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 1tj0_1_A DATA FIRST_RESID 88 DATA SEQUENCE QSVSRAAITA AYRRPETEAV SMLLEQARLP QPVAEQAHKL AYQLADKLRN DATA SEQUENCE QKNASGRAGM VQGLLQEFSL SSQEGVALMC LAEALLRIPD KATRDALIRD DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXPLIRKG 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 RIYAPVGTHE 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 0.000 175.996 176.000 -0.007 0.000 1.003 88 Q CA 0.000 55.787 55.803 -0.027 0.000 1.022 88 Q CB 0.000 28.714 28.738 -0.039 0.000 1.108 89 S N -0.857 114.849 115.700 0.009 0.000 2.598 89 S HA 0.294 4.764 4.470 0.000 0.000 0.256 89 S C 1.168 175.788 174.600 0.033 0.000 1.350 89 S CA 0.023 58.241 58.200 0.031 0.000 0.984 89 S CB 0.648 63.889 63.200 0.069 0.000 0.930 89 S HN 0.704 nan 8.310 nan 0.000 0.577 90 V N 1.767 121.704 119.914 0.038 0.000 2.287 90 V HA -0.199 3.921 4.120 0.000 0.000 0.248 90 V C 3.043 179.167 176.094 0.051 0.000 1.053 90 V CA 2.493 64.815 62.300 0.037 0.000 1.027 90 V CB -1.612 30.231 31.823 0.033 0.000 0.646 90 V HN 1.078 nan 8.190 nan 0.000 0.447 91 S N -0.144 115.607 115.700 0.084 0.000 2.383 91 S HA -0.166 4.304 4.470 0.000 0.000 0.227 91 S C 2.086 176.740 174.600 0.089 0.000 1.026 91 S CA 0.762 59.032 58.200 0.117 0.000 0.981 91 S CB -0.411 62.904 63.200 0.191 0.000 0.818 91 S HN 0.433 nan 8.310 nan 0.000 0.472 92 R N 1.705 122.239 120.500 0.057 0.000 2.096 92 R HA 0.153 4.493 4.340 0.000 0.000 0.235 92 R C 2.675 178.951 176.300 -0.041 0.000 1.127 92 R CA 1.363 57.431 56.100 -0.053 0.000 0.968 92 R CB -1.350 28.900 30.300 -0.083 0.000 0.861 92 R HN 0.607 nan 8.270 nan 0.000 0.440 93 A N 0.903 123.718 122.820 -0.010 0.000 1.930 93 A HA -0.031 4.289 4.320 0.000 0.000 0.217 93 A C 2.331 179.919 177.584 0.006 0.000 1.175 93 A CA 1.616 53.650 52.037 -0.004 0.000 0.627 93 A CB -0.420 18.582 19.000 0.003 0.000 0.815 93 A HN 0.337 nan 8.150 nan 0.000 0.443 94 A N -0.132 122.698 122.820 0.017 0.000 1.969 94 A HA -0.013 4.307 4.320 0.000 0.000 0.218 94 A C 2.080 179.677 177.584 0.022 0.000 1.169 94 A CA 1.322 53.375 52.037 0.027 0.000 0.635 94 A CB -0.531 18.492 19.000 0.038 0.000 0.810 94 A HN 0.492 nan 8.150 nan 0.000 0.445 95 I N -0.645 119.927 120.570 0.004 0.000 2.113 95 I HA -0.245 3.925 4.170 0.000 0.000 0.238 95 I C 2.644 178.742 176.117 -0.033 0.000 1.070 95 I CA 1.851 63.138 61.300 -0.022 0.000 1.332 95 I CB -0.769 37.188 38.000 -0.071 0.000 1.044 95 I HN 0.233 nan 8.210 nan 0.000 0.402 96 T N 0.776 115.308 114.554 -0.036 0.000 2.685 96 T HA -0.255 4.095 4.350 0.000 0.000 0.268 96 T C 1.877 176.618 174.700 0.070 0.000 1.034 96 T CA 1.731 63.832 62.100 0.002 0.000 1.149 96 T CB -0.351 68.518 68.868 0.001 0.000 0.860 96 T HN 0.521 nan 8.240 nan 0.000 0.449 97 A N 0.656 123.505 122.820 0.048 0.000 2.066 97 A HA 0.392 4.713 4.320 0.000 0.000 0.218 97 A C 2.366 179.993 177.584 0.071 0.000 1.157 97 A CA 1.351 53.421 52.037 0.055 0.000 0.670 97 A CB -0.526 18.495 19.000 0.036 0.000 0.804 97 A HN 0.500 nan 8.150 nan 0.000 0.453 98 A N -2.213 120.651 122.820 0.073 0.000 2.218 98 A HA 0.176 4.496 4.320 0.000 0.000 0.209 98 A C 1.603 179.264 177.584 0.128 0.000 1.168 98 A CA 0.394 52.480 52.037 0.082 0.000 0.804 98 A CB -0.717 18.323 19.000 0.066 0.000 0.834 98 A HN 0.629 nan 8.150 nan 0.000 0.482 99 Y N 0.666 120.963 120.300 -0.005 0.000 2.003 99 Y HA -0.345 4.206 4.550 0.001 0.000 0.261 99 Y C 1.437 177.320 175.900 -0.029 0.000 1.211 99 Y CA 1.895 59.986 58.100 -0.016 0.000 1.098 99 Y CB 0.075 38.521 38.460 -0.023 0.000 0.925 99 Y HN 0.285 nan 8.280 nan 0.000 0.498 100 R N 0.343 120.937 120.500 0.156 0.000 2.776 100 R HA 0.166 4.506 4.340 0.000 0.000 0.391 100 R C -0.628 175.686 176.300 0.023 0.000 1.116 100 R CA -0.389 55.726 56.100 0.026 0.000 1.056 100 R CB 0.425 30.655 30.300 -0.117 0.000 1.369 100 R HN 0.266 nan 8.270 nan 0.000 0.590 101 R N 0.493 121.022 120.500 0.048 0.000 2.679 101 R HA 0.184 4.524 4.340 0.000 0.000 0.268 101 R C -2.315 174.016 176.300 0.052 0.000 1.044 101 R CA -1.323 54.804 56.100 0.045 0.000 1.105 101 R CB -0.256 30.077 30.300 0.056 0.000 0.989 101 R HN -0.205 nan 8.270 nan 0.000 0.447 102 P HA -0.097 nan 4.420 nan 0.000 0.264 102 P C -0.164 177.193 177.300 0.094 0.000 1.179 102 P CA 0.274 63.416 63.100 0.071 0.000 0.763 102 P CB 0.555 32.287 31.700 0.054 0.000 0.806 103 E N 0.963 121.241 120.200 0.130 0.000 2.106 103 E HA -0.153 4.197 4.350 0.000 0.000 0.192 103 E C 1.675 178.315 176.600 0.066 0.000 0.984 103 E CA 1.836 58.336 56.400 0.166 0.000 0.806 103 E CB -0.280 29.576 29.700 0.260 0.000 0.750 103 E HN 0.638 nan 8.360 nan 0.000 0.458 104 T N -0.551 114.033 114.554 0.050 0.000 2.684 104 T HA -0.233 4.117 4.350 0.000 0.000 0.267 104 T C 1.862 176.559 174.700 -0.004 0.000 1.036 104 T CA 1.475 63.577 62.100 0.003 0.000 1.148 104 T CB -0.294 68.589 68.868 0.025 0.000 0.863 104 T HN 0.152 nan 8.240 nan 0.000 0.436 105 E N 1.410 121.626 120.200 0.027 0.000 2.051 105 E HA -0.071 4.279 4.350 0.000 0.000 0.192 105 E C 2.503 179.127 176.600 0.040 0.000 0.991 105 E CA 1.014 57.432 56.400 0.030 0.000 0.799 105 E CB -0.380 29.344 29.700 0.040 0.000 0.748 105 E HN 0.637 nan 8.360 nan 0.000 0.449 106 A N 0.314 123.181 122.820 0.080 0.000 1.897 106 A HA -0.098 4.222 4.320 0.000 0.000 0.215 106 A C 2.369 180.004 177.584 0.086 0.000 1.181 106 A CA 1.196 53.315 52.037 0.136 0.000 0.620 106 A CB -0.511 18.644 19.000 0.259 0.000 0.821 106 A HN 0.208 nan 8.150 nan 0.000 0.443 107 V N -0.051 119.855 119.914 -0.012 0.000 2.358 107 V HA -0.198 3.922 4.120 0.000 0.000 0.246 107 V C 2.746 178.763 176.094 -0.128 0.000 1.047 107 V CA 2.242 64.422 62.300 -0.200 0.000 1.035 107 V CB -0.793 30.709 31.823 -0.535 0.000 0.658 107 V HN 0.537 nan 8.190 nan 0.000 0.452 108 S N -0.308 115.343 115.700 -0.081 0.000 2.382 108 S HA -0.189 4.281 4.470 0.000 0.000 0.228 108 S C 1.927 176.514 174.600 -0.021 0.000 1.027 108 S CA 1.810 59.981 58.200 -0.047 0.000 0.991 108 S CB -0.343 62.842 63.200 -0.025 0.000 0.823 108 S HN 0.496 nan 8.310 nan 0.000 0.469 109 M N 0.580 120.178 119.600 -0.002 0.000 2.229 109 M HA 0.034 4.514 4.480 0.000 0.000 0.264 109 M C 1.631 177.940 176.300 0.014 0.000 1.063 109 M CA 1.137 56.445 55.300 0.014 0.000 1.114 109 M CB -0.383 32.238 32.600 0.034 0.000 1.387 109 M HN 0.232 nan 8.290 nan 0.000 0.420 110 L N -0.633 120.593 121.223 0.005 0.000 2.313 110 L HA -0.091 4.249 4.340 0.000 0.000 0.214 110 L C 2.249 179.115 176.870 -0.006 0.000 1.119 110 L CA 0.298 55.141 54.840 0.005 0.000 0.809 110 L CB -0.457 41.597 42.059 -0.010 0.000 0.933 110 L HN 0.336 nan 8.230 nan 0.000 0.449 111 L N -0.097 121.114 121.223 -0.020 0.000 1.994 111 L HA -0.187 4.153 4.340 0.000 0.000 0.208 111 L C 2.610 179.478 176.870 -0.003 0.000 1.071 111 L CA 1.436 56.265 54.840 -0.019 0.000 0.745 111 L CB -0.241 41.802 42.059 -0.027 0.000 0.892 111 L HN 0.332 nan 8.230 nan 0.000 0.431 112 E N -0.315 119.885 120.200 -0.000 0.000 2.274 112 E HA -0.166 4.184 4.350 0.000 0.000 0.194 112 E C 2.054 178.659 176.600 0.008 0.000 0.996 112 E CA 0.634 57.037 56.400 0.004 0.000 0.840 112 E CB -0.043 29.659 29.700 0.004 0.000 0.772 112 E HN 0.627 nan 8.360 nan 0.000 0.491 113 Q N 0.008 119.814 119.800 0.010 0.000 2.172 113 Q HA 0.037 4.378 4.340 0.000 0.000 0.200 113 Q C 1.867 177.876 176.000 0.015 0.000 0.964 113 Q CA 1.238 57.049 55.803 0.013 0.000 0.855 113 Q CB 0.021 28.770 28.738 0.019 0.000 0.918 113 Q HN 0.162 nan 8.270 nan 0.000 0.444 114 A N 1.070 123.900 122.820 0.017 0.000 2.178 114 A HA 0.004 4.325 4.320 0.000 0.000 0.211 114 A C 1.036 178.637 177.584 0.028 0.000 1.157 114 A CA -0.250 51.803 52.037 0.026 0.000 0.780 114 A CB -0.047 18.971 19.000 0.030 0.000 0.828 114 A HN 0.090 nan 8.150 nan 0.000 0.476 115 R N 0.608 121.120 120.500 0.020 0.000 2.370 115 R HA 0.286 4.626 4.340 0.000 0.000 0.309 115 R C -1.191 175.124 176.300 0.024 0.000 1.059 115 R CA -0.416 55.698 56.100 0.023 0.000 0.981 115 R CB 0.060 30.369 30.300 0.015 0.000 0.972 115 R HN 0.168 nan 8.270 nan 0.000 0.437 116 L N 7.958 129.202 121.223 0.035 0.000 2.360 116 L HA 0.247 4.587 4.340 0.000 0.000 0.276 116 L C -1.832 175.052 176.870 0.023 0.000 1.121 116 L CA -1.500 53.358 54.840 0.030 0.000 0.845 116 L CB 0.736 42.824 42.059 0.049 0.000 1.143 116 L HN 0.619 nan 8.230 nan 0.000 0.452 117 P HA 0.082 nan 4.420 nan 0.000 0.266 117 P C 0.724 178.033 177.300 0.015 0.000 1.195 117 P CA 0.318 63.425 63.100 0.012 0.000 0.768 117 P CB 0.435 32.140 31.700 0.008 0.000 0.838 118 Q N 5.436 125.242 119.800 0.011 0.000 2.062 118 Q HA -0.257 4.083 4.340 0.000 0.000 0.216 118 Q C -0.529 175.479 176.000 0.013 0.000 1.052 118 Q CA 3.187 58.995 55.803 0.009 0.000 0.910 118 Q CB -3.445 nan 28.738 nan 0.000 1.043 118 Q HN 0.571 nan 8.270 nan 0.000 0.425 119 P HA -0.083 nan 4.420 nan 0.000 0.216 119 P C 1.603 178.918 177.300 0.026 0.000 1.153 119 P CA 1.649 64.759 63.100 0.017 0.000 0.848 119 P CB -0.379 31.330 31.700 0.014 0.000 0.787 120 V N 0.840 120.768 119.914 0.024 0.000 2.343 120 V HA -0.235 3.886 4.120 0.000 0.000 0.247 120 V C 2.830 178.949 176.094 0.041 0.000 1.051 120 V CA 2.108 64.425 62.300 0.028 0.000 1.036 120 V CB -1.805 30.027 31.823 0.014 0.000 0.654 120 V HN 0.107 nan 8.190 nan 0.000 0.451 121 A N 1.079 123.926 122.820 0.045 0.000 1.883 121 A HA -0.252 4.068 4.320 0.000 0.000 0.217 121 A C 2.457 180.097 177.584 0.093 0.000 1.186 121 A CA 2.418 54.498 52.037 0.072 0.000 0.624 121 A CB -0.640 18.394 19.000 0.057 0.000 0.822 121 A HN 0.723 nan 8.150 nan 0.000 0.444 122 E N -1.274 118.964 120.200 0.063 0.000 2.107 122 E HA -0.171 4.179 4.350 0.000 0.000 0.191 122 E C 1.890 178.547 176.600 0.094 0.000 0.982 122 E CA 1.172 57.612 56.400 0.068 0.000 0.809 122 E CB -0.815 28.898 29.700 0.022 0.000 0.756 122 E HN 0.686 nan 8.360 nan 0.000 0.459 123 Q N 0.128 119.971 119.800 0.072 0.000 2.167 123 Q HA 0.171 4.512 4.340 0.000 0.000 0.202 123 Q C 2.404 178.448 176.000 0.073 0.000 0.970 123 Q CA 1.708 57.555 55.803 0.072 0.000 0.855 123 Q CB -0.617 28.164 28.738 0.071 0.000 0.911 123 Q HN 0.641 nan 8.270 nan 0.000 0.438 124 A N -0.241 122.621 122.820 0.069 0.000 1.872 124 A HA -0.201 4.119 4.320 0.000 0.000 0.214 124 A C 1.942 179.553 177.584 0.044 0.000 1.187 124 A CA 1.698 53.744 52.037 0.015 0.000 0.614 124 A CB -0.803 18.175 19.000 -0.036 0.000 0.826 124 A HN 0.472 nan 8.150 nan 0.000 0.442 125 H N -0.207 118.894 119.070 0.052 0.000 2.319 125 H HA -0.124 4.432 4.556 0.000 0.000 0.299 125 H C 2.118 177.499 175.328 0.088 0.000 1.092 125 H CA 2.305 58.414 56.048 0.101 0.000 1.302 125 H CB -0.067 29.748 29.762 0.089 0.000 1.373 125 H HN 0.431 nan 8.280 nan 0.000 0.497 126 K N -0.411 120.078 120.400 0.148 0.000 2.009 126 K HA -0.158 4.162 4.320 0.000 0.000 0.210 126 K C 2.181 178.797 176.600 0.026 0.000 1.049 126 K CA 1.469 57.801 56.287 0.076 0.000 0.929 126 K CB -0.275 32.261 32.500 0.061 0.000 0.714 126 K HN 0.260 nan 8.250 nan 0.000 0.440 127 L N 0.806 122.022 121.223 -0.013 0.000 2.046 127 L HA -0.109 4.231 4.340 0.000 0.000 0.208 127 L C 2.109 178.917 176.870 -0.103 0.000 1.077 127 L CA 2.050 56.842 54.840 -0.081 0.000 0.747 127 L CB -0.710 41.263 42.059 -0.144 0.000 0.896 127 L HN 0.193 nan 8.230 nan 0.000 0.432 128 A N -1.282 121.477 122.820 -0.103 0.000 1.877 128 A HA -0.301 4.019 4.320 0.000 0.000 0.216 128 A C 2.335 179.874 177.584 -0.076 0.000 1.186 128 A CA 1.902 53.871 52.037 -0.113 0.000 0.620 128 A CB -1.307 17.646 19.000 -0.078 0.000 0.822 128 A HN 0.642 nan 8.150 nan 0.000 0.443 129 Y N 0.657 120.832 120.300 -0.209 0.000 2.128 129 Y HA -0.315 4.235 4.550 0.000 0.000 0.284 129 Y C 2.656 178.492 175.900 -0.105 0.000 1.154 129 Y CA 2.491 60.485 58.100 -0.177 0.000 1.149 129 Y CB -0.308 38.023 38.460 -0.214 0.000 0.976 129 Y HN 0.456 nan 8.280 nan 0.000 0.505 130 Q N -0.091 119.788 119.800 0.131 0.000 2.084 130 Q HA -0.199 4.141 4.340 0.000 0.000 0.202 130 Q C 2.284 178.249 176.000 -0.059 0.000 0.978 130 Q CA 1.993 57.830 55.803 0.056 0.000 0.844 130 Q CB -0.281 28.473 28.738 0.026 0.000 0.898 130 Q HN 0.521 nan 8.270 nan 0.000 0.426 131 L N 0.157 121.319 121.223 -0.102 0.000 2.027 131 L HA -0.158 4.182 4.340 0.000 0.000 0.206 131 L C 2.535 179.339 176.870 -0.110 0.000 1.074 131 L CA 1.076 55.835 54.840 -0.134 0.000 0.745 131 L CB -0.579 41.362 42.059 -0.198 0.000 0.898 131 L HN 0.203 nan 8.230 nan 0.000 0.433 132 A N -0.528 122.230 122.820 -0.102 0.000 1.930 132 A HA -0.244 4.076 4.320 0.000 0.000 0.217 132 A C 2.006 179.486 177.584 -0.173 0.000 1.175 132 A CA 1.858 53.850 52.037 -0.076 0.000 0.627 132 A CB -0.520 18.442 19.000 -0.064 0.000 0.815 132 A HN 0.416 nan 8.150 nan 0.000 0.443 133 D N -0.122 120.130 120.400 -0.247 0.000 2.078 133 D HA -0.147 4.493 4.640 0.000 0.000 0.193 133 D C 1.881 178.110 176.300 -0.120 0.000 0.990 133 D CA 1.570 55.434 54.000 -0.227 0.000 0.827 133 D CB -0.229 40.439 40.800 -0.220 0.000 0.975 133 D HN 0.410 nan 8.370 nan 0.000 0.451 134 K N -0.410 119.938 120.400 -0.087 0.000 2.074 134 K HA -0.172 4.148 4.320 0.000 0.000 0.209 134 K C 2.019 178.581 176.600 -0.064 0.000 1.048 134 K CA 0.855 57.105 56.287 -0.062 0.000 0.926 134 K CB -0.230 32.236 32.500 -0.056 0.000 0.713 134 K HN 0.124 nan 8.250 nan 0.000 0.444 135 L N 1.380 122.560 121.223 -0.072 0.000 2.005 135 L HA -0.131 4.209 4.340 0.000 0.000 0.207 135 L C 2.302 179.132 176.870 -0.065 0.000 1.072 135 L CA 1.705 56.510 54.840 -0.059 0.000 0.744 135 L CB -0.548 41.487 42.059 -0.039 0.000 0.895 135 L HN 0.050 nan 8.230 nan 0.000 0.433 136 R N -0.378 120.069 120.500 -0.089 0.000 2.096 136 R HA -0.111 4.230 4.340 0.000 0.000 0.235 136 R C 0.793 177.044 176.300 -0.080 0.000 1.127 136 R CA 1.882 57.922 56.100 -0.101 0.000 0.968 136 R CB -0.185 30.033 30.300 -0.137 0.000 0.861 136 R HN 0.566 nan 8.270 nan 0.000 0.440 137 N N 0.198 118.854 118.700 -0.074 0.000 2.328 137 N HA 0.022 4.762 4.740 0.000 0.000 0.247 137 N C 0.549 176.033 175.510 -0.044 0.000 1.165 137 N CA -0.315 52.701 53.050 -0.057 0.000 0.873 137 N CB 0.810 39.262 38.487 -0.057 0.000 1.125 137 N HN 0.219 nan 8.380 nan 0.000 0.513 138 Q N 1.492 121.266 119.800 -0.044 0.000 2.029 138 Q HA -0.118 4.222 4.340 0.000 0.000 0.209 138 Q C 0.262 176.246 176.000 -0.027 0.000 0.999 138 Q CA 1.593 57.376 55.803 -0.033 0.000 0.857 138 Q CB 0.207 28.925 28.738 -0.033 0.000 0.926 138 Q HN 0.198 nan 8.270 nan 0.000 0.415 139 K N 0.316 120.699 120.400 -0.029 0.000 3.109 139 K HA 0.137 4.457 4.320 0.000 0.000 0.214 139 K C -0.425 176.160 176.600 -0.025 0.000 1.196 139 K CA -0.035 56.237 56.287 -0.024 0.000 1.115 139 K CB 0.495 32.981 32.500 -0.024 0.000 1.103 139 K HN 0.187 nan 8.250 nan 0.000 0.467 140 N N 0.911 119.595 118.700 -0.026 0.000 2.693 140 N HA -0.282 4.458 4.740 0.000 0.000 0.249 140 N C 0.676 176.168 175.510 -0.029 0.000 1.119 140 N CA 0.732 53.767 53.050 -0.025 0.000 0.717 140 N CB -0.919 37.557 38.487 -0.019 0.000 1.071 140 N HN 0.520 nan 8.380 nan 0.000 0.555 141 A N -1.140 121.658 122.820 -0.036 0.000 1.917 141 A HA -0.178 4.143 4.320 0.000 0.000 0.219 141 A C 2.347 179.908 177.584 -0.040 0.000 1.182 141 A CA 2.224 54.237 52.037 -0.039 0.000 0.633 141 A CB -0.660 18.311 19.000 -0.048 0.000 0.819 141 A HN 0.467 nan 8.150 nan 0.000 0.448 142 S N -0.879 114.795 115.700 -0.043 0.000 2.362 142 S HA 0.067 4.538 4.470 0.000 0.000 0.221 142 S C 2.152 176.735 174.600 -0.028 0.000 1.032 142 S CA 0.795 58.971 58.200 -0.040 0.000 0.973 142 S CB -0.717 62.454 63.200 -0.047 0.000 0.849 142 S HN 0.779 nan 8.310 nan 0.000 0.465 143 G N 1.984 110.770 108.800 -0.023 0.000 2.556 143 G HA2 -0.289 3.672 3.960 0.000 0.000 0.220 143 G HA3 -0.289 3.672 3.960 0.000 0.000 0.220 143 G C 1.487 176.377 174.900 -0.017 0.000 1.156 143 G CA 0.977 46.067 45.100 -0.017 0.000 0.766 143 G HN 0.411 nan 8.290 nan 0.000 0.583 144 R N 0.329 120.818 120.500 -0.020 0.000 2.115 144 R HA 0.199 4.539 4.340 0.000 0.000 0.226 144 R C 3.041 179.329 176.300 -0.020 0.000 1.100 144 R CA 0.894 56.983 56.100 -0.019 0.000 0.980 144 R CB -0.298 29.990 30.300 -0.020 0.000 0.875 144 R HN 0.357 nan 8.270 nan 0.000 0.445 145 A N 0.594 123.400 122.820 -0.023 0.000 1.902 145 A HA -0.096 4.224 4.320 0.000 0.000 0.217 145 A C 2.261 179.834 177.584 -0.020 0.000 1.181 145 A CA 1.771 53.793 52.037 -0.024 0.000 0.623 145 A CB -1.019 nan 19.000 nan 0.000 0.818 145 A HN 0.457 nan 8.150 nan 0.000 0.443 146 G N -1.555 107.235 108.800 -0.018 0.000 2.744 146 G HA2 0.038 3.998 3.960 0.000 0.000 0.211 146 G HA3 0.038 3.998 3.960 0.000 0.000 0.211 146 G C 1.444 176.337 174.900 -0.011 0.000 1.143 146 G CA 0.715 45.807 45.100 -0.014 0.000 0.788 146 G HN 0.450 nan 8.290 nan 0.000 0.534 147 M N -0.166 119.427 119.600 -0.012 0.000 2.216 147 M HA 0.039 4.519 4.480 0.000 0.000 0.264 147 M C 2.592 178.886 176.300 -0.011 0.000 1.080 147 M CA 0.730 56.024 55.300 -0.010 0.000 1.153 147 M CB -0.172 32.421 32.600 -0.010 0.000 1.356 147 M HN 0.065 nan 8.290 nan 0.000 0.432 148 V N 0.633 120.539 119.914 -0.012 0.000 2.407 148 V HA -0.251 3.869 4.120 0.000 0.000 0.248 148 V C 2.479 178.566 176.094 -0.012 0.000 1.055 148 V CA 1.578 63.871 62.300 -0.012 0.000 1.049 148 V CB -0.686 31.129 31.823 -0.014 0.000 0.662 148 V HN 0.488 nan 8.190 nan 0.000 0.455 149 Q N 0.017 119.810 119.800 -0.012 0.000 2.049 149 Q HA -0.093 4.247 4.340 0.000 0.000 0.198 149 Q C 2.368 178.362 176.000 -0.010 0.000 0.971 149 Q CA 1.798 57.594 55.803 -0.012 0.000 0.833 149 Q CB -0.633 28.097 28.738 -0.013 0.000 0.896 149 Q HN 0.670 nan 8.270 nan 0.000 0.434 150 G N 0.576 109.370 108.800 -0.009 0.000 2.598 150 G HA2 -0.121 3.839 3.960 0.000 0.000 0.215 150 G HA3 -0.121 3.839 3.960 0.000 0.000 0.215 150 G C 1.407 176.303 174.900 -0.007 0.000 1.131 150 G CA 0.269 45.365 45.100 -0.007 0.000 0.785 150 G HN 0.251 nan 8.290 nan 0.000 0.539 151 L N -0.317 120.902 121.223 -0.007 0.000 2.168 151 L HA 0.365 4.706 4.340 0.000 0.000 0.203 151 L C 2.454 179.320 176.870 -0.007 0.000 1.078 151 L CA 0.721 55.556 54.840 -0.007 0.000 0.780 151 L CB -0.091 41.964 42.059 -0.007 0.000 0.939 151 L HN 0.077 nan 8.230 nan 0.000 0.451 152 L N -0.145 121.074 121.223 -0.008 0.000 2.275 152 L HA -0.168 4.173 4.340 0.000 0.000 0.215 152 L C 2.879 179.745 176.870 -0.007 0.000 1.119 152 L CA 1.288 56.124 54.840 -0.007 0.000 0.790 152 L CB -0.926 41.127 42.059 -0.009 0.000 0.919 152 L HN 0.548 nan 8.230 nan 0.000 0.443 153 Q N 0.084 119.880 119.800 -0.007 0.000 2.226 153 Q HA 0.053 4.393 4.340 0.000 0.000 0.199 153 Q C 1.677 177.674 176.000 -0.005 0.000 0.945 153 Q CA 0.930 56.730 55.803 -0.006 0.000 0.861 153 Q CB -0.525 28.209 28.738 -0.006 0.000 0.953 153 Q HN 0.576 nan 8.270 nan 0.000 0.490 154 E N -1.296 118.901 120.200 -0.005 0.000 2.354 154 E HA 0.538 4.888 4.350 0.000 0.000 0.252 154 E C 0.361 176.958 176.600 -0.004 0.000 1.330 154 E CA 0.329 56.726 56.400 -0.005 0.000 1.658 154 E CB -1.450 28.247 29.700 -0.004 0.000 1.460 154 E HN 1.443 nan 8.360 nan 0.000 0.435 155 F N -2.157 117.791 119.950 -0.004 0.000 2.271 155 F HA 0.532 5.060 4.527 0.000 0.000 0.457 155 F C 1.320 177.117 175.800 -0.004 0.000 0.867 155 F CA 0.823 58.820 58.000 -0.004 0.000 0.688 155 F CB -0.767 38.230 39.000 -0.004 0.000 1.295 155 F HN 1.654 nan 8.300 nan 0.000 0.520 156 S N 1.044 116.741 115.700 -0.005 0.000 3.947 156 S HA 0.395 4.866 4.470 0.000 0.000 0.616 156 S C -0.759 173.838 174.600 -0.005 0.000 0.658 156 S CA 0.760 58.957 58.200 -0.005 0.000 1.393 156 S CB -2.150 61.047 63.200 -0.004 0.000 0.805 156 S HN 1.746 nan 8.310 nan 0.000 0.829 157 L N 2.151 123.371 121.223 -0.006 0.000 2.301 157 L HA 0.874 5.214 4.340 0.000 0.000 0.264 157 L C 1.313 178.179 176.870 -0.006 0.000 1.016 157 L CA -0.023 54.814 54.840 -0.006 0.000 0.821 157 L CB 1.463 43.518 42.059 -0.006 0.000 1.346 157 L HN 1.049 nan 8.230 nan 0.000 0.429 158 S N -0.559 115.137 115.700 -0.006 0.000 2.671 158 S HA 0.269 4.739 4.470 0.000 0.000 0.272 158 S C 0.435 175.031 174.600 -0.007 0.000 1.174 158 S CA -0.239 57.957 58.200 -0.007 0.000 1.004 158 S CB 0.882 64.078 63.200 -0.006 0.000 1.077 158 S HN 0.598 nan 8.310 nan 0.000 0.553 159 S N -0.630 115.066 115.700 -0.008 0.000 3.965 159 S HA 0.553 5.023 4.470 0.000 0.000 0.195 159 S C 0.413 175.008 174.600 -0.008 0.000 1.449 159 S CA 0.259 58.454 58.200 -0.009 0.000 0.965 159 S CB -0.686 62.508 63.200 -0.010 0.000 1.459 159 S HN 1.272 nan 8.310 nan 0.000 0.476 160 Q N 0.155 119.951 119.800 -0.007 0.000 2.013 160 Q HA 0.207 4.547 4.340 0.000 0.000 0.158 160 Q C 1.524 177.521 176.000 -0.006 0.000 0.689 160 Q CA 0.808 56.607 55.803 -0.006 0.000 0.835 160 Q CB -1.195 27.540 28.738 -0.006 0.000 1.165 160 Q HN 0.792 nan 8.270 nan 0.000 0.343 161 E N 0.721 120.917 120.200 -0.006 0.000 2.152 161 E HA 0.207 4.557 4.350 0.000 0.000 0.192 161 E C 2.292 178.889 176.600 -0.006 0.000 0.983 161 E CA 2.121 58.518 56.400 -0.005 0.000 0.818 161 E CB -0.837 28.860 29.700 -0.005 0.000 0.758 161 E HN 1.080 nan 8.360 nan 0.000 0.467 162 G N 0.203 108.999 108.800 -0.006 0.000 2.394 162 G HA2 -0.089 3.871 3.960 0.000 0.000 0.214 162 G HA3 -0.089 3.871 3.960 0.000 0.000 0.214 162 G C 1.937 176.833 174.900 -0.007 0.000 1.176 162 G CA 1.075 46.170 45.100 -0.007 0.000 0.786 162 G HN 0.409 nan 8.290 nan 0.000 0.533 163 V N 1.726 121.635 119.914 -0.008 0.000 2.287 163 V HA -0.200 3.920 4.120 0.000 0.000 0.248 163 V C 3.349 179.440 176.094 -0.007 0.000 1.053 163 V CA 2.178 64.474 62.300 -0.008 0.000 1.027 163 V CB -0.839 30.979 31.823 -0.008 0.000 0.646 163 V HN 0.467 nan 8.190 nan 0.000 0.447 164 A N -0.642 122.174 122.820 -0.006 0.000 1.933 164 A HA -0.188 4.132 4.320 0.000 0.000 0.218 164 A C 2.135 179.716 177.584 -0.005 0.000 1.175 164 A CA 2.014 54.048 52.037 -0.005 0.000 0.628 164 A CB -0.498 18.499 19.000 -0.005 0.000 0.814 164 A HN 0.467 nan 8.150 nan 0.000 0.444 165 L N -0.996 120.224 121.223 -0.005 0.000 2.109 165 L HA -0.077 4.264 4.340 0.000 0.000 0.207 165 L C 2.318 179.185 176.870 -0.005 0.000 1.086 165 L CA 1.590 56.427 54.840 -0.005 0.000 0.760 165 L CB -0.404 41.652 42.059 -0.005 0.000 0.910 165 L HN 0.275 nan 8.230 nan 0.000 0.437 166 M N -1.569 118.028 119.600 -0.006 0.000 2.117 166 M HA -0.230 4.250 4.480 0.000 0.000 0.262 166 M C 2.475 178.772 176.300 -0.006 0.000 1.065 166 M CA 1.421 56.717 55.300 -0.006 0.000 1.114 166 M CB -1.805 30.791 32.600 -0.007 0.000 1.361 166 M HN 0.357 nan 8.290 nan 0.000 0.408 167 C N 0.371 119.668 119.300 -0.006 0.000 2.401 167 C HA -0.168 4.292 4.460 0.000 0.000 0.276 167 C C 2.898 177.885 174.990 -0.005 0.000 1.233 167 C CA 0.659 59.674 59.018 -0.005 0.000 1.753 167 C CB -1.258 26.479 27.740 -0.005 0.000 2.029 167 C HN 0.532 nan 8.230 nan 0.000 0.478 168 L N 1.232 122.452 121.223 -0.004 0.000 2.044 168 L HA -0.058 4.282 4.340 0.000 0.000 0.205 168 L C 2.750 179.618 176.870 -0.004 0.000 1.075 168 L CA 2.159 56.996 54.840 -0.004 0.000 0.747 168 L CB -1.133 40.924 42.059 -0.004 0.000 0.903 168 L HN 0.319 nan 8.230 nan 0.000 0.435 169 A N -0.490 122.327 122.820 -0.004 0.000 2.032 169 A HA -0.276 4.044 4.320 0.000 0.000 0.221 169 A C 2.175 179.757 177.584 -0.004 0.000 1.165 169 A CA 1.899 53.934 52.037 -0.004 0.000 0.645 169 A CB -0.538 18.459 19.000 -0.005 0.000 0.807 169 A HN 0.627 nan 8.150 nan 0.000 0.453 170 E N -0.380 119.818 120.200 -0.005 0.000 2.046 170 E HA -0.058 4.292 4.350 0.000 0.000 0.190 170 E C 2.220 178.817 176.600 -0.004 0.000 0.982 170 E CA 0.797 57.194 56.400 -0.005 0.000 0.800 170 E CB -0.198 29.499 29.700 -0.005 0.000 0.756 170 E HN 0.548 nan 8.360 nan 0.000 0.449 171 A N 1.127 123.945 122.820 -0.004 0.000 2.019 171 A HA -0.119 4.201 4.320 0.000 0.000 0.219 171 A C 2.120 179.702 177.584 -0.003 0.000 1.164 171 A CA 0.813 52.848 52.037 -0.003 0.000 0.644 171 A CB -0.417 18.581 19.000 -0.003 0.000 0.805 171 A HN 0.265 nan 8.150 nan 0.000 0.449 172 L N -1.135 120.086 121.223 -0.003 0.000 2.240 172 L HA 0.017 4.358 4.340 0.000 0.000 0.211 172 L C 1.702 178.570 176.870 -0.003 0.000 1.106 172 L CA 0.748 55.586 54.840 -0.003 0.000 0.793 172 L CB -0.361 41.696 42.059 -0.003 0.000 0.927 172 L HN 0.366 nan 8.230 nan 0.000 0.446 173 L N -0.708 120.513 121.223 -0.003 0.000 2.611 173 L HA 0.059 4.399 4.340 0.000 0.000 0.229 173 L C 1.893 178.761 176.870 -0.003 0.000 1.137 173 L CA 0.126 54.964 54.840 -0.003 0.000 0.901 173 L CB -0.133 41.924 42.059 -0.004 0.000 1.098 173 L HN 0.130 nan 8.230 nan 0.000 0.456 174 R N -0.145 120.353 120.500 -0.003 0.000 2.334 174 R HA 0.265 4.605 4.340 0.000 0.000 0.216 174 R C 0.280 176.578 176.300 -0.002 0.000 0.905 174 R CA -0.035 56.063 56.100 -0.003 0.000 1.064 174 R CB 0.436 30.734 30.300 -0.003 0.000 1.046 174 R HN 0.242 nan 8.270 nan 0.000 0.508 175 I N 2.965 123.534 120.570 -0.002 0.000 2.294 175 I HA 0.093 4.263 4.170 0.000 0.000 0.295 175 I C -1.499 174.617 176.117 -0.002 0.000 1.098 175 I CA -1.855 59.443 61.300 -0.002 0.000 1.277 175 I CB 1.122 39.120 38.000 -0.002 0.000 1.434 175 I HN -0.194 nan 8.210 nan 0.000 0.498 176 P HA -0.152 nan 4.420 nan 0.000 0.216 176 P C -0.119 177.181 177.300 -0.001 0.000 1.157 176 P CA 1.461 64.560 63.100 -0.002 0.000 0.880 176 P CB 0.100 31.799 31.700 -0.001 0.000 0.791 177 D N -0.827 119.573 120.400 -0.001 0.000 2.232 177 D HA 0.049 4.689 4.640 0.000 0.000 0.242 177 D C 0.924 177.224 176.300 -0.001 0.000 1.093 177 D CA -0.356 53.643 54.000 -0.001 0.000 0.845 177 D CB 1.534 42.333 40.800 -0.001 0.000 1.124 177 D HN 0.009 nan 8.370 nan 0.000 0.467 178 K N 2.021 122.421 120.400 -0.001 0.000 2.097 178 K HA -0.146 4.174 4.320 0.000 0.000 0.206 178 K C 1.649 178.249 176.600 -0.001 0.000 1.049 178 K CA 0.882 57.168 56.287 -0.001 0.000 0.933 178 K CB 0.135 32.634 32.500 -0.001 0.000 0.717 178 K HN 0.428 nan 8.250 nan 0.000 0.442 179 A N 0.706 123.525 122.820 -0.001 0.000 1.877 179 A HA -0.150 4.170 4.320 0.000 0.000 0.216 179 A C 2.155 179.739 177.584 -0.001 0.000 1.186 179 A CA 2.257 54.294 52.037 -0.001 0.000 0.620 179 A CB -1.046 17.953 19.000 -0.001 0.000 0.822 179 A HN 0.431 nan 8.150 nan 0.000 0.443 180 T N -0.613 113.940 114.554 -0.001 0.000 2.708 180 T HA -0.177 4.173 4.350 0.000 0.000 0.266 180 T C 2.041 176.740 174.700 -0.001 0.000 1.037 180 T CA 1.461 63.560 62.100 -0.001 0.000 1.146 180 T CB -0.292 68.575 68.868 -0.001 0.000 0.865 180 T HN 0.557 nan 8.240 nan 0.000 0.435 181 R N 1.029 121.528 120.500 -0.002 0.000 2.094 181 R HA -0.174 4.166 4.340 0.000 0.000 0.239 181 R C 1.971 178.270 176.300 -0.002 0.000 1.137 181 R CA 2.115 58.214 56.100 -0.002 0.000 0.943 181 R CB -0.337 29.962 30.300 -0.002 0.000 0.850 181 R HN 0.322 nan 8.270 nan 0.000 0.433 182 D N -0.007 120.392 120.400 -0.002 0.000 2.117 182 D HA -0.106 4.534 4.640 0.000 0.000 0.198 182 D C 1.778 178.078 176.300 -0.002 0.000 0.982 182 D CA 1.431 55.430 54.000 -0.002 0.000 0.828 182 D CB -0.337 40.462 40.800 -0.002 0.000 0.967 182 D HN 0.403 nan 8.370 nan 0.000 0.464 183 A N 0.751 123.570 122.820 -0.001 0.000 1.940 183 A HA -0.170 4.150 4.320 0.000 0.000 0.219 183 A C 2.204 179.787 177.584 -0.001 0.000 1.176 183 A CA 1.054 53.090 52.037 -0.001 0.000 0.631 183 A CB -0.659 18.340 19.000 -0.001 0.000 0.814 183 A HN 0.213 nan 8.150 nan 0.000 0.446 184 L N -0.451 120.771 121.223 -0.002 0.000 2.044 184 L HA -0.013 4.327 4.340 0.000 0.000 0.205 184 L C 2.287 179.156 176.870 -0.002 0.000 1.075 184 L CA 1.503 56.342 54.840 -0.002 0.000 0.747 184 L CB -0.296 41.762 42.059 -0.002 0.000 0.903 184 L HN 0.423 nan 8.230 nan 0.000 0.435 185 I N -0.627 119.941 120.570 -0.002 0.000 2.226 185 I HA -0.334 3.837 4.170 0.000 0.000 0.245 185 I C 3.046 179.162 176.117 -0.002 0.000 1.100 185 I CA 1.442 62.741 61.300 -0.002 0.000 1.374 185 I CB -0.620 37.378 38.000 -0.002 0.000 1.057 185 I HN 0.289 nan 8.210 nan 0.000 0.413 186 R N 0.626 121.125 120.500 -0.002 0.000 2.073 186 R HA -0.112 4.229 4.340 0.000 0.000 0.234 186 R C 1.032 177.331 176.300 -0.002 0.000 1.134 186 R CA 1.790 57.889 56.100 -0.002 0.000 0.952 186 R CB -1.376 28.924 30.300 -0.002 0.000 0.850 186 R HN 0.366 nan 8.270 nan 0.000 0.433 243 L N 0.597 121.822 121.223 0.004 0.000 2.072 243 L HA 0.082 4.422 4.340 0.000 0.000 0.205 243 L C 2.000 178.873 176.870 0.005 0.000 1.079 243 L CA 1.572 56.414 54.840 0.003 0.000 0.752 243 L CB -0.472 41.590 42.059 0.003 0.000 0.906 243 L HN 0.082 nan 8.230 nan 0.000 0.436 244 I N 0.364 120.938 120.570 0.007 0.000 2.252 244 I HA -0.286 3.884 4.170 0.000 0.000 0.245 244 I C 3.203 179.326 176.117 0.010 0.000 1.102 244 I CA 1.222 62.528 61.300 0.009 0.000 1.385 244 I CB -0.698 37.308 38.000 0.010 0.000 1.064 244 I HN 0.254 nan 8.210 nan 0.000 0.414 245 R N 1.048 121.554 120.500 0.010 0.000 2.127 245 R HA -0.160 4.180 4.340 0.000 0.000 0.238 245 R C 2.218 178.522 176.300 0.006 0.000 1.134 245 R CA 1.859 57.965 56.100 0.011 0.000 0.975 245 R CB -1.388 28.918 30.300 0.010 0.000 0.865 245 R HN 0.252 nan 8.270 nan 0.000 0.447 246 K N -0.924 119.477 120.400 0.001 0.000 2.186 246 K HA 0.085 4.405 4.320 0.000 0.000 0.202 246 K C 2.568 179.167 176.600 -0.003 0.000 1.052 246 K CA 0.618 56.901 56.287 -0.006 0.000 0.965 246 K CB -0.456 32.039 32.500 -0.008 0.000 0.746 246 K HN 0.730 nan 8.250 nan 0.000 0.457 247 G N 0.299 109.101 108.800 0.003 0.000 2.402 247 G HA2 -0.180 3.780 3.960 0.000 0.000 0.216 247 G HA3 -0.180 3.780 3.960 0.000 0.000 0.216 247 G C 1.580 176.487 174.900 0.012 0.000 1.162 247 G CA 0.874 45.978 45.100 0.007 0.000 0.777 247 G HN 0.323 nan 8.290 nan 0.000 0.539 248 V N 1.252 121.175 119.914 0.015 0.000 2.295 248 V HA -0.192 3.928 4.120 0.000 0.000 0.246 248 V C 2.480 178.590 176.094 0.026 0.000 1.049 248 V CA 2.439 64.753 62.300 0.023 0.000 1.024 248 V CB -0.423 31.415 31.823 0.025 0.000 0.648 248 V HN 0.462 nan 8.190 nan 0.000 0.447 249 D N -0.806 119.603 120.400 0.015 0.000 2.144 249 D HA -0.225 4.415 4.640 0.000 0.000 0.199 249 D C 2.130 178.432 176.300 0.004 0.000 0.984 249 D CA 1.635 55.639 54.000 0.008 0.000 0.834 249 D CB -0.092 40.696 40.800 -0.019 0.000 0.955 249 D HN 0.412 nan 8.370 nan 0.000 0.465 250 M N -0.417 119.184 119.600 0.000 0.000 2.156 250 M HA 0.012 4.492 4.480 0.000 0.000 0.264 250 M C 1.958 178.270 176.300 0.021 0.000 1.067 250 M CA 1.606 56.907 55.300 0.002 0.000 1.131 250 M CB 0.055 32.654 32.600 -0.002 0.000 1.368 250 M HN 0.050 nan 8.290 nan 0.000 0.416 251 A N 0.547 123.383 122.820 0.026 0.000 2.015 251 A HA -0.143 4.177 4.320 0.000 0.000 0.219 251 A C 2.258 179.876 177.584 0.056 0.000 1.163 251 A CA 1.589 53.648 52.037 0.036 0.000 0.646 251 A CB -0.853 18.167 19.000 0.033 0.000 0.806 251 A HN 0.748 nan 8.150 nan 0.000 0.448 252 M N -0.597 119.040 119.600 0.062 0.000 2.099 252 M HA -0.157 4.323 4.480 0.000 0.000 0.262 252 M C 2.224 178.588 176.300 0.107 0.000 1.067 252 M CA 1.643 56.997 55.300 0.091 0.000 1.124 252 M CB -0.260 32.394 32.600 0.090 0.000 1.353 252 M HN 0.373 nan 8.290 nan 0.000 0.410 253 R N 0.150 120.700 120.500 0.084 0.000 2.066 253 R HA -0.125 4.216 4.340 0.000 0.000 0.232 253 R C 2.163 178.508 176.300 0.077 0.000 1.131 253 R CA 1.208 57.362 56.100 0.090 0.000 0.955 253 R CB -0.635 29.702 30.300 0.061 0.000 0.851 253 R HN 0.323 nan 8.270 nan 0.000 0.432 254 L N 0.560 121.815 121.223 0.054 0.000 2.012 254 L HA -0.139 4.202 4.340 0.000 0.000 0.210 254 L C 2.312 179.206 176.870 0.039 0.000 1.073 254 L CA 1.783 56.645 54.840 0.037 0.000 0.748 254 L CB -0.541 41.534 42.059 0.026 0.000 0.891 254 L HN 0.213 nan 8.230 nan 0.000 0.431 255 M N -1.916 117.726 119.600 0.070 0.000 2.419 255 M HA -0.011 4.469 4.480 0.000 0.000 0.264 255 M C 1.947 178.329 176.300 0.136 0.000 1.082 255 M CA 1.145 56.498 55.300 0.089 0.000 1.119 255 M CB -0.443 32.234 32.600 0.129 0.000 1.398 255 M HN 0.333 nan 8.290 nan 0.000 0.453 256 G N -0.175 108.735 108.800 0.184 0.000 2.539 256 G HA2 -0.082 3.879 3.960 0.000 0.000 0.215 256 G HA3 -0.082 3.879 3.960 0.000 0.000 0.215 256 G C 1.443 176.475 174.900 0.219 0.000 1.141 256 G CA 0.921 46.213 45.100 0.321 0.000 0.806 256 G HN 0.505 nan 8.290 nan 0.000 0.533 257 E N 1.705 121.957 120.200 0.088 0.000 2.118 257 E HA -0.274 4.077 4.350 0.000 0.000 0.195 257 E C 2.313 178.914 176.600 0.002 0.000 0.992 257 E CA 1.793 58.228 56.400 0.059 0.000 0.804 257 E CB -0.982 28.737 29.700 0.031 0.000 0.741 257 E HN 0.803 nan 8.360 nan 0.000 0.458 258 Q N -1.321 118.365 119.800 -0.190 0.000 2.297 258 Q HA -0.071 4.269 4.340 0.000 0.000 0.208 258 Q C 1.723 177.517 176.000 -0.344 0.000 0.981 258 Q CA 1.691 57.277 55.803 -0.363 0.000 0.876 258 Q CB -0.505 27.873 28.738 -0.600 0.000 0.921 258 Q HN 0.639 nan 8.270 nan 0.000 0.446 259 F N 0.655 120.711 119.950 0.177 0.000 2.727 259 F HA 0.259 4.786 4.527 0.000 0.000 0.302 259 F C 0.223 176.253 175.800 0.383 0.000 1.097 259 F CA -0.655 57.521 58.000 0.294 0.000 1.330 259 F CB 1.042 40.261 39.000 0.366 0.000 1.084 259 F HN -0.164 nan 8.300 nan 0.000 0.578 260 V N 0.593 120.754 119.914 0.412 0.000 2.459 260 V HA 0.130 4.250 4.120 0.000 0.000 0.295 260 V C 1.046 177.203 176.094 0.105 0.000 1.029 260 V CA -0.169 62.264 62.300 0.220 0.000 0.874 260 V CB 1.540 33.445 31.823 0.138 0.000 0.985 260 V HN 0.310 nan 8.190 nan 0.000 0.438 261 T N 0.646 115.141 114.554 -0.099 0.000 3.009 261 T HA 0.360 4.711 4.350 0.000 0.000 0.258 261 T C 0.727 175.357 174.700 -0.115 0.000 1.063 261 T CA 0.648 62.572 62.100 -0.293 0.000 1.139 261 T CB 0.337 69.008 68.868 -0.327 0.000 0.890 261 T HN 1.123 nan 8.240 nan 0.000 0.471 262 G N -0.300 108.462 108.800 -0.063 0.000 2.579 262 G HA2 0.433 4.393 3.960 0.000 0.000 0.292 262 G HA3 0.433 4.393 3.960 0.000 0.000 0.292 262 G C -0.219 174.656 174.900 -0.043 0.000 1.484 262 G CA -0.558 44.510 45.100 -0.052 0.000 0.813 262 G HN -0.055 nan 8.290 nan 0.000 0.515 263 E N -0.640 119.536 120.200 -0.039 0.000 2.152 263 E HA -0.019 4.331 4.350 0.000 0.000 0.192 263 E C 1.412 177.978 176.600 -0.057 0.000 0.983 263 E CA 1.670 58.045 56.400 -0.041 0.000 0.818 263 E CB 0.175 29.854 29.700 -0.035 0.000 0.758 263 E HN 0.660 nan 8.360 nan 0.000 0.467 264 T N -2.440 112.073 114.554 -0.069 0.000 2.901 264 T HA 0.350 4.700 4.350 0.000 0.000 0.293 264 T C 0.834 175.464 174.700 -0.117 0.000 1.084 264 T CA -0.831 61.220 62.100 -0.082 0.000 1.008 264 T CB 1.603 70.426 68.868 -0.075 0.000 1.170 264 T HN -0.152 nan 8.240 nan 0.000 0.509 265 I N 1.603 122.090 120.570 -0.137 0.000 2.315 265 I HA 0.134 4.305 4.170 0.000 0.000 0.248 265 I C 2.591 178.556 176.117 -0.253 0.000 1.117 265 I CA 1.810 62.977 61.300 -0.223 0.000 1.404 265 I CB -1.008 36.871 38.000 -0.203 0.000 1.071 265 I HN 0.890 nan 8.210 nan 0.000 0.419 266 A N -0.037 122.679 122.820 -0.173 0.000 1.883 266 A HA -0.306 4.015 4.320 0.000 0.000 0.217 266 A C 2.392 179.888 177.584 -0.148 0.000 1.186 266 A CA 2.121 54.067 52.037 -0.152 0.000 0.624 266 A CB -0.927 18.011 19.000 -0.103 0.000 0.822 266 A HN 0.629 nan 8.150 nan 0.000 0.444 267 E N -0.104 120.021 120.200 -0.126 0.000 2.051 267 E HA -0.110 4.240 4.350 0.000 0.000 0.192 267 E C 2.142 178.662 176.600 -0.133 0.000 0.991 267 E CA 1.145 57.481 56.400 -0.107 0.000 0.799 267 E CB -0.331 29.321 29.700 -0.080 0.000 0.748 267 E HN 0.493 nan 8.360 nan 0.000 0.449 268 A N 1.379 124.098 122.820 -0.168 0.000 1.883 268 A HA -0.181 4.139 4.320 0.000 0.000 0.217 268 A C 2.283 179.718 177.584 -0.248 0.000 1.186 268 A CA 1.533 53.461 52.037 -0.182 0.000 0.624 268 A CB -0.860 18.033 19.000 -0.177 0.000 0.822 268 A HN 0.352 nan 8.150 nan 0.000 0.444 269 L N -0.820 120.182 121.223 -0.369 0.000 2.042 269 L HA -0.229 4.111 4.340 0.000 0.000 0.210 269 L C 3.036 179.795 176.870 -0.185 0.000 1.076 269 L CA 1.167 55.811 54.840 -0.327 0.000 0.749 269 L CB -0.480 41.385 42.059 -0.324 0.000 0.893 269 L HN 0.448 nan 8.230 nan 0.000 0.432 270 A N -0.265 122.465 122.820 -0.149 0.000 2.015 270 A HA -0.162 4.159 4.320 0.000 0.000 0.219 270 A C 1.727 179.260 177.584 -0.085 0.000 1.163 270 A CA 1.420 53.399 52.037 -0.097 0.000 0.646 270 A CB -0.687 18.266 19.000 -0.078 0.000 0.806 270 A HN 0.565 nan 8.150 nan 0.000 0.448 271 N N -0.382 118.253 118.700 -0.108 0.000 2.362 271 N HA 0.258 4.998 4.740 0.000 0.000 0.204 271 N C 0.975 176.416 175.510 -0.115 0.000 1.166 271 N CA 0.342 53.339 53.050 -0.087 0.000 0.831 271 N CB 0.157 38.595 38.487 -0.081 0.000 1.008 271 N HN 0.502 nan 8.380 nan 0.000 0.472 272 A N 0.452 123.176 122.820 -0.160 0.000 2.229 272 A HA 0.177 4.497 4.320 0.000 0.000 0.211 272 A C 2.317 179.884 177.584 -0.029 0.000 1.193 272 A CA 0.078 51.950 52.037 -0.275 0.000 0.879 272 A CB -0.105 18.630 19.000 -0.441 0.000 0.911 272 A HN 0.324 nan 8.150 nan 0.000 0.492 273 R N 0.469 120.970 120.500 0.003 0.000 2.075 273 R HA -0.081 4.260 4.340 0.000 0.000 0.232 273 R C 2.252 178.606 176.300 0.090 0.000 1.126 273 R CA 2.145 58.278 56.100 0.055 0.000 0.963 273 R CB -1.378 28.941 30.300 0.032 0.000 0.858 273 R HN 0.429 nan 8.270 nan 0.000 0.435 274 K N 0.527 120.970 120.400 0.072 0.000 2.032 274 K HA -0.083 4.238 4.320 0.000 0.000 0.218 274 K C 2.341 179.019 176.600 0.130 0.000 1.054 274 K CA 2.099 58.436 56.287 0.084 0.000 0.941 274 K CB -0.845 31.691 32.500 0.060 0.000 0.720 274 K HN 0.592 nan 8.250 nan 0.000 0.449 275 L N -0.026 121.296 121.223 0.164 0.000 2.270 275 L HA 0.075 4.415 4.340 0.000 0.000 0.210 275 L C 2.798 179.897 176.870 0.382 0.000 1.104 275 L CA 1.284 56.255 54.840 0.217 0.000 0.804 275 L CB -0.369 41.673 42.059 -0.028 0.000 0.937 275 L HN 0.400 nan 8.230 nan 0.000 0.450 276 E N 0.421 120.826 120.200 0.342 0.000 2.204 276 E HA -0.225 4.125 4.350 0.000 0.000 0.195 276 E C 2.321 179.047 176.600 0.209 0.000 0.990 276 E CA 1.217 57.796 56.400 0.299 0.000 0.821 276 E CB 0.067 29.917 29.700 0.251 0.000 0.750 276 E HN 0.609 nan 8.360 nan 0.000 0.477 277 E N 1.716 122.021 120.200 0.176 0.000 2.077 277 E HA -0.205 4.145 4.350 0.000 0.000 0.193 277 E C 1.681 178.366 176.600 0.142 0.000 0.989 277 E CA 1.459 57.938 56.400 0.133 0.000 0.800 277 E CB -0.584 nan 29.700 nan 0.000 0.746 277 E HN 0.161 nan 8.360 nan 0.000 0.452 278 K N -1.573 118.948 120.400 0.202 0.000 2.525 278 K HA 0.243 4.563 4.320 0.000 0.000 0.192 278 K C 1.254 177.928 176.600 0.122 0.000 1.029 278 K CA 0.461 56.869 56.287 0.202 0.000 1.029 278 K CB 0.379 33.072 32.500 0.322 0.000 0.814 278 K HN 0.505 nan 8.250 nan 0.000 0.503 279 G N 0.440 109.312 108.800 0.120 0.000 2.163 279 G HA2 -0.226 3.734 3.960 0.000 0.000 0.213 279 G HA3 -0.226 3.734 3.960 0.000 0.000 0.213 279 G C -0.116 174.749 174.900 -0.059 0.000 0.991 279 G CA -0.674 44.432 45.100 0.011 0.000 0.653 279 G HN 0.126 nan 8.290 nan 0.000 0.518 280 F N 0.973 120.960 119.950 0.062 0.000 2.410 280 F HA 0.724 5.251 4.527 0.000 0.000 0.334 280 F C 1.330 177.145 175.800 0.024 0.000 1.134 280 F CA -0.075 57.929 58.000 0.007 0.000 1.227 280 F CB 0.744 39.721 39.000 -0.038 0.000 1.194 280 F HN 0.055 nan 8.300 nan 0.000 0.571 281 R N 0.578 121.157 120.500 0.133 0.000 2.875 281 R HA 0.616 4.957 4.340 0.000 0.000 0.251 281 R C -1.783 174.440 176.300 -0.128 0.000 1.123 281 R CA -0.914 55.248 56.100 0.103 0.000 1.064 281 R CB 1.038 31.389 30.300 0.085 0.000 1.205 281 R HN 0.483 nan 8.270 nan 0.000 0.503 282 Y N -1.145 119.127 120.300 -0.048 0.000 2.512 282 Y HA 0.454 5.004 4.550 0.000 0.000 0.348 282 Y C -0.377 175.324 175.900 -0.332 0.000 0.990 282 Y CA -0.596 57.341 58.100 -0.273 0.000 1.033 282 Y CB 2.744 40.867 38.460 -0.560 0.000 1.259 282 Y HN 0.428 nan 8.280 nan 0.000 0.461 283 S N 2.703 118.242 115.700 -0.269 0.000 2.596 283 S HA 0.533 5.003 4.470 0.000 0.000 0.318 283 S C -1.641 172.698 174.600 -0.435 0.000 1.097 283 S CA -0.470 57.583 58.200 -0.245 0.000 1.080 283 S CB 0.068 63.220 63.200 -0.079 0.000 0.991 283 S HN 0.496 nan 8.310 nan 0.000 0.471 284 Y N 2.810 123.059 120.300 -0.086 0.000 2.316 284 Y HA 0.354 4.905 4.550 0.000 0.000 0.331 284 Y C 0.463 176.229 175.900 -0.224 0.000 1.083 284 Y CA -0.531 57.484 58.100 -0.142 0.000 1.206 284 Y CB 0.955 39.368 38.460 -0.080 0.000 1.195 284 Y HN 0.611 nan 8.280 nan 0.000 0.497 285 D N 3.632 123.915 120.400 -0.195 0.000 2.441 285 D HA 0.219 4.859 4.640 0.000 0.000 0.231 285 D C -0.848 175.434 176.300 -0.029 0.000 1.073 285 D CA -0.632 53.252 54.000 -0.194 0.000 0.850 285 D CB 0.648 41.145 40.800 -0.506 0.000 1.062 285 D HN 0.243 nan 8.370 nan 0.000 0.524 286 M N 4.231 123.894 119.600 0.105 0.000 2.429 286 M HA 0.158 4.639 4.480 0.000 0.000 0.334 286 M C -0.094 176.202 176.300 -0.007 0.000 1.560 286 M CA -0.134 55.196 55.300 0.050 0.000 1.291 286 M CB -0.370 32.259 32.600 0.049 0.000 1.754 286 M HN 0.443 nan 8.290 nan 0.000 0.456 287 L N 2.643 123.843 121.223 -0.039 0.000 2.506 287 L HA 0.421 4.761 4.340 0.000 0.000 0.281 287 L C 0.996 177.843 176.870 -0.037 0.000 1.228 287 L CA 0.387 55.202 54.840 -0.042 0.000 0.850 287 L CB 0.193 42.223 42.059 -0.049 0.000 1.110 287 L HN 0.905 nan 8.230 nan 0.000 0.496 288 G N 2.166 110.930 108.800 -0.061 0.000 2.801 288 G HA2 0.206 4.166 3.960 0.000 0.000 0.648 288 G HA3 0.206 4.166 3.960 0.000 0.000 0.648 288 G C -1.234 173.377 174.900 -0.483 0.000 1.415 288 G CA -0.378 44.617 45.100 -0.174 0.000 0.887 288 G HN 0.822 nan 8.290 nan 0.000 0.627 289 E N 0.762 120.794 120.200 -0.281 0.000 2.454 289 E HA 0.721 5.071 4.350 0.000 0.000 0.279 289 E C 0.446 177.045 176.600 -0.002 0.000 1.029 289 E CA -0.697 55.599 56.400 -0.174 0.000 0.831 289 E CB 1.247 30.960 29.700 0.022 0.000 1.405 289 E HN 2.469 nan 8.360 nan 0.000 0.463 290 A N -0.389 122.471 122.820 0.066 0.000 2.610 290 A HA -0.014 4.306 4.320 0.000 0.000 0.299 290 A C 0.565 178.257 177.584 0.180 0.000 1.487 290 A CA 0.729 52.853 52.037 0.145 0.000 0.743 290 A CB -2.321 16.768 19.000 0.149 0.000 1.070 290 A HN 1.428 nan 8.150 nan 0.000 0.439 291 A N -0.207 122.742 122.820 0.216 0.000 2.566 291 A HA 0.430 4.750 4.320 0.000 0.000 0.245 291 A C 1.235 178.918 177.584 0.164 0.000 1.056 291 A CA 0.773 52.968 52.037 0.264 0.000 0.757 291 A CB -0.061 19.108 19.000 0.282 0.000 0.979 291 A HN 1.229 nan 8.150 nan 0.000 0.508 292 L N 2.130 123.427 121.223 0.124 0.000 2.416 292 L HA 0.113 4.454 4.340 0.000 0.000 0.216 292 L C 1.356 178.256 176.870 0.050 0.000 1.098 292 L CA 1.045 55.936 54.840 0.085 0.000 0.840 292 L CB -0.306 41.797 42.059 0.074 0.000 0.981 292 L HN 0.900 nan 8.230 nan 0.000 0.462 293 T N -5.056 109.518 114.554 0.033 0.000 2.916 293 T HA 0.600 4.950 4.350 0.000 0.000 0.292 293 T C 0.848 175.539 174.700 -0.015 0.000 1.064 293 T CA -0.145 61.957 62.100 0.003 0.000 1.011 293 T CB 2.338 71.203 68.868 -0.006 0.000 1.152 293 T HN -0.062 nan 8.240 nan 0.000 0.510 294 A N 0.715 123.516 122.820 -0.031 0.000 1.978 294 A HA 0.225 4.545 4.320 0.000 0.000 0.220 294 A C 2.483 180.045 177.584 -0.037 0.000 1.170 294 A CA 1.962 53.974 52.037 -0.042 0.000 0.636 294 A CB -1.440 17.537 19.000 -0.039 0.000 0.810 294 A HN 1.297 nan 8.150 nan 0.000 0.448 295 A N -0.105 122.690 122.820 -0.042 0.000 1.897 295 A HA -0.115 4.205 4.320 0.000 0.000 0.215 295 A C 1.768 179.291 177.584 -0.101 0.000 1.181 295 A CA 1.695 53.696 52.037 -0.060 0.000 0.620 295 A CB -0.492 18.475 19.000 -0.055 0.000 0.821 295 A HN 0.427 nan 8.150 nan 0.000 0.443 296 D N 0.318 120.657 120.400 -0.103 0.000 2.104 296 D HA -0.094 4.546 4.640 0.000 0.000 0.194 296 D C 2.205 178.377 176.300 -0.212 0.000 0.994 296 D CA 1.685 55.566 54.000 -0.198 0.000 0.830 296 D CB -0.407 40.352 40.800 -0.068 0.000 0.959 296 D HN 0.416 nan 8.370 nan 0.000 0.452 297 A N 0.446 123.259 122.820 -0.012 0.000 1.930 297 A HA -0.196 4.125 4.320 0.000 0.000 0.217 297 A C 2.134 179.748 177.584 0.050 0.000 1.175 297 A CA 1.657 53.755 52.037 0.102 0.000 0.627 297 A CB -0.522 18.523 19.000 0.074 0.000 0.815 297 A HN 0.131 nan 8.150 nan 0.000 0.443 298 Q N 0.188 119.978 119.800 -0.017 0.000 2.084 298 Q HA -0.027 4.314 4.340 0.000 0.000 0.202 298 Q C 2.034 178.002 176.000 -0.054 0.000 0.978 298 Q CA 2.278 58.069 55.803 -0.020 0.000 0.844 298 Q CB -0.687 28.033 28.738 -0.031 0.000 0.898 298 Q HN 0.521 nan 8.270 nan 0.000 0.426 299 A N -0.640 122.094 122.820 -0.142 0.000 1.902 299 A HA -0.177 4.143 4.320 0.000 0.000 0.217 299 A C 1.887 179.355 177.584 -0.194 0.000 1.181 299 A CA 1.570 53.485 52.037 -0.203 0.000 0.623 299 A CB -1.023 17.787 19.000 -0.317 0.000 0.818 299 A HN 0.524 nan 8.150 nan 0.000 0.443 300 Y N -1.198 119.025 120.300 -0.129 0.000 2.181 300 Y HA -0.188 4.362 4.550 0.000 0.000 0.288 300 Y C 2.446 178.192 175.900 -0.257 0.000 1.146 300 Y CA 1.588 59.526 58.100 -0.270 0.000 1.164 300 Y CB -0.733 37.572 38.460 -0.257 0.000 0.982 300 Y HN 0.387 nan 8.280 nan 0.000 0.515 301 M N -0.470 119.189 119.600 0.097 0.000 2.149 301 M HA -0.148 4.333 4.480 0.000 0.000 0.261 301 M C 1.797 178.158 176.300 0.100 0.000 1.064 301 M CA 1.535 56.922 55.300 0.145 0.000 1.102 301 M CB -0.690 31.977 32.600 0.111 0.000 1.369 301 M HN 0.023 nan 8.290 nan 0.000 0.408 302 V N -1.151 118.784 119.914 0.035 0.000 2.488 302 V HA -0.136 3.985 4.120 0.000 0.000 0.246 302 V C 2.417 178.526 176.094 0.025 0.000 1.046 302 V CA 1.668 63.986 62.300 0.030 0.000 1.053 302 V CB -0.761 31.063 31.823 0.001 0.000 0.679 302 V HN 0.646 nan 8.190 nan 0.000 0.458 303 S N -0.932 114.754 115.700 -0.022 0.000 2.383 303 S HA -0.217 4.253 4.470 0.000 0.000 0.229 303 S C 1.999 176.614 174.600 0.024 0.000 1.030 303 S CA 1.736 59.912 58.200 -0.039 0.000 1.002 303 S CB -0.325 62.816 63.200 -0.098 0.000 0.829 303 S HN 0.591 nan 8.310 nan 0.000 0.467 304 Y N 1.767 122.090 120.300 0.039 0.000 2.184 304 Y HA 0.026 4.576 4.550 0.000 0.000 0.290 304 Y C 2.684 178.572 175.900 -0.020 0.000 1.129 304 Y CA 1.019 59.126 58.100 0.011 0.000 1.144 304 Y CB -1.075 37.395 38.460 0.017 0.000 0.995 304 Y HN 0.381 nan 8.280 nan 0.000 0.513 305 Q N -0.183 119.704 119.800 0.145 0.000 2.030 305 Q HA -0.305 4.035 4.340 0.000 0.000 0.204 305 Q C 2.366 178.386 176.000 0.034 0.000 0.986 305 Q CA 2.003 57.832 55.803 0.042 0.000 0.843 305 Q CB -0.331 28.450 28.738 0.072 0.000 0.904 305 Q HN 0.540 nan 8.270 nan 0.000 0.420 306 Q N 0.070 119.929 119.800 0.099 0.000 2.061 306 Q HA -0.223 4.118 4.340 0.000 0.000 0.204 306 Q C 2.004 178.030 176.000 0.043 0.000 0.984 306 Q CA 1.538 57.408 55.803 0.112 0.000 0.846 306 Q CB -0.168 28.602 28.738 0.055 0.000 0.902 306 Q HN 0.393 nan 8.270 nan 0.000 0.421 307 A N 0.807 123.639 122.820 0.020 0.000 1.902 307 A HA -0.163 4.157 4.320 0.000 0.000 0.217 307 A C 2.006 179.544 177.584 -0.076 0.000 1.181 307 A CA 1.363 53.388 52.037 -0.020 0.000 0.623 307 A CB -0.622 18.406 19.000 0.046 0.000 0.818 307 A HN 0.492 nan 8.150 nan 0.000 0.443 308 I N -1.281 119.233 120.570 -0.093 0.000 2.252 308 I HA -0.223 3.947 4.170 0.000 0.000 0.245 308 I C 2.478 178.355 176.117 -0.399 0.000 1.102 308 I CA 1.084 62.271 61.300 -0.188 0.000 1.385 308 I CB -0.551 37.359 38.000 -0.151 0.000 1.064 308 I HN 0.394 nan 8.210 nan 0.000 0.414 309 H N 0.860 119.791 119.070 -0.232 0.000 2.267 309 H HA -0.157 4.399 4.556 0.000 0.000 0.297 309 H C 2.382 177.463 175.328 -0.412 0.000 1.080 309 H CA 1.861 57.701 56.048 -0.347 0.000 1.278 309 H CB -0.488 29.238 29.762 -0.060 0.000 1.365 309 H HN 0.358 nan 8.280 nan 0.000 0.489 310 A N 0.863 123.610 122.820 -0.121 0.000 1.902 310 A HA -0.128 4.192 4.320 0.000 0.000 0.217 310 A C 2.764 180.220 177.584 -0.214 0.000 1.181 310 A CA 1.537 53.481 52.037 -0.155 0.000 0.623 310 A CB -0.827 18.089 19.000 -0.141 0.000 0.818 310 A HN 0.307 nan 8.150 nan 0.000 0.443 311 I N -0.405 120.027 120.570 -0.231 0.000 2.202 311 I HA -0.166 4.004 4.170 0.000 0.000 0.242 311 I C 2.718 178.726 176.117 -0.182 0.000 1.091 311 I CA 1.121 62.318 61.300 -0.171 0.000 1.368 311 I CB -0.608 37.353 38.000 -0.065 0.000 1.058 311 I HN 0.383 nan 8.210 nan 0.000 0.410 312 G N 0.668 109.227 108.800 -0.403 0.000 2.442 312 G HA2 -0.250 3.710 3.960 0.000 0.000 0.219 312 G HA3 -0.250 3.710 3.960 0.000 0.000 0.219 312 G C 1.750 176.508 174.900 -0.236 0.000 1.141 312 G CA 0.759 45.554 45.100 -0.508 0.000 0.763 312 G HN 0.291 nan 8.290 nan 0.000 0.554 313 K N 0.305 120.541 120.400 -0.273 0.000 2.103 313 K HA 0.203 4.523 4.320 0.000 0.000 0.204 313 K C 2.866 179.459 176.600 -0.012 0.000 1.052 313 K CA 0.877 57.149 56.287 -0.026 0.000 0.945 313 K CB -0.138 32.350 32.500 -0.020 0.000 0.722 313 K HN 0.249 nan 8.250 nan 0.000 0.443 314 A N 0.387 123.174 122.820 -0.055 0.000 1.969 314 A HA -0.140 4.180 4.320 0.000 0.000 0.218 314 A C 2.123 179.719 177.584 0.019 0.000 1.169 314 A CA 1.826 53.848 52.037 -0.025 0.000 0.635 314 A CB -0.576 18.389 19.000 -0.058 0.000 0.810 314 A HN 0.273 nan 8.150 nan 0.000 0.445 315 S N -0.139 115.579 115.700 0.030 0.000 2.345 315 S HA -0.223 4.247 4.470 0.000 0.000 0.220 315 S C 1.124 175.773 174.600 0.082 0.000 1.031 315 S CA 1.387 59.631 58.200 0.072 0.000 0.996 315 S CB -0.517 62.737 63.200 0.090 0.000 0.882 315 S HN 0.737 nan 8.310 nan 0.000 0.445 316 N N -0.231 118.526 118.700 0.096 0.000 2.754 316 N HA -0.194 4.546 4.740 0.000 0.000 0.248 316 N C 0.558 176.123 175.510 0.092 0.000 1.093 316 N CA 0.616 53.724 53.050 0.096 0.000 0.699 316 N CB -1.539 36.989 38.487 0.068 0.000 1.016 316 N HN 0.900 nan 8.380 nan 0.000 0.552 317 G N -0.322 108.543 108.800 0.109 0.000 2.175 317 G HA2 -0.322 3.638 3.960 0.000 0.000 0.244 317 G HA3 -0.322 3.638 3.960 0.000 0.000 0.244 317 G C 0.742 175.695 174.900 0.088 0.000 0.982 317 G CA 0.524 45.682 45.100 0.095 0.000 0.641 317 G HN 0.542 nan 8.290 nan 0.000 0.527 318 R N 0.713 121.266 120.500 0.088 0.000 2.249 318 R HA 0.262 4.602 4.340 0.000 0.000 0.230 318 R C 1.818 178.171 176.300 0.087 0.000 1.121 318 R CA 1.338 57.488 56.100 0.084 0.000 0.997 318 R CB -0.308 30.044 30.300 0.087 0.000 0.867 318 R HN 1.708 nan 8.270 nan 0.000 0.465 319 G N 0.203 109.058 108.800 0.093 0.000 2.728 319 G HA2 -0.263 3.697 3.960 0.000 0.000 0.294 319 G HA3 -0.263 3.697 3.960 0.000 0.000 0.294 319 G C 0.539 175.452 174.900 0.021 0.000 1.342 319 G CA -0.185 44.962 45.100 0.078 0.000 0.866 319 G HN 0.290 nan 8.290 nan 0.000 0.534 320 I N -2.984 117.519 120.570 -0.112 0.000 2.676 320 I HA 0.097 4.268 4.170 0.000 0.000 0.259 320 I C 2.128 178.036 176.117 -0.349 0.000 1.194 320 I CA 1.403 62.532 61.300 -0.287 0.000 1.473 320 I CB -0.299 37.365 38.000 -0.559 0.000 1.096 320 I HN 0.520 nan 8.210 nan 0.000 0.443 321 Y N 1.277 121.504 120.300 -0.121 0.000 2.266 321 Y HA 0.117 4.667 4.550 0.000 0.000 0.294 321 Y C 2.648 178.529 175.900 -0.032 0.000 1.127 321 Y CA 0.663 58.673 58.100 -0.151 0.000 1.140 321 Y CB -0.050 38.256 38.460 -0.256 0.000 1.071 321 Y HN 0.006 nan 8.280 nan 0.000 0.525 322 E N 0.246 120.531 120.200 0.142 0.000 2.250 322 E HA 0.094 4.444 4.350 0.000 0.000 0.192 322 E C 1.039 177.704 176.600 0.108 0.000 0.986 322 E CA 0.477 56.945 56.400 0.115 0.000 0.849 322 E CB -0.271 29.487 29.700 0.098 0.000 0.797 322 E HN 0.331 nan 8.360 nan 0.000 0.482 323 G N 2.846 111.704 108.800 0.096 0.000 2.528 323 G HA2 0.346 4.306 3.960 0.000 0.000 0.289 323 G HA3 0.346 4.306 3.960 0.000 0.000 0.289 323 G C -2.468 172.498 174.900 0.109 0.000 1.192 323 G CA -1.069 44.094 45.100 0.105 0.000 0.921 323 G HN -0.106 nan 8.290 nan 0.000 0.512 324 P HA 0.298 nan 4.420 nan 0.000 0.272 324 P C 0.197 177.572 177.300 0.124 0.000 1.223 324 P CA 0.055 63.252 63.100 0.161 0.000 0.784 324 P CB 1.499 33.366 31.700 0.279 0.000 0.923 325 G N 0.635 109.492 108.800 0.096 0.000 3.015 325 G HA2 0.665 4.625 3.960 0.000 0.000 0.281 325 G HA3 0.665 4.625 3.960 0.000 0.000 0.281 325 G C -1.563 173.389 174.900 0.087 0.000 1.386 325 G CA -0.773 44.375 45.100 0.079 0.000 0.959 325 G HN 0.566 nan 8.290 nan 0.000 0.522 326 I N -0.454 120.150 120.570 0.058 0.000 2.740 326 I HA 0.635 4.805 4.170 0.000 0.000 0.303 326 I C -0.560 175.545 176.117 -0.020 0.000 1.044 326 I CA -0.736 60.584 61.300 0.033 0.000 1.064 326 I CB 2.290 40.304 38.000 0.023 0.000 1.249 326 I HN 0.407 nan 8.210 nan 0.000 0.433 327 S N 6.787 122.455 115.700 -0.053 0.000 2.482 327 S HA 0.655 5.125 4.470 0.000 0.000 0.303 327 S C -0.637 173.896 174.600 -0.111 0.000 1.091 327 S CA -0.580 57.598 58.200 -0.037 0.000 1.057 327 S CB 1.466 64.695 63.200 0.049 0.000 1.031 327 S HN 0.502 nan 8.310 nan 0.000 0.485 328 I N -0.504 119.959 120.570 -0.178 0.000 2.785 328 I HA 0.663 4.833 4.170 0.000 0.000 0.302 328 I C -1.154 174.905 176.117 -0.097 0.000 1.069 328 I CA -1.030 60.053 61.300 -0.361 0.000 1.045 328 I CB 1.925 39.481 38.000 -0.740 0.000 1.236 328 I HN 0.294 nan 8.210 nan 0.000 0.429 329 K N 4.579 124.988 120.400 0.015 0.000 2.293 329 K HA 0.446 4.766 4.320 0.000 0.000 0.267 329 K C 0.526 177.090 176.600 -0.061 0.000 1.010 329 K CA -0.625 55.673 56.287 0.018 0.000 0.875 329 K CB 2.285 34.830 32.500 0.074 0.000 1.106 329 K HN 0.662 nan 8.250 nan 0.000 0.450 330 L N 1.337 122.455 121.223 -0.174 0.000 2.129 330 L HA -0.280 4.060 4.340 0.000 0.000 0.212 330 L C 2.378 178.878 176.870 -0.618 0.000 1.087 330 L CA 1.617 56.238 54.840 -0.365 0.000 0.757 330 L CB -0.567 41.231 42.059 -0.435 0.000 0.896 330 L HN 0.715 nan 8.230 nan 0.000 0.434 331 S N 0.059 115.427 115.700 -0.553 0.000 2.419 331 S HA -0.148 4.322 4.470 0.000 0.000 0.233 331 S C 2.039 176.600 174.600 -0.065 0.000 1.016 331 S CA 0.828 58.862 58.200 -0.277 0.000 0.974 331 S CB -0.320 62.921 63.200 0.070 0.000 0.786 331 S HN 0.371 nan 8.310 nan 0.000 0.492 332 A N 0.880 123.648 122.820 -0.087 0.000 2.119 332 A HA 0.394 4.714 4.320 0.000 0.000 0.217 332 A C 2.016 179.680 177.584 0.134 0.000 1.153 332 A CA 0.645 52.618 52.037 -0.106 0.000 0.692 332 A CB -0.441 18.344 19.000 -0.358 0.000 0.799 332 A HN 0.580 nan 8.150 nan 0.000 0.458 333 L N -1.953 119.334 121.223 0.106 0.000 2.640 333 L HA 0.241 4.581 4.340 0.000 0.000 0.230 333 L C 0.378 177.356 176.870 0.180 0.000 1.123 333 L CA -0.013 54.920 54.840 0.156 0.000 0.900 333 L CB 0.157 42.289 42.059 0.122 0.000 1.146 333 L HN 0.539 nan 8.230 nan 0.000 0.484 334 H N 0.017 119.129 119.070 0.070 0.000 2.947 334 H HA 0.349 4.906 4.556 0.000 0.000 0.354 334 H C -2.724 172.691 175.328 0.146 0.000 1.085 334 H CA -1.793 54.321 56.048 0.111 0.000 1.253 334 H CB 2.455 32.305 29.762 0.146 0.000 1.757 334 H HN -0.274 nan 8.280 nan 0.000 0.523 335 P HA 0.088 nan 4.420 nan 0.000 0.271 335 P C -0.470 176.898 177.300 0.114 0.000 1.220 335 P CA 0.010 63.094 63.100 -0.026 0.000 0.768 335 P CB 0.536 32.169 31.700 -0.113 0.000 0.848 336 R N 1.263 121.861 120.500 0.164 0.000 3.422 336 R HA -0.246 4.094 4.340 0.000 0.000 0.267 336 R C 0.780 177.237 176.300 0.261 0.000 1.074 336 R CA 0.391 56.597 56.100 0.176 0.000 0.718 336 R CB -3.129 27.240 30.300 0.115 0.000 1.157 336 R HN 0.596 nan 8.270 nan 0.000 0.440 337 Y N 1.662 122.076 120.300 0.190 0.000 2.173 337 Y HA -0.347 4.203 4.550 0.000 0.000 0.282 337 Y C 2.333 178.292 175.900 0.099 0.000 1.192 337 Y CA 2.490 60.693 58.100 0.172 0.000 1.176 337 Y CB -0.343 38.200 38.460 0.138 0.000 0.969 337 Y HN 0.443 nan 8.280 nan 0.000 0.519 338 S N -0.348 115.392 115.700 0.066 0.000 2.419 338 S HA -0.199 4.271 4.470 0.000 0.000 0.235 338 S C 1.708 176.255 174.600 -0.087 0.000 1.019 338 S CA 1.571 59.739 58.200 -0.053 0.000 0.982 338 S CB -0.350 62.869 63.200 0.031 0.000 0.789 338 S HN 0.600 nan 8.310 nan 0.000 0.490 339 R N 0.717 121.202 120.500 -0.026 0.000 2.565 339 R HA 0.478 4.818 4.340 0.000 0.000 0.347 339 R C 0.175 176.473 176.300 -0.002 0.000 1.010 339 R CA 0.213 56.302 56.100 -0.019 0.000 1.126 339 R CB 0.684 30.991 30.300 0.013 0.000 1.331 339 R HN 0.416 nan 8.270 nan 0.000 0.552 340 A N 1.443 124.259 122.820 -0.007 0.000 2.483 340 A HA 0.098 4.419 4.320 0.000 0.000 0.238 340 A C 0.208 177.784 177.584 -0.013 0.000 1.070 340 A CA 0.178 52.237 52.037 0.037 0.000 0.770 340 A CB 0.418 19.450 19.000 0.053 0.000 1.008 340 A HN 0.101 nan 8.150 nan 0.000 0.497 341 Q N 0.202 120.020 119.800 0.031 0.000 2.205 341 Q HA 0.165 4.505 4.340 0.000 0.000 0.249 341 Q C 0.540 176.577 176.000 0.061 0.000 0.948 341 Q CA -0.479 55.355 55.803 0.053 0.000 0.895 341 Q CB 0.977 29.759 28.738 0.073 0.000 1.249 341 Q HN 0.860 nan 8.270 nan 0.000 0.458 342 Y N 2.357 122.644 120.300 -0.022 0.000 2.102 342 Y HA -0.344 4.206 4.550 0.000 0.000 0.280 342 Y C 1.325 177.220 175.900 -0.008 0.000 1.178 342 Y CA 2.476 60.563 58.100 -0.021 0.000 1.146 342 Y CB 0.255 38.702 38.460 -0.021 0.000 0.968 342 Y HN 0.650 nan 8.280 nan 0.000 0.504 343 D N -0.374 120.120 120.400 0.157 0.000 2.117 343 D HA -0.137 4.503 4.640 0.000 0.000 0.198 343 D C 2.242 178.545 176.300 0.004 0.000 0.982 343 D CA 1.082 55.134 54.000 0.087 0.000 0.828 343 D CB -0.213 40.679 40.800 0.153 0.000 0.967 343 D HN 0.364 nan 8.370 nan 0.000 0.464 344 R N 0.589 121.112 120.500 0.039 0.000 2.092 344 R HA -0.026 4.314 4.340 0.000 0.000 0.231 344 R C 2.379 178.698 176.300 0.031 0.000 1.119 344 R CA 0.312 56.468 56.100 0.093 0.000 0.970 344 R CB -0.692 29.716 30.300 0.181 0.000 0.864 344 R HN 0.153 nan 8.270 nan 0.000 0.440 345 V N 1.284 121.095 119.914 -0.173 0.000 2.307 345 V HA -0.242 3.878 4.120 0.000 0.000 0.245 345 V C 2.501 178.519 176.094 -0.126 0.000 1.045 345 V CA 1.470 63.580 62.300 -0.318 0.000 1.024 345 V CB -0.346 31.315 31.823 -0.269 0.000 0.651 345 V HN 0.178 nan 8.190 nan 0.000 0.449 346 M N -0.529 118.953 119.600 -0.197 0.000 2.159 346 M HA -0.169 4.311 4.480 0.000 0.000 0.263 346 M C 2.103 178.420 176.300 0.028 0.000 1.063 346 M CA 1.584 56.803 55.300 -0.135 0.000 1.110 346 M CB -1.216 31.170 32.600 -0.356 0.000 1.374 346 M HN 0.439 nan 8.290 nan 0.000 0.411 347 E N -0.470 119.746 120.200 0.026 0.000 2.107 347 E HA -0.144 4.206 4.350 0.000 0.000 0.191 347 E C 1.723 178.391 176.600 0.112 0.000 0.982 347 E CA 1.009 57.454 56.400 0.076 0.000 0.809 347 E CB 0.225 29.968 29.700 0.072 0.000 0.756 347 E HN 0.606 nan 8.360 nan 0.000 0.459 348 E N -0.223 120.066 120.200 0.149 0.000 2.357 348 E HA 0.089 4.439 4.350 0.000 0.000 0.202 348 E C 2.033 178.758 176.600 0.207 0.000 0.855 348 E CA -0.159 56.355 56.400 0.190 0.000 1.048 348 E CB 0.127 29.988 29.700 0.268 0.000 1.037 348 E HN 0.059 nan 8.360 nan 0.000 0.499 349 L N 0.729 122.088 121.223 0.227 0.000 2.005 349 L HA -0.140 4.200 4.340 0.000 0.000 0.207 349 L C 2.535 179.463 176.870 0.096 0.000 1.072 349 L CA 1.323 56.260 54.840 0.162 0.000 0.744 349 L CB -0.199 41.907 42.059 0.078 0.000 0.895 349 L HN 0.186 nan 8.230 nan 0.000 0.433 350 Y N 1.253 121.562 120.300 0.015 0.000 2.114 350 Y HA -0.237 4.313 4.550 0.000 0.000 0.282 350 Y C -0.598 175.318 175.900 0.027 0.000 1.165 350 Y CA 2.036 60.142 58.100 0.010 0.000 1.148 350 Y CB -1.388 37.061 38.460 -0.017 0.000 0.972 350 Y HN 0.204 nan 8.280 nan 0.000 0.504 351 P HA -0.167 nan 4.420 nan 0.000 0.218 351 P C 1.077 178.282 177.300 -0.158 0.000 1.148 351 P CA 2.051 65.057 63.100 -0.157 0.000 0.822 351 P CB -0.085 31.615 31.700 -0.000 0.000 0.784 352 R N -1.217 119.232 120.500 -0.086 0.000 2.073 352 R HA -0.045 4.295 4.340 0.000 0.000 0.229 352 R C 2.193 178.437 176.300 -0.093 0.000 1.120 352 R CA 0.810 56.881 56.100 -0.049 0.000 0.967 352 R CB -1.202 29.114 30.300 0.026 0.000 0.862 352 R HN 0.171 nan 8.270 nan 0.000 0.436 353 L N 1.891 123.028 121.223 -0.143 0.000 1.994 353 L HA -0.181 4.159 4.340 0.000 0.000 0.208 353 L C 2.285 179.038 176.870 -0.194 0.000 1.071 353 L CA 1.896 56.652 54.840 -0.139 0.000 0.745 353 L CB -0.529 41.470 42.059 -0.098 0.000 0.892 353 L HN -0.015 nan 8.230 nan 0.000 0.431 354 K N -1.097 119.069 120.400 -0.389 0.000 2.059 354 K HA -0.250 4.070 4.320 0.000 0.000 0.212 354 K C 2.337 178.835 176.600 -0.171 0.000 1.050 354 K CA 1.939 58.032 56.287 -0.324 0.000 0.927 354 K CB -0.425 31.781 32.500 -0.491 0.000 0.714 354 K HN 0.466 nan 8.250 nan 0.000 0.447 355 S N 0.248 115.859 115.700 -0.149 0.000 2.368 355 S HA -0.050 4.420 4.470 0.000 0.000 0.224 355 S C 1.941 176.496 174.600 -0.076 0.000 1.029 355 S CA 0.912 59.057 58.200 -0.091 0.000 0.988 355 S CB -0.225 62.938 63.200 -0.061 0.000 0.838 355 S HN 0.376 nan 8.310 nan 0.000 0.462 356 L N 0.818 122.000 121.223 -0.069 0.000 2.083 356 L HA -0.073 4.267 4.340 0.000 0.000 0.209 356 L C 2.764 179.595 176.870 -0.065 0.000 1.083 356 L CA 1.520 56.324 54.840 -0.060 0.000 0.752 356 L CB -0.982 41.039 42.059 -0.063 0.000 0.899 356 L HN 0.344 nan 8.230 nan 0.000 0.433 357 T N 0.056 114.573 114.554 -0.062 0.000 2.770 357 T HA -0.077 4.273 4.350 0.000 0.000 0.263 357 T C 2.005 176.622 174.700 -0.139 0.000 1.039 357 T CA 0.899 62.982 62.100 -0.028 0.000 1.142 357 T CB -0.159 68.725 68.868 0.027 0.000 0.868 357 T HN 0.164 nan 8.240 nan 0.000 0.435 358 L N 0.508 121.641 121.223 -0.149 0.000 2.042 358 L HA -0.113 4.227 4.340 0.000 0.000 0.210 358 L C 2.509 179.247 176.870 -0.221 0.000 1.076 358 L CA 1.059 55.776 54.840 -0.206 0.000 0.749 358 L CB -0.655 41.320 42.059 -0.141 0.000 0.893 358 L HN 0.244 nan 8.230 nan 0.000 0.432 359 L N 0.282 121.419 121.223 -0.143 0.000 2.017 359 L HA -0.149 4.191 4.340 0.000 0.000 0.208 359 L C 2.680 179.517 176.870 -0.055 0.000 1.073 359 L CA 2.030 56.809 54.840 -0.102 0.000 0.745 359 L CB -0.731 41.274 42.059 -0.091 0.000 0.894 359 L HN 0.148 nan 8.230 nan 0.000 0.432 360 A N -0.554 122.225 122.820 -0.068 0.000 1.940 360 A HA -0.247 4.073 4.320 0.000 0.000 0.219 360 A C 2.534 180.020 177.584 -0.163 0.000 1.176 360 A CA 1.784 53.826 52.037 0.009 0.000 0.631 360 A CB -0.687 18.380 19.000 0.112 0.000 0.814 360 A HN 0.472 nan 8.150 nan 0.000 0.446 361 R N -0.211 119.893 120.500 -0.659 0.000 2.092 361 R HA -0.130 4.210 4.340 0.000 0.000 0.231 361 R C 2.142 178.062 176.300 -0.635 0.000 1.119 361 R CA 1.775 57.089 56.100 -1.310 0.000 0.970 361 R CB -0.396 28.984 30.300 -1.533 0.000 0.864 361 R HN 0.736 nan 8.270 nan 0.000 0.440 362 Q N -1.045 118.514 119.800 -0.402 0.000 2.124 362 Q HA -0.179 4.161 4.340 0.000 0.000 0.202 362 Q C 1.311 177.123 176.000 -0.314 0.000 0.977 362 Q CA 1.702 57.297 55.803 -0.347 0.000 0.850 362 Q CB -0.034 28.477 28.738 -0.379 0.000 0.901 362 Q HN 0.471 nan 8.270 nan 0.000 0.429 363 Y N -0.169 120.069 120.300 -0.103 0.000 2.482 363 Y HA -0.003 4.547 4.550 0.000 0.000 0.270 363 Y C 0.075 175.995 175.900 0.033 0.000 1.152 363 Y CA 0.088 58.176 58.100 -0.021 0.000 1.292 363 Y CB 0.578 39.035 38.460 -0.004 0.000 1.070 363 Y HN 0.064 nan 8.280 nan 0.000 0.528 364 D N 1.216 121.713 120.400 0.162 0.000 2.697 364 D HA -0.207 4.433 4.640 0.000 0.000 0.238 364 D C -0.543 175.962 176.300 0.340 0.000 1.152 364 D CA 0.718 54.919 54.000 0.335 0.000 0.666 364 D CB -1.222 39.730 40.800 0.254 0.000 1.037 364 D HN 0.548 nan 8.370 nan 0.000 0.423 365 I N -2.973 117.816 120.570 0.366 0.000 2.693 365 I HA 0.777 4.948 4.170 0.000 0.000 0.303 365 I C 1.062 177.342 176.117 0.273 0.000 1.025 365 I CA -0.837 60.609 61.300 0.243 0.000 1.086 365 I CB 1.979 40.077 38.000 0.164 0.000 1.268 365 I HN 0.034 nan 8.210 nan 0.000 0.440 366 G N 4.480 113.331 108.800 0.086 0.000 2.380 366 G HA2 0.380 4.340 3.960 0.000 0.000 0.242 366 G HA3 0.380 4.340 3.960 0.000 0.000 0.242 366 G C -0.751 174.200 174.900 0.086 0.000 1.298 366 G CA -0.378 44.728 45.100 0.009 0.000 0.878 366 G HN 0.757 nan 8.290 nan 0.000 0.542 367 I N 1.987 122.616 120.570 0.098 0.000 2.439 367 I HA 0.303 4.474 4.170 0.000 0.000 0.283 367 I C -0.749 175.398 176.117 0.050 0.000 1.023 367 I CA -0.985 60.362 61.300 0.079 0.000 1.100 367 I CB 1.394 39.465 38.000 0.118 0.000 1.238 367 I HN 0.482 nan 8.210 nan 0.000 0.445 368 N N 7.073 125.789 118.700 0.027 0.000 2.421 368 N HA 0.465 5.205 4.740 0.000 0.000 0.285 368 N C -1.062 174.460 175.510 0.021 0.000 1.027 368 N CA -0.489 52.584 53.050 0.039 0.000 0.918 368 N CB 1.285 39.800 38.487 0.048 0.000 1.152 368 N HN 0.517 nan 8.380 nan 0.000 0.485 369 I N 2.532 123.128 120.570 0.044 0.000 2.291 369 I HA 0.136 4.306 4.170 0.000 0.000 0.292 369 I C -0.190 175.863 176.117 -0.108 0.000 1.064 369 I CA -0.654 60.645 61.300 -0.002 0.000 1.269 369 I CB 0.348 38.421 38.000 0.121 0.000 1.418 369 I HN 0.454 nan 8.210 nan 0.000 0.485 370 D N 5.499 125.873 120.400 -0.043 0.000 2.443 370 D HA 0.224 4.865 4.640 0.000 0.000 0.239 370 D C 0.237 176.482 176.300 -0.092 0.000 1.136 370 D CA 0.220 54.206 54.000 -0.023 0.000 0.879 370 D CB 1.051 41.911 40.800 0.100 0.000 1.195 370 D HN 0.567 nan 8.370 nan 0.000 0.443 371 A N 2.538 125.294 122.820 -0.107 0.000 2.328 371 A HA 0.393 4.713 4.320 0.000 0.000 0.284 371 A C 0.512 178.094 177.584 -0.002 0.000 1.160 371 A CA -0.403 51.571 52.037 -0.105 0.000 0.818 371 A CB 0.694 19.617 19.000 -0.128 0.000 1.087 371 A HN 0.567 nan 8.150 nan 0.000 0.504 372 E N 0.563 120.715 120.200 -0.081 0.000 4.050 372 E HA 0.197 4.547 4.350 0.000 0.000 0.283 372 E C -0.287 175.989 176.600 -0.540 0.000 0.811 372 E CA -0.786 55.398 56.400 -0.360 0.000 1.609 372 E CB -0.036 29.579 29.700 -0.142 0.000 2.009 372 E HN 0.846 nan 8.360 nan 0.000 0.442 373 E N 1.456 121.383 120.200 -0.456 0.000 2.390 373 E HA 0.013 4.364 4.350 0.000 0.000 0.261 373 E C 0.651 177.191 176.600 -0.100 0.000 1.076 373 E CA 0.255 56.481 56.400 -0.290 0.000 0.905 373 E CB 1.345 30.937 29.700 -0.179 0.000 0.984 373 E HN 0.431 nan 8.360 nan 0.000 0.427 374 S N 1.788 117.472 115.700 -0.028 0.000 2.399 374 S HA -0.220 4.250 4.470 0.000 0.000 0.231 374 S C 1.076 175.694 174.600 0.030 0.000 1.022 374 S CA 1.303 59.521 58.200 0.030 0.000 0.983 374 S CB -0.393 62.857 63.200 0.083 0.000 0.803 374 S HN 0.692 nan 8.310 nan 0.000 0.480 375 D N 0.777 121.198 120.400 0.034 0.000 2.363 375 D HA -0.044 4.596 4.640 0.000 0.000 0.226 375 D C 1.556 177.833 176.300 -0.039 0.000 1.020 375 D CA 0.231 54.260 54.000 0.047 0.000 0.892 375 D CB -0.280 40.539 40.800 0.033 0.000 0.900 375 D HN 0.262 nan 8.370 nan 0.000 0.531 376 R N -0.206 120.256 120.500 -0.063 0.000 2.334 376 R HA 0.186 4.526 4.340 0.000 0.000 0.216 376 R C 1.712 178.019 176.300 0.011 0.000 0.905 376 R CA -0.231 55.819 56.100 -0.084 0.000 1.064 376 R CB -0.418 29.838 30.300 -0.074 0.000 1.046 376 R HN 0.223 nan 8.270 nan 0.000 0.508 377 L N 1.826 123.044 121.223 -0.007 0.000 1.989 377 L HA -0.156 4.184 4.340 0.000 0.000 0.211 377 L C 1.950 178.835 176.870 0.026 0.000 1.071 377 L CA 1.984 56.835 54.840 0.018 0.000 0.749 377 L CB -0.261 41.768 42.059 -0.050 0.000 0.890 377 L HN 0.018 nan 8.230 nan 0.000 0.431 378 E N -0.490 119.683 120.200 -0.045 0.000 2.077 378 E HA -0.233 4.118 4.350 0.000 0.000 0.193 378 E C 2.246 178.854 176.600 0.012 0.000 0.989 378 E CA 1.679 58.048 56.400 -0.052 0.000 0.800 378 E CB -0.391 29.267 29.700 -0.071 0.000 0.746 378 E HN 0.565 nan 8.360 nan 0.000 0.452 379 I N 1.282 121.877 120.570 0.041 0.000 2.439 379 I HA -0.215 3.955 4.170 0.000 0.000 0.251 379 I C 2.402 178.601 176.117 0.137 0.000 1.139 379 I CA 1.275 62.625 61.300 0.082 0.000 1.438 379 I CB -0.282 37.744 38.000 0.043 0.000 1.085 379 I HN 0.000 nan 8.210 nan 0.000 0.427 380 S N 0.312 116.126 115.700 0.191 0.000 2.382 380 S HA -0.169 4.301 4.470 0.000 0.000 0.228 380 S C 2.020 176.780 174.600 0.266 0.000 1.027 380 S CA 1.371 59.746 58.200 0.291 0.000 0.991 380 S CB -1.036 62.375 63.200 0.350 0.000 0.823 380 S HN 0.514 nan 8.310 nan 0.000 0.469 381 L N 1.231 122.544 121.223 0.149 0.000 2.156 381 L HA -0.045 4.295 4.340 0.000 0.000 0.208 381 L C 2.293 179.163 176.870 -0.001 0.000 1.095 381 L CA 1.285 56.118 54.840 -0.013 0.000 0.770 381 L CB -0.640 41.301 42.059 -0.197 0.000 0.914 381 L HN 0.262 nan 8.230 nan 0.000 0.439 382 D N 0.257 120.678 120.400 0.035 0.000 2.144 382 D HA -0.122 4.518 4.640 0.000 0.000 0.200 382 D C 2.387 178.715 176.300 0.047 0.000 0.978 382 D CA 1.129 55.167 54.000 0.063 0.000 0.833 382 D CB -0.033 40.851 40.800 0.140 0.000 0.961 382 D HN 0.277 nan 8.370 nan 0.000 0.470 383 L N 0.460 121.732 121.223 0.081 0.000 2.072 383 L HA -0.064 4.276 4.340 0.000 0.000 0.205 383 L C 2.553 179.529 176.870 0.178 0.000 1.079 383 L CA 0.425 55.346 54.840 0.134 0.000 0.752 383 L CB -0.206 41.980 42.059 0.211 0.000 0.906 383 L HN 0.063 nan 8.230 nan 0.000 0.436 384 L N 0.120 121.423 121.223 0.134 0.000 2.012 384 L HA -0.269 4.072 4.340 0.000 0.000 0.210 384 L C 2.597 179.523 176.870 0.092 0.000 1.073 384 L CA 1.905 56.785 54.840 0.067 0.000 0.748 384 L CB -0.180 41.773 42.059 -0.178 0.000 0.891 384 L HN 0.362 nan 8.230 nan 0.000 0.431 385 E N 0.553 120.830 120.200 0.130 0.000 2.038 385 E HA -0.324 4.026 4.350 0.000 0.000 0.195 385 E C 2.202 178.958 176.600 0.261 0.000 1.000 385 E CA 2.138 58.671 56.400 0.222 0.000 0.803 385 E CB -0.169 29.669 29.700 0.228 0.000 0.750 385 E HN 0.312 nan 8.360 nan 0.000 0.448 386 K N -0.455 120.016 120.400 0.117 0.000 2.026 386 K HA -0.141 4.180 4.320 0.000 0.000 0.208 386 K C 2.209 178.930 176.600 0.201 0.000 1.048 386 K CA 1.267 57.572 56.287 0.031 0.000 0.929 386 K CB -0.330 31.926 32.500 -0.406 0.000 0.713 386 K HN 0.227 nan 8.250 nan 0.000 0.439 387 L N 1.038 122.438 121.223 0.296 0.000 2.127 387 L HA -0.222 4.119 4.340 0.000 0.000 0.211 387 L C 1.957 178.940 176.870 0.188 0.000 1.089 387 L CA 1.626 56.676 54.840 0.350 0.000 0.757 387 L CB -0.448 41.795 42.059 0.307 0.000 0.899 387 L HN 0.325 nan 8.230 nan 0.000 0.434 388 C N -1.308 118.055 119.300 0.105 0.000 2.456 388 C HA -0.015 4.445 4.460 0.000 0.000 0.279 388 C C 2.004 176.840 174.990 -0.256 0.000 1.427 388 C CA 0.236 59.194 59.018 -0.100 0.000 1.778 388 C CB -1.359 26.247 27.740 -0.223 0.000 1.842 388 C HN 0.511 nan 8.230 nan 0.000 0.531 389 F N 0.269 120.255 119.950 0.060 0.000 2.641 389 F HA 0.202 4.730 4.527 0.000 0.000 0.302 389 F C 0.922 176.759 175.800 0.062 0.000 1.098 389 F CA 0.055 58.083 58.000 0.047 0.000 1.318 389 F CB -0.051 38.966 39.000 0.027 0.000 1.035 389 F HN 0.054 nan 8.300 nan 0.000 0.551 390 E N 1.707 122.024 120.200 0.195 0.000 2.351 390 E HA 0.009 4.359 4.350 0.000 0.000 0.266 390 E C -1.588 175.074 176.600 0.104 0.000 1.031 390 E CA -1.364 55.130 56.400 0.156 0.000 0.911 390 E CB 0.654 30.441 29.700 0.144 0.000 0.986 390 E HN 0.125 nan 8.360 nan 0.000 0.446 391 P HA -0.181 nan 4.420 nan 0.000 0.216 391 P C 0.690 178.014 177.300 0.040 0.000 1.150 391 P CA 1.319 64.458 63.100 0.065 0.000 0.843 391 P CB 0.317 32.051 31.700 0.057 0.000 0.787 392 E N -1.145 119.070 120.200 0.026 0.000 2.418 392 E HA -0.035 4.315 4.350 0.000 0.000 0.197 392 E C 1.396 177.984 176.600 -0.020 0.000 1.026 392 E CA 0.491 56.884 56.400 -0.010 0.000 0.862 392 E CB -0.328 29.352 29.700 -0.032 0.000 0.799 392 E HN 0.305 nan 8.360 nan 0.000 0.518 393 L N 0.265 121.505 121.223 0.028 0.000 2.640 393 L HA 0.258 4.598 4.340 0.000 0.000 0.230 393 L C 0.746 177.687 176.870 0.119 0.000 1.123 393 L CA -0.618 54.272 54.840 0.082 0.000 0.900 393 L CB 0.219 42.349 42.059 0.118 0.000 1.146 393 L HN -0.031 nan 8.230 nan 0.000 0.484 394 A N 0.069 122.930 122.820 0.068 0.000 2.477 394 A HA 0.437 4.757 4.320 0.000 0.000 0.246 394 A C 1.436 179.068 177.584 0.080 0.000 1.078 394 A CA 0.701 52.770 52.037 0.052 0.000 0.770 394 A CB 0.022 19.044 19.000 0.036 0.000 1.011 394 A HN 0.541 nan 8.150 nan 0.000 0.494 395 G N 0.009 108.848 108.800 0.065 0.000 2.184 395 G HA2 -0.274 3.687 3.960 0.000 0.000 0.264 395 G HA3 -0.274 3.687 3.960 0.000 0.000 0.264 395 G C -0.067 174.917 174.900 0.140 0.000 0.975 395 G CA 0.733 45.878 45.100 0.075 0.000 0.642 395 G HN 1.404 nan 8.290 nan 0.000 0.536 396 W N 1.084 122.358 121.300 -0.043 0.000 2.529 396 W HA 0.760 5.421 4.660 0.000 0.000 0.321 396 W C 0.093 176.577 176.519 -0.058 0.000 1.047 396 W CA -1.186 56.131 57.345 -0.046 0.000 1.216 396 W CB 1.024 30.458 29.460 -0.043 0.000 1.357 396 W HN -0.071 nan 8.180 nan 0.000 0.489 397 N N 3.131 121.416 118.700 -0.693 0.000 2.282 397 N HA 0.121 4.861 4.740 0.000 0.000 0.240 397 N C 1.147 176.117 175.510 -0.900 0.000 1.182 397 N CA 0.227 52.931 53.050 -0.575 0.000 0.874 397 N CB 1.088 39.365 38.487 -0.350 0.000 1.126 397 N HN 0.727 nan 8.380 nan 0.000 0.516 398 G N 0.074 107.801 108.800 -1.789 0.000 2.880 398 G HA2 0.097 4.058 3.960 0.000 0.000 0.209 398 G HA3 0.097 4.058 3.960 0.000 0.000 0.209 398 G C 0.590 175.038 174.900 -0.752 0.000 1.157 398 G CA -0.120 43.943 45.100 -1.728 0.000 0.779 398 G HN 0.217 nan 8.290 nan 0.000 0.539 399 I N 2.004 122.317 120.570 -0.428 0.000 2.517 399 I HA 0.309 4.479 4.170 0.000 0.000 0.285 399 I C 0.970 177.054 176.117 -0.056 0.000 1.106 399 I CA -0.207 61.049 61.300 -0.073 0.000 1.402 399 I CB 0.958 38.970 38.000 0.020 0.000 1.399 399 I HN 0.017 nan 8.210 nan 0.000 0.535 400 G N 5.894 114.708 108.800 0.023 0.000 2.417 400 G HA2 0.669 4.629 3.960 0.000 0.000 0.334 400 G HA3 0.669 4.629 3.960 0.000 0.000 0.334 400 G C -1.559 173.464 174.900 0.206 0.000 1.150 400 G CA -0.302 44.842 45.100 0.074 0.000 0.923 400 G HN 0.417 nan 8.290 nan 0.000 0.485 401 F N 1.668 121.617 119.950 -0.003 0.000 2.604 401 F HA 0.462 4.989 4.527 0.000 0.000 0.316 401 F C -0.544 175.263 175.800 0.010 0.000 1.136 401 F CA -0.762 57.249 58.000 0.018 0.000 0.989 401 F CB 2.025 41.043 39.000 0.030 0.000 1.258 401 F HN 0.418 nan 8.300 nan 0.000 0.451 402 V N 6.789 126.461 119.914 -0.403 0.000 2.546 402 V HA 0.409 4.529 4.120 0.000 0.000 0.284 402 V C 0.209 176.114 176.094 -0.315 0.000 1.050 402 V CA -0.421 61.711 62.300 -0.280 0.000 0.981 402 V CB 1.107 32.801 31.823 -0.215 0.000 0.990 402 V HN 0.611 nan 8.190 nan 0.000 0.474 403 I N 2.149 122.671 120.570 -0.080 0.000 2.569 403 I HA 0.667 4.837 4.170 0.000 0.000 0.296 403 I C -0.654 175.465 176.117 0.003 0.000 1.028 403 I CA -0.899 60.404 61.300 0.005 0.000 1.082 403 I CB 1.990 40.052 38.000 0.103 0.000 1.264 403 I HN 0.486 nan 8.210 nan 0.000 0.429 404 Q N 3.980 123.807 119.800 0.045 0.000 2.372 404 Q HA 0.502 4.842 4.340 0.000 0.000 0.259 404 Q C 0.746 176.838 176.000 0.152 0.000 0.993 404 Q CA -0.503 55.319 55.803 0.031 0.000 0.854 404 Q CB 2.130 30.893 28.738 0.042 0.000 1.231 404 Q HN 0.896 nan 8.270 nan 0.000 0.462 405 A N 2.896 125.805 122.820 0.149 0.000 2.121 405 A HA -0.183 4.137 4.320 0.000 0.000 0.218 405 A C 1.273 179.123 177.584 0.444 0.000 1.154 405 A CA 1.004 53.197 52.037 0.260 0.000 0.679 405 A CB -0.426 18.736 19.000 0.269 0.000 0.795 405 A HN 0.850 nan 8.150 nan 0.000 0.458 406 Y N -0.033 120.456 120.300 0.315 0.000 2.616 406 Y HA 0.191 4.741 4.550 0.001 0.000 0.296 406 Y C 0.517 176.608 175.900 0.319 0.000 1.154 406 Y CA -0.581 57.765 58.100 0.409 0.000 1.325 406 Y CB -1.346 37.331 38.460 0.362 0.000 1.007 406 Y HN 0.398 nan 8.280 nan 0.000 0.542 407 Q N 1.333 121.465 119.800 0.553 0.000 2.259 407 Q HA 0.142 4.483 4.340 0.000 0.000 0.249 407 Q C 0.569 176.634 176.000 0.110 0.000 0.914 407 Q CA -0.372 55.561 55.803 0.216 0.000 0.904 407 Q CB 1.555 30.427 28.738 0.223 0.000 1.213 407 Q HN 0.249 nan 8.270 nan 0.000 0.428 408 K N 1.329 121.669 120.400 -0.101 0.000 2.209 408 K HA -0.173 4.147 4.320 0.000 0.000 0.204 408 K C 1.617 178.267 176.600 0.084 0.000 1.048 408 K CA 1.306 57.564 56.287 -0.048 0.000 0.940 408 K CB 0.119 32.556 32.500 -0.106 0.000 0.729 408 K HN 0.359 nan 8.250 nan 0.000 0.451 409 R N -0.219 120.324 120.500 0.071 0.000 2.236 409 R HA -0.005 4.335 4.340 0.000 0.000 0.208 409 R C 2.251 178.606 176.300 0.091 0.000 1.036 409 R CA 0.491 56.625 56.100 0.058 0.000 1.001 409 R CB -0.607 29.685 30.300 -0.013 0.000 0.896 409 R HN 0.249 nan 8.270 nan 0.000 0.464 410 C N 1.534 120.914 119.300 0.132 0.000 2.376 410 C HA -0.100 4.360 4.460 0.000 0.000 0.275 410 C C -0.563 174.497 174.990 0.117 0.000 1.200 410 C CA 1.156 60.257 59.018 0.138 0.000 1.756 410 C CB -0.902 26.941 27.740 0.172 0.000 2.050 410 C HN 0.302 nan 8.230 nan 0.000 0.460 411 P HA -0.074 nan 4.420 nan 0.000 0.218 411 P C 1.580 178.931 177.300 0.086 0.000 1.148 411 P CA 1.313 64.468 63.100 0.092 0.000 0.822 411 P CB -0.249 31.506 31.700 0.092 0.000 0.784 412 L N -1.480 119.796 121.223 0.088 0.000 2.179 412 L HA -0.038 4.302 4.340 0.000 0.000 0.208 412 L C 2.357 179.293 176.870 0.110 0.000 1.096 412 L CA 1.309 56.200 54.840 0.084 0.000 0.779 412 L CB -1.707 40.390 42.059 0.064 0.000 0.922 412 L HN -0.079 nan 8.230 nan 0.000 0.443 413 V N 0.323 120.306 119.914 0.114 0.000 2.407 413 V HA -0.271 3.850 4.120 0.000 0.000 0.248 413 V C 2.550 178.755 176.094 0.186 0.000 1.055 413 V CA 1.457 63.857 62.300 0.167 0.000 1.049 413 V CB -0.302 31.623 31.823 0.169 0.000 0.662 413 V HN 0.269 nan 8.190 nan 0.000 0.455 414 I N 0.174 120.819 120.570 0.124 0.000 2.226 414 I HA -0.241 3.929 4.170 0.000 0.000 0.245 414 I C 2.299 178.451 176.117 0.060 0.000 1.100 414 I CA 1.625 62.974 61.300 0.081 0.000 1.374 414 I CB -0.506 37.527 38.000 0.055 0.000 1.057 414 I HN 0.311 nan 8.210 nan 0.000 0.413 415 D N 0.002 120.447 120.400 0.074 0.000 2.149 415 D HA -0.243 4.397 4.640 0.000 0.000 0.198 415 D C 1.889 178.221 176.300 0.053 0.000 0.990 415 D CA 1.354 55.387 54.000 0.055 0.000 0.839 415 D CB -0.350 40.489 40.800 0.066 0.000 0.948 415 D HN 0.423 nan 8.370 nan 0.000 0.460 416 Y N 1.308 121.611 120.300 0.005 0.000 2.200 416 Y HA -0.103 4.447 4.550 0.000 0.000 0.290 416 Y C 2.097 177.985 175.900 -0.020 0.000 1.137 416 Y CA 1.214 59.311 58.100 -0.005 0.000 1.163 416 Y CB -0.425 38.030 38.460 -0.009 0.000 0.988 416 Y HN -0.105 nan 8.280 nan 0.000 0.518 417 L N -0.288 120.807 121.223 -0.213 0.000 2.093 417 L HA -0.200 4.141 4.340 0.000 0.000 0.208 417 L C 2.469 179.192 176.870 -0.245 0.000 1.085 417 L CA 1.323 55.986 54.840 -0.294 0.000 0.755 417 L CB -0.558 41.456 42.059 -0.074 0.000 0.904 417 L HN 0.271 nan 8.230 nan 0.000 0.435 418 I N 0.221 120.706 120.570 -0.142 0.000 2.163 418 I HA -0.341 3.830 4.170 0.000 0.000 0.243 418 I C 2.223 178.261 176.117 -0.131 0.000 1.085 418 I CA 1.837 63.075 61.300 -0.103 0.000 1.347 418 I CB -0.261 37.708 38.000 -0.051 0.000 1.044 418 I HN 0.314 nan 8.210 nan 0.000 0.408 419 D N 0.580 120.885 120.400 -0.158 0.000 2.144 419 D HA -0.222 4.418 4.640 0.000 0.000 0.199 419 D C 2.041 178.225 176.300 -0.193 0.000 0.984 419 D CA 0.905 54.819 54.000 -0.143 0.000 0.834 419 D CB 0.077 40.815 40.800 -0.103 0.000 0.955 419 D HN 0.176 nan 8.370 nan 0.000 0.465 420 L N 0.139 121.143 121.223 -0.365 0.000 2.109 420 L HA 0.119 4.459 4.340 0.000 0.000 0.207 420 L C 2.092 178.824 176.870 -0.231 0.000 1.086 420 L CA 1.854 56.498 54.840 -0.327 0.000 0.760 420 L CB -0.804 40.928 42.059 -0.545 0.000 0.910 420 L HN 0.073 nan 8.230 nan 0.000 0.437 421 A N -1.377 121.318 122.820 -0.208 0.000 1.930 421 A HA -0.162 4.158 4.320 0.000 0.000 0.217 421 A C 2.233 179.742 177.584 -0.124 0.000 1.175 421 A CA 2.137 54.078 52.037 -0.160 0.000 0.627 421 A CB -1.164 17.764 19.000 -0.121 0.000 0.815 421 A HN 0.504 nan 8.150 nan 0.000 0.443 422 T N -0.166 114.329 114.554 -0.097 0.000 2.643 422 T HA -0.151 4.199 4.350 0.000 0.000 0.264 422 T C 2.072 176.748 174.700 -0.040 0.000 1.045 422 T CA 1.671 63.736 62.100 -0.058 0.000 1.155 422 T CB -0.243 68.600 68.868 -0.043 0.000 0.863 422 T HN 0.516 nan 8.240 nan 0.000 0.420 423 R N 1.232 121.722 120.500 -0.017 0.000 2.115 423 R HA -0.006 4.334 4.340 0.000 0.000 0.230 423 R C 2.670 178.991 176.300 0.035 0.000 1.111 423 R CA 1.475 57.627 56.100 0.087 0.000 0.976 423 R CB -0.203 30.234 30.300 0.229 0.000 0.870 423 R HN 0.451 nan 8.270 nan 0.000 0.445 424 S N 0.055 115.616 115.700 -0.233 0.000 2.575 424 S HA 0.085 4.555 4.470 0.000 0.000 0.215 424 S C 0.195 174.624 174.600 -0.285 0.000 0.966 424 S CA -0.458 57.392 58.200 -0.584 0.000 0.911 424 S CB 0.102 62.748 63.200 -0.923 0.000 0.780 424 S HN 0.205 nan 8.310 nan 0.000 0.514 425 R N 1.246 121.656 120.500 -0.151 0.000 3.146 425 R HA -0.167 4.173 4.340 0.000 0.000 0.250 425 R C -0.252 175.993 176.300 -0.092 0.000 0.912 425 R CA 0.994 57.040 56.100 -0.089 0.000 0.633 425 R CB -1.925 28.346 30.300 -0.050 0.000 1.180 425 R HN 0.875 nan 8.270 nan 0.000 0.464 426 R N -0.765 119.672 120.500 -0.104 0.000 2.716 426 R HA 0.497 4.837 4.340 0.000 0.000 0.271 426 R C -1.292 174.956 176.300 -0.087 0.000 1.028 426 R CA -1.279 54.762 56.100 -0.098 0.000 0.883 426 R CB 1.487 31.713 30.300 -0.123 0.000 1.250 426 R HN 0.167 nan 8.270 nan 0.000 0.465 427 R N 2.223 122.675 120.500 -0.080 0.000 2.255 427 R HA 0.378 4.719 4.340 0.000 0.000 0.326 427 R C -0.784 175.470 176.300 -0.077 0.000 0.986 427 R CA -0.525 55.544 56.100 -0.052 0.000 0.847 427 R CB 0.825 31.119 30.300 -0.010 0.000 1.111 427 R HN 0.580 nan 8.270 nan 0.000 0.452 428 L N 5.287 126.475 121.223 -0.058 0.000 2.350 428 L HA 0.343 4.683 4.340 0.000 0.000 0.275 428 L C 0.343 177.213 176.870 -0.001 0.000 1.099 428 L CA -0.403 54.403 54.840 -0.056 0.000 0.808 428 L CB 1.445 43.469 42.059 -0.058 0.000 1.149 428 L HN 0.537 nan 8.230 nan 0.000 0.442 429 M N 4.749 124.345 119.600 -0.006 0.000 2.105 429 M HA 0.333 4.813 4.480 0.000 0.000 0.350 429 M C -0.856 175.463 176.300 0.032 0.000 1.308 429 M CA -0.022 55.313 55.300 0.059 0.000 1.108 429 M CB 0.645 33.263 32.600 0.030 0.000 1.622 429 M HN 0.287 nan 8.290 nan 0.000 0.468 430 I N 4.002 124.556 120.570 -0.027 0.000 2.411 430 I HA 0.355 4.525 4.170 0.000 0.000 0.284 430 I C -0.022 176.007 176.117 -0.147 0.000 1.012 430 I CA -0.380 60.899 61.300 -0.036 0.000 1.119 430 I CB 1.377 39.356 38.000 -0.035 0.000 1.261 430 I HN 0.717 nan 8.210 nan 0.000 0.448 431 R N 5.551 125.996 120.500 -0.091 0.000 2.248 431 R HA 0.348 4.688 4.340 0.000 0.000 0.328 431 R C -1.007 175.226 176.300 -0.113 0.000 1.067 431 R CA -0.634 55.395 56.100 -0.118 0.000 0.924 431 R CB 0.762 31.030 30.300 -0.054 0.000 1.013 431 R HN 0.436 nan 8.270 nan 0.000 0.454 432 L N 6.904 128.033 121.223 -0.158 0.000 2.264 432 L HA 0.352 4.692 4.340 0.000 0.000 0.289 432 L C -0.679 176.228 176.870 0.062 0.000 1.044 432 L CA -0.335 54.428 54.840 -0.128 0.000 0.807 432 L CB 1.477 43.364 42.059 -0.287 0.000 1.192 432 L HN 0.455 nan 8.230 nan 0.000 0.425 433 V N 2.360 122.326 119.914 0.087 0.000 3.126 433 V HA 0.633 4.753 4.120 0.000 0.000 0.314 433 V C 0.709 176.911 176.094 0.180 0.000 1.138 433 V CA -0.621 61.777 62.300 0.162 0.000 1.034 433 V CB 1.806 33.617 31.823 -0.021 0.000 1.075 433 V HN 0.782 nan 8.190 nan 0.000 0.442 434 K N 1.174 121.619 120.400 0.076 0.000 2.020 434 K HA 0.582 4.902 4.320 0.000 0.000 0.206 434 K C 0.732 177.063 176.600 -0.448 0.000 1.038 434 K CA 1.101 57.376 56.287 -0.020 0.000 0.947 434 K CB -0.059 32.414 32.500 -0.046 0.000 0.744 434 K HN 1.357 nan 8.250 nan 0.000 0.442 435 G N -1.165 107.324 108.800 -0.519 0.000 2.352 435 G HA2 0.309 4.269 3.960 0.000 0.000 0.303 435 G HA3 0.309 4.269 3.960 0.000 0.000 0.303 435 G C -0.672 174.049 174.900 -0.298 0.000 1.593 435 G CA -0.302 44.286 45.100 -0.854 0.000 0.963 435 G HN 0.156 nan 8.290 nan 0.000 0.685 436 A N -0.291 122.512 122.820 -0.029 0.000 2.288 436 A HA 0.533 4.854 4.320 0.000 0.000 0.216 436 A C 0.737 178.238 177.584 -0.138 0.000 1.199 436 A CA 0.642 52.588 52.037 -0.151 0.000 0.891 436 A CB 0.087 18.840 19.000 -0.411 0.000 0.923 436 A HN 0.853 nan 8.150 nan 0.000 0.500 437 Y N -2.879 117.632 120.300 0.353 0.000 2.681 437 Y HA 0.172 4.722 4.550 0.000 0.000 0.267 437 Y C 1.199 177.268 175.900 0.281 0.000 1.166 437 Y CA -1.491 56.775 58.100 0.276 0.000 1.209 437 Y CB -0.510 38.081 38.460 0.219 0.000 1.161 437 Y HN 0.550 nan 8.280 nan 0.000 0.534 438 W N 1.766 123.272 121.300 0.344 0.000 2.335 438 W HA -0.220 4.440 4.660 0.000 0.000 0.311 438 W C 1.094 177.643 176.519 0.050 0.000 1.213 438 W CA 2.508 59.938 57.345 0.142 0.000 1.274 438 W CB -0.113 29.472 29.460 0.207 0.000 1.148 438 W HN 0.191 nan 8.180 nan 0.000 0.498 439 D N -0.752 119.739 120.400 0.152 0.000 2.097 439 D HA -0.205 4.435 4.640 0.000 0.000 0.195 439 D C 2.327 178.521 176.300 -0.176 0.000 0.989 439 D CA 2.273 56.217 54.000 -0.094 0.000 0.827 439 D CB -0.516 40.348 40.800 0.107 0.000 0.966 439 D HN 0.030 nan 8.370 nan 0.000 0.456 440 S N 0.179 115.860 115.700 -0.031 0.000 2.383 440 S HA -0.118 4.352 4.470 0.000 0.000 0.227 440 S C 1.730 176.289 174.600 -0.069 0.000 1.026 440 S CA 0.682 58.876 58.200 -0.010 0.000 0.981 440 S CB -0.130 63.132 63.200 0.103 0.000 0.818 440 S HN 0.245 nan 8.310 nan 0.000 0.472 441 E N 1.138 121.269 120.200 -0.115 0.000 2.077 441 E HA -0.082 4.268 4.350 0.000 0.000 0.193 441 E C 2.074 178.556 176.600 -0.197 0.000 0.989 441 E CA 0.716 57.022 56.400 -0.157 0.000 0.800 441 E CB -0.297 29.263 29.700 -0.233 0.000 0.746 441 E HN 0.386 nan 8.360 nan 0.000 0.452 442 I N 1.858 122.184 120.570 -0.407 0.000 2.127 442 I HA -0.275 3.895 4.170 0.000 0.000 0.241 442 I C 2.213 178.262 176.117 -0.114 0.000 1.075 442 I CA 1.374 62.462 61.300 -0.354 0.000 1.334 442 I CB -0.981 36.526 38.000 -0.821 0.000 1.040 442 I HN 0.102 nan 8.210 nan 0.000 0.405 443 K N 0.249 120.558 120.400 -0.152 0.000 2.063 443 K HA -0.223 4.098 4.320 0.000 0.000 0.208 443 K C 2.168 178.737 176.600 -0.053 0.000 1.048 443 K CA 1.167 57.408 56.287 -0.077 0.000 0.928 443 K CB -0.355 32.106 32.500 -0.065 0.000 0.713 443 K HN 0.122 nan 8.250 nan 0.000 0.442 444 R N 1.611 122.076 120.500 -0.058 0.000 2.073 444 R HA -0.076 4.265 4.340 0.000 0.000 0.234 444 R C 2.070 178.324 176.300 -0.076 0.000 1.134 444 R CA 1.826 57.895 56.100 -0.053 0.000 0.952 444 R CB -0.758 29.515 30.300 -0.045 0.000 0.850 444 R HN 0.199 nan 8.270 nan 0.000 0.433 445 A N 0.093 122.864 122.820 -0.083 0.000 1.968 445 A HA -0.112 4.209 4.320 0.000 0.000 0.217 445 A C 2.034 179.487 177.584 -0.219 0.000 1.169 445 A CA 1.284 53.213 52.037 -0.180 0.000 0.638 445 A CB -0.374 18.485 19.000 -0.235 0.000 0.812 445 A HN 0.536 nan 8.150 nan 0.000 0.446 446 Q N -1.131 118.602 119.800 -0.113 0.000 2.167 446 Q HA -0.020 4.321 4.340 0.000 0.000 0.202 446 Q C 1.987 177.937 176.000 -0.083 0.000 0.970 446 Q CA 1.394 57.144 55.803 -0.088 0.000 0.855 446 Q CB -0.169 28.568 28.738 -0.002 0.000 0.911 446 Q HN 0.719 nan 8.270 nan 0.000 0.438 447 M N -0.062 119.495 119.600 -0.073 0.000 2.334 447 M HA -0.084 4.396 4.480 0.000 0.000 0.266 447 M C 0.858 177.114 176.300 -0.073 0.000 1.082 447 M CA 0.799 56.063 55.300 -0.061 0.000 1.141 447 M CB 0.244 32.817 32.600 -0.045 0.000 1.380 447 M HN -0.003 nan 8.290 nan 0.000 0.440 448 D N 0.524 120.867 120.400 -0.095 0.000 2.269 448 D HA -0.003 4.637 4.640 0.000 0.000 0.208 448 D C 1.257 177.488 176.300 -0.115 0.000 0.963 448 D CA 1.111 55.049 54.000 -0.103 0.000 0.864 448 D CB -0.338 40.387 40.800 -0.125 0.000 0.936 448 D HN 0.474 nan 8.370 nan 0.000 0.505 449 G N 0.754 109.475 108.800 -0.132 0.000 2.323 449 G HA2 -0.291 3.669 3.960 0.000 0.000 0.292 449 G HA3 -0.291 3.669 3.960 0.000 0.000 0.292 449 G C 0.280 175.093 174.900 -0.145 0.000 1.040 449 G CA 0.246 45.267 45.100 -0.130 0.000 0.942 449 G HN 0.290 nan 8.290 nan 0.000 0.506 450 L N -1.007 120.102 121.223 -0.191 0.000 2.569 450 L HA 0.343 4.683 4.340 0.000 0.000 0.247 450 L C 2.204 178.953 176.870 -0.202 0.000 1.135 450 L CA -0.067 54.659 54.840 -0.191 0.000 0.812 450 L CB 0.269 42.194 42.059 -0.224 0.000 1.431 450 L HN 0.399 nan 8.230 nan 0.000 0.499 451 E N -0.997 119.098 120.200 -0.174 0.000 2.267 451 E HA 0.065 4.415 4.350 0.000 0.000 0.197 451 E C 0.590 177.100 176.600 -0.151 0.000 0.998 451 E CA 0.591 56.909 56.400 -0.136 0.000 0.830 451 E CB -0.602 29.035 29.700 -0.105 0.000 0.751 451 E HN 0.917 nan 8.360 nan 0.000 0.491 452 G N -1.524 107.140 108.800 -0.227 0.000 2.428 452 G HA2 0.459 4.419 3.960 0.000 0.000 0.304 452 G HA3 0.459 4.419 3.960 0.000 0.000 0.304 452 G C -1.638 173.052 174.900 -0.349 0.000 1.303 452 G CA -0.794 44.165 45.100 -0.236 0.000 0.825 452 G HN 0.185 nan 8.290 nan 0.000 0.484 453 Y N 0.843 121.098 120.300 -0.075 0.000 2.334 453 Y HA 0.416 4.966 4.550 0.000 0.000 0.328 453 Y C -1.059 174.785 175.900 -0.093 0.000 1.130 453 Y CA -1.671 56.371 58.100 -0.095 0.000 1.163 453 Y CB 2.320 40.735 38.460 -0.075 0.000 1.207 453 Y HN 0.302 nan 8.280 nan 0.000 0.471 454 P HA -0.050 nan 4.420 nan 0.000 0.236 454 P C -0.099 177.193 177.300 -0.013 0.000 1.177 454 P CA 0.812 63.968 63.100 0.093 0.000 0.773 454 P CB 0.352 32.169 31.700 0.195 0.000 0.878 455 V N -4.136 115.741 119.914 -0.061 0.000 3.103 455 V HA 0.504 4.624 4.120 0.000 0.000 0.318 455 V C -0.207 175.832 176.094 -0.093 0.000 1.114 455 V CA -1.741 60.472 62.300 -0.145 0.000 1.020 455 V CB 0.758 32.430 31.823 -0.252 0.000 1.085 455 V HN -0.178 nan 8.190 nan 0.000 0.446 456 Y N 0.745 121.196 120.300 0.252 0.000 2.357 456 Y HA 0.382 4.932 4.550 0.000 0.000 0.340 456 Y C 1.994 178.090 175.900 0.327 0.000 1.260 456 Y CA 0.692 58.972 58.100 0.300 0.000 1.425 456 Y CB 1.293 39.960 38.460 0.345 0.000 1.326 456 Y HN 0.876 nan 8.280 nan 0.000 0.580 457 T N -2.302 112.499 114.554 0.412 0.000 3.001 457 T HA 0.299 4.649 4.350 0.000 0.000 0.251 457 T C 0.418 175.272 174.700 0.256 0.000 1.040 457 T CA -0.246 62.053 62.100 0.332 0.000 0.985 457 T CB 0.130 69.074 68.868 0.126 0.000 1.011 457 T HN 0.428 nan 8.240 nan 0.000 0.509 458 R N 1.216 121.718 120.500 0.004 0.000 2.393 458 R HA 0.435 4.776 4.340 0.000 0.000 0.310 458 R C 1.048 177.162 176.300 -0.310 0.000 0.968 458 R CA -0.818 55.091 56.100 -0.318 0.000 0.867 458 R CB 1.459 31.226 30.300 -0.889 0.000 1.124 458 R HN -0.069 nan 8.270 nan 0.000 0.450 459 K N 2.266 122.491 120.400 -0.292 0.000 2.063 459 K HA -0.128 4.192 4.320 0.000 0.000 0.208 459 K C 1.595 178.093 176.600 -0.170 0.000 1.048 459 K CA 1.566 57.706 56.287 -0.244 0.000 0.928 459 K CB 0.008 32.356 32.500 -0.253 0.000 0.713 459 K HN 0.443 nan 8.250 nan 0.000 0.442 460 V N 1.221 121.007 119.914 -0.213 0.000 2.453 460 V HA -0.256 3.864 4.120 0.000 0.000 0.252 460 V C 1.957 178.052 176.094 0.003 0.000 1.068 460 V CA 1.759 63.985 62.300 -0.124 0.000 1.070 460 V CB -0.499 31.247 31.823 -0.128 0.000 0.664 460 V HN 0.281 nan 8.190 nan 0.000 0.461 461 Y N 0.613 120.836 120.300 -0.128 0.000 2.242 461 Y HA -0.095 4.455 4.550 0.000 0.000 0.291 461 Y C 2.822 178.505 175.900 -0.362 0.000 1.137 461 Y CA 1.384 59.319 58.100 -0.275 0.000 1.181 461 Y CB -1.756 36.497 38.460 -0.344 0.000 0.989 461 Y HN 0.242 nan 8.280 nan 0.000 0.527 462 T N 0.074 114.628 114.554 0.001 0.000 2.759 462 T HA -0.172 4.178 4.350 0.000 0.000 0.269 462 T C 1.411 176.162 174.700 0.086 0.000 1.042 462 T CA 1.745 63.911 62.100 0.110 0.000 1.140 462 T CB -0.293 68.695 68.868 0.199 0.000 0.864 462 T HN 0.266 nan 8.240 nan 0.000 0.455 463 D N 0.462 120.879 120.400 0.028 0.000 2.117 463 D HA -0.028 4.612 4.640 0.000 0.000 0.198 463 D C 2.244 178.589 176.300 0.074 0.000 0.982 463 D CA 0.545 54.559 54.000 0.023 0.000 0.828 463 D CB -0.406 40.376 40.800 -0.030 0.000 0.967 463 D HN 0.189 nan 8.370 nan 0.000 0.464 464 V N 0.519 120.454 119.914 0.037 0.000 2.295 464 V HA -0.216 3.904 4.120 0.000 0.000 0.246 464 V C 2.574 178.692 176.094 0.040 0.000 1.049 464 V CA 1.886 64.202 62.300 0.027 0.000 1.024 464 V CB -0.543 31.272 31.823 -0.014 0.000 0.648 464 V HN 0.201 nan 8.190 nan 0.000 0.447 465 S N -1.244 114.465 115.700 0.015 0.000 2.368 465 S HA -0.275 4.195 4.470 0.000 0.000 0.225 465 S C 2.003 176.693 174.600 0.151 0.000 1.030 465 S CA 1.924 60.171 58.200 0.079 0.000 0.999 465 S CB -0.516 62.765 63.200 0.135 0.000 0.844 465 S HN 0.648 nan 8.310 nan 0.000 0.459 466 Y N 1.662 121.997 120.300 0.059 0.000 2.114 466 Y HA -0.134 4.416 4.550 0.000 0.000 0.282 466 Y C 2.020 177.945 175.900 0.041 0.000 1.165 466 Y CA 2.063 60.201 58.100 0.063 0.000 1.148 466 Y CB -0.248 38.239 38.460 0.045 0.000 0.972 466 Y HN 0.265 nan 8.280 nan 0.000 0.504 467 L N -0.853 120.521 121.223 0.251 0.000 2.056 467 L HA -0.194 4.146 4.340 0.000 0.000 0.207 467 L C 2.800 179.695 176.870 0.042 0.000 1.078 467 L CA 0.976 55.894 54.840 0.130 0.000 0.749 467 L CB -1.005 41.123 42.059 0.116 0.000 0.901 467 L HN 0.300 nan 8.230 nan 0.000 0.433 468 A N -0.580 122.268 122.820 0.048 0.000 1.883 468 A HA -0.250 4.070 4.320 0.000 0.000 0.217 468 A C 2.404 180.000 177.584 0.019 0.000 1.186 468 A CA 2.039 54.094 52.037 0.030 0.000 0.624 468 A CB -1.233 17.790 19.000 0.038 0.000 0.822 468 A HN 0.541 nan 8.150 nan 0.000 0.444 469 C N -1.124 118.183 119.300 0.013 0.000 2.425 469 C HA 0.096 4.557 4.460 0.000 0.000 0.277 469 C C 3.314 178.295 174.990 -0.015 0.000 1.280 469 C CA 0.606 59.620 59.018 -0.007 0.000 1.744 469 C CB -1.386 26.337 27.740 -0.029 0.000 1.989 469 C HN 0.705 nan 8.230 nan 0.000 0.491 470 A N 0.766 123.559 122.820 -0.045 0.000 1.883 470 A HA -0.214 4.106 4.320 0.000 0.000 0.217 470 A C 2.183 179.778 177.584 0.018 0.000 1.186 470 A CA 1.683 53.736 52.037 0.027 0.000 0.624 470 A CB -0.501 18.364 19.000 -0.225 0.000 0.822 470 A HN 0.671 nan 8.150 nan 0.000 0.444 471 K N -0.212 120.172 120.400 -0.027 0.000 2.044 471 K HA -0.199 4.121 4.320 0.000 0.000 0.210 471 K C 2.137 178.740 176.600 0.006 0.000 1.049 471 K CA 1.860 58.136 56.287 -0.018 0.000 0.927 471 K CB -0.234 32.258 32.500 -0.013 0.000 0.713 471 K HN 0.455 nan 8.250 nan 0.000 0.443 472 K N 0.828 121.236 120.400 0.013 0.000 2.032 472 K HA -0.115 4.205 4.320 0.000 0.000 0.209 472 K C 2.208 178.817 176.600 0.017 0.000 1.048 472 K CA 1.238 57.534 56.287 0.016 0.000 0.927 472 K CB -0.180 32.332 32.500 0.019 0.000 0.712 472 K HN 0.086 nan 8.250 nan 0.000 0.441 473 L N 0.792 122.030 121.223 0.025 0.000 2.046 473 L HA -0.197 4.143 4.340 0.000 0.000 0.208 473 L C 2.321 179.205 176.870 0.024 0.000 1.077 473 L CA 1.104 55.950 54.840 0.010 0.000 0.747 473 L CB -0.398 41.650 42.059 -0.017 0.000 0.896 473 L HN 0.201 nan 8.230 nan 0.000 0.432 474 L N -0.440 120.818 121.223 0.058 0.000 2.275 474 L HA -0.120 4.220 4.340 0.000 0.000 0.215 474 L C 2.616 179.502 176.870 0.027 0.000 1.119 474 L CA 0.677 55.542 54.840 0.043 0.000 0.790 474 L CB -0.495 41.570 42.059 0.010 0.000 0.919 474 L HN 0.223 nan 8.230 nan 0.000 0.443 475 A N -0.275 122.557 122.820 0.019 0.000 2.167 475 A HA 0.030 4.350 4.320 0.000 0.000 0.214 475 A C 1.194 178.790 177.584 0.020 0.000 1.151 475 A CA 1.000 53.047 52.037 0.017 0.000 0.735 475 A CB -0.258 18.749 19.000 0.011 0.000 0.802 475 A HN 0.256 nan 8.150 nan 0.000 0.467 476 V N -3.845 116.081 119.914 0.020 0.000 2.454 476 V HA 0.319 4.439 4.120 0.000 0.000 0.255 476 V C -2.022 174.089 176.094 0.029 0.000 1.009 476 V CA -1.124 61.186 62.300 0.017 0.000 1.149 476 V CB 0.734 32.559 31.823 0.003 0.000 1.418 476 V HN 0.141 nan 8.190 nan 0.000 0.567 477 P HA -0.127 nan 4.420 nan 0.000 0.220 477 P C 1.414 178.760 177.300 0.075 0.000 1.148 477 P CA 1.538 64.690 63.100 0.086 0.000 0.803 477 P CB 0.094 31.878 31.700 0.139 0.000 0.782 478 N N 0.613 119.338 118.700 0.042 0.000 2.289 478 N HA -0.124 4.616 4.740 0.000 0.000 0.184 478 N C 1.571 177.087 175.510 0.011 0.000 1.016 478 N CA 1.161 54.222 53.050 0.020 0.000 0.872 478 N CB -1.122 37.366 38.487 0.002 0.000 0.973 478 N HN 0.282 nan 8.380 nan 0.000 0.433 479 L N -0.835 120.394 121.223 0.008 0.000 2.575 479 L HA 0.441 4.781 4.340 0.000 0.000 0.228 479 L C 0.416 177.281 176.870 -0.009 0.000 1.075 479 L CA 0.151 54.983 54.840 -0.014 0.000 0.867 479 L CB 0.452 42.494 42.059 -0.028 0.000 1.097 479 L HN -0.029 nan 8.230 nan 0.000 0.485 480 I N -1.270 119.312 120.570 0.020 0.000 2.644 480 I HA 0.181 4.351 4.170 0.000 0.000 0.291 480 I C -1.549 174.625 176.117 0.095 0.000 1.180 480 I CA -0.722 60.594 61.300 0.026 0.000 1.040 480 I CB 2.887 40.875 38.000 -0.019 0.000 1.255 480 I HN -0.182 nan 8.210 nan 0.000 0.422 481 Y N 8.878 129.161 120.300 -0.029 0.000 2.518 481 Y HA 0.475 5.026 4.550 0.000 0.000 0.344 481 Y C -2.485 173.352 175.900 -0.106 0.000 0.982 481 Y CA -2.937 55.155 58.100 -0.013 0.000 1.234 481 Y CB 0.846 39.362 38.460 0.094 0.000 1.114 481 Y HN 0.234 nan 8.280 nan 0.000 0.515 482 P HA 0.198 nan 4.420 nan 0.000 0.280 482 P C -1.504 175.200 177.300 -0.994 0.000 1.244 482 P CA -0.196 62.433 63.100 -0.784 0.000 0.784 482 P CB 0.877 32.009 31.700 -0.946 0.000 0.913 483 Q N 2.301 121.607 119.800 -0.823 0.000 2.401 483 Q HA 0.391 4.731 4.340 0.000 0.000 0.260 483 Q C -1.053 174.714 176.000 -0.388 0.000 1.034 483 Q CA -0.222 55.275 55.803 -0.510 0.000 0.737 483 Q CB 0.856 29.433 28.738 -0.269 0.000 1.227 483 Q HN 0.417 nan 8.270 nan 0.000 0.488 484 F N 1.725 121.664 119.950 -0.019 0.000 2.377 484 F HA 0.397 4.924 4.527 0.000 0.000 0.360 484 F C 0.639 176.596 175.800 0.263 0.000 1.147 484 F CA -0.795 57.284 58.000 0.131 0.000 1.170 484 F CB 0.821 39.901 39.000 0.134 0.000 1.339 484 F HN 0.488 nan 8.300 nan 0.000 0.552 485 A N 3.307 126.324 122.820 0.330 0.000 2.347 485 A HA 0.586 4.906 4.320 0.000 0.000 0.287 485 A C 0.201 177.847 177.584 0.103 0.000 1.199 485 A CA 0.037 52.173 52.037 0.165 0.000 0.851 485 A CB 0.469 19.497 19.000 0.047 0.000 1.118 485 A HN 0.624 nan 8.150 nan 0.000 0.525 486 T N 1.248 115.797 114.554 -0.009 0.000 2.893 486 T HA 0.429 4.780 4.350 0.000 0.000 0.337 486 T C -0.393 174.188 174.700 -0.199 0.000 1.587 486 T CA -0.485 61.485 62.100 -0.216 0.000 1.066 486 T CB 0.629 69.375 68.868 -0.203 0.000 1.414 486 T HN 0.710 nan 8.240 nan 0.000 0.488 487 H N 1.319 120.358 119.070 -0.053 0.000 2.784 487 H HA 0.378 4.934 4.556 0.000 0.000 0.273 487 H C 0.478 175.566 175.328 -0.401 0.000 1.112 487 H CA -0.580 55.415 56.048 -0.089 0.000 1.162 487 H CB 0.487 30.261 29.762 0.020 0.000 1.586 487 H HN 0.257 nan 8.280 nan 0.000 0.548 488 N N 1.401 119.798 118.700 -0.506 0.000 2.419 488 N HA 0.131 4.871 4.740 0.000 0.000 0.264 488 N C 0.938 175.871 175.510 -0.961 0.000 1.031 488 N CA 0.107 52.517 53.050 -1.066 0.000 0.951 488 N CB 1.424 39.553 38.487 -0.596 0.000 1.101 488 N HN 0.290 nan 8.380 nan 0.000 0.488 489 A N 3.992 126.014 122.820 -1.330 0.000 1.933 489 A HA -0.193 4.127 4.320 0.000 0.000 0.218 489 A C 1.994 179.349 177.584 -0.381 0.000 1.175 489 A CA 1.209 52.870 52.037 -0.626 0.000 0.628 489 A CB -0.873 17.940 19.000 -0.310 0.000 0.814 489 A HN 0.917 nan 8.150 nan 0.000 0.444 490 H N 0.070 118.936 119.070 -0.340 0.000 2.321 490 H HA -0.105 4.452 4.556 0.000 0.000 0.300 490 H C 1.991 177.201 175.328 -0.197 0.000 1.087 490 H CA 2.088 58.024 56.048 -0.186 0.000 1.319 490 H CB -0.282 29.425 29.762 -0.093 0.000 1.379 490 H HN 0.418 nan 8.280 nan 0.000 0.501 491 T N 2.143 116.562 114.554 -0.226 0.000 2.684 491 T HA -0.161 4.189 4.350 0.000 0.000 0.267 491 T C 2.299 176.868 174.700 -0.217 0.000 1.036 491 T CA 1.310 63.271 62.100 -0.231 0.000 1.148 491 T CB -0.539 68.121 68.868 -0.348 0.000 0.863 491 T HN 0.287 nan 8.240 nan 0.000 0.436 492 L N 0.607 121.665 121.223 -0.275 0.000 2.017 492 L HA -0.106 4.234 4.340 0.000 0.000 0.208 492 L C 2.770 179.545 176.870 -0.159 0.000 1.073 492 L CA 1.643 56.331 54.840 -0.252 0.000 0.745 492 L CB -0.594 41.124 42.059 -0.567 0.000 0.894 492 L HN 0.295 nan 8.230 nan 0.000 0.432 493 A N -0.220 122.442 122.820 -0.262 0.000 1.902 493 A HA -0.189 4.131 4.320 0.000 0.000 0.217 493 A C 2.423 179.933 177.584 -0.123 0.000 1.181 493 A CA 1.738 53.660 52.037 -0.191 0.000 0.623 493 A CB -0.928 17.926 19.000 -0.244 0.000 0.818 493 A HN 0.606 nan 8.150 nan 0.000 0.443 494 A N -0.390 122.258 122.820 -0.286 0.000 1.902 494 A HA -0.051 4.269 4.320 0.000 0.000 0.217 494 A C 1.977 179.476 177.584 -0.142 0.000 1.181 494 A CA 1.740 53.637 52.037 -0.232 0.000 0.623 494 A CB -0.533 18.282 19.000 -0.308 0.000 0.818 494 A HN 0.391 nan 8.150 nan 0.000 0.443 495 I N -1.735 118.741 120.570 -0.157 0.000 2.179 495 I HA -0.200 3.971 4.170 0.000 0.000 0.242 495 I C 2.281 178.267 176.117 -0.219 0.000 1.088 495 I CA 1.218 62.317 61.300 -0.334 0.000 1.357 495 I CB -0.952 36.749 38.000 -0.499 0.000 1.051 495 I HN 0.539 nan 8.210 nan 0.000 0.409 496 Y N 1.295 121.573 120.300 -0.037 0.000 2.151 496 Y HA -0.331 4.219 4.550 0.000 0.000 0.284 496 Y C 2.500 178.399 175.900 -0.001 0.000 1.166 496 Y CA 1.887 60.036 58.100 0.081 0.000 1.163 496 Y CB -0.089 38.462 38.460 0.152 0.000 0.974 496 Y HN 0.227 nan 8.280 nan 0.000 0.511 497 Q N -0.097 119.759 119.800 0.094 0.000 2.096 497 Q HA -0.069 4.271 4.340 0.000 0.000 0.197 497 Q C 2.450 178.408 176.000 -0.071 0.000 0.964 497 Q CA 1.325 57.135 55.803 0.011 0.000 0.838 497 Q CB -0.421 28.354 28.738 0.062 0.000 0.906 497 Q HN 0.548 nan 8.270 nan 0.000 0.444 498 L N 0.547 121.707 121.223 -0.105 0.000 2.201 498 L HA -0.087 4.253 4.340 0.000 0.000 0.212 498 L C 2.177 178.963 176.870 -0.141 0.000 1.105 498 L CA 0.773 55.540 54.840 -0.121 0.000 0.775 498 L CB -0.461 41.506 42.059 -0.154 0.000 0.913 498 L HN 0.089 nan 8.230 nan 0.000 0.440 499 A N -0.095 122.604 122.820 -0.202 0.000 2.209 499 A HA 0.280 4.600 4.320 0.000 0.000 0.212 499 A C 1.384 178.937 177.584 -0.052 0.000 1.158 499 A CA 0.832 52.774 52.037 -0.158 0.000 0.742 499 A CB -0.697 18.172 19.000 -0.218 0.000 0.790 499 A HN 0.489 nan 8.150 nan 0.000 0.472 500 G N -1.163 107.595 108.800 -0.070 0.000 2.741 500 G HA2 -0.187 3.773 3.960 0.000 0.000 0.222 500 G HA3 -0.187 3.773 3.960 0.000 0.000 0.222 500 G C -0.437 174.442 174.900 -0.036 0.000 1.364 500 G CA -0.140 44.938 45.100 -0.037 0.000 0.866 500 G HN 0.693 nan 8.290 nan 0.000 0.555 501 Q N 0.176 119.972 119.800 -0.007 0.000 2.382 501 Q HA 0.537 4.877 4.340 0.000 0.000 0.229 501 Q C 0.708 176.738 176.000 0.050 0.000 1.006 501 Q CA 0.250 56.059 55.803 0.009 0.000 0.916 501 Q CB 0.365 29.113 28.738 0.016 0.000 1.235 501 Q HN 0.846 nan 8.270 nan 0.000 0.512 502 N N -0.551 118.192 118.700 0.071 0.000 2.806 502 N HA -0.234 4.507 4.740 0.000 0.000 0.248 502 N C -1.383 174.220 175.510 0.155 0.000 1.081 502 N CA -0.050 53.063 53.050 0.104 0.000 0.680 502 N CB -1.551 36.985 38.487 0.081 0.000 0.941 502 N HN 0.516 nan 8.380 nan 0.000 0.554 503 Y N 2.166 122.479 120.300 0.021 0.000 2.805 503 Y HA 0.138 4.689 4.550 0.000 0.000 0.337 503 Y C 0.221 176.155 175.900 0.057 0.000 1.252 503 Y CA 0.277 58.355 58.100 -0.036 0.000 1.515 503 Y CB 0.287 38.692 38.460 -0.091 0.000 1.305 503 Y HN 0.228 nan 8.280 nan 0.000 0.600 504 Y N 4.643 124.332 120.300 -1.018 0.000 2.492 504 Y HA 0.488 5.039 4.550 0.000 0.000 0.346 504 Y C -2.483 172.713 175.900 -1.173 0.000 0.997 504 Y CA -3.181 54.444 58.100 -0.791 0.000 1.025 504 Y CB 1.233 39.457 38.460 -0.393 0.000 1.263 504 Y HN 0.326 nan 8.280 nan 0.000 0.454 505 P HA -0.162 nan 4.420 nan 0.000 0.216 505 P C 1.433 178.552 177.300 -0.301 0.000 1.154 505 P CA 2.842 65.763 63.100 -0.299 0.000 0.865 505 P CB 0.046 31.700 31.700 -0.077 0.000 0.789 506 G N -0.922 107.678 108.800 -0.334 0.000 3.026 506 G HA2 -0.152 3.808 3.960 0.000 0.000 0.208 506 G HA3 -0.152 3.808 3.960 0.000 0.000 0.208 506 G C 1.406 176.195 174.900 -0.186 0.000 1.169 506 G CA -0.090 44.757 45.100 -0.422 0.000 0.788 506 G HN 0.300 nan 8.290 nan 0.000 0.533 507 Q N -0.377 119.022 119.800 -0.668 0.000 2.016 507 Q HA 0.043 4.383 4.340 0.000 0.000 0.200 507 Q C 0.458 176.445 176.000 -0.022 0.000 0.978 507 Q CA 0.950 56.351 55.803 -0.670 0.000 0.833 507 Q CB 0.005 27.995 28.738 -1.247 0.000 0.895 507 Q HN 0.618 nan 8.270 nan 0.000 0.427 508 Y N -2.017 118.213 120.300 -0.116 0.000 2.713 508 Y HA 0.437 4.987 4.550 0.000 0.000 0.335 508 Y C -1.783 173.981 175.900 -0.226 0.000 1.222 508 Y CA -1.286 56.591 58.100 -0.372 0.000 1.061 508 Y CB 0.668 38.996 38.460 -0.219 0.000 1.314 508 Y HN 0.109 nan 8.280 nan 0.000 0.453 509 E N 1.251 121.238 120.200 -0.354 0.000 2.392 509 E HA 0.570 4.920 4.350 0.000 0.000 0.269 509 E C -1.860 174.685 176.600 -0.092 0.000 0.924 509 E CA -0.961 55.319 56.400 -0.200 0.000 0.784 509 E CB 2.629 32.325 29.700 -0.007 0.000 1.292 509 E HN 0.511 nan 8.360 nan 0.000 0.447 510 F N 0.428 120.472 119.950 0.158 0.000 2.370 510 F HA 0.338 4.866 4.527 0.000 0.000 0.319 510 F C 0.740 176.508 175.800 -0.054 0.000 1.129 510 F CA -0.282 57.806 58.000 0.145 0.000 1.109 510 F CB 1.437 40.549 39.000 0.186 0.000 1.262 510 F HN 0.290 nan 8.300 nan 0.000 0.534 511 Q N 0.998 120.886 119.800 0.145 0.000 2.421 511 Q HA 0.622 4.963 4.340 0.000 0.000 0.280 511 Q C -1.460 174.510 176.000 -0.051 0.000 1.085 511 Q CA -0.990 54.811 55.803 -0.005 0.000 0.807 511 Q CB 2.826 31.591 28.738 0.045 0.000 1.405 511 Q HN 0.869 nan 8.270 nan 0.000 0.419 512 C N -0.843 118.450 119.300 -0.012 0.000 3.241 512 C HA 0.722 5.182 4.460 0.000 0.000 0.312 512 C C -1.010 174.164 174.990 0.307 0.000 1.350 512 C CA -0.997 58.145 59.018 0.205 0.000 1.415 512 C CB 0.356 28.254 27.740 0.264 0.000 1.770 512 C HN 0.864 nan 8.230 nan 0.000 0.466 513 L N 2.038 123.583 121.223 0.537 0.000 2.312 513 L HA 0.353 4.693 4.340 0.000 0.000 0.281 513 L C 0.551 177.618 176.870 0.329 0.000 1.070 513 L CA -0.204 54.885 54.840 0.414 0.000 0.805 513 L CB 0.522 42.810 42.059 0.381 0.000 1.174 513 L HN 0.889 nan 8.230 nan 0.000 0.434 514 H N 2.287 121.519 119.070 0.270 0.000 3.094 514 H HA 0.137 4.693 4.556 0.000 0.000 0.320 514 H C 1.075 176.548 175.328 0.240 0.000 1.000 514 H CA 1.091 57.263 56.048 0.206 0.000 1.413 514 H CB 0.545 30.436 29.762 0.216 0.000 1.405 514 H HN 0.762 nan 8.280 nan 0.000 0.586 515 G N 3.602 112.092 108.800 -0.517 0.000 2.159 515 G HA2 -0.289 3.671 3.960 0.000 0.000 0.256 515 G HA3 -0.289 3.671 3.960 0.000 0.000 0.256 515 G C 0.733 175.552 174.900 -0.135 0.000 0.977 515 G CA 0.649 45.498 45.100 -0.419 0.000 0.652 515 G HN 0.619 nan 8.290 nan 0.000 0.531 516 M N -1.440 118.099 119.600 -0.102 0.000 2.363 516 M HA 0.266 4.746 4.480 0.000 0.000 0.243 516 M C 2.223 178.348 176.300 -0.291 0.000 1.364 516 M CA 1.215 56.382 55.300 -0.223 0.000 1.104 516 M CB 0.778 33.134 32.600 -0.406 0.000 1.570 516 M HN 0.235 nan 8.290 nan 0.000 0.564 517 G N -0.169 108.551 108.800 -0.134 0.000 2.939 517 G HA2 0.042 4.002 3.960 0.000 0.000 0.216 517 G HA3 0.042 4.002 3.960 0.000 0.000 0.216 517 G C 0.942 175.992 174.900 0.250 0.000 1.125 517 G CA 0.034 45.226 45.100 0.154 0.000 0.766 517 G HN 0.288 nan 8.290 nan 0.000 0.541 518 E N 1.226 121.481 120.200 0.092 0.000 2.118 518 E HA -0.083 4.268 4.350 0.000 0.000 0.195 518 E C -0.257 176.399 176.600 0.094 0.000 0.992 518 E CA 1.487 57.928 56.400 0.068 0.000 0.804 518 E CB -0.543 29.114 29.700 -0.072 0.000 0.741 518 E HN 0.351 nan 8.360 nan 0.000 0.458 519 P HA -0.150 nan 4.420 nan 0.000 0.216 519 P C 1.390 178.686 177.300 -0.006 0.000 1.153 519 P CA 0.724 63.832 63.100 0.013 0.000 0.848 519 P CB 0.077 31.768 31.700 -0.016 0.000 0.787 520 L N -1.474 119.722 121.223 -0.045 0.000 2.017 520 L HA -0.134 4.206 4.340 0.000 0.000 0.208 520 L C 1.964 178.676 176.870 -0.265 0.000 1.073 520 L CA 1.926 56.636 54.840 -0.216 0.000 0.745 520 L CB -1.493 40.341 42.059 -0.374 0.000 0.894 520 L HN -0.037 nan 8.230 nan 0.000 0.432 521 Y N -1.001 119.336 120.300 0.061 0.000 2.511 521 Y HA 0.048 4.598 4.550 0.000 0.000 0.279 521 Y C 2.319 178.348 175.900 0.214 0.000 1.157 521 Y CA 0.138 58.308 58.100 0.117 0.000 1.300 521 Y CB 0.053 38.675 38.460 0.271 0.000 1.052 521 Y HN 0.196 nan 8.280 nan 0.000 0.529 522 E N 0.524 120.901 120.200 0.295 0.000 2.204 522 E HA -0.196 4.154 4.350 0.000 0.000 0.195 522 E C 1.306 177.969 176.600 0.106 0.000 0.990 522 E CA 1.093 57.633 56.400 0.235 0.000 0.821 522 E CB 0.019 29.802 29.700 0.138 0.000 0.750 522 E HN 0.650 nan 8.360 nan 0.000 0.477 523 Q N -0.553 119.259 119.800 0.021 0.000 2.425 523 Q HA 0.028 4.369 4.340 0.000 0.000 0.204 523 Q C 1.729 177.687 176.000 -0.070 0.000 0.933 523 Q CA 0.251 56.028 55.803 -0.044 0.000 0.939 523 Q CB 0.764 29.441 28.738 -0.102 0.000 1.044 523 Q HN 0.071 nan 8.270 nan 0.000 0.513 524 V N -0.872 119.018 119.914 -0.040 0.000 2.911 524 V HA 0.038 4.159 4.120 0.000 0.000 0.237 524 V C 0.811 176.888 176.094 -0.028 0.000 1.156 524 V CA 0.704 62.974 62.300 -0.049 0.000 1.180 524 V CB 1.116 32.911 31.823 -0.047 0.000 0.932 524 V HN 0.072 nan 8.190 nan 0.000 0.483 525 T N 1.302 115.807 114.554 -0.081 0.000 2.806 525 T HA 0.631 4.981 4.350 0.000 0.000 0.290 525 T C 0.161 174.769 174.700 -0.154 0.000 0.966 525 T CA 0.649 62.593 62.100 -0.260 0.000 1.060 525 T CB 0.923 69.283 68.868 -0.847 0.000 0.927 525 T HN 0.845 nan 8.240 nan 0.000 0.485 526 G N 2.340 111.079 108.800 -0.101 0.000 2.355 526 G HA2 0.032 3.992 3.960 0.000 0.000 0.619 526 G HA3 0.032 3.992 3.960 0.000 0.000 0.619 526 G C -1.309 173.586 174.900 -0.009 0.000 1.337 526 G CA -1.226 43.857 45.100 -0.028 0.000 0.993 526 G HN 0.671 nan 8.290 nan 0.000 0.599 527 K N -0.156 120.250 120.400 0.011 0.000 2.382 527 K HA 0.337 4.657 4.320 0.000 0.000 0.275 527 K C 1.598 178.207 176.600 0.015 0.000 1.009 527 K CA -0.084 56.213 56.287 0.017 0.000 0.970 527 K CB 1.526 34.041 32.500 0.024 0.000 0.934 527 K HN 0.328 nan 8.250 nan 0.000 0.479 528 V N 2.375 122.301 119.914 0.020 0.000 2.490 528 V HA -0.261 3.859 4.120 0.000 0.000 0.250 528 V C 1.984 178.089 176.094 0.018 0.000 1.061 528 V CA 2.302 64.614 62.300 0.021 0.000 1.064 528 V CB -0.651 31.192 31.823 0.032 0.000 0.670 528 V HN 0.944 nan 8.190 nan 0.000 0.461 529 A N -0.609 122.223 122.820 0.020 0.000 2.066 529 A HA -0.137 4.183 4.320 0.000 0.000 0.218 529 A C 1.629 179.223 177.584 0.017 0.000 1.157 529 A CA 1.293 53.341 52.037 0.019 0.000 0.670 529 A CB -0.313 18.699 19.000 0.020 0.000 0.804 529 A HN 0.521 nan 8.150 nan 0.000 0.453 530 D N -0.501 119.909 120.400 0.017 0.000 2.352 530 D HA 0.272 4.912 4.640 0.000 0.000 0.236 530 D C 1.276 177.582 176.300 0.010 0.000 1.148 530 D CA 0.888 54.898 54.000 0.017 0.000 0.844 530 D CB -0.155 40.659 40.800 0.024 0.000 0.933 530 D HN 0.525 nan 8.370 nan 0.000 0.507 531 G N 1.164 109.968 108.800 0.006 0.000 2.155 531 G HA2 -0.287 3.673 3.960 0.000 0.000 0.257 531 G HA3 -0.287 3.673 3.960 0.000 0.000 0.257 531 G C 0.466 175.356 174.900 -0.016 0.000 0.983 531 G CA 0.194 45.292 45.100 -0.004 0.000 0.676 531 G HN 0.192 nan 8.290 nan 0.000 0.528 532 K N -0.310 120.084 120.400 -0.011 0.000 2.090 532 K HA 0.592 4.913 4.320 0.000 0.000 0.249 532 K C 1.565 178.147 176.600 -0.029 0.000 0.995 532 K CA -0.878 55.394 56.287 -0.025 0.000 0.914 532 K CB 0.859 33.350 32.500 -0.014 0.000 1.057 532 K HN 0.083 nan 8.250 nan 0.000 0.462 533 L N 0.424 121.616 121.223 -0.051 0.000 2.395 533 L HA -0.018 4.322 4.340 0.000 0.000 0.218 533 L C 0.719 177.603 176.870 0.024 0.000 1.130 533 L CA 0.353 55.178 54.840 -0.025 0.000 0.826 533 L CB -0.487 41.510 42.059 -0.103 0.000 0.941 533 L HN 0.840 nan 8.230 nan 0.000 0.451 534 N N 1.350 120.041 118.700 -0.016 0.000 2.727 534 N HA -0.167 4.574 4.740 0.000 0.000 0.251 534 N C -0.706 174.725 175.510 -0.132 0.000 1.040 534 N CA -0.052 52.974 53.050 -0.040 0.000 0.712 534 N CB -0.086 38.399 38.487 -0.003 0.000 0.912 534 N HN 0.196 nan 8.380 nan 0.000 0.545 535 R N 0.879 121.314 120.500 -0.107 0.000 2.534 535 R HA 0.504 4.844 4.340 0.000 0.000 0.301 535 R C -2.407 173.860 176.300 -0.056 0.000 0.961 535 R CA -1.601 54.389 56.100 -0.184 0.000 0.871 535 R CB 1.528 31.867 30.300 0.064 0.000 1.170 535 R HN 0.177 nan 8.270 nan 0.000 0.446 536 P HA 0.151 nan 4.420 nan 0.000 0.275 536 P C -0.407 176.879 177.300 -0.024 0.000 1.228 536 P CA -0.364 62.690 63.100 -0.076 0.000 0.786 536 P CB 1.050 32.744 31.700 -0.011 0.000 0.927 537 C N 3.983 123.203 119.300 -0.134 0.000 2.482 537 C HA 0.535 4.995 4.460 0.000 0.000 0.317 537 C C -0.170 174.800 174.990 -0.032 0.000 1.197 537 C CA -0.643 58.310 59.018 -0.108 0.000 1.432 537 C CB 0.776 28.347 27.740 -0.281 0.000 2.062 537 C HN 0.690 nan 8.230 nan 0.000 0.471 538 R N 5.443 125.925 120.500 -0.030 0.000 2.295 538 R HA 0.640 4.980 4.340 0.000 0.000 0.324 538 R C -0.885 175.367 176.300 -0.080 0.000 0.968 538 R CA -0.467 55.606 56.100 -0.044 0.000 0.837 538 R CB 0.637 30.939 30.300 0.003 0.000 1.133 538 R HN 0.815 nan 8.270 nan 0.000 0.450 539 I N 4.819 125.251 120.570 -0.231 0.000 2.371 539 I HA 0.088 4.259 4.170 0.000 0.000 0.290 539 I C -0.371 175.690 176.117 -0.094 0.000 1.028 539 I CA -0.600 60.575 61.300 -0.208 0.000 1.345 539 I CB 0.755 38.449 38.000 -0.511 0.000 1.407 539 I HN 0.577 nan 8.210 nan 0.000 0.501 540 Y N 6.667 126.953 120.300 -0.023 0.000 2.404 540 Y HA 0.509 5.059 4.550 0.000 0.000 0.344 540 Y C 0.052 176.007 175.900 0.091 0.000 0.995 540 Y CA -0.613 57.505 58.100 0.030 0.000 1.201 540 Y CB 0.827 39.345 38.460 0.097 0.000 1.151 540 Y HN 0.609 nan 8.280 nan 0.000 0.517 541 A N 9.180 131.914 122.820 -0.144 0.000 2.328 541 A HA 0.536 4.857 4.320 0.000 0.000 0.318 541 A C -2.933 174.598 177.584 -0.088 0.000 1.347 541 A CA -1.946 50.084 52.037 -0.013 0.000 0.842 541 A CB 0.173 19.203 19.000 0.048 0.000 1.148 541 A HN 0.587 nan 8.150 nan 0.000 0.499 542 P HA 0.313 nan 4.420 nan 0.000 0.271 542 P C -0.630 176.625 177.300 -0.075 0.000 1.216 542 P CA -0.021 62.978 63.100 -0.169 0.000 0.771 542 P CB 1.298 32.778 31.700 -0.366 0.000 0.864 543 V N 3.583 123.457 119.914 -0.067 0.000 2.447 543 V HA 0.851 4.971 4.120 0.000 0.000 0.292 543 V C 0.404 176.471 176.094 -0.046 0.000 1.021 543 V CA -0.060 62.215 62.300 -0.041 0.000 0.850 543 V CB 1.223 33.029 31.823 -0.028 0.000 1.005 543 V HN 0.889 nan 8.190 nan 0.000 0.426 544 G N 2.718 111.494 108.800 -0.040 0.000 2.338 544 G HA2 0.523 4.483 3.960 0.000 0.000 0.295 544 G HA3 0.523 4.483 3.960 0.000 0.000 0.295 544 G C -0.565 174.312 174.900 -0.038 0.000 1.461 544 G CA 0.045 45.122 45.100 -0.038 0.000 0.817 544 G HN 0.772 nan 8.290 nan 0.000 0.556 545 T N -2.564 111.945 114.554 -0.076 0.000 2.824 545 T HA 0.409 4.759 4.350 0.000 0.000 0.277 545 T C 1.732 176.363 174.700 -0.116 0.000 0.975 545 T CA 0.847 62.865 62.100 -0.137 0.000 0.966 545 T CB 0.869 69.571 68.868 -0.277 0.000 1.054 545 T HN 1.291 nan 8.240 nan 0.000 0.533 546 H N 0.132 119.227 119.070 0.042 0.000 2.431 546 H HA -0.133 4.424 4.556 0.000 0.000 0.297 546 H C 1.707 177.070 175.328 0.059 0.000 1.115 546 H CA 1.982 58.062 56.048 0.054 0.000 1.277 546 H CB -0.650 29.139 29.762 0.046 0.000 1.372 546 H HN 0.837 nan 8.280 nan 0.000 0.516 547 E N 0.863 121.036 120.200 -0.044 0.000 2.418 547 E HA -0.095 4.255 4.350 0.000 0.000 0.197 547 E C 0.864 177.514 176.600 0.085 0.000 1.026 547 E CA 1.359 57.816 56.400 0.095 0.000 0.862 547 E CB -0.231 29.474 29.700 0.009 0.000 0.799 547 E HN 0.744 nan 8.360 nan 0.000 0.518 548 T N -1.843 112.750 114.554 0.064 0.000 3.085 548 T HA 0.175 4.526 4.350 0.000 0.000 0.264 548 T C 1.331 176.095 174.700 0.108 0.000 1.019 548 T CA -0.393 61.762 62.100 0.092 0.000 0.910 548 T CB 0.245 69.152 68.868 0.065 0.000 1.059 548 T HN 0.041 nan 8.240 nan 0.000 0.542 549 L N 0.550 121.851 121.223 0.130 0.000 2.416 549 L HA 0.488 4.828 4.340 0.000 0.000 0.216 549 L C 1.786 178.773 176.870 0.196 0.000 1.098 549 L CA 0.600 55.540 54.840 0.166 0.000 0.840 549 L CB -0.618 41.547 42.059 0.176 0.000 0.981 549 L HN 0.293 nan 8.230 nan 0.000 0.462 550 L N 0.467 121.787 121.223 0.161 0.000 1.970 550 L HA -0.100 4.241 4.340 0.000 0.000 0.212 550 L C 2.498 179.445 176.870 0.128 0.000 1.071 550 L CA 2.389 57.312 54.840 0.138 0.000 0.751 550 L CB -1.213 40.916 42.059 0.116 0.000 0.889 550 L HN 0.219 nan 8.230 nan 0.000 0.432 551 A N -1.561 121.341 122.820 0.135 0.000 1.902 551 A HA -0.292 4.028 4.320 0.000 0.000 0.217 551 A C 2.340 179.978 177.584 0.090 0.000 1.181 551 A CA 1.889 53.994 52.037 0.113 0.000 0.623 551 A CB -1.343 17.740 19.000 0.138 0.000 0.818 551 A HN 0.673 nan 8.150 nan 0.000 0.443 552 Y N 0.120 120.435 120.300 0.026 0.000 2.128 552 Y HA -0.214 4.336 4.550 0.000 0.000 0.284 552 Y C 2.176 178.036 175.900 -0.067 0.000 1.154 552 Y CA 1.918 60.013 58.100 -0.009 0.000 1.149 552 Y CB -0.144 38.348 38.460 0.052 0.000 0.976 552 Y HN 0.260 nan 8.280 nan 0.000 0.505 553 L N -0.445 120.846 121.223 0.114 0.000 2.012 553 L HA -0.184 4.156 4.340 0.000 0.000 0.210 553 L C 2.234 179.051 176.870 -0.089 0.000 1.073 553 L CA 1.899 56.752 54.840 0.022 0.000 0.748 553 L CB -1.088 41.069 42.059 0.164 0.000 0.891 553 L HN 0.265 nan 8.230 nan 0.000 0.431 554 V N 0.557 120.447 119.914 -0.040 0.000 2.332 554 V HA -0.293 3.827 4.120 0.000 0.000 0.248 554 V C 2.784 178.801 176.094 -0.128 0.000 1.055 554 V CA 1.885 64.156 62.300 -0.048 0.000 1.038 554 V CB -0.686 31.134 31.823 -0.005 0.000 0.651 554 V HN 0.476 nan 8.190 nan 0.000 0.450 555 R N -0.422 119.949 120.500 -0.216 0.000 2.096 555 R HA -0.123 4.217 4.340 0.000 0.000 0.235 555 R C 2.551 178.643 176.300 -0.346 0.000 1.127 555 R CA 1.133 57.052 56.100 -0.302 0.000 0.968 555 R CB -0.328 29.707 30.300 -0.442 0.000 0.861 555 R HN 0.400 nan 8.270 nan 0.000 0.440 556 R N 0.773 120.978 120.500 -0.492 0.000 2.096 556 R HA -0.071 4.269 4.340 0.000 0.000 0.235 556 R C 2.299 178.420 176.300 -0.299 0.000 1.127 556 R CA 1.107 56.860 56.100 -0.578 0.000 0.968 556 R CB -0.672 28.911 30.300 -1.195 0.000 0.861 556 R HN 0.295 nan 8.270 nan 0.000 0.440 557 L N 0.357 121.475 121.223 -0.175 0.000 2.072 557 L HA -0.101 4.239 4.340 0.000 0.000 0.205 557 L C 2.464 179.311 176.870 -0.040 0.000 1.079 557 L CA 0.930 55.741 54.840 -0.049 0.000 0.752 557 L CB -0.515 41.541 42.059 -0.004 0.000 0.906 557 L HN 0.072 nan 8.230 nan 0.000 0.436 558 L N -0.312 120.879 121.223 -0.053 0.000 2.046 558 L HA -0.232 4.108 4.340 0.000 0.000 0.208 558 L C 2.626 179.482 176.870 -0.025 0.000 1.077 558 L CA 1.356 56.186 54.840 -0.016 0.000 0.747 558 L CB -0.489 41.573 42.059 0.004 0.000 0.896 558 L HN 0.348 nan 8.230 nan 0.000 0.432 559 E N 0.403 120.561 120.200 -0.070 0.000 2.031 559 E HA -0.218 4.132 4.350 0.000 0.000 0.193 559 E C 1.951 178.535 176.600 -0.027 0.000 0.994 559 E CA 1.213 57.577 56.400 -0.059 0.000 0.800 559 E CB 0.072 29.709 29.700 -0.105 0.000 0.752 559 E HN 0.455 nan 8.360 nan 0.000 0.447 560 N N -0.429 118.256 118.700 -0.026 0.000 2.309 560 N HA -0.092 4.648 4.740 0.000 0.000 0.182 560 N C 1.573 177.086 175.510 0.006 0.000 1.018 560 N CA 1.188 54.245 53.050 0.012 0.000 0.876 560 N CB 0.054 38.575 38.487 0.056 0.000 0.972 560 N HN 0.225 nan 8.380 nan 0.000 0.434 561 G N -0.364 108.437 108.800 0.001 0.000 3.020 561 G HA2 0.319 4.279 3.960 0.000 0.000 0.217 561 G HA3 0.319 4.279 3.960 0.000 0.000 0.217 561 G C 0.314 175.211 174.900 -0.005 0.000 1.144 561 G CA 0.004 45.105 45.100 0.002 0.000 0.760 561 G HN 0.289 nan 8.290 nan 0.000 0.548 562 A N 1.507 124.320 122.820 -0.011 0.000 2.409 562 A HA 0.328 4.648 4.320 0.000 0.000 0.262 562 A C 1.547 179.108 177.584 -0.037 0.000 1.113 562 A CA -0.072 51.952 52.037 -0.021 0.000 0.790 562 A CB 0.316 19.294 19.000 -0.036 0.000 1.046 562 A HN 0.367 nan 8.150 nan 0.000 0.496 563 N N 1.995 120.672 118.700 -0.037 0.000 2.453 563 N HA -0.169 4.572 4.740 0.000 0.000 0.183 563 N C 0.980 176.451 175.510 -0.065 0.000 1.041 563 N CA 1.839 54.861 53.050 -0.047 0.000 0.900 563 N CB -0.478 37.988 38.487 -0.035 0.000 0.961 563 N HN 0.640 nan 8.380 nan 0.000 0.443 564 T N -3.135 111.372 114.554 -0.078 0.000 3.088 564 T HA 0.120 4.470 4.350 0.000 0.000 0.259 564 T C 0.839 175.492 174.700 -0.078 0.000 1.122 564 T CA -0.251 61.790 62.100 -0.098 0.000 1.095 564 T CB -0.181 68.597 68.868 -0.151 0.000 0.930 564 T HN 0.007 nan 8.240 nan 0.000 0.508 565 S N 1.503 117.169 115.700 -0.058 0.000 2.528 565 S HA 0.377 4.848 4.470 0.000 0.000 0.277 565 S C 0.401 175.012 174.600 0.019 0.000 1.297 565 S CA -0.816 57.377 58.200 -0.012 0.000 1.052 565 S CB 0.518 63.715 63.200 -0.004 0.000 0.917 565 S HN 0.381 nan 8.310 nan 0.000 0.492 566 F N 4.396 124.304 119.950 -0.070 0.000 2.120 566 F HA -0.209 4.318 4.527 0.000 0.000 0.300 566 F C 2.105 177.873 175.800 -0.053 0.000 1.095 566 F CA 2.051 60.011 58.000 -0.065 0.000 1.249 566 F CB -0.307 38.654 39.000 -0.065 0.000 0.995 566 F HN 0.499 nan 8.300 nan 0.000 0.480 567 V N -1.311 118.705 119.914 0.169 0.000 2.626 567 V HA -0.222 3.898 4.120 0.000 0.000 0.252 567 V C 2.171 178.229 176.094 -0.061 0.000 1.067 567 V CA 2.154 64.497 62.300 0.071 0.000 1.081 567 V CB -1.095 30.791 31.823 0.105 0.000 0.686 567 V HN 0.544 nan 8.190 nan 0.000 0.468 568 N N 1.240 119.900 118.700 -0.068 0.000 2.207 568 N HA -0.088 4.652 4.740 0.000 0.000 0.182 568 N C 2.096 177.519 175.510 -0.144 0.000 1.020 568 N CA 1.514 54.513 53.050 -0.085 0.000 0.858 568 N CB -0.039 38.415 38.487 -0.056 0.000 0.991 568 N HN 0.505 nan 8.380 nan 0.000 0.427 569 R N 0.294 120.671 120.500 -0.204 0.000 2.115 569 R HA -0.001 4.339 4.340 0.000 0.000 0.230 569 R C 2.156 178.255 176.300 -0.336 0.000 1.111 569 R CA 0.607 56.556 56.100 -0.251 0.000 0.976 569 R CB -0.217 29.929 30.300 -0.255 0.000 0.870 569 R HN 0.207 nan 8.270 nan 0.000 0.445 570 I N 0.439 120.718 120.570 -0.484 0.000 2.493 570 I HA -0.171 3.999 4.170 0.000 0.000 0.254 570 I C 1.816 177.781 176.117 -0.254 0.000 1.160 570 I CA 1.173 62.193 61.300 -0.467 0.000 1.445 570 I CB 0.065 37.735 38.000 -0.550 0.000 1.086 570 I HN 0.108 nan 8.210 nan 0.000 0.433 571 A N -1.038 121.666 122.820 -0.193 0.000 2.195 571 A HA 0.019 4.340 4.320 0.000 0.000 0.210 571 A C 0.953 178.471 177.584 -0.111 0.000 1.165 571 A CA 0.158 52.118 52.037 -0.127 0.000 0.806 571 A CB -0.413 18.530 19.000 -0.095 0.000 0.847 571 A HN 0.399 nan 8.150 nan 0.000 0.482 572 D N 0.014 120.338 120.400 -0.127 0.000 2.374 572 D HA 0.156 4.797 4.640 0.000 0.000 0.240 572 D C 0.904 177.140 176.300 -0.107 0.000 1.229 572 D CA 0.385 54.322 54.000 -0.105 0.000 0.895 572 D CB 0.861 41.597 40.800 -0.106 0.000 1.046 572 D HN 0.062 nan 8.370 nan 0.000 0.498 573 T N 1.866 116.368 114.554 -0.086 0.000 3.055 573 T HA -0.042 4.308 4.350 0.000 0.000 0.265 573 T C 1.934 176.593 174.700 -0.068 0.000 1.111 573 T CA 1.492 63.544 62.100 -0.080 0.000 1.118 573 T CB -0.014 68.815 68.868 -0.065 0.000 0.909 573 T HN 0.507 nan 8.240 nan 0.000 0.501 574 S N 0.267 115.930 115.700 -0.061 0.000 2.515 574 S HA 0.225 4.695 4.470 0.000 0.000 0.231 574 S C 0.743 175.310 174.600 -0.055 0.000 0.987 574 S CA 0.350 58.520 58.200 -0.051 0.000 0.936 574 S CB -0.267 62.907 63.200 -0.043 0.000 0.766 574 S HN 0.373 nan 8.310 nan 0.000 0.528 575 L N 2.832 124.011 121.223 -0.074 0.000 2.260 575 L HA 0.455 4.796 4.340 0.000 0.000 0.289 575 L C -2.733 174.089 176.870 -0.080 0.000 1.057 575 L CA -2.130 52.663 54.840 -0.079 0.000 0.811 575 L CB 1.101 43.097 42.059 -0.105 0.000 1.184 575 L HN -0.139 nan 8.230 nan 0.000 0.429 576 P HA 0.074 nan 4.420 nan 0.000 0.269 576 P C 0.900 178.170 177.300 -0.050 0.000 1.209 576 P CA -0.140 62.941 63.100 -0.031 0.000 0.776 576 P CB 0.703 32.407 31.700 0.007 0.000 0.876 577 L N 1.174 122.353 121.223 -0.074 0.000 2.042 577 L HA -0.221 4.119 4.340 0.000 0.000 0.210 577 L C 1.726 178.580 176.870 -0.027 0.000 1.076 577 L CA 1.675 56.413 54.840 -0.171 0.000 0.749 577 L CB -0.653 41.108 42.059 -0.497 0.000 0.893 577 L HN 0.385 nan 8.230 nan 0.000 0.432 578 D N -0.036 120.448 120.400 0.141 0.000 2.149 578 D HA -0.195 4.445 4.640 0.000 0.000 0.198 578 D C 2.102 178.480 176.300 0.129 0.000 0.990 578 D CA 1.277 55.411 54.000 0.222 0.000 0.839 578 D CB -0.044 40.907 40.800 0.252 0.000 0.948 578 D HN 0.482 nan 8.370 nan 0.000 0.460 579 E N -0.097 120.134 120.200 0.051 0.000 2.112 579 E HA -0.080 4.270 4.350 0.000 0.000 0.190 579 E C 2.109 178.701 176.600 -0.013 0.000 0.979 579 E CA 0.001 56.409 56.400 0.013 0.000 0.814 579 E CB -0.003 29.688 29.700 -0.014 0.000 0.762 579 E HN 0.114 nan 8.360 nan 0.000 0.460 580 L N 1.221 122.421 121.223 -0.039 0.000 2.042 580 L HA -0.123 4.217 4.340 0.000 0.000 0.210 580 L C 1.987 178.888 176.870 0.052 0.000 1.076 580 L CA 1.422 56.223 54.840 -0.064 0.000 0.749 580 L CB -0.061 41.894 42.059 -0.173 0.000 0.893 580 L HN 0.113 nan 8.230 nan 0.000 0.432 581 V N -2.403 117.547 119.914 0.059 0.000 3.249 581 V HA 0.556 4.676 4.120 0.000 0.000 0.338 581 V C 0.926 177.048 176.094 0.047 0.000 1.363 581 V CA -0.295 62.066 62.300 0.102 0.000 1.205 581 V CB -1.385 30.471 31.823 0.055 0.000 1.164 581 V HN 0.339 nan 8.190 nan 0.000 0.458 582 A N 0.984 123.805 122.820 0.001 0.000 2.498 582 A HA 0.290 4.610 4.320 0.000 0.000 0.239 582 A C 0.223 177.673 177.584 -0.223 0.000 1.068 582 A CA 0.284 52.310 52.037 -0.018 0.000 0.766 582 A CB -0.079 18.909 19.000 -0.021 0.000 1.003 582 A HN 0.709 nan 8.150 nan 0.000 0.497 583 D N 2.509 122.816 120.400 -0.156 0.000 2.401 583 D HA 0.247 4.888 4.640 0.000 0.000 0.254 583 D C -1.447 174.735 176.300 -0.196 0.000 1.192 583 D CA -1.080 52.769 54.000 -0.252 0.000 0.885 583 D CB 0.858 41.654 40.800 -0.006 0.000 1.147 583 D HN 0.182 nan 8.370 nan 0.000 0.478 584 P HA -0.170 nan 4.420 nan 0.000 0.215 584 P C 1.505 178.787 177.300 -0.030 0.000 1.153 584 P CA 0.455 63.494 63.100 -0.101 0.000 0.853 584 P CB 0.165 31.823 31.700 -0.070 0.000 0.788 585 V N -0.243 119.665 119.914 -0.010 0.000 2.332 585 V HA -0.246 3.875 4.120 0.000 0.000 0.248 585 V C 2.356 178.451 176.094 0.002 0.000 1.055 585 V CA 2.611 64.915 62.300 0.006 0.000 1.038 585 V CB -1.773 30.059 31.823 0.015 0.000 0.651 585 V HN 0.204 nan 8.190 nan 0.000 0.450 586 T N 0.127 114.677 114.554 -0.007 0.000 2.821 586 T HA -0.090 4.260 4.350 0.000 0.000 0.267 586 T C 2.077 176.771 174.700 -0.009 0.000 1.046 586 T CA 1.347 63.443 62.100 -0.008 0.000 1.139 586 T CB -0.409 68.452 68.868 -0.012 0.000 0.871 586 T HN 0.565 nan 8.240 nan 0.000 0.454 587 A N 1.116 123.924 122.820 -0.020 0.000 1.917 587 A HA -0.103 4.217 4.320 0.000 0.000 0.219 587 A C 2.557 180.148 177.584 0.011 0.000 1.182 587 A CA 1.586 53.612 52.037 -0.019 0.000 0.633 587 A CB -1.088 17.887 19.000 -0.041 0.000 0.819 587 A HN 0.368 nan 8.150 nan 0.000 0.448 588 V N -0.083 119.854 119.914 0.038 0.000 2.548 588 V HA -0.211 3.909 4.120 0.000 0.000 0.249 588 V C 2.305 178.431 176.094 0.053 0.000 1.055 588 V CA 2.112 64.467 62.300 0.092 0.000 1.065 588 V CB -0.741 31.145 31.823 0.104 0.000 0.681 588 V HN 0.650 nan 8.190 nan 0.000 0.462 589 E N -0.172 120.042 120.200 0.024 0.000 2.208 589 E HA -0.191 4.159 4.350 0.000 0.000 0.193 589 E C 2.223 178.830 176.600 0.012 0.000 0.988 589 E CA 0.717 57.125 56.400 0.013 0.000 0.828 589 E CB -0.070 29.633 29.700 0.004 0.000 0.763 589 E HN 0.480 nan 8.360 nan 0.000 0.478 590 K N 1.194 121.599 120.400 0.009 0.000 2.026 590 K HA -0.136 4.184 4.320 0.000 0.000 0.208 590 K C 2.148 178.752 176.600 0.007 0.000 1.048 590 K CA 0.857 57.146 56.287 0.003 0.000 0.929 590 K CB -0.047 32.449 32.500 -0.006 0.000 0.713 590 K HN 0.097 nan 8.250 nan 0.000 0.439 591 L N 0.542 121.775 121.223 0.016 0.000 2.012 591 L HA -0.201 4.139 4.340 0.000 0.000 0.210 591 L C 2.622 179.512 176.870 0.033 0.000 1.073 591 L CA 1.429 56.284 54.840 0.025 0.000 0.748 591 L CB -0.540 41.549 42.059 0.050 0.000 0.891 591 L HN 0.284 nan 8.230 nan 0.000 0.431 592 A N -1.143 121.700 122.820 0.039 0.000 1.972 592 A HA -0.231 4.090 4.320 0.000 0.000 0.219 592 A C 2.277 179.872 177.584 0.019 0.000 1.169 592 A CA 1.451 53.507 52.037 0.031 0.000 0.635 592 A CB -0.423 18.591 19.000 0.022 0.000 0.810 592 A HN 0.432 nan 8.150 nan 0.000 0.446 593 Q N -0.375 119.433 119.800 0.014 0.000 2.137 593 Q HA -0.169 4.171 4.340 0.000 0.000 0.198 593 Q C 2.152 178.157 176.000 0.008 0.000 0.960 593 Q CA 1.790 57.598 55.803 0.008 0.000 0.847 593 Q CB -0.196 28.545 28.738 0.004 0.000 0.915 593 Q HN 0.857 nan 8.270 nan 0.000 0.448 594 Q N 0.004 119.809 119.800 0.008 0.000 2.119 594 Q HA -0.134 4.206 4.340 0.000 0.000 0.201 594 Q C 1.144 177.150 176.000 0.010 0.000 0.972 594 Q CA 1.491 57.298 55.803 0.006 0.000 0.847 594 Q CB 0.210 28.949 28.738 0.001 0.000 0.903 594 Q HN 0.390 nan 8.270 nan 0.000 0.433 595 E N -2.049 118.160 120.200 0.016 0.000 2.431 595 E HA 0.134 4.484 4.350 0.000 0.000 0.200 595 E C 0.732 177.345 176.600 0.023 0.000 0.995 595 E CA 0.399 56.811 56.400 0.021 0.000 0.915 595 E CB 0.994 30.712 29.700 0.031 0.000 0.930 595 E HN 0.564 nan 8.360 nan 0.000 0.496 596 G N 1.538 110.351 108.800 0.020 0.000 2.195 596 G HA2 -0.260 3.700 3.960 0.000 0.000 0.224 596 G HA3 -0.260 3.700 3.960 0.000 0.000 0.224 596 G C 0.184 175.095 174.900 0.019 0.000 0.990 596 G CA 0.250 45.361 45.100 0.018 0.000 0.639 596 G HN 0.244 nan 8.290 nan 0.000 0.514 597 Q N -0.337 119.477 119.800 0.024 0.000 2.472 597 Q HA 0.554 4.894 4.340 0.000 0.000 0.281 597 Q C -1.096 174.918 176.000 0.025 0.000 0.997 597 Q CA -0.416 55.401 55.803 0.023 0.000 0.828 597 Q CB 1.355 30.110 28.738 0.027 0.000 1.443 597 Q HN 0.151 nan 8.270 nan 0.000 0.390 598 T N 0.770 115.329 114.554 0.007 0.000 2.817 598 T HA 0.481 4.831 4.350 0.000 0.000 0.293 598 T C 0.576 175.248 174.700 -0.046 0.000 0.964 598 T CA 0.817 62.908 62.100 -0.014 0.000 1.085 598 T CB 0.872 69.719 68.868 -0.035 0.000 0.921 598 T HN 0.932 nan 8.240 nan 0.000 0.502 599 G N 2.887 111.633 108.800 -0.090 0.000 2.182 599 G HA2 -0.206 3.754 3.960 0.000 0.000 0.248 599 G HA3 -0.206 3.754 3.960 0.000 0.000 0.248 599 G C 0.057 174.971 174.900 0.022 0.000 1.042 599 G CA -0.426 44.503 45.100 -0.284 0.000 0.775 599 G HN 0.679 nan 8.290 nan 0.000 0.501 600 L N 0.517 121.841 121.223 0.168 0.000 2.426 600 L HA 0.305 4.646 4.340 0.000 0.000 0.271 600 L C -1.200 175.851 176.870 0.301 0.000 1.169 600 L CA -1.824 53.128 54.840 0.187 0.000 0.836 600 L CB 0.535 42.673 42.059 0.132 0.000 1.112 600 L HN -0.012 nan 8.230 nan 0.000 0.465 601 P HA -0.058 nan 4.420 nan 0.000 0.270 601 P C -0.457 176.965 177.300 0.205 0.000 1.227 601 P CA -0.212 63.048 63.100 0.268 0.000 0.788 601 P CB 0.241 32.072 31.700 0.219 0.000 0.926 602 H N 3.427 122.542 119.070 0.075 0.000 3.094 602 H HA -0.037 4.519 4.556 0.000 0.000 0.320 602 H C -1.252 174.102 175.328 0.043 0.000 1.000 602 H CA -0.959 55.104 56.048 0.024 0.000 1.413 602 H CB 0.225 30.000 29.762 0.022 0.000 1.405 602 H HN 0.251 nan 8.280 nan 0.000 0.586 603 P HA -0.098 nan 4.420 nan 0.000 0.220 603 P C 0.485 177.920 177.300 0.225 0.000 1.148 603 P CA 1.427 64.643 63.100 0.193 0.000 0.803 603 P CB 0.303 32.064 31.700 0.101 0.000 0.782 604 K N -0.541 120.071 120.400 0.353 0.000 2.404 604 K HA 0.213 4.533 4.320 0.000 0.000 0.194 604 K C 0.614 177.196 176.600 -0.030 0.000 1.023 604 K CA 0.195 56.535 56.287 0.088 0.000 1.094 604 K CB 0.171 32.666 32.500 -0.007 0.000 0.841 604 K HN 0.240 nan 8.250 nan 0.000 0.523 605 I N 3.124 123.702 120.570 0.014 0.000 2.668 605 I HA 0.194 4.364 4.170 0.000 0.000 0.276 605 I C -2.411 173.765 176.117 0.098 0.000 1.139 605 I CA -2.121 59.168 61.300 -0.018 0.000 1.133 605 I CB 0.879 38.785 38.000 -0.155 0.000 1.327 605 I HN -0.148 nan 8.210 nan 0.000 0.520 606 P HA 0.199 nan 4.420 nan 0.000 0.274 606 P C -0.026 177.413 177.300 0.232 0.000 1.246 606 P CA -0.352 62.836 63.100 0.147 0.000 0.795 606 P CB 1.039 32.795 31.700 0.092 0.000 1.006 607 L N 1.769 123.099 121.223 0.179 0.000 2.506 607 L HA -0.023 4.317 4.340 0.000 0.000 0.281 607 L C -0.965 175.899 176.870 -0.010 0.000 1.228 607 L CA -1.102 53.797 54.840 0.099 0.000 0.850 607 L CB -0.579 41.495 42.059 0.026 0.000 1.110 607 L HN 0.312 nan 8.230 nan 0.000 0.496 608 P HA -0.169 nan 4.420 nan 0.000 0.216 608 P C 1.237 178.479 177.300 -0.096 0.000 1.150 608 P CA 1.500 64.495 63.100 -0.175 0.000 0.843 608 P CB 0.110 31.621 31.700 -0.315 0.000 0.787 609 R N -1.264 119.181 120.500 -0.092 0.000 2.235 609 R HA 0.007 4.348 4.340 0.000 0.000 0.213 609 R C 0.429 176.711 176.300 -0.029 0.000 1.059 609 R CA 0.579 56.644 56.100 -0.059 0.000 0.997 609 R CB -0.345 29.919 30.300 -0.060 0.000 0.884 609 R HN 0.315 nan 8.270 nan 0.000 0.462 610 D N 0.000 120.392 120.400 -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 54.003 54.000 0.006 0.000 0.868 610 D CB 0.000 40.814 40.800 0.023 0.000 0.688 610 D HN 0.000 nan 8.370 nan 0.000 0.683