061 0.000 0.939 523 Q CB 0.783 29.450 28.738 -0.118 0.000 1.044 523 Q HN 0.489 nan 8.270 nan 0.000 0.513 524 V N -0.740 119.124 119.914 -0.082 0.000 2.854 524 V HA 0.025 4.145 4.120 0.000 0.000 0.236 524 V C 0.814 176.866 176.094 -0.070 0.000 1.157 524 V CA 0.705 62.939 62.300 -0.109 0.000 1.187 524 V CB 0.897 32.631 31.823 -0.149 0.000 0.949 524 V HN 0.074 nan 8.190 nan 0.000 0.488 525 T N 1.769 116.251 114.554 -0.121 0.000 2.761 525 T HA 0.600 4.950 4.350 0.000 0.000 0.296 525 T C 0.197 174.805 174.700 -0.153 0.000 0.934 525 T CA 0.774 62.716 62.100 -0.264 0.000 1.091 525 T CB 0.528 68.903 68.868 -0.821 0.000 0.896 525 T HN 0.836 nan 8.240 nan 0.000 0.515 526 G N 2.627 111.375 108.800 -0.086 0.000 2.369 526 G HA2 0.123 4.084 3.960 0.000 0.000 0.307 526 G HA3 0.123 4.084 3.960 0.000 0.000 0.307 526 G C -1.531 173.365 174.900 -0.007 0.000 1.327 526 G CA -1.183 43.904 45.100 -0.022 0.000 0.963 526 G HN 0.594 nan 8.290 nan 0.000 0.590 527 K N -0.059 120.347 120.400 0.011 0.000 2.270 527 K HA 0.408 4.728 4.320 0.000 0.000 0.276 527 K C 1.434 178.041 176.600 0.012 0.000 1.023 527 K CA -0.424 55.873 56.287 0.016 0.000 0.955 527 K CB 2.047 34.561 32.500 0.023 0.000 0.975 527 K HN 0.248 nan 8.250 nan 0.000 0.471 528 V N 2.319 122.243 119.914 0.017 0.000 2.490 528 V HA -0.264 3.857 4.120 0.000 0.000 0.250 528 V C 2.116 178.218 176.094 0.013 0.000 1.061 528 V CA 2.331 64.641 62.300 0.016 0.000 1.064 528 V CB -0.642 31.199 31.823 0.029 0.000 0.670 528 V HN 0.959 nan 8.190 nan 0.000 0.461 529 A N -0.205 122.625 122.820 0.017 0.000 2.019 529 A HA -0.204 4.116 4.320 0.000 0.000 0.219 529 A C 1.721 179.312 177.584 0.012 0.000 1.164 529 A CA 1.805 53.852 52.037 0.016 0.000 0.644 529 A CB -0.397 18.613 19.000 0.018 0.000 0.805 529 A HN 0.554 nan 8.150 nan 0.000 0.449 530 D N -1.221 119.186 120.400 0.012 0.000 2.328 530 D HA 0.297 4.937 4.640 0.000 0.000 0.221 530 D C 1.239 177.541 176.300 0.003 0.000 1.072 530 D CA 0.955 54.962 54.000 0.011 0.000 0.850 530 D CB 0.010 40.821 40.800 0.018 0.000 0.922 530 D HN 0.570 nan 8.370 nan 0.000 0.516 531 G N 0.863 109.661 108.800 -0.002 0.000 2.132 531 G HA2 -0.254 3.707 3.960 0.000 0.000 0.234 531 G HA3 -0.254 3.707 3.960 0.000 0.000 0.234 531 G C 0.376 175.259 174.900 -0.029 0.000 0.989 531 G CA -0.061 45.031 45.100 -0.014 0.000 0.676 531 G HN 0.133 nan 8.290 nan 0.000 0.522 532 K N -0.357 120.028 120.400 -0.025 0.000 2.177 532 K HA 0.669 4.990 4.320 0.000 0.000 0.238 532 K C 1.546 178.115 176.600 -0.052 0.000 1.015 532 K CA -1.034 55.226 56.287 -0.043 0.000 0.922 532 K CB 0.578 33.061 32.500 -0.028 0.000 1.127 532 K HN 0.074 nan 8.250 nan 0.000 0.469 533 L N 0.487 121.663 121.223 -0.080 0.000 2.492 533 L HA 0.048 4.389 4.340 0.000 0.000 0.223 533 L C 0.655 177.526 176.870 0.001 0.000 1.132 533 L CA 0.261 55.063 54.840 -0.064 0.000 0.850 533 L CB -0.421 41.536 42.059 -0.171 0.000 0.966 533 L HN 0.800 nan 8.230 nan 0.000 0.454 534 N N 1.446 120.130 118.700 -0.026 0.000 2.738 534 N HA -0.168 4.572 4.740 0.000 0.000 0.249 534 N C -0.635 174.807 175.510 -0.113 0.000 1.047 534 N CA 0.001 53.029 53.050 -0.036 0.000 0.707 534 N CB -0.078 38.410 38.487 0.003 0.000 0.937 534 N HN 0.212 nan 8.380 nan 0.000 0.545 535 R N 0.485 120.930 120.500 -0.092 0.000 2.562 535 R HA 0.505 4.845 4.340 0.000 0.000 0.298 535 R C -2.493 173.788 176.300 -0.032 0.000 0.961 535 R CA -1.680 54.333 56.100 -0.146 0.000 0.881 535 R CB 1.362 31.719 30.300 0.095 0.000 1.159 535 R HN 0.127 nan 8.270 nan 0.000 0.450 536 P HA 0.144 nan 4.420 nan 0.000 0.275 536 P C -0.373 176.917 177.300 -0.017 0.000 1.227 536 P CA -0.456 62.610 63.100 -0.057 0.000 0.781 536 P CB 0.758 32.460 31.700 0.004 0.000 0.906 537 C N 4.415 123.620 119.300 -0.157 0.000 2.441 537 C HA 0.549 5.009 4.460 0.000 0.000 0.318 537 C C -0.120 174.820 174.990 -0.082 0.000 1.222 537 C CA -0.674 58.252 59.018 -0.153 0.000 1.474 537 C CB 0.370 27.887 27.740 -0.372 0.000 2.125 537 C HN 0.634 nan 8.230 nan 0.000 0.479 538 R N 5.482 125.942 120.500 -0.066 0.000 2.255 538 R HA 0.632 4.972 4.340 0.000 0.000 0.326 538 R C -0.836 175.388 176.300 -0.127 0.000 0.986 538 R CA -0.438 55.620 56.100 -0.070 0.000 0.847 538 R CB 0.564 30.851 30.300 -0.023 0.000 1.111 538 R HN 0.817 nan 8.270 nan 0.000 0.452 539 I N 2.665 123.078 120.570 -0.261 0.000 2.371 539 I HA 0.070 4.240 4.170 0.000 0.000 0.290 539 I C 0.514 176.533 176.117 -0.163 0.000 1.028 539 I CA -0.109 61.040 61.300 -0.252 0.000 1.345 539 I CB 1.756 39.459 38.000 -0.494 0.000 1.407 539 I HN 0.508 nan 8.210 nan 0.000 0.501 540 S N 5.292 120.985 115.700 -0.012 0.000 2.474 540 S HA 0.594 5.064 4.470 0.000 0.000 0.276 540 S C -0.102 174.558 174.600 0.100 0.000 1.227 540 S CA -0.621 57.601 58.200 0.038 0.000 1.050 540 S CB 0.379 63.638 63.200 0.099 0.000 0.939 540 S HN 0.676 nan 8.310 nan 0.000 0.490 541 A N 7.331 130.179 122.820 0.046 0.000 2.360 541 A HA 0.652 4.972 4.320 0.000 0.000 0.309 541 A C -2.871 174.758 177.584 0.075 0.000 1.311 541 A CA -1.779 50.306 52.037 0.079 0.000 0.805 541 A CB 0.702 19.748 19.000 0.077 0.000 1.144 541 A HN 0.588 nan 8.150 nan 0.000 0.486 542 P HA 0.315 nan 4.420 nan 0.000 0.271 542 P C -0.642 176.641 177.300 -0.028 0.000 1.216 542 P CA 0.039 63.071 63.100 -0.113 0.000 0.771 542 P CB 1.235 32.710 31.700 -0.375 0.000 0.864 543 V N 3.282 123.186 119.914 -0.017 0.000 2.483 543 V HA 0.891 5.011 4.120 0.000 0.000 0.297 543 V C 0.420 176.500 176.094 -0.023 0.000 1.027 543 V CA -0.093 62.207 62.300 0.000 0.000 0.855 543 V CB 1.315 33.156 31.823 0.030 0.000 0.995 543 V HN 0.907 nan 8.190 nan 0.000 0.424 544 G N 2.742 111.531 108.800 -0.018 0.000 2.336 544 G HA2 0.469 4.429 3.960 0.000 0.000 0.300 544 G HA3 0.469 4.429 3.960 0.000 0.000 0.300 544 G C -0.606 174.295 174.900 0.001 0.000 1.375 544 G CA -0.053 45.038 45.100 -0.015 0.000 0.885 544 G HN 0.865 nan 8.290 nan 0.000 0.599 545 T N -2.567 111.982 114.554 -0.008 0.000 2.847 545 T HA 0.469 4.819 4.350 0.000 0.000 0.279 545 T C 1.632 176.325 174.700 -0.012 0.000 0.984 545 T CA 0.728 62.831 62.100 0.006 0.000 0.988 545 T CB 1.072 69.916 68.868 -0.038 0.000 1.040 545 T HN 1.387 nan 8.240 nan 0.000 0.528 546 H N -0.491 118.599 119.070 0.033 0.000 2.460 546 H HA -0.071 4.485 4.556 0.000 0.000 0.297 546 H C 1.446 176.802 175.328 0.048 0.000 1.103 546 H CA 1.847 57.921 56.048 0.043 0.000 1.292 546 H CB -0.564 29.221 29.762 0.038 0.000 1.376 546 H HN 0.790 nan 8.280 nan 0.000 0.531 547 E N 0.396 120.268 120.200 -0.546 0.000 2.418 547 E HA -0.063 4.287 4.350 0.000 0.000 0.197 547 E C 1.156 177.705 176.600 -0.086 0.000 1.026 547 E CA 1.244 57.447 56.400 -0.329 0.000 0.862 547 E CB 0.186 29.663 29.700 -0.372 0.000 0.799 547 E HN 0.824 nan 8.360 nan 0.000 0.518 548 T N -2.107 112.423 114.554 -0.040 0.000 3.084 548 T HA 0.145 4.495 4.350 0.000 0.000 0.270 548 T C 1.294 176.023 174.700 0.049 0.000 1.008 548 T CA -0.365 61.753 62.100 0.029 0.000 0.900 548 T CB 0.186 69.073 68.868 0.031 0.000 1.084 548 T HN 0.009 nan 8.240 nan 0.000 0.538 549 L N 0.553 121.816 121.223 0.066 0.000 2.416 549 L HA 0.470 4.810 4.340 0.000 0.000 0.216 549 L C 1.801 178.758 176.870 0.145 0.000 1.098 549 L CA 0.644 55.549 54.840 0.108 0.000 0.840 549 L CB -0.584 41.552 42.059 0.129 0.000 0.981 549 L HN 0.269 nan 8.230 nan 0.000 0.462 550 L N 0.683 121.977 121.223 0.119 0.000 1.956 550 L HA -0.163 4.177 4.340 0.000 0.000 0.216 550 L C 2.521 179.456 176.870 0.108 0.000 1.073 550 L CA 2.468 57.374 54.840 0.111 0.000 0.762 550 L CB -1.271 40.843 42.059 0.092 0.000 0.889 550 L HN 0.260 nan 8.230 nan 0.000 0.433 551 A N -1.891 120.996 122.820 0.111 0.000 1.933 551 A HA -0.280 4.040 4.320 0.000 0.000 0.218 551 A C 2.324 179.954 177.584 0.077 0.000 1.175 551 A CA 1.840 53.933 52.037 0.094 0.000 0.628 551 A CB -1.227 17.840 19.000 0.111 0.000 0.814 551 A HN 0.687 nan 8.150 nan 0.000 0.444 552 Y N -0.045 120.251 120.300 -0.007 0.000 2.163 552 Y HA -0.160 4.390 4.550 0.001 0.000 0.288 552 Y C 2.155 178.002 175.900 -0.089 0.000 1.136 552 Y CA 1.724 59.797 58.100 -0.045 0.000 1.147 552 Y CB -0.097 38.358 38.460 -0.008 0.000 0.987 552 Y HN 0.250 nan 8.280 nan 0.000 0.509 553 L N -0.304 121.013 121.223 0.157 0.000 2.012 553 L HA -0.202 4.138 4.340 0.000 0.000 0.210 553 L C 2.202 179.032 176.870 -0.067 0.000 1.073 553 L CA 1.970 56.845 54.840 0.058 0.000 0.748 553 L CB -1.078 41.077 42.059 0.159 0.000 0.891 553 L HN 0.267 nan 8.230 nan 0.000 0.431 554 V N 0.554 120.451 119.914 -0.028 0.000 2.332 554 V HA -0.301 3.819 4.120 0.000 0.000 0.248 554 V C 2.786 178.809 176.094 -0.118 0.000 1.055 554 V CA 1.968 64.243 62.300 -0.042 0.000 1.038 554 V CB -0.715 31.106 31.823 -0.004 0.000 0.651 554 V HN 0.478 nan 8.190 nan 0.000 0.450 555 R N -0.374 120.006 120.500 -0.200 0.000 2.105 555 R HA -0.124 4.217 4.340 0.000 0.000 0.239 555 R C 2.544 178.642 176.300 -0.336 0.000 1.135 555 R CA 1.163 57.088 56.100 -0.290 0.000 0.967 555 R CB -0.322 29.718 30.300 -0.433 0.000 0.861 555 R HN 0.431 nan 8.270 nan 0.000 0.442 556 R N 0.744 120.964 120.500 -0.467 0.000 2.092 556 R HA -0.035 4.305 4.340 0.000 0.000 0.231 556 R C 2.356 178.468 176.300 -0.313 0.000 1.119 556 R CA 0.895 56.653 56.100 -0.570 0.000 0.970 556 R CB -0.673 28.925 30.300 -1.170 0.000 0.864 556 R HN 0.293 nan 8.270 nan 0.000 0.440 557 L N 0.668 121.782 121.223 -0.183 0.000 2.012 557 L HA -0.190 4.150 4.340 0.000 0.000 0.210 557 L C 2.550 179.396 176.870 -0.041 0.000 1.073 557 L CA 1.401 56.210 54.840 -0.051 0.000 0.748 557 L CB -0.656 41.399 42.059 -0.007 0.000 0.891 557 L HN 0.137 nan 8.230 nan 0.000 0.431 558 L N -0.379 120.813 121.223 -0.053 0.000 2.042 558 L HA -0.253 4.087 4.340 0.000 0.000 0.210 558 L C 2.642 179.499 176.870 -0.022 0.000 1.076 558 L CA 1.489 56.319 54.840 -0.015 0.000 0.749 558 L CB -0.495 41.568 42.059 0.006 0.000 0.893 558 L HN 0.368 nan 8.230 nan 0.000 0.432 559 E N 0.512 120.673 120.200 -0.064 0.000 2.047 559 E HA -0.214 4.136 4.350 0.000 0.000 0.191 559 E C 1.859 178.444 176.600 -0.026 0.000 0.987 559 E CA 1.563 57.932 56.400 -0.052 0.000 0.799 559 E CB 0.086 29.731 29.700 -0.091 0.000 0.752 559 E HN 0.468 nan 8.360 nan 0.000 0.449 560 N N -0.626 118.057 118.700 -0.028 0.000 2.270 560 N HA -0.057 4.683 4.740 0.000 0.000 0.181 560 N C 1.539 177.052 175.510 0.006 0.000 1.016 560 N CA 1.152 54.208 53.050 0.010 0.000 0.870 560 N CB -0.066 38.456 38.487 0.058 0.000 0.979 560 N HN 0.209 nan 8.380 nan 0.000 0.431 561 G N -0.688 108.114 108.800 0.002 0.000 2.777 561 G HA2 0.248 4.208 3.960 0.000 0.000 0.211 561 G HA3 0.248 4.208 3.960 0.000 0.000 0.211 561 G C 0.195 175.092 174.900 -0.005 0.000 1.149 561 G CA 0.036 45.138 45.100 0.003 0.000 0.785 561 G HN 0.370 nan 8.290 nan 0.000 0.536 562 A N 1.584 124.397 122.820 -0.012 0.000 2.454 562 A HA 0.306 4.626 4.320 0.000 0.000 0.260 562 A C 1.586 179.147 177.584 -0.037 0.000 1.106 562 A CA -0.027 51.996 52.037 -0.023 0.000 0.780 562 A CB 0.273 19.248 19.000 -0.041 0.000 1.044 562 A HN 0.376 nan 8.150 nan 0.000 0.498 563 N N 2.373 121.051 118.700 -0.037 0.000 2.443 563 N HA -0.172 4.568 4.740 0.000 0.000 0.184 563 N C 0.967 176.441 175.510 -0.060 0.000 1.037 563 N CA 1.873 54.896 53.050 -0.045 0.000 0.896 563 N CB -0.607 37.860 38.487 -0.033 0.000 0.959 563 N HN 0.629 nan 8.380 nan 0.000 0.442 564 T N -3.540 110.970 114.554 -0.073 0.000 3.081 564 T HA 0.142 4.492 4.350 0.000 0.000 0.255 564 T C 0.793 175.452 174.700 -0.068 0.000 1.113 564 T CA -0.309 61.737 62.100 -0.089 0.000 1.082 564 T CB -0.156 68.627 68.868 -0.142 0.000 0.939 564 T HN 0.010 nan 8.240 nan 0.000 0.506 565 S N 1.444 117.114 115.700 -0.050 0.000 2.548 565 S HA 0.392 4.863 4.470 0.000 0.000 0.277 565 S C 0.400 175.016 174.600 0.026 0.000 1.315 565 S CA -0.822 57.377 58.200 -0.003 0.000 1.050 565 S CB 0.567 63.768 63.200 0.003 0.000 0.918 565 S HN 0.372 nan 8.310 nan 0.000 0.497 566 F N 4.180 124.097 119.950 -0.054 0.000 2.120 566 F HA -0.193 4.334 4.527 0.000 0.000 0.300 566 F C 2.057 177.832 175.800 -0.041 0.000 1.095 566 F CA 1.983 59.953 58.000 -0.050 0.000 1.249 566 F CB -0.280 38.693 39.000 -0.046 0.000 0.995 566 F HN 0.488 nan 8.300 nan 0.000 0.480 567 V N -1.400 118.600 119.914 0.143 0.000 2.970 567 V HA -0.177 3.943 4.120 0.000 0.000 0.260 567 V C 2.074 178.127 176.094 -0.069 0.000 1.100 567 V CA 1.969 64.299 62.300 0.051 0.000 1.122 567 V CB -1.037 30.844 31.823 0.097 0.000 0.721 567 V HN 0.545 nan 8.190 nan 0.000 0.483 568 N N 1.413 120.066 118.700 -0.077 0.000 2.197 568 N HA -0.076 4.664 4.740 0.000 0.000 0.184 568 N C 2.079 177.502 175.510 -0.146 0.000 1.030 568 N CA 1.360 54.358 53.050 -0.087 0.000 0.851 568 N CB -0.025 38.427 38.487 -0.058 0.000 1.003 568 N HN 0.472 nan 8.380 nan 0.000 0.430 569 R N 0.755 121.139 120.500 -0.192 0.000 2.120 569 R HA -0.054 4.287 4.340 0.000 0.000 0.234 569 R C 2.204 178.315 176.300 -0.314 0.000 1.123 569 R CA 0.673 56.635 56.100 -0.230 0.000 0.975 569 R CB -0.437 29.727 30.300 -0.226 0.000 0.866 569 R HN 0.356 nan 8.270 nan 0.000 0.446 570 I N 0.824 121.115 120.570 -0.465 0.000 2.830 570 I HA -0.134 4.036 4.170 0.000 0.000 0.263 570 I C 1.961 177.925 176.117 -0.256 0.000 1.230 570 I CA 0.570 61.592 61.300 -0.464 0.000 1.480 570 I CB 0.015 37.629 38.000 -0.644 0.000 1.095 570 I HN 0.108 nan 8.210 nan 0.000 0.455 571 A N -0.603 122.100 122.820 -0.196 0.000 2.123 571 A HA -0.108 4.212 4.320 0.000 0.000 0.214 571 A C 1.082 178.599 177.584 -0.112 0.000 1.152 571 A CA 0.448 52.408 52.037 -0.129 0.000 0.728 571 A CB -0.289 18.652 19.000 -0.098 0.000 0.814 571 A HN 0.413 nan 8.150 nan 0.000 0.464 572 D N 1.110 121.435 120.400 -0.125 0.000 2.470 572 D HA 0.108 4.749 4.640 0.000 0.000 0.226 572 D C 1.386 177.626 176.300 -0.099 0.000 1.196 572 D CA 0.721 54.661 54.000 -0.100 0.000 0.979 572 D CB 0.353 41.094 40.800 -0.098 0.000 1.059 572 D HN 0.311 nan 8.370 nan 0.000 0.515 573 T N -0.671 113.832 114.554 -0.084 0.000 3.139 573 T HA -0.171 4.179 4.350 0.000 0.000 0.267 573 T C 1.627 176.290 174.700 -0.062 0.000 1.164 573 T CA 0.982 63.036 62.100 -0.076 0.000 1.075 573 T CB -0.210 68.620 68.868 -0.063 0.000 0.904 573 T HN 0.245 nan 8.240 nan 0.000 0.540 574 S N -0.035 115.630 115.700 -0.058 0.000 2.548 574 S HA 0.255 4.726 4.470 0.000 0.000 0.215 574 S C 0.408 174.980 174.600 -0.048 0.000 0.976 574 S CA -0.741 57.432 58.200 -0.046 0.000 0.908 574 S CB -0.441 62.736 63.200 -0.039 0.000 0.781 574 S HN 0.447 nan 8.310 nan 0.000 0.519 575 L N 3.264 124.448 121.223 -0.064 0.000 2.257 575 L HA 0.588 4.928 4.340 0.000 0.000 0.290 575 L C -2.808 174.024 176.870 -0.064 0.000 1.044 575 L CA -2.179 52.621 54.840 -0.066 0.000 0.810 575 L CB 0.774 42.779 42.059 -0.090 0.000 1.193 575 L HN -0.083 nan 8.230 nan 0.000 0.425 576 P HA 0.093 nan 4.420 nan 0.000 0.268 576 P C 0.965 178.254 177.300 -0.018 0.000 1.205 576 P CA -0.151 62.942 63.100 -0.012 0.000 0.771 576 P CB 0.690 32.403 31.700 0.021 0.000 0.858 577 L N 1.157 122.357 121.223 -0.037 0.000 2.081 577 L HA -0.240 4.100 4.340 0.000 0.000 0.212 577 L C 1.599 178.501 176.870 0.054 0.000 1.080 577 L CA 1.630 56.407 54.840 -0.106 0.000 0.754 577 L CB -0.617 41.191 42.059 -0.419 0.000 0.893 577 L HN 0.400 nan 8.230 nan 0.000 0.433 578 D N -0.212 120.303 120.400 0.192 0.000 2.178 578 D HA -0.149 4.491 4.640 0.000 0.000 0.202 578 D C 2.132 178.522 176.300 0.150 0.000 0.974 578 D CA 1.017 55.178 54.000 0.268 0.000 0.841 578 D CB 0.020 40.973 40.800 0.255 0.000 0.953 578 D HN 0.450 nan 8.370 nan 0.000 0.478 579 E N 0.076 120.318 120.200 0.070 0.000 2.107 579 E HA -0.110 4.241 4.350 0.000 0.000 0.191 579 E C 2.085 178.690 176.600 0.009 0.000 0.982 579 E CA 0.158 56.572 56.400 0.023 0.000 0.809 579 E CB -0.008 29.689 29.700 -0.005 0.000 0.756 579 E HN 0.116 nan 8.360 nan 0.000 0.459 580 L N 1.138 122.359 121.223 -0.003 0.000 2.046 580 L HA -0.113 4.227 4.340 0.000 0.000 0.208 580 L C 1.988 178.913 176.870 0.093 0.000 1.077 580 L CA 1.363 56.192 54.840 -0.018 0.000 0.747 580 L CB -0.035 41.955 42.059 -0.116 0.000 0.896 580 L HN 0.090 nan 8.230 nan 0.000 0.432 581 V N -2.391 117.589 119.914 0.111 0.000 3.249 581 V HA 0.545 4.666 4.120 0.000 0.000 0.338 581 V C 1.009 177.133 176.094 0.049 0.000 1.363 581 V CA -0.313 62.075 62.300 0.146 0.000 1.205 581 V CB -1.515 30.404 31.823 0.160 0.000 1.164 581 V HN 0.344 nan 8.190 nan 0.000 0.458 582 A N 1.171 123.990 122.820 -0.002 0.000 2.531 582 A HA 0.250 4.570 4.320 0.000 0.000 0.236 582 A C 0.256 177.685 177.584 -0.258 0.000 1.062 582 A CA 0.418 52.422 52.037 -0.055 0.000 0.760 582 A CB -0.117 18.858 19.000 -0.043 0.000 0.995 582 A HN 0.718 nan 8.150 nan 0.000 0.501 583 D N 2.302 122.578 120.400 -0.207 0.000 2.383 583 D HA 0.295 4.936 4.640 0.000 0.000 0.252 583 D C -1.620 174.574 176.300 -0.176 0.000 1.166 583 D CA -1.233 52.601 54.000 -0.276 0.000 0.879 583 D CB 0.917 41.690 40.800 -0.046 0.000 1.164 583 D HN 0.158 nan 8.370 nan 0.000 0.462 584 P HA -0.135 nan 4.420 nan 0.000 0.217 584 P C 1.395 178.687 177.300 -0.013 0.000 1.150 584 P CA 0.430 63.486 63.100 -0.073 0.000 0.832 584 P CB 0.216 31.896 31.700 -0.033 0.000 0.787 585 V N -0.442 119.475 119.914 0.005 0.000 2.343 585 V HA -0.227 3.893 4.120 0.000 0.000 0.247 585 V C 2.274 178.374 176.094 0.010 0.000 1.051 585 V CA 2.513 64.825 62.300 0.019 0.000 1.036 585 V CB -1.824 30.015 31.823 0.026 0.000 0.654 585 V HN 0.190 nan 8.190 nan 0.000 0.451 586 T N 0.256 114.807 114.554 -0.005 0.000 2.857 586 T HA -0.060 4.290 4.350 0.000 0.000 0.266 586 T C 2.095 176.788 174.700 -0.011 0.000 1.048 586 T CA 1.343 63.437 62.100 -0.010 0.000 1.139 586 T CB -0.366 68.489 68.868 -0.021 0.000 0.874 586 T HN 0.555 nan 8.240 nan 0.000 0.455 587 A N 1.148 123.956 122.820 -0.021 0.000 1.883 587 A HA -0.087 4.234 4.320 0.000 0.000 0.217 587 A C 2.564 180.154 177.584 0.010 0.000 1.186 587 A CA 1.491 53.516 52.037 -0.020 0.000 0.624 587 A CB -1.104 17.870 19.000 -0.043 0.000 0.822 587 A HN 0.353 nan 8.150 nan 0.000 0.444 588 V N 0.168 120.108 119.914 0.042 0.000 2.407 588 V HA -0.254 3.866 4.120 0.000 0.000 0.248 588 V C 2.392 178.526 176.094 0.067 0.000 1.055 588 V CA 2.247 64.609 62.300 0.103 0.000 1.049 588 V CB -0.810 31.095 31.823 0.138 0.000 0.662 588 V HN 0.648 nan 8.190 nan 0.000 0.455 589 E N -0.204 120.017 120.200 0.034 0.000 2.106 589 E HA -0.200 4.150 4.350 0.000 0.000 0.192 589 E C 2.273 178.883 176.600 0.017 0.000 0.984 589 E CA 0.919 57.331 56.400 0.021 0.000 0.806 589 E CB -0.121 29.586 29.700 0.011 0.000 0.750 589 E HN 0.578 nan 8.360 nan 0.000 0.458 590 K N 0.832 121.239 120.400 0.010 0.000 2.002 590 K HA -0.135 4.185 4.320 0.000 0.000 0.209 590 K C 2.294 178.899 176.600 0.009 0.000 1.048 590 K CA 1.015 57.304 56.287 0.003 0.000 0.930 590 K CB -0.271 32.224 32.500 -0.008 0.000 0.714 590 K HN 0.092 nan 8.250 nan 0.000 0.438 591 L N 0.682 121.915 121.223 0.017 0.000 2.043 591 L HA -0.267 4.073 4.340 0.000 0.000 0.212 591 L C 2.589 179.482 176.870 0.037 0.000 1.075 591 L CA 1.396 56.252 54.840 0.026 0.000 0.752 591 L CB -0.593 41.495 42.059 0.048 0.000 0.891 591 L HN 0.273 nan 8.230 nan 0.000 0.432 592 A N -1.272 121.574 122.820 0.045 0.000 1.972 592 A HA -0.239 4.082 4.320 0.000 0.000 0.219 592 A C 2.277 179.875 177.584 0.024 0.000 1.169 592 A CA 1.502 53.561 52.037 0.038 0.000 0.635 592 A CB -0.431 18.587 19.000 0.031 0.000 0.810 592 A HN 0.440 nan 8.150 nan 0.000 0.446 593 Q N -0.515 119.295 119.800 0.017 0.000 2.083 593 Q HA -0.188 4.152 4.340 0.000 0.000 0.198 593 Q C 2.211 178.217 176.000 0.009 0.000 0.969 593 Q CA 1.853 57.662 55.803 0.010 0.000 0.838 593 Q CB -0.195 28.547 28.738 0.006 0.000 0.900 593 Q HN 0.870 nan 8.270 nan 0.000 0.436 594 Q N -0.115 119.690 119.800 0.009 0.000 2.172 594 Q HA -0.119 4.221 4.340 0.000 0.000 0.200 594 Q C 0.988 176.993 176.000 0.010 0.000 0.964 594 Q CA 1.219 57.026 55.803 0.006 0.000 0.855 594 Q CB 0.248 28.986 28.738 0.000 0.000 0.918 594 Q HN 0.389 nan 8.270 nan 0.000 0.444 595 E N -1.805 118.405 120.200 0.017 0.000 2.431 595 E HA 0.140 4.490 4.350 0.000 0.000 0.200 595 E C 0.771 177.385 176.600 0.024 0.000 0.995 595 E CA 0.395 56.808 56.400 0.021 0.000 0.915 595 E CB 1.002 30.721 29.700 0.031 0.000 0.930 595 E HN 0.548 nan 8.360 nan 0.000 0.496 596 G N 1.946 110.759 108.800 0.021 0.000 2.213 596 G HA2 -0.265 3.695 3.960 0.000 0.000 0.226 596 G HA3 -0.265 3.695 3.960 0.000 0.000 0.226 596 G C 0.151 175.064 174.900 0.021 0.000 0.992 596 G CA 0.390 45.502 45.100 0.019 0.000 0.632 596 G HN 0.341 nan 8.290 nan 0.000 0.511 597 Q N -0.877 118.939 119.800 0.027 0.000 2.633 597 Q HA 0.619 4.960 4.340 0.000 0.000 0.289 597 Q C -1.139 174.879 176.000 0.030 0.000 0.940 597 Q CA -0.504 55.314 55.803 0.025 0.000 0.785 597 Q CB 0.468 29.220 28.738 0.023 0.000 1.467 597 Q HN 0.118 nan 8.270 nan 0.000 0.401 598 T N 0.954 115.517 114.554 0.014 0.000 2.832 598 T HA 0.518 4.868 4.350 0.000 0.000 0.296 598 T C 0.781 175.460 174.700 -0.035 0.000 0.968 598 T CA 0.855 62.955 62.100 -0.000 0.000 1.107 598 T CB 0.668 69.525 68.868 -0.018 0.000 0.916 598 T HN 1.226 nan 8.240 nan 0.000 0.517 599 G N 3.079 111.840 108.800 -0.064 0.000 2.225 599 G HA2 -0.206 3.755 3.960 0.000 0.000 0.264 599 G HA3 -0.206 3.755 3.960 0.000 0.000 0.264 599 G C 0.056 174.938 174.900 -0.029 0.000 1.060 599 G CA -0.444 44.473 45.100 -0.305 0.000 0.833 599 G HN 0.688 nan 8.290 nan 0.000 0.498 600 L N 0.268 121.585 121.223 0.156 0.000 2.461 600 L HA 0.277 4.617 4.340 0.000 0.000 0.272 600 L C -1.193 175.866 176.870 0.315 0.000 1.197 600 L CA -1.775 53.175 54.840 0.183 0.000 0.836 600 L CB 0.478 42.618 42.059 0.135 0.000 1.105 600 L HN -0.001 nan 8.230 nan 0.000 0.477 601 P HA -0.069 nan 4.420 nan 0.000 0.270 601 P C -0.435 177.020 177.300 0.258 0.000 1.227 601 P CA -0.152 63.138 63.100 0.316 0.000 0.788 601 P CB 0.239 32.094 31.700 0.258 0.000 0.926 602 H N 3.025 122.182 119.070 0.146 0.000 3.034 602 H HA -0.021 4.535 4.556 0.000 0.000 0.324 602 H C -1.412 173.963 175.328 0.078 0.000 1.015 602 H CA -0.948 55.145 56.048 0.075 0.000 1.429 602 H CB 0.209 30.012 29.762 0.068 0.000 1.429 602 H HN 0.228 nan 8.280 nan 0.000 0.585 603 P HA -0.129 nan 4.420 nan 0.000 0.216 603 P C 0.701 178.148 177.300 0.244 0.000 1.150 603 P CA 1.810 65.001 63.100 0.152 0.000 0.843 603 P CB 0.246 31.974 31.700 0.047 0.000 0.787 604 K N -0.973 119.700 120.400 0.456 0.000 2.444 604 K HA 0.158 4.478 4.320 0.000 0.000 0.193 604 K C 0.434 177.091 176.600 0.095 0.000 1.024 604 K CA 0.296 56.714 56.287 0.218 0.000 1.077 604 K CB 0.048 32.645 32.500 0.161 0.000 0.833 604 K HN 0.234 nan 8.250 nan 0.000 0.517 605 I N 2.459 123.109 120.570 0.134 0.000 2.668 605 I HA 0.214 4.384 4.170 0.000 0.000 0.276 605 I C -2.551 173.664 176.117 0.164 0.000 1.139 605 I CA -2.318 59.020 61.300 0.064 0.000 1.133 605 I CB 0.840 38.794 38.000 -0.077 0.000 1.327 605 I HN -0.207 nan 8.210 nan 0.000 0.520 606 P HA 0.141 nan 4.420 nan 0.000 0.271 606 P C -0.031 177.419 177.300 0.250 0.000 1.233 606 P CA -0.314 62.890 63.100 0.173 0.000 0.789 606 P CB 0.652 32.418 31.700 0.110 0.000 0.951 607 L N 2.606 123.928 121.223 0.164 0.000 2.514 607 L HA -0.008 4.332 4.340 0.000 0.000 0.280 607 L C -1.084 175.756 176.870 -0.050 0.000 1.223 607 L CA -0.967 53.896 54.840 0.038 0.000 0.864 607 L CB -0.289 41.763 42.059 -0.012 0.000 1.118 607 L HN 0.372 nan 8.230 nan 0.000 0.494 608 P HA -0.188 nan 4.420 nan 0.000 0.217 608 P C 0.812 178.055 177.300 -0.095 0.000 1.151 608 P CA 1.513 64.505 63.100 -0.179 0.000 0.849 608 P CB 0.094 31.607 31.700 -0.312 0.000 0.787 609 R N -0.868 119.575 120.500 -0.095 0.000 2.340 609 R HA 0.076 4.417 4.340 0.000 0.000 0.215 609 R C -0.037 176.246 176.300 -0.029 0.000 1.017 609 R CA 0.250 56.314 56.100 -0.060 0.000 1.111 609 R CB -0.321 29.941 30.300 -0.064 0.000 1.049 609 R HN 0.307 nan 8.270 nan 0.000 0.490 610 D N 0.000 120.393 120.400 -0.013 0.000 6.856 610 D HA 0.000 4.640 4.640 0.000 0.000 0.175 610 D CA 0.000 54.005 54.000 0.008 0.000 0.868 610 D CB 0.000 40.815 40.800 0.024 0.000 0.688 610 D HN 0.000 nan 8.370 nan 0.000 0.683