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 1gv4_1_B DATA FIRST_RESID 121 DATA SEQUENCE TVPQIRAPSH VPFLLIGGGT AAFAAARSIR ARDPGARVLI VSEDPELPYM DATA SEQUENCE RPPLSKELWF SDDPNVTKTL QFRQWNGKER SIYFQPPSFY VSAQDLPNIE DATA SEQUENCE NGGVAVLTGK KVVHLDVRGN MVKLNDGSQI TFEKCLIATG GTPRSLSAID DATA SEQUENCE RAGAEVKSRT TLFRKIGDFR ALEKISREVK SITVIGGGFL GSELACALGR DATA SEQUENCE KSQASGIEVI QLFPEKGNMG KILPQYLSNW TMEKVKREGV KVMPNAIVQS DATA SEQUENCE VGVSGGRLLI KLKDGRKVET DHIVTAVGLE PNVELAKTGG LEIDSDFGGF DATA SEQUENCE RVNAELQARS NIWVAGDAAC FYDIKLGRRR VEHHDHAVVS GRLAGENMTG DATA SEQUENCE AAKPYWHQSM FWSDLGPDVG YEAIGLVDSS LPTVGVFAKA TAQDNPKSAT DATA SEQUENCE EQSGTGIRSE SETESEASEI TIPPSAPAVP QVPVEGEDYG KGVIFYLRDK DATA SEQUENCE VVVGIVLWNV FNRMPIARKI IKDGEQHEDL NEVAKLFNIH 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 121 T HA 0.000 nan 4.350 nan 0.000 0.228 121 T C 0.000 174.704 174.700 0.007 0.000 1.109 121 T CA 0.000 62.104 62.100 0.006 0.000 1.349 121 T CB 0.000 68.872 68.868 0.007 0.000 0.612 122 V N -0.970 118.949 119.914 0.007 0.000 3.164 122 V HA 1.000 5.120 4.120 0.000 0.000 0.313 122 V C -2.851 173.248 176.094 0.008 0.000 1.188 122 V CA -2.881 59.424 62.300 0.008 0.000 1.058 122 V CB 0.788 32.616 31.823 0.007 0.000 1.110 122 V HN 0.786 nan 8.190 nan 0.000 0.453 123 P HA 0.491 nan 4.420 nan 0.000 0.268 123 P C -1.046 176.260 177.300 0.010 0.000 1.205 123 P CA 0.193 63.299 63.100 0.010 0.000 0.771 123 P CB 0.363 32.069 31.700 0.010 0.000 0.858 124 Q N 0.830 120.636 119.800 0.010 0.000 2.495 124 Q HA 0.544 4.884 4.340 0.000 0.000 0.287 124 Q C -0.594 175.413 176.000 0.011 0.000 1.078 124 Q CA -0.795 55.014 55.803 0.010 0.000 0.793 124 Q CB 1.890 30.633 28.738 0.010 0.000 1.459 124 Q HN 0.350 nan 8.270 nan 0.000 0.422 125 I N 1.348 121.924 120.570 0.010 0.000 2.416 125 I HA 0.241 4.411 4.170 0.000 0.000 0.288 125 I C 0.147 176.271 176.117 0.012 0.000 1.051 125 I CA -0.160 61.147 61.300 0.011 0.000 1.375 125 I CB 0.641 38.646 38.000 0.009 0.000 1.407 125 I HN 0.312 nan 8.210 nan 0.000 0.516 126 R N 5.251 125.760 120.500 0.015 0.000 2.298 126 R HA 0.516 4.856 4.340 0.000 0.000 0.310 126 R C -0.167 176.143 176.300 0.017 0.000 1.068 126 R CA -0.287 55.823 56.100 0.017 0.000 0.957 126 R CB 0.822 31.134 30.300 0.020 0.000 1.003 126 R HN 0.793 nan 8.270 nan 0.000 0.454 127 A N 5.906 128.736 122.820 0.016 0.000 2.386 127 A HA 0.369 4.689 4.320 0.000 0.000 0.248 127 A C -2.023 175.574 177.584 0.021 0.000 1.082 127 A CA -1.342 50.705 52.037 0.016 0.000 0.789 127 A CB -0.122 18.886 19.000 0.014 0.000 1.025 127 A HN 0.626 nan 8.150 nan 0.000 0.490 128 P HA 0.163 nan 4.420 nan 0.000 0.265 128 P C -0.183 177.139 177.300 0.038 0.000 1.187 128 P CA 0.490 63.606 63.100 0.026 0.000 0.766 128 P CB 0.557 32.267 31.700 0.018 0.000 0.820 129 S N 0.926 116.658 115.700 0.054 0.000 2.638 129 S HA 0.637 5.108 4.470 0.000 0.000 0.274 129 S C -1.456 173.214 174.600 0.118 0.000 1.157 129 S CA -0.739 57.505 58.200 0.074 0.000 0.826 129 S CB 1.704 64.938 63.200 0.056 0.000 1.139 129 S HN 0.594 nan 8.310 nan 0.000 0.474 130 H N -0.908 118.170 119.070 0.014 0.000 2.690 130 H HA 0.832 5.388 4.556 0.000 0.000 0.368 130 H C -1.571 173.772 175.328 0.025 0.000 1.150 130 H CA -0.686 55.369 56.048 0.011 0.000 1.174 130 H CB 1.847 31.600 29.762 -0.014 0.000 1.684 130 H HN 0.712 nan 8.280 nan 0.000 0.538 131 V N 6.605 126.112 119.914 -0.678 0.000 2.851 131 V HA 0.284 4.404 4.120 0.000 0.000 0.307 131 V C -2.238 173.538 176.094 -0.531 0.000 1.129 131 V CA -2.071 59.983 62.300 -0.410 0.000 0.932 131 V CB 2.444 34.195 31.823 -0.120 0.000 1.024 131 V HN 0.782 nan 8.190 nan 0.000 0.426 132 P HA -0.006 nan 4.420 nan 0.000 0.214 132 P C -0.303 176.656 177.300 -0.568 0.000 1.163 132 P CA 1.418 64.254 63.100 -0.439 0.000 0.883 132 P CB 0.151 31.611 31.700 -0.400 0.000 0.788 133 F N -0.904 119.025 119.950 -0.036 0.000 2.402 133 F HA 0.403 4.930 4.527 0.000 0.000 0.355 133 F C 0.018 175.783 175.800 -0.058 0.000 1.123 133 F CA -1.066 56.907 58.000 -0.045 0.000 1.021 133 F CB 1.051 40.005 39.000 -0.076 0.000 1.160 133 F HN -0.251 nan 8.300 nan 0.000 0.451 134 L N 5.806 127.060 121.223 0.051 0.000 2.305 134 L HA 0.606 4.946 4.340 0.000 0.000 0.284 134 L C -1.280 175.549 176.870 -0.068 0.000 1.013 134 L CA -0.559 54.263 54.840 -0.030 0.000 0.819 134 L CB 0.990 42.975 42.059 -0.123 0.000 1.227 134 L HN 0.468 nan 8.230 nan 0.000 0.417 135 L N 6.577 127.780 121.223 -0.034 0.000 2.287 135 L HA 0.505 4.846 4.340 0.000 0.000 0.287 135 L C -0.400 176.445 176.870 -0.042 0.000 1.022 135 L CA -0.585 54.227 54.840 -0.047 0.000 0.814 135 L CB 1.435 43.477 42.059 -0.029 0.000 1.217 135 L HN 0.520 nan 8.230 nan 0.000 0.420 136 I N 3.588 124.119 120.570 -0.064 0.000 2.291 136 I HA 0.549 4.719 4.170 0.000 0.000 0.292 136 I C 0.709 176.816 176.117 -0.018 0.000 1.064 136 I CA -0.083 61.191 61.300 -0.043 0.000 1.269 136 I CB 0.739 38.698 38.000 -0.069 0.000 1.418 136 I HN 0.861 nan 8.210 nan 0.000 0.485 137 G N 3.757 112.560 108.800 0.005 0.000 2.742 137 G HA2 0.082 4.042 3.960 0.000 0.000 0.686 137 G HA3 0.082 4.042 3.960 0.000 0.000 0.686 137 G C -0.234 174.682 174.900 0.026 0.000 1.220 137 G CA -0.516 44.595 45.100 0.018 0.000 0.783 137 G HN 0.893 nan 8.290 nan 0.000 0.646 138 G N 0.352 109.174 108.800 0.037 0.000 4.912 138 G HA2 0.725 4.685 3.960 0.000 0.000 0.307 138 G HA3 0.725 4.685 3.960 0.000 0.000 0.307 138 G C 0.657 175.598 174.900 0.069 0.000 1.381 138 G CA 0.909 46.048 45.100 0.065 0.000 1.057 138 G HN 1.343 nan 8.290 nan 0.000 0.593 139 G N -0.205 108.623 108.800 0.047 0.000 2.782 139 G HA2 0.406 4.366 3.960 0.000 0.000 0.201 139 G HA3 0.406 4.366 3.960 0.000 0.000 0.201 139 G C 1.069 176.037 174.900 0.113 0.000 1.374 139 G CA 0.360 45.481 45.100 0.035 0.000 1.039 139 G HN 0.061 nan 8.290 nan 0.000 0.576 140 T N 0.924 115.543 114.554 0.109 0.000 2.737 140 T HA -0.037 4.313 4.350 0.000 0.000 0.265 140 T C 2.717 177.340 174.700 -0.128 0.000 1.038 140 T CA 1.917 64.029 62.100 0.019 0.000 1.144 140 T CB -0.439 68.474 68.868 0.075 0.000 0.866 140 T HN 0.540 nan 8.240 nan 0.000 0.434 141 A N 1.459 124.222 122.820 -0.096 0.000 1.898 141 A HA 0.212 4.532 4.320 0.000 0.000 0.216 141 A C 2.657 180.163 177.584 -0.130 0.000 1.181 141 A CA 1.761 53.710 52.037 -0.147 0.000 0.620 141 A CB -1.152 17.760 19.000 -0.146 0.000 0.819 141 A HN 0.490 nan 8.150 nan 0.000 0.442 142 A N -0.963 121.816 122.820 -0.068 0.000 1.883 142 A HA -0.124 4.196 4.320 0.000 0.000 0.217 142 A C 2.075 179.627 177.584 -0.053 0.000 1.186 142 A CA 1.755 53.763 52.037 -0.049 0.000 0.624 142 A CB -0.829 18.176 19.000 0.009 0.000 0.822 142 A HN 0.713 nan 8.150 nan 0.000 0.444 143 F N 0.986 120.836 119.950 -0.167 0.000 2.126 143 F HA -0.118 4.409 4.527 0.000 0.000 0.299 143 F C 2.517 178.158 175.800 -0.265 0.000 1.096 143 F CA 1.337 59.214 58.000 -0.206 0.000 1.255 143 F CB -0.426 38.304 39.000 -0.450 0.000 0.997 143 F HN 0.249 nan 8.300 nan 0.000 0.479 144 A N 0.250 122.916 122.820 -0.258 0.000 1.933 144 A HA -0.066 4.254 4.320 0.000 0.000 0.218 144 A C 2.396 179.786 177.584 -0.322 0.000 1.175 144 A CA 1.783 53.643 52.037 -0.295 0.000 0.628 144 A CB -1.521 17.341 19.000 -0.230 0.000 0.814 144 A HN 0.516 nan 8.150 nan 0.000 0.444 145 A N -0.116 122.534 122.820 -0.283 0.000 1.873 145 A HA 0.204 4.524 4.320 0.000 0.000 0.215 145 A C 2.536 179.931 177.584 -0.315 0.000 1.186 145 A CA 1.996 53.864 52.037 -0.280 0.000 0.616 145 A CB -1.123 17.736 19.000 -0.234 0.000 0.823 145 A HN 1.070 nan 8.150 nan 0.000 0.442 146 A N -0.235 122.401 122.820 -0.307 0.000 1.892 146 A HA -0.220 4.100 4.320 0.000 0.000 0.218 146 A C 2.277 179.653 177.584 -0.348 0.000 1.188 146 A CA 1.683 53.542 52.037 -0.297 0.000 0.631 146 A CB -0.540 18.334 19.000 -0.210 0.000 0.822 146 A HN 0.488 nan 8.150 nan 0.000 0.447 147 R N -0.776 119.440 120.500 -0.473 0.000 2.092 147 R HA -0.089 4.251 4.340 0.000 0.000 0.231 147 R C 2.635 178.769 176.300 -0.277 0.000 1.119 147 R CA 1.383 57.259 56.100 -0.373 0.000 0.970 147 R CB -0.523 29.508 30.300 -0.448 0.000 0.864 147 R HN 0.602 nan 8.270 nan 0.000 0.440 148 S N 0.875 116.398 115.700 -0.295 0.000 2.355 148 S HA -0.075 4.395 4.470 0.000 0.000 0.222 148 S C 2.029 176.454 174.600 -0.292 0.000 1.031 148 S CA 0.817 58.861 58.200 -0.260 0.000 0.993 148 S CB -0.078 62.964 63.200 -0.263 0.000 0.859 148 S HN 0.183 nan 8.310 nan 0.000 0.453 149 I N 1.338 121.685 120.570 -0.372 0.000 2.163 149 I HA -0.187 3.983 4.170 0.000 0.000 0.243 149 I C 2.862 178.753 176.117 -0.376 0.000 1.085 149 I CA 1.290 62.294 61.300 -0.492 0.000 1.347 149 I CB -0.349 37.219 38.000 -0.720 0.000 1.044 149 I HN 0.250 nan 8.210 nan 0.000 0.408 150 R N 0.624 120.947 120.500 -0.295 0.000 2.127 150 R HA -0.138 4.202 4.340 0.000 0.000 0.238 150 R C 2.290 178.495 176.300 -0.159 0.000 1.134 150 R CA 1.496 57.473 56.100 -0.204 0.000 0.975 150 R CB -0.447 29.756 30.300 -0.162 0.000 0.865 150 R HN 0.406 nan 8.270 nan 0.000 0.447 151 A N 0.740 123.463 122.820 -0.162 0.000 1.970 151 A HA -0.059 4.261 4.320 0.000 0.000 0.216 151 A C 2.047 179.560 177.584 -0.119 0.000 1.170 151 A CA 0.753 52.716 52.037 -0.123 0.000 0.645 151 A CB -0.070 18.860 19.000 -0.117 0.000 0.816 151 A HN 0.039 nan 8.150 nan 0.000 0.447 152 R N -0.213 120.194 120.500 -0.154 0.000 2.127 152 R HA 0.016 4.356 4.340 0.000 0.000 0.217 152 R C -0.420 175.812 176.300 -0.113 0.000 1.074 152 R CA 0.974 56.992 56.100 -0.138 0.000 0.991 152 R CB -0.308 29.887 30.300 -0.175 0.000 0.895 152 R HN 0.506 nan 8.270 nan 0.000 0.450 153 D N -0.287 120.033 120.400 -0.133 0.000 2.346 153 D HA 0.210 4.850 4.640 0.000 0.000 0.255 153 D C -2.182 174.074 176.300 -0.073 0.000 1.276 153 D CA -2.189 51.763 54.000 -0.080 0.000 0.941 153 D CB 1.518 42.283 40.800 -0.059 0.000 1.199 153 D HN -0.168 nan 8.370 nan 0.000 0.537 154 P HA 0.057 nan 4.420 nan 0.000 0.225 154 P C 1.213 178.491 177.300 -0.037 0.000 1.148 154 P CA 0.687 63.756 63.100 -0.052 0.000 0.779 154 P CB 0.380 32.055 31.700 -0.041 0.000 0.780 155 G N -0.767 108.025 108.800 -0.014 0.000 3.042 155 G HA2 0.243 4.203 3.960 0.000 0.000 0.212 155 G HA3 0.243 4.203 3.960 0.000 0.000 0.212 155 G C 0.556 175.468 174.900 0.020 0.000 1.166 155 G CA 0.198 45.298 45.100 0.000 0.000 0.767 155 G HN 0.402 nan 8.290 nan 0.000 0.546 156 A N 0.581 123.415 122.820 0.023 0.000 2.587 156 A HA 0.370 4.690 4.320 0.000 0.000 0.233 156 A C 0.434 178.065 177.584 0.079 0.000 1.049 156 A CA 0.244 52.336 52.037 0.091 0.000 0.754 156 A CB 0.116 19.094 19.000 -0.036 0.000 0.977 156 A HN 0.405 nan 8.150 nan 0.000 0.509 157 R N 1.340 121.943 120.500 0.173 0.000 2.265 157 R HA 0.509 4.850 4.340 0.000 0.000 0.328 157 R C -1.354 175.059 176.300 0.190 0.000 0.969 157 R CA -0.385 55.786 56.100 0.119 0.000 0.832 157 R CB 1.605 31.954 30.300 0.081 0.000 1.139 157 R HN 0.462 nan 8.270 nan 0.000 0.457 158 V N 4.702 124.679 119.914 0.104 0.000 2.540 158 V HA 0.388 4.509 4.120 0.000 0.000 0.302 158 V C -0.943 175.194 176.094 0.073 0.000 1.035 158 V CA -0.956 61.410 62.300 0.111 0.000 0.873 158 V CB 1.999 33.832 31.823 0.017 0.000 0.992 158 V HN 0.476 nan 8.190 nan 0.000 0.428 159 L N 6.066 127.331 121.223 0.070 0.000 2.333 159 L HA 0.655 4.996 4.340 0.000 0.000 0.280 159 L C -0.640 176.258 176.870 0.047 0.000 1.004 159 L CA 0.039 54.911 54.840 0.054 0.000 0.820 159 L CB 1.306 43.387 42.059 0.036 0.000 1.247 159 L HN 0.559 nan 8.230 nan 0.000 0.416 160 I N 5.817 126.421 120.570 0.057 0.000 2.315 160 I HA 0.356 4.526 4.170 0.000 0.000 0.291 160 I C -0.643 175.490 176.117 0.027 0.000 1.006 160 I CA -0.677 60.650 61.300 0.045 0.000 1.265 160 I CB 1.566 39.610 38.000 0.074 0.000 1.387 160 I HN 0.282 nan 8.210 nan 0.000 0.475 161 V N 5.525 125.450 119.914 0.019 0.000 2.398 161 V HA 0.422 4.543 4.120 0.000 0.000 0.286 161 V C -0.016 176.091 176.094 0.021 0.000 1.026 161 V CA -0.261 62.050 62.300 0.019 0.000 0.868 161 V CB 1.529 33.364 31.823 0.020 0.000 0.982 161 V HN 0.748 nan 8.190 nan 0.000 0.443 162 S N 2.241 117.955 115.700 0.023 0.000 2.547 162 S HA 0.358 4.828 4.470 0.000 0.000 0.281 162 S C 0.648 175.269 174.600 0.036 0.000 1.118 162 S CA -0.550 57.668 58.200 0.030 0.000 0.947 162 S CB 2.022 65.241 63.200 0.033 0.000 1.053 162 S HN 0.901 nan 8.310 nan 0.000 0.482 163 E N 2.280 122.505 120.200 0.042 0.000 2.051 163 E HA -0.109 4.242 4.350 0.000 0.000 0.192 163 E C -0.370 176.260 176.600 0.051 0.000 0.991 163 E CA 1.029 57.456 56.400 0.045 0.000 0.799 163 E CB 0.076 29.804 29.700 0.047 0.000 0.748 163 E HN 0.640 nan 8.360 nan 0.000 0.449 164 D N 0.021 120.459 120.400 0.063 0.000 2.389 164 D HA 0.011 4.651 4.640 0.000 0.000 0.247 164 D C -1.755 174.592 176.300 0.079 0.000 1.128 164 D CA -1.450 52.599 54.000 0.081 0.000 0.884 164 D CB 1.194 42.065 40.800 0.118 0.000 1.194 164 D HN 0.032 nan 8.370 nan 0.000 0.441 165 P HA -0.101 nan 4.420 nan 0.000 0.218 165 P C 0.119 177.461 177.300 0.069 0.000 1.148 165 P CA 0.894 64.027 63.100 0.054 0.000 0.822 165 P CB 0.348 32.074 31.700 0.043 0.000 0.784 166 E N 0.016 120.293 120.200 0.129 0.000 2.415 166 E HA 0.027 4.378 4.350 0.000 0.000 0.262 166 E C 0.581 177.300 176.600 0.198 0.000 1.038 166 E CA 0.016 56.533 56.400 0.196 0.000 0.921 166 E CB 0.316 30.218 29.700 0.336 0.000 0.950 166 E HN 0.194 nan 8.360 nan 0.000 0.438 167 L N 3.309 124.614 121.223 0.138 0.000 2.482 167 L HA 0.071 4.411 4.340 0.000 0.000 0.273 167 L C -1.917 175.155 176.870 0.338 0.000 1.228 167 L CA -1.616 53.272 54.840 0.079 0.000 0.827 167 L CB -0.352 41.649 42.059 -0.096 0.000 1.099 167 L HN 0.189 nan 8.230 nan 0.000 0.494 168 P HA -0.002 nan 4.420 nan 0.000 0.262 168 P C -1.508 176.028 177.300 0.394 0.000 1.182 168 P CA 0.555 63.872 63.100 0.362 0.000 0.761 168 P CB 0.171 32.169 31.700 0.497 0.000 0.795 169 Y N 0.970 121.327 120.300 0.094 0.000 2.625 169 Y HA 0.642 5.192 4.550 0.000 0.000 0.338 169 Y C -0.557 175.067 175.900 -0.460 0.000 1.123 169 Y CA -1.819 56.028 58.100 -0.421 0.000 1.046 169 Y CB 1.003 39.253 38.460 -0.351 0.000 1.299 169 Y HN 0.257 nan 8.280 nan 0.000 0.464 170 M N 1.890 121.186 119.600 -0.507 0.000 2.277 170 M HA 0.595 5.076 4.480 0.000 0.000 0.350 170 M C -0.367 175.956 176.300 0.039 0.000 1.180 170 M CA -0.493 54.711 55.300 -0.159 0.000 1.103 170 M CB 2.261 34.758 32.600 -0.173 0.000 1.577 170 M HN 0.916 nan 8.290 nan 0.000 0.459 171 R N 1.160 121.719 120.500 0.098 0.000 2.128 171 R HA 0.143 4.483 4.340 0.000 0.000 0.211 171 R C -0.959 175.354 176.300 0.021 0.000 1.067 171 R CA 0.404 56.564 56.100 0.101 0.000 1.010 171 R CB -1.529 28.845 30.300 0.124 0.000 0.922 171 R HN 0.579 nan 8.270 nan 0.000 0.457 172 P HA -0.147 nan 4.420 nan 0.000 0.217 172 P C -1.589 175.613 177.300 -0.163 0.000 1.158 172 P CA 1.788 64.823 63.100 -0.108 0.000 0.887 172 P CB -0.969 30.666 31.700 -0.108 0.000 0.792 173 P HA -0.123 nan 4.420 nan 0.000 0.218 173 P C 1.455 178.543 177.300 -0.354 0.000 1.148 173 P CA 1.108 63.826 63.100 -0.635 0.000 0.822 173 P CB -0.628 30.304 31.700 -1.280 0.000 0.784 174 L N -0.511 120.598 121.223 -0.189 0.000 2.081 174 L HA -0.188 4.152 4.340 0.000 0.000 0.212 174 L C 2.079 179.223 176.870 0.457 0.000 1.080 174 L CA 2.180 57.028 54.840 0.013 0.000 0.754 174 L CB -1.107 41.080 42.059 0.213 0.000 0.893 174 L HN 0.156 nan 8.230 nan 0.000 0.433 175 S N -2.695 113.224 115.700 0.366 0.000 2.539 175 S HA 0.175 4.645 4.470 0.000 0.000 0.221 175 S C 1.066 175.860 174.600 0.323 0.000 0.987 175 S CA -0.536 57.850 58.200 0.309 0.000 0.929 175 S CB 0.482 63.739 63.200 0.096 0.000 0.832 175 S HN 0.356 nan 8.310 nan 0.000 0.492 176 K N 1.393 121.975 120.400 0.303 0.000 4.399 176 K HA 0.352 4.672 4.320 0.000 0.000 0.226 176 K C 1.206 178.023 176.600 0.363 0.000 1.205 176 K CA 0.058 56.547 56.287 0.336 0.000 1.822 176 K CB -0.205 32.386 32.500 0.152 0.000 2.605 176 K HN -0.020 nan 8.250 nan 0.000 0.531 177 E N 1.794 121.882 120.200 -0.188 0.000 2.209 177 E HA -0.131 4.220 4.350 0.000 0.000 0.196 177 E C 1.755 178.411 176.600 0.094 0.000 0.993 177 E CA 0.907 57.158 56.400 -0.250 0.000 0.819 177 E CB -0.183 29.185 29.700 -0.552 0.000 0.745 177 E HN 0.213 nan 8.360 nan 0.000 0.477 178 L N -1.070 120.105 121.223 -0.081 0.000 2.353 178 L HA -0.131 4.209 4.340 0.000 0.000 0.220 178 L C 1.279 178.140 176.870 -0.014 0.000 1.133 178 L CA 0.773 55.482 54.840 -0.219 0.000 0.798 178 L CB -0.133 41.412 42.059 -0.857 0.000 0.922 178 L HN 0.316 nan 8.230 nan 0.000 0.445 179 W N -1.882 119.578 121.300 0.268 0.000 3.077 179 W HA 0.093 4.753 4.660 0.000 0.000 0.266 179 W C 0.397 176.954 176.519 0.064 0.000 1.300 179 W CA -0.443 57.027 57.345 0.209 0.000 1.586 179 W CB 0.143 29.674 29.460 0.118 0.000 1.103 179 W HN -0.123 nan 8.180 nan 0.000 0.652 180 F N 1.467 121.624 119.950 0.346 0.000 2.344 180 F HA 0.401 4.928 4.527 0.000 0.000 0.344 180 F C 0.571 176.501 175.800 0.217 0.000 1.140 180 F CA -0.365 57.825 58.000 0.318 0.000 1.256 180 F CB 0.311 39.597 39.000 0.475 0.000 1.573 180 F HN -0.357 nan 8.300 nan 0.000 0.547 181 S N 0.500 116.353 115.700 0.256 0.000 2.587 181 S HA 0.323 4.793 4.470 0.000 0.000 0.269 181 S C -0.510 174.162 174.600 0.120 0.000 1.154 181 S CA -0.727 57.580 58.200 0.180 0.000 0.824 181 S CB 1.708 64.995 63.200 0.146 0.000 1.118 181 S HN 0.374 nan 8.310 nan 0.000 0.462 182 D N 0.284 120.740 120.400 0.093 0.000 2.482 182 D HA 0.106 4.746 4.640 0.000 0.000 0.251 182 D C -0.556 175.772 176.300 0.047 0.000 1.073 182 D CA -0.006 54.033 54.000 0.064 0.000 0.892 182 D CB 0.133 40.968 40.800 0.058 0.000 1.202 182 D HN 0.614 nan 8.370 nan 0.000 0.496 183 D N 2.347 122.777 120.400 0.049 0.000 2.455 183 D HA -0.038 4.602 4.640 0.000 0.000 0.265 183 D C -1.474 174.842 176.300 0.026 0.000 1.284 183 D CA -1.167 52.853 54.000 0.033 0.000 0.944 183 D CB 1.558 42.376 40.800 0.030 0.000 1.121 183 D HN 0.014 nan 8.370 nan 0.000 0.525 184 P HA -0.113 nan 4.420 nan 0.000 0.218 184 P C 0.819 178.122 177.300 0.005 0.000 1.148 184 P CA 0.827 63.930 63.100 0.005 0.000 0.822 184 P CB 0.253 31.954 31.700 0.001 0.000 0.784 185 N N -0.706 117.999 118.700 0.009 0.000 2.512 185 N HA -0.045 4.695 4.740 0.000 0.000 0.183 185 N C 1.599 177.119 175.510 0.016 0.000 1.073 185 N CA 0.495 53.551 53.050 0.010 0.000 0.911 185 N CB -0.383 38.108 38.487 0.007 0.000 0.964 185 N HN 0.064 nan 8.380 nan 0.000 0.447 186 V N 1.685 121.613 119.914 0.024 0.000 2.332 186 V HA -0.245 3.875 4.120 0.000 0.000 0.248 186 V C 2.859 178.982 176.094 0.048 0.000 1.055 186 V CA 2.332 64.651 62.300 0.032 0.000 1.038 186 V CB -1.133 30.716 31.823 0.044 0.000 0.651 186 V HN 0.510 nan 8.190 nan 0.000 0.450 187 T N -1.704 112.888 114.554 0.064 0.000 2.833 187 T HA -0.236 4.114 4.350 0.000 0.000 0.269 187 T C 1.773 176.506 174.700 0.055 0.000 1.054 187 T CA 1.560 63.721 62.100 0.101 0.000 1.135 187 T CB -0.275 68.591 68.868 -0.002 0.000 0.869 187 T HN 0.508 nan 8.240 nan 0.000 0.466 188 K N 0.843 121.258 120.400 0.025 0.000 2.044 188 K HA -0.010 4.310 4.320 0.000 0.000 0.204 188 K C 2.949 179.568 176.600 0.033 0.000 1.049 188 K CA 1.707 58.007 56.287 0.021 0.000 0.945 188 K CB -0.455 32.053 32.500 0.013 0.000 0.724 188 K HN 0.622 nan 8.250 nan 0.000 0.440 189 T N -0.666 113.906 114.554 0.029 0.000 2.942 189 T HA -0.035 4.315 4.350 0.000 0.000 0.265 189 T C 0.955 175.674 174.700 0.031 0.000 1.062 189 T CA 0.260 62.383 62.100 0.037 0.000 1.139 189 T CB -0.045 68.836 68.868 0.022 0.000 0.883 189 T HN 0.071 nan 8.240 nan 0.000 0.468 190 L N 0.239 121.458 121.223 -0.007 0.000 4.232 190 L HA -0.110 4.230 4.340 0.000 0.000 0.415 190 L C -0.380 176.468 176.870 -0.037 0.000 1.168 190 L CA 0.548 55.343 54.840 -0.076 0.000 0.966 190 L CB -2.193 39.749 42.059 -0.194 0.000 2.052 190 L HN 0.513 nan 8.230 nan 0.000 0.887 191 Q N 0.770 120.560 119.800 -0.016 0.000 2.490 191 Q HA 0.425 4.765 4.340 0.000 0.000 0.226 191 Q C 0.317 176.279 176.000 -0.064 0.000 1.132 191 Q CA -0.136 55.629 55.803 -0.063 0.000 0.928 191 Q CB 0.077 28.774 28.738 -0.068 0.000 1.299 191 Q HN 0.416 nan 8.270 nan 0.000 0.528 192 F N -0.334 119.524 119.950 -0.153 0.000 2.403 192 F HA 0.577 5.104 4.527 0.000 0.000 0.320 192 F C 0.247 175.970 175.800 -0.128 0.000 1.176 192 F CA -1.242 56.666 58.000 -0.154 0.000 1.206 192 F CB 0.715 39.585 39.000 -0.217 0.000 1.235 192 F HN 0.066 nan 8.300 nan 0.000 0.565 193 R N 2.452 122.982 120.500 0.050 0.000 2.198 193 R HA 0.241 4.581 4.340 0.000 0.000 0.339 193 R C -0.423 175.884 176.300 0.012 0.000 1.020 193 R CA -0.395 55.686 56.100 -0.031 0.000 0.864 193 R CB 0.861 31.185 30.300 0.039 0.000 1.105 193 R HN 0.756 nan 8.270 nan 0.000 0.463 194 Q N 1.004 120.741 119.800 -0.105 0.000 2.584 194 Q HA -0.058 4.282 4.340 0.000 0.000 0.218 194 Q C 0.535 176.509 176.000 -0.044 0.000 1.079 194 Q CA 0.365 56.094 55.803 -0.123 0.000 1.008 194 Q CB 0.555 29.213 28.738 -0.132 0.000 1.267 194 Q HN 0.666 nan 8.270 nan 0.000 0.586 195 W N 0.528 121.826 121.300 -0.004 0.000 2.392 195 W HA -0.153 4.507 4.660 0.000 0.000 0.279 195 W C 1.579 178.071 176.519 -0.046 0.000 1.225 195 W CA 0.381 57.695 57.345 -0.051 0.000 1.233 195 W CB -0.115 29.283 29.460 -0.104 0.000 1.122 195 W HN 0.665 nan 8.180 nan 0.000 0.561 196 N N 0.405 119.192 118.700 0.146 0.000 2.370 196 N HA 0.114 4.854 4.740 0.000 0.000 0.198 196 N C 1.323 176.856 175.510 0.038 0.000 1.156 196 N CA 0.846 53.935 53.050 0.066 0.000 0.839 196 N CB -0.181 38.316 38.487 0.016 0.000 0.989 196 N HN 0.173 nan 8.380 nan 0.000 0.468 197 G N 0.030 108.860 108.800 0.050 0.000 2.179 197 G HA2 -0.345 3.615 3.960 0.000 0.000 0.260 197 G HA3 -0.345 3.615 3.960 0.000 0.000 0.260 197 G C -0.072 174.812 174.900 -0.027 0.000 0.977 197 G CA 0.501 45.616 45.100 0.025 0.000 0.641 197 G HN 0.711 nan 8.290 nan 0.000 0.533 198 K N 1.235 121.596 120.400 -0.064 0.000 2.144 198 K HA 0.447 4.767 4.320 0.000 0.000 0.270 198 K C 0.054 176.540 176.600 -0.191 0.000 1.005 198 K CA -0.475 55.748 56.287 -0.107 0.000 0.932 198 K CB 0.693 33.136 32.500 -0.096 0.000 1.021 198 K HN 0.365 nan 8.250 nan 0.000 0.462 199 E N 2.479 122.561 120.200 -0.198 0.000 2.331 199 E HA 0.150 4.500 4.350 0.000 0.000 0.272 199 E C -0.411 175.947 176.600 -0.403 0.000 1.036 199 E CA -0.226 56.002 56.400 -0.286 0.000 0.864 199 E CB 1.322 30.912 29.700 -0.183 0.000 1.035 199 E HN 0.380 nan 8.360 nan 0.000 0.408 200 R N 1.426 121.515 120.500 -0.684 0.000 2.626 200 R HA 0.236 4.576 4.340 0.000 0.000 0.274 200 R C -1.009 174.943 176.300 -0.579 0.000 1.031 200 R CA -0.481 55.221 56.100 -0.664 0.000 0.898 200 R CB 1.973 31.762 30.300 -0.850 0.000 1.222 200 R HN 0.533 nan 8.270 nan 0.000 0.455 201 S N 2.747 118.294 115.700 -0.254 0.000 2.580 201 S HA 0.154 4.624 4.470 0.000 0.000 0.274 201 S C 1.159 175.726 174.600 -0.054 0.000 1.329 201 S CA -0.600 57.540 58.200 -0.101 0.000 1.036 201 S CB 0.747 63.947 63.200 -0.001 0.000 0.919 201 S HN 0.673 nan 8.310 nan 0.000 0.515 202 I N 3.029 123.519 120.570 -0.134 0.000 2.617 202 I HA 0.060 4.230 4.170 0.000 0.000 0.256 202 I C -0.340 175.530 176.117 -0.411 0.000 1.167 202 I CA 0.275 61.430 61.300 -0.241 0.000 1.469 202 I CB 0.027 37.757 38.000 -0.451 0.000 1.098 202 I HN 0.642 nan 8.210 nan 0.000 0.436 203 Y N -0.146 120.066 120.300 -0.147 0.000 2.411 203 Y HA 0.029 4.579 4.550 0.000 0.000 0.333 203 Y C 0.928 176.643 175.900 -0.310 0.000 1.186 203 Y CA -0.150 57.843 58.100 -0.178 0.000 1.381 203 Y CB 0.103 38.539 38.460 -0.039 0.000 1.273 203 Y HN -0.047 nan 8.280 nan 0.000 0.546 204 F N -0.301 119.596 119.950 -0.089 0.000 2.186 204 F HA -0.109 4.419 4.527 0.000 0.000 0.299 204 F C 0.948 176.505 175.800 -0.405 0.000 1.090 204 F CA 1.276 58.979 58.000 -0.495 0.000 1.307 204 F CB 0.000 38.129 39.000 -1.452 0.000 1.019 204 F HN 0.375 nan 8.300 nan 0.000 0.489 205 Q N -0.718 119.056 119.800 -0.043 0.000 2.418 205 Q HA 0.329 4.669 4.340 0.000 0.000 0.282 205 Q C -2.584 173.513 176.000 0.162 0.000 1.044 205 Q CA -1.898 53.871 55.803 -0.057 0.000 0.813 205 Q CB 2.512 30.975 28.738 -0.459 0.000 1.428 205 Q HN -0.108 nan 8.270 nan 0.000 0.402 206 P HA 0.299 nan 4.420 nan 0.000 0.279 206 P C -2.135 175.312 177.300 0.246 0.000 1.276 206 P CA -1.295 61.873 63.100 0.115 0.000 0.801 206 P CB 0.595 32.340 31.700 0.076 0.000 1.127 207 P HA -0.162 nan 4.420 nan 0.000 0.216 207 P C 1.679 179.131 177.300 0.254 0.000 1.150 207 P CA 1.915 65.147 63.100 0.221 0.000 0.843 207 P CB -0.475 31.270 31.700 0.075 0.000 0.787 208 S N -1.879 113.920 115.700 0.165 0.000 2.537 208 S HA -0.141 4.329 4.470 0.000 0.000 0.240 208 S C 1.675 176.350 174.600 0.125 0.000 0.981 208 S CA 0.387 58.661 58.200 0.122 0.000 0.948 208 S CB -1.659 61.589 63.200 0.080 0.000 0.759 208 S HN 0.152 nan 8.310 nan 0.000 0.531 209 F N 1.269 121.203 119.950 -0.027 0.000 2.416 209 F HA 0.302 4.829 4.527 0.000 0.000 0.296 209 F C 0.315 175.969 175.800 -0.243 0.000 1.099 209 F CA -0.156 57.725 58.000 -0.198 0.000 1.427 209 F CB 0.167 38.933 39.000 -0.390 0.000 1.079 209 F HN 0.093 nan 8.300 nan 0.000 0.536 210 Y N -0.131 120.204 120.300 0.059 0.000 2.488 210 Y HA 0.497 5.048 4.550 0.000 0.000 0.325 210 Y C 0.172 176.044 175.900 -0.045 0.000 1.204 210 Y CA -1.136 56.947 58.100 -0.027 0.000 1.229 210 Y CB 1.112 39.648 38.460 0.125 0.000 1.274 210 Y HN -0.183 nan 8.280 nan 0.000 0.493 211 V N -2.009 117.984 119.914 0.132 0.000 3.126 211 V HA 0.639 4.759 4.120 0.000 0.000 0.314 211 V C -0.154 175.983 176.094 0.071 0.000 1.138 211 V CA -1.102 61.236 62.300 0.063 0.000 1.034 211 V CB 1.592 33.420 31.823 0.007 0.000 1.075 211 V HN 0.688 nan 8.190 nan 0.000 0.442 212 S N 0.438 116.165 115.700 0.044 0.000 2.576 212 S HA 0.540 5.010 4.470 0.000 0.000 0.276 212 S C 1.435 176.054 174.600 0.031 0.000 1.339 212 S CA 0.149 58.370 58.200 0.034 0.000 1.039 212 S CB 1.174 64.389 63.200 0.025 0.000 0.902 212 S HN 1.525 nan 8.310 nan 0.000 0.516 213 A N 3.450 126.286 122.820 0.028 0.000 1.940 213 A HA -0.137 4.183 4.320 0.000 0.000 0.219 213 A C 2.071 179.670 177.584 0.025 0.000 1.176 213 A CA 1.388 53.442 52.037 0.028 0.000 0.631 213 A CB -0.575 18.440 19.000 0.026 0.000 0.814 213 A HN 0.902 nan 8.150 nan 0.000 0.446 214 Q N -0.754 119.059 119.800 0.022 0.000 2.167 214 Q HA -0.162 4.179 4.340 0.000 0.000 0.202 214 Q C 1.053 177.064 176.000 0.018 0.000 0.970 214 Q CA 1.422 57.236 55.803 0.020 0.000 0.855 214 Q CB -0.159 28.589 28.738 0.017 0.000 0.911 214 Q HN 0.605 nan 8.270 nan 0.000 0.438 215 D N 0.383 120.793 120.400 0.018 0.000 2.249 215 D HA -0.080 4.560 4.640 0.000 0.000 0.205 215 D C 1.826 178.134 176.300 0.013 0.000 0.962 215 D CA 0.159 54.167 54.000 0.013 0.000 0.860 215 D CB 0.008 40.814 40.800 0.011 0.000 0.955 215 D HN 0.078 nan 8.370 nan 0.000 0.505 216 L N 1.601 122.834 121.223 0.017 0.000 1.997 216 L HA -0.160 4.180 4.340 0.000 0.000 0.216 216 L C -0.958 175.924 176.870 0.019 0.000 1.074 216 L CA 2.171 57.021 54.840 0.016 0.000 0.763 216 L CB -1.526 40.547 42.059 0.023 0.000 0.890 216 L HN 0.007 nan 8.230 nan 0.000 0.434 217 P HA -0.102 nan 4.420 nan 0.000 0.225 217 P C 0.057 177.370 177.300 0.021 0.000 1.148 217 P CA 1.562 64.680 63.100 0.030 0.000 0.779 217 P CB -0.315 31.406 31.700 0.035 0.000 0.780 218 N N -1.850 116.859 118.700 0.014 0.000 2.238 218 N HA 0.099 4.840 4.740 0.000 0.000 0.235 218 N C -0.157 175.355 175.510 0.003 0.000 1.209 218 N CA -0.245 52.810 53.050 0.009 0.000 0.879 218 N CB 0.597 39.089 38.487 0.008 0.000 1.136 218 N HN 0.138 nan 8.380 nan 0.000 0.517 219 I N 1.532 122.102 120.570 0.000 0.000 2.365 219 I HA 0.118 4.288 4.170 0.000 0.000 0.291 219 I C 0.293 176.404 176.117 -0.010 0.000 1.004 219 I CA -0.394 60.901 61.300 -0.007 0.000 1.311 219 I CB 1.417 39.408 38.000 -0.014 0.000 1.401 219 I HN 0.041 nan 8.210 nan 0.000 0.491 220 E N 6.623 126.816 120.200 -0.011 0.000 2.652 220 E HA -0.127 4.223 4.350 0.000 0.000 0.255 220 E C 0.126 176.715 176.600 -0.018 0.000 0.952 220 E CA 0.886 57.279 56.400 -0.011 0.000 0.947 220 E CB 0.083 29.776 29.700 -0.011 0.000 0.912 220 E HN 0.787 nan 8.360 nan 0.000 0.489 221 N N 1.889 120.580 118.700 -0.015 0.000 2.850 221 N HA -0.245 4.495 4.740 0.000 0.000 0.249 221 N C 0.497 175.990 175.510 -0.029 0.000 1.060 221 N CA -0.046 52.991 53.050 -0.021 0.000 0.825 221 N CB -1.252 37.218 38.487 -0.027 0.000 1.132 221 N HN 0.845 nan 8.380 nan 0.000 0.564 222 G N -0.578 108.210 108.800 -0.021 0.000 2.598 222 G HA2 0.223 4.183 3.960 0.000 0.000 0.269 222 G HA3 0.223 4.183 3.960 0.000 0.000 0.269 222 G C 0.255 175.119 174.900 -0.061 0.000 1.289 222 G CA 0.028 45.115 45.100 -0.022 0.000 0.926 222 G HN 1.348 nan 8.290 nan 0.000 0.567 223 G N -3.885 104.870 108.800 -0.074 0.000 2.343 223 G HA2 0.553 4.513 3.960 0.000 0.000 0.289 223 G HA3 0.553 4.513 3.960 0.000 0.000 0.289 223 G C -1.374 173.454 174.900 -0.121 0.000 1.295 223 G CA 0.431 45.443 45.100 -0.147 0.000 0.869 223 G HN 1.831 nan 8.290 nan 0.000 0.522 224 V N 1.054 120.859 119.914 -0.181 0.000 2.357 224 V HA 0.716 4.836 4.120 0.000 0.000 0.284 224 V C 0.793 176.947 176.094 0.099 0.000 1.018 224 V CA 0.024 62.307 62.300 -0.029 0.000 0.841 224 V CB 0.662 32.485 31.823 0.000 0.000 0.991 224 V HN 1.538 nan 8.190 nan 0.000 0.437 225 A N 4.820 127.704 122.820 0.107 0.000 2.279 225 A HA 0.910 5.230 4.320 0.000 0.000 0.303 225 A C -0.235 177.424 177.584 0.126 0.000 1.108 225 A CA -0.497 51.612 52.037 0.120 0.000 0.830 225 A CB 1.484 20.521 19.000 0.062 0.000 1.106 225 A HN 1.466 nan 8.150 nan 0.000 0.493 226 V N -0.278 119.670 119.914 0.057 0.000 2.638 226 V HA 0.705 4.825 4.120 0.000 0.000 0.306 226 V C -0.927 175.153 176.094 -0.024 0.000 1.052 226 V CA -0.706 61.574 62.300 -0.033 0.000 0.885 226 V CB 1.266 32.944 31.823 -0.242 0.000 0.999 226 V HN 0.926 nan 8.190 nan 0.000 0.424 227 L N 5.603 126.821 121.223 -0.007 0.000 2.387 227 L HA 0.686 5.026 4.340 0.000 0.000 0.259 227 L C 0.537 177.408 176.870 0.001 0.000 1.050 227 L CA 0.323 55.164 54.840 0.002 0.000 0.922 227 L CB 0.863 42.931 42.059 0.016 0.000 1.280 227 L HN 1.087 nan 8.230 nan 0.000 0.449 228 T N 0.063 114.612 114.554 -0.007 0.000 2.874 228 T HA 0.635 4.985 4.350 0.000 0.000 0.281 228 T C 0.960 175.670 174.700 0.017 0.000 0.994 228 T CA -0.020 62.084 62.100 0.007 0.000 1.015 228 T CB 1.480 70.352 68.868 0.005 0.000 1.028 228 T HN 1.358 nan 8.240 nan 0.000 0.523 229 G N 0.790 109.606 108.800 0.027 0.000 2.132 229 G HA2 -0.138 3.822 3.960 0.000 0.000 0.234 229 G HA3 -0.138 3.822 3.960 0.000 0.000 0.234 229 G C -0.152 174.765 174.900 0.028 0.000 0.989 229 G CA -0.085 45.032 45.100 0.028 0.000 0.676 229 G HN 0.810 nan 8.290 nan 0.000 0.522 230 K N -0.242 120.176 120.400 0.030 0.000 2.498 230 K HA 0.535 4.855 4.320 0.000 0.000 0.254 230 K C -0.657 175.965 176.600 0.036 0.000 0.933 230 K CA -0.810 55.496 56.287 0.032 0.000 0.806 230 K CB 2.346 34.864 32.500 0.030 0.000 1.301 230 K HN 0.205 nan 8.250 nan 0.000 0.432 231 K N 1.841 122.265 120.400 0.041 0.000 2.292 231 K HA 0.362 4.682 4.320 0.000 0.000 0.257 231 K C -0.667 175.964 176.600 0.051 0.000 0.940 231 K CA -0.708 55.606 56.287 0.045 0.000 0.811 231 K CB 1.649 34.177 32.500 0.048 0.000 1.120 231 K HN 0.267 nan 8.250 nan 0.000 0.428 232 V N 5.124 125.069 119.914 0.052 0.000 2.508 232 V HA 0.026 4.146 4.120 0.000 0.000 0.281 232 V C 0.950 177.090 176.094 0.077 0.000 1.041 232 V CA -0.061 62.276 62.300 0.063 0.000 1.016 232 V CB 1.051 32.902 31.823 0.047 0.000 0.984 232 V HN 0.737 nan 8.190 nan 0.000 0.478 233 V N 1.068 121.043 119.914 0.100 0.000 3.432 233 V HA 0.436 4.556 4.120 0.000 0.000 0.298 233 V C 0.359 176.546 176.094 0.155 0.000 1.464 233 V CA 0.170 62.535 62.300 0.108 0.000 1.046 233 V CB -0.118 31.763 31.823 0.097 0.000 0.887 233 V HN 0.879 nan 8.190 nan 0.000 0.441 234 H N 0.609 119.713 119.070 0.058 0.000 2.947 234 H HA 0.664 5.220 4.556 0.000 0.000 0.354 234 H C -2.162 173.212 175.328 0.076 0.000 1.085 234 H CA -0.581 55.505 56.048 0.062 0.000 1.253 234 H CB 2.540 32.334 29.762 0.055 0.000 1.757 234 H HN 0.268 nan 8.280 nan 0.000 0.523 235 L N 5.299 126.463 121.223 -0.098 0.000 2.343 235 L HA 0.318 4.658 4.340 0.000 0.000 0.278 235 L C -0.894 175.995 176.870 0.030 0.000 0.996 235 L CA -0.379 54.497 54.840 0.059 0.000 0.831 235 L CB 1.271 43.338 42.059 0.013 0.000 1.232 235 L HN 0.569 nan 8.230 nan 0.000 0.413 236 D N 4.093 124.629 120.400 0.227 0.000 2.467 236 D HA 0.182 4.822 4.640 0.000 0.000 0.220 236 D C 0.964 177.354 176.300 0.150 0.000 1.103 236 D CA -0.190 53.926 54.000 0.194 0.000 0.886 236 D CB 1.310 42.252 40.800 0.237 0.000 1.025 236 D HN 0.387 nan 8.370 nan 0.000 0.514 237 V N 5.093 125.075 119.914 0.114 0.000 2.255 237 V HA -0.234 3.886 4.120 0.000 0.000 0.247 237 V C 2.502 178.630 176.094 0.057 0.000 1.051 237 V CA 1.623 63.993 62.300 0.117 0.000 1.018 237 V CB -0.348 31.513 31.823 0.064 0.000 0.641 237 V HN 0.548 nan 8.190 nan 0.000 0.445 238 R N 0.192 120.709 120.500 0.029 0.000 2.115 238 R HA -0.059 4.281 4.340 0.000 0.000 0.230 238 R C 2.213 178.494 176.300 -0.031 0.000 1.111 238 R CA 1.312 57.412 56.100 -0.000 0.000 0.976 238 R CB -0.620 29.684 30.300 0.005 0.000 0.870 238 R HN 0.581 nan 8.270 nan 0.000 0.445 239 G N 0.437 109.220 108.800 -0.028 0.000 2.920 239 G HA2 -0.108 3.852 3.960 0.000 0.000 0.208 239 G HA3 -0.108 3.852 3.960 0.000 0.000 0.208 239 G C -0.165 174.629 174.900 -0.177 0.000 1.159 239 G CA -0.265 44.795 45.100 -0.067 0.000 0.784 239 G HN 0.331 nan 8.290 nan 0.000 0.535 240 N N -1.179 117.356 118.700 -0.275 0.000 2.725 240 N HA -0.168 4.572 4.740 0.000 0.000 0.251 240 N C -0.023 174.896 175.510 -0.985 0.000 1.031 240 N CA 1.325 53.864 53.050 -0.852 0.000 0.720 240 N CB -1.010 37.025 38.487 -0.754 0.000 0.930 240 N HN 0.724 nan 8.380 nan 0.000 0.543 241 M N -3.059 116.375 119.600 -0.277 0.000 2.622 241 M HA 0.793 5.273 4.480 0.000 0.000 0.276 241 M C -1.069 175.433 176.300 0.336 0.000 1.265 241 M CA -1.119 54.206 55.300 0.043 0.000 0.850 241 M CB 1.979 34.581 32.600 0.004 0.000 1.720 241 M HN -0.012 nan 8.290 nan 0.000 0.465 242 V N -1.127 118.971 119.914 0.306 0.000 2.962 242 V HA 0.799 4.919 4.120 0.000 0.000 0.313 242 V C -1.143 175.051 176.094 0.168 0.000 1.099 242 V CA -0.817 61.638 62.300 0.259 0.000 0.971 242 V CB 2.041 33.988 31.823 0.207 0.000 1.028 242 V HN 0.990 nan 8.190 nan 0.000 0.430 243 K N 3.320 123.816 120.400 0.161 0.000 2.164 243 K HA 0.724 5.044 4.320 0.000 0.000 0.258 243 K C -0.948 175.708 176.600 0.093 0.000 0.951 243 K CA -0.635 55.705 56.287 0.087 0.000 0.844 243 K CB 2.221 34.734 32.500 0.022 0.000 1.099 243 K HN 0.635 nan 8.250 nan 0.000 0.435 244 L N 2.301 123.563 121.223 0.065 0.000 2.454 244 L HA 0.141 4.482 4.340 0.000 0.000 0.256 244 L C 1.776 178.677 176.870 0.052 0.000 1.136 244 L CA -0.747 54.129 54.840 0.059 0.000 0.804 244 L CB 0.494 42.581 42.059 0.047 0.000 1.181 244 L HN 0.808 nan 8.230 nan 0.000 0.469 245 N N 1.038 119.768 118.700 0.050 0.000 2.348 245 N HA -0.218 4.522 4.740 0.000 0.000 0.185 245 N C 0.636 176.167 175.510 0.034 0.000 1.019 245 N CA 1.426 54.502 53.050 0.044 0.000 0.880 245 N CB -0.496 38.016 38.487 0.041 0.000 0.965 245 N HN 0.745 nan 8.380 nan 0.000 0.437 246 D N -1.850 118.568 120.400 0.031 0.000 2.342 246 D HA 0.188 4.828 4.640 0.000 0.000 0.221 246 D C 1.276 177.588 176.300 0.020 0.000 1.101 246 D CA 0.361 54.376 54.000 0.024 0.000 0.837 246 D CB -0.183 40.631 40.800 0.023 0.000 0.938 246 D HN 0.370 nan 8.370 nan 0.000 0.508 247 G N 0.469 109.281 108.800 0.021 0.000 2.268 247 G HA2 -0.319 3.642 3.960 0.000 0.000 0.240 247 G HA3 -0.319 3.642 3.960 0.000 0.000 0.240 247 G C 0.533 175.439 174.900 0.011 0.000 1.010 247 G CA 0.400 45.507 45.100 0.011 0.000 0.618 247 G HN 0.869 nan 8.290 nan 0.000 0.516 248 S N 0.079 115.790 115.700 0.019 0.000 2.576 248 S HA 0.575 5.045 4.470 0.000 0.000 0.272 248 S C -0.027 174.590 174.600 0.028 0.000 1.352 248 S CA 0.411 58.624 58.200 0.022 0.000 1.021 248 S CB 1.459 64.675 63.200 0.026 0.000 0.887 248 S HN 0.635 nan 8.310 nan 0.000 0.542 249 Q N 0.521 120.339 119.800 0.030 0.000 2.365 249 Q HA 0.651 4.992 4.340 0.000 0.000 0.269 249 Q C -1.130 174.904 176.000 0.058 0.000 1.061 249 Q CA -0.522 55.305 55.803 0.040 0.000 0.816 249 Q CB 2.071 30.821 28.738 0.021 0.000 1.325 249 Q HN 0.726 nan 8.270 nan 0.000 0.446 250 I N 1.502 122.124 120.570 0.086 0.000 2.499 250 I HA 0.313 4.483 4.170 0.000 0.000 0.288 250 I C 0.073 176.270 176.117 0.133 0.000 1.048 250 I CA -0.741 60.619 61.300 0.099 0.000 1.062 250 I CB 2.166 40.225 38.000 0.099 0.000 1.238 250 I HN 0.609 nan 8.210 nan 0.000 0.426 251 T N 2.508 117.122 114.554 0.099 0.000 2.918 251 T HA 0.773 5.123 4.350 0.000 0.000 0.283 251 T C -0.503 174.200 174.700 0.005 0.000 1.001 251 T CA -0.450 61.671 62.100 0.036 0.000 1.041 251 T CB 1.459 70.388 68.868 0.103 0.000 1.028 251 T HN 0.415 nan 8.240 nan 0.000 0.511 252 F N -1.448 118.478 119.950 -0.040 0.000 2.664 252 F HA 0.745 5.272 4.527 0.000 0.000 0.317 252 F C 0.571 176.335 175.800 -0.061 0.000 1.108 252 F CA -1.383 56.508 58.000 -0.182 0.000 0.957 252 F CB 1.300 40.241 39.000 -0.098 0.000 1.365 252 F HN 0.559 nan 8.300 nan 0.000 0.475 253 E N -0.297 119.975 120.200 0.120 0.000 2.206 253 E HA 0.224 4.575 4.350 0.000 0.000 0.195 253 E C -0.564 176.195 176.600 0.264 0.000 0.935 253 E CA 0.366 56.816 56.400 0.082 0.000 0.875 253 E CB 0.398 30.041 29.700 -0.095 0.000 0.841 253 E HN 0.259 nan 8.360 nan 0.000 0.477 254 K N 0.360 120.916 120.400 0.260 0.000 2.482 254 K HA 0.366 4.686 4.320 0.000 0.000 0.251 254 K C -1.355 175.343 176.600 0.163 0.000 0.936 254 K CA -0.595 55.889 56.287 0.328 0.000 0.791 254 K CB 2.075 34.703 32.500 0.212 0.000 1.213 254 K HN 0.034 nan 8.250 nan 0.000 0.428 255 C N 3.839 123.171 119.300 0.054 0.000 2.498 255 C HA 0.694 5.155 4.460 0.000 0.000 0.316 255 C C -1.080 173.904 174.990 -0.011 0.000 1.209 255 C CA -0.853 57.977 59.018 -0.314 0.000 1.518 255 C CB 0.360 27.415 27.740 -1.142 0.000 2.147 255 C HN 0.810 nan 8.230 nan 0.000 0.483 256 L N 7.047 128.224 121.223 -0.075 0.000 2.333 256 L HA 0.708 5.049 4.340 0.000 0.000 0.280 256 L C -0.735 176.067 176.870 -0.114 0.000 1.004 256 L CA -0.207 54.614 54.840 -0.031 0.000 0.820 256 L CB 1.235 43.265 42.059 -0.049 0.000 1.247 256 L HN 0.681 nan 8.230 nan 0.000 0.416 257 I N 5.664 126.145 120.570 -0.148 0.000 2.304 257 I HA 0.534 4.705 4.170 0.000 0.000 0.291 257 I C 0.290 176.335 176.117 -0.119 0.000 1.018 257 I CA -0.186 60.994 61.300 -0.200 0.000 1.260 257 I CB 1.495 39.224 38.000 -0.453 0.000 1.390 257 I HN 0.836 nan 8.210 nan 0.000 0.475 258 A N 3.664 126.448 122.820 -0.060 0.000 3.308 258 A HA 0.280 4.600 4.320 0.000 0.000 0.275 258 A C 0.822 178.419 177.584 0.021 0.000 0.950 258 A CA -0.384 51.642 52.037 -0.019 0.000 0.987 258 A CB -0.338 18.637 19.000 -0.041 0.000 1.146 258 A HN 0.739 nan 8.150 nan 0.000 0.488 259 T N -3.035 111.556 114.554 0.062 0.000 3.129 259 T HA 0.420 4.770 4.350 0.000 0.000 0.251 259 T C 1.482 176.237 174.700 0.092 0.000 1.117 259 T CA 1.032 63.182 62.100 0.084 0.000 1.034 259 T CB -0.169 68.779 68.868 0.132 0.000 0.968 259 T HN 1.906 nan 8.240 nan 0.000 0.526 260 G N 1.060 109.918 108.800 0.096 0.000 2.611 260 G HA2 0.168 4.128 3.960 0.000 0.000 0.301 260 G HA3 0.168 4.128 3.960 0.000 0.000 0.301 260 G C 0.185 175.142 174.900 0.096 0.000 1.233 260 G CA -0.025 45.129 45.100 0.091 0.000 0.993 260 G HN 1.486 nan 8.290 nan 0.000 0.553 261 G N -2.849 105.998 108.800 0.077 0.000 2.649 261 G HA2 0.710 4.671 3.960 0.000 0.000 0.290 261 G HA3 0.710 4.671 3.960 0.000 0.000 0.290 261 G C -1.047 173.889 174.900 0.060 0.000 1.426 261 G CA 0.770 45.910 45.100 0.067 0.000 0.794 261 G HN 1.158 nan 8.290 nan 0.000 0.483 262 T N 2.380 116.965 114.554 0.051 0.000 2.823 262 T HA 0.616 4.967 4.350 0.000 0.000 0.279 262 T C -2.571 172.160 174.700 0.053 0.000 0.998 262 T CA -0.865 61.265 62.100 0.050 0.000 0.994 262 T CB 1.992 70.885 68.868 0.041 0.000 0.960 262 T HN 0.248 nan 8.240 nan 0.000 0.448 263 P HA 0.179 nan 4.420 nan 0.000 0.268 263 P C -0.062 177.272 177.300 0.055 0.000 1.205 263 P CA -0.282 62.861 63.100 0.071 0.000 0.771 263 P CB 0.508 32.264 31.700 0.094 0.000 0.858 264 R N 1.335 121.864 120.500 0.049 0.000 2.594 264 R HA 0.358 4.698 4.340 0.000 0.000 0.272 264 R C 0.626 176.949 176.300 0.039 0.000 1.074 264 R CA -0.074 56.047 56.100 0.036 0.000 1.105 264 R CB 0.371 30.688 30.300 0.028 0.000 1.008 264 R HN 0.573 nan 8.270 nan 0.000 0.472 265 S N 1.822 117.540 115.700 0.030 0.000 2.681 265 S HA 0.383 4.853 4.470 0.000 0.000 0.299 265 S C -0.369 174.242 174.600 0.020 0.000 1.113 265 S CA -1.031 57.186 58.200 0.028 0.000 1.013 265 S CB 1.216 64.430 63.200 0.025 0.000 1.076 265 S HN 0.235 nan 8.310 nan 0.000 0.534 266 L N 2.488 123.721 121.223 0.017 0.000 2.380 266 L HA 0.341 4.681 4.340 0.000 0.000 0.273 266 L C 1.728 178.602 176.870 0.006 0.000 1.138 266 L CA 0.394 55.241 54.840 0.011 0.000 0.832 266 L CB 1.051 43.115 42.059 0.009 0.000 1.124 266 L HN 1.070 nan 8.230 nan 0.000 0.454 267 S N 3.183 118.885 115.700 0.004 0.000 2.383 267 S HA -0.158 4.312 4.470 0.000 0.000 0.229 267 S C 1.882 176.482 174.600 -0.001 0.000 1.030 267 S CA 1.458 59.659 58.200 0.001 0.000 1.002 267 S CB 0.049 63.249 63.200 -0.000 0.000 0.829 267 S HN 0.800 nan 8.310 nan 0.000 0.467 268 A N 0.819 123.638 122.820 -0.002 0.000 1.972 268 A HA 0.049 4.369 4.320 0.000 0.000 0.219 268 A C 2.081 179.661 177.584 -0.006 0.000 1.169 268 A CA 1.274 53.308 52.037 -0.005 0.000 0.635 268 A CB -0.572 18.424 19.000 -0.006 0.000 0.810 268 A HN 0.636 nan 8.150 nan 0.000 0.446 269 I N -0.556 120.011 120.570 -0.005 0.000 2.406 269 I HA -0.148 4.023 4.170 0.000 0.000 0.249 269 I C 1.656 177.771 176.117 -0.003 0.000 1.122 269 I CA 0.973 62.269 61.300 -0.007 0.000 1.431 269 I CB -0.293 37.702 38.000 -0.009 0.000 1.087 269 I HN 0.193 nan 8.210 nan 0.000 0.424 270 D N 0.936 121.336 120.400 0.000 0.000 2.123 270 D HA -0.166 4.474 4.640 0.000 0.000 0.196 270 D C 2.255 178.555 176.300 0.001 0.000 0.992 270 D CA 1.188 55.189 54.000 0.002 0.000 0.833 270 D CB -0.207 40.595 40.800 0.003 0.000 0.954 270 D HN 0.213 nan 8.370 nan 0.000 0.455 271 R N 0.289 120.788 120.500 -0.001 0.000 2.189 271 R HA 0.139 4.479 4.340 0.000 0.000 0.218 271 R C 0.987 177.286 176.300 -0.002 0.000 1.074 271 R CA 0.336 56.435 56.100 -0.002 0.000 0.991 271 R CB 0.063 30.362 30.300 -0.003 0.000 0.883 271 R HN 0.066 nan 8.270 nan 0.000 0.457 272 A N 0.256 123.074 122.820 -0.003 0.000 2.280 272 A HA 0.489 4.809 4.320 0.000 0.000 0.268 272 A C 0.576 178.159 177.584 -0.002 0.000 1.111 272 A CA -0.053 51.982 52.037 -0.004 0.000 0.814 272 A CB 0.107 19.102 19.000 -0.007 0.000 1.093 272 A HN 0.293 nan 8.150 nan 0.000 0.498 273 G N -1.961 106.838 108.800 -0.002 0.000 2.621 273 G HA2 0.477 4.437 3.960 0.000 0.000 0.271 273 G HA3 0.477 4.437 3.960 0.000 0.000 0.271 273 G C 1.154 176.055 174.900 0.002 0.000 1.236 273 G CA 0.291 45.391 45.100 0.000 0.000 0.958 273 G HN 1.352 nan 8.290 nan 0.000 0.512 274 A N -0.630 122.192 122.820 0.004 0.000 1.869 274 A HA -0.124 4.196 4.320 0.000 0.000 0.218 274 A C 2.125 179.714 177.584 0.007 0.000 1.203 274 A CA 2.191 54.232 52.037 0.007 0.000 0.638 274 A CB -0.760 18.245 19.000 0.008 0.000 0.831 274 A HN 0.710 nan 8.150 nan 0.000 0.450 275 E N -0.496 119.708 120.200 0.007 0.000 2.049 275 E HA -0.185 4.165 4.350 0.000 0.000 0.198 275 E C 2.167 178.769 176.600 0.003 0.000 1.007 275 E CA 1.741 58.146 56.400 0.008 0.000 0.809 275 E CB -0.511 29.194 29.700 0.009 0.000 0.749 275 E HN 0.414 nan 8.360 nan 0.000 0.450 276 V N 1.667 121.578 119.914 -0.004 0.000 2.282 276 V HA -0.286 3.834 4.120 0.000 0.000 0.249 276 V C 2.089 178.170 176.094 -0.023 0.000 1.057 276 V CA 2.237 64.527 62.300 -0.017 0.000 1.032 276 V CB -0.513 31.300 31.823 -0.017 0.000 0.645 276 V HN 0.268 nan 8.190 nan 0.000 0.447 277 K N 1.299 121.693 120.400 -0.010 0.000 2.360 277 K HA -0.081 4.239 4.320 0.000 0.000 0.201 277 K C 1.892 178.492 176.600 0.001 0.000 1.046 277 K CA 1.471 57.755 56.287 -0.006 0.000 0.945 277 K CB -0.260 32.242 32.500 0.003 0.000 0.750 277 K HN 0.662 nan 8.250 nan 0.000 0.464 278 S N -0.354 115.351 115.700 0.008 0.000 2.540 278 S HA 0.184 4.654 4.470 0.000 0.000 0.222 278 S C 1.458 176.085 174.600 0.046 0.000 1.008 278 S CA -0.622 57.597 58.200 0.032 0.000 0.939 278 S CB 0.327 63.550 63.200 0.037 0.000 0.865 278 S HN 0.092 nan 8.310 nan 0.000 0.499 279 R N 2.333 122.829 120.500 -0.007 0.000 2.317 279 R HA 0.163 4.503 4.340 0.000 0.000 0.208 279 R C 0.419 176.467 176.300 -0.420 0.000 0.914 279 R CA 0.652 56.725 56.100 -0.045 0.000 1.060 279 R CB 0.222 30.503 30.300 -0.031 0.000 1.015 279 R HN 0.665 nan 8.270 nan 0.000 0.498 280 T N -1.267 113.127 114.554 -0.265 0.000 2.893 280 T HA 0.481 4.831 4.350 0.000 0.000 0.291 280 T C -0.226 174.430 174.700 -0.073 0.000 1.028 280 T CA -0.611 61.295 62.100 -0.323 0.000 0.995 280 T CB 2.718 71.489 68.868 -0.162 0.000 1.051 280 T HN 0.050 nan 8.240 nan 0.000 0.470 281 T N 0.954 115.526 114.554 0.029 0.000 2.893 281 T HA 0.625 4.975 4.350 0.000 0.000 0.293 281 T C -0.506 174.297 174.700 0.171 0.000 1.027 281 T CA -1.029 61.169 62.100 0.163 0.000 0.988 281 T CB 1.164 70.219 68.868 0.312 0.000 1.043 281 T HN 0.686 nan 8.240 nan 0.000 0.461 282 L N 2.890 124.201 121.223 0.146 0.000 2.272 282 L HA 0.442 4.782 4.340 0.000 0.000 0.284 282 L C -0.504 176.473 176.870 0.178 0.000 1.045 282 L CA -0.887 54.044 54.840 0.152 0.000 0.842 282 L CB 0.298 42.416 42.059 0.098 0.000 1.224 282 L HN 0.651 nan 8.230 nan 0.000 0.430 283 F N 4.061 124.082 119.950 0.118 0.000 2.502 283 F HA 0.174 4.701 4.527 0.000 0.000 0.371 283 F C 1.079 176.963 175.800 0.140 0.000 1.083 283 F CA 0.547 58.635 58.000 0.146 0.000 1.174 283 F CB 0.321 39.416 39.000 0.158 0.000 1.096 283 F HN 0.507 nan 8.300 nan 0.000 0.545 284 R N 3.261 123.615 120.500 -0.242 0.000 2.700 284 R HA 0.115 4.455 4.340 0.000 0.000 0.151 284 R C -0.733 175.523 176.300 -0.074 0.000 0.918 284 R CA -0.055 56.020 56.100 -0.042 0.000 1.891 284 R CB 0.167 30.490 30.300 0.038 0.000 1.667 284 R HN 0.560 nan 8.270 nan 0.000 0.523 285 K N -0.258 120.047 120.400 -0.158 0.000 2.352 285 K HA 0.347 4.667 4.320 0.000 0.000 0.240 285 K C 0.621 177.181 176.600 -0.068 0.000 1.017 285 K CA -0.747 55.555 56.287 0.025 0.000 0.851 285 K CB 1.352 33.917 32.500 0.108 0.000 1.261 285 K HN -0.078 nan 8.250 nan 0.000 0.451 286 I N 1.129 121.665 120.570 -0.058 0.000 2.143 286 I HA -0.323 3.847 4.170 0.000 0.000 0.245 286 I C 2.231 178.334 176.117 -0.023 0.000 1.068 286 I CA 2.315 63.525 61.300 -0.151 0.000 1.326 286 I CB -0.622 37.158 38.000 -0.366 0.000 1.028 286 I HN 1.048 nan 8.210 nan 0.000 0.412 287 G N -0.118 108.665 108.800 -0.029 0.000 2.448 287 G HA2 -0.216 3.744 3.960 0.000 0.000 0.219 287 G HA3 -0.216 3.744 3.960 0.000 0.000 0.219 287 G C 1.232 176.111 174.900 -0.035 0.000 1.127 287 G CA 0.852 45.940 45.100 -0.020 0.000 0.766 287 G HN 0.351 nan 8.290 nan 0.000 0.552 288 D N 0.094 120.435 120.400 -0.098 0.000 2.149 288 D HA -0.079 4.561 4.640 0.000 0.000 0.201 288 D C 1.946 178.242 176.300 -0.008 0.000 0.972 288 D CA 0.431 54.343 54.000 -0.146 0.000 0.835 288 D CB -0.272 40.250 40.800 -0.463 0.000 0.966 288 D HN 0.369 nan 8.370 nan 0.000 0.476 289 F N 2.293 122.152 119.950 -0.151 0.000 2.113 289 F HA -0.062 4.465 4.527 0.000 0.000 0.297 289 F C 2.293 178.097 175.800 0.007 0.000 1.103 289 F CA 1.232 59.318 58.000 0.144 0.000 1.248 289 F CB -0.094 38.925 39.000 0.031 0.000 0.999 289 F HN -0.266 nan 8.300 nan 0.000 0.475 290 R N 0.307 120.641 120.500 -0.276 0.000 2.081 290 R HA -0.109 4.231 4.340 0.000 0.000 0.235 290 R C 2.496 178.622 176.300 -0.290 0.000 1.131 290 R CA 1.316 57.160 56.100 -0.427 0.000 0.960 290 R CB -0.833 29.365 30.300 -0.170 0.000 0.856 290 R HN 0.436 nan 8.270 nan 0.000 0.436 291 A N 0.890 123.632 122.820 -0.130 0.000 1.898 291 A HA -0.130 4.190 4.320 0.000 0.000 0.216 291 A C 2.031 179.574 177.584 -0.068 0.000 1.181 291 A CA 0.944 52.937 52.037 -0.074 0.000 0.620 291 A CB -0.400 18.596 19.000 -0.007 0.000 0.819 291 A HN 0.220 nan 8.150 nan 0.000 0.442 292 L N 0.338 121.589 121.223 0.047 0.000 2.093 292 L HA -0.101 4.239 4.340 0.000 0.000 0.208 292 L C 2.246 179.206 176.870 0.151 0.000 1.085 292 L CA 2.598 57.532 54.840 0.157 0.000 0.755 292 L CB -0.504 41.850 42.059 0.491 0.000 0.904 292 L HN 0.594 nan 8.230 nan 0.000 0.435 293 E N -0.525 119.619 120.200 -0.093 0.000 2.358 293 E HA -0.211 4.139 4.350 0.000 0.000 0.195 293 E C 2.047 178.546 176.600 -0.168 0.000 1.010 293 E CA 1.250 57.524 56.400 -0.210 0.000 0.856 293 E CB -0.484 28.706 29.700 -0.851 0.000 0.795 293 E HN 0.496 nan 8.360 nan 0.000 0.504 294 K N 0.528 120.818 120.400 -0.183 0.000 2.062 294 K HA -0.022 4.298 4.320 0.000 0.000 0.205 294 K C 2.054 178.602 176.600 -0.087 0.000 1.051 294 K CA 1.294 57.504 56.287 -0.129 0.000 0.941 294 K CB -0.179 32.247 32.500 -0.123 0.000 0.719 294 K HN 0.235 nan 8.250 nan 0.000 0.440 295 I N 1.712 122.219 120.570 -0.104 0.000 2.208 295 I HA -0.320 3.850 4.170 0.000 0.000 0.245 295 I C 2.329 178.415 176.117 -0.052 0.000 1.097 295 I CA 1.647 62.875 61.300 -0.120 0.000 1.363 295 I CB -0.327 37.496 38.000 -0.294 0.000 1.051 295 I HN 0.294 nan 8.210 nan 0.000 0.413 296 S N 0.685 116.388 115.700 0.004 0.000 2.440 296 S HA -0.191 4.279 4.470 0.000 0.000 0.238 296 S C 1.923 176.536 174.600 0.022 0.000 1.010 296 S CA 0.962 59.191 58.200 0.047 0.000 0.972 296 S CB -0.483 62.810 63.200 0.156 0.000 0.774 296 S HN 0.457 nan 8.310 nan 0.000 0.501 297 R N 0.327 120.827 120.500 -0.001 0.000 2.317 297 R HA 0.290 4.630 4.340 0.000 0.000 0.208 297 R C 1.533 177.826 176.300 -0.012 0.000 0.914 297 R CA 0.536 56.632 56.100 -0.007 0.000 1.060 297 R CB 0.118 30.405 30.300 -0.021 0.000 1.015 297 R HN 0.581 nan 8.270 nan 0.000 0.498 298 E N -0.371 119.820 120.200 -0.015 0.000 2.414 298 E HA 0.018 4.368 4.350 0.000 0.000 0.208 298 E C 0.357 176.955 176.600 -0.004 0.000 0.820 298 E CA 0.060 56.452 56.400 -0.013 0.000 1.143 298 E CB 0.982 30.669 29.700 -0.021 0.000 1.150 298 E HN 0.041 nan 8.360 nan 0.000 0.540 299 V N -0.237 119.677 119.914 -0.001 0.000 3.109 299 V HA 0.377 4.498 4.120 0.000 0.000 0.317 299 V C 0.706 176.808 176.094 0.013 0.000 1.074 299 V CA -0.644 61.663 62.300 0.012 0.000 1.033 299 V CB 1.905 33.745 31.823 0.028 0.000 1.111 299 V HN -0.083 nan 8.190 nan 0.000 0.458 300 K N 0.533 120.942 120.400 0.016 0.000 2.323 300 K HA 0.330 4.650 4.320 0.000 0.000 0.197 300 K C 0.688 177.295 176.600 0.012 0.000 1.043 300 K CA 0.911 57.205 56.287 0.011 0.000 0.997 300 K CB 0.194 32.699 32.500 0.008 0.000 0.807 300 K HN 0.935 nan 8.250 nan 0.000 0.497 301 S N -0.378 115.335 115.700 0.021 0.000 2.546 301 S HA 0.577 5.047 4.470 0.000 0.000 0.272 301 S C -1.541 173.084 174.600 0.042 0.000 1.140 301 S CA -0.884 57.328 58.200 0.020 0.000 0.920 301 S CB 0.646 63.854 63.200 0.013 0.000 1.083 301 S HN 0.117 nan 8.310 nan 0.000 0.476 302 I N 3.000 123.590 120.570 0.034 0.000 2.533 302 I HA 0.358 4.528 4.170 0.000 0.000 0.290 302 I C -0.467 175.666 176.117 0.026 0.000 1.056 302 I CA -0.526 60.810 61.300 0.061 0.000 1.057 302 I CB 2.629 40.666 38.000 0.061 0.000 1.240 302 I HN 0.473 nan 8.210 nan 0.000 0.423 303 T N 5.189 119.760 114.554 0.029 0.000 2.794 303 T HA 0.457 4.807 4.350 0.000 0.000 0.280 303 T C -0.272 174.434 174.700 0.011 0.000 0.987 303 T CA -0.418 61.684 62.100 0.004 0.000 0.993 303 T CB 1.734 70.597 68.868 -0.009 0.000 0.939 303 T HN 0.158 nan 8.240 nan 0.000 0.449 304 V N 5.249 125.164 119.914 0.002 0.000 2.394 304 V HA 0.452 4.573 4.120 0.000 0.000 0.282 304 V C -0.017 176.096 176.094 0.033 0.000 1.031 304 V CA -0.709 61.597 62.300 0.010 0.000 0.881 304 V CB 1.182 32.999 31.823 -0.010 0.000 0.982 304 V HN 0.774 nan 8.190 nan 0.000 0.451 305 I N 4.556 125.151 120.570 0.041 0.000 2.355 305 I HA 0.751 4.921 4.170 0.000 0.000 0.288 305 I C 0.508 176.673 176.117 0.080 0.000 0.999 305 I CA -0.118 61.216 61.300 0.057 0.000 1.163 305 I CB 1.467 39.487 38.000 0.033 0.000 1.316 305 I HN 0.852 nan 8.210 nan 0.000 0.454 306 G N 3.398 112.280 108.800 0.137 0.000 2.634 306 G HA2 0.092 4.053 3.960 0.000 0.000 0.568 306 G HA3 0.092 4.053 3.960 0.000 0.000 0.568 306 G C -0.009 174.932 174.900 0.068 0.000 1.495 306 G CA -0.397 44.759 45.100 0.094 0.000 0.903 306 G HN 0.840 nan 8.290 nan 0.000 0.646 307 G N 0.138 108.849 108.800 -0.148 0.000 3.277 307 G HA2 0.594 4.554 3.960 0.000 0.000 0.243 307 G HA3 0.594 4.554 3.960 0.000 0.000 0.243 307 G C 1.020 175.583 174.900 -0.562 0.000 1.107 307 G CA 1.089 45.774 45.100 -0.692 0.000 0.771 307 G HN 1.325 nan 8.290 nan 0.000 0.544 308 G N -0.227 108.376 108.800 -0.327 0.000 2.611 308 G HA2 0.341 4.301 3.960 0.000 0.000 0.273 308 G HA3 0.341 4.301 3.960 0.000 0.000 0.273 308 G C 0.700 175.451 174.900 -0.249 0.000 1.305 308 G CA -0.622 44.291 45.100 -0.312 0.000 1.010 308 G HN 0.044 nan 8.290 nan 0.000 0.509 309 F N -0.674 119.243 119.950 -0.054 0.000 2.091 309 F HA -0.122 4.405 4.527 0.000 0.000 0.299 309 F C 2.501 178.330 175.800 0.049 0.000 1.103 309 F CA 1.298 59.321 58.000 0.038 0.000 1.228 309 F CB -0.329 38.805 39.000 0.223 0.000 0.984 309 F HN 0.269 nan 8.300 nan 0.000 0.477 310 L N 0.570 121.931 121.223 0.230 0.000 2.027 310 L HA 0.002 4.343 4.340 0.000 0.000 0.206 310 L C 2.441 179.333 176.870 0.037 0.000 1.074 310 L CA 2.202 57.124 54.840 0.137 0.000 0.745 310 L CB -1.564 40.581 42.059 0.144 0.000 0.898 310 L HN 0.109 nan 8.230 nan 0.000 0.433 311 G N -1.491 107.318 108.800 0.014 0.000 2.440 311 G HA2 -0.263 3.698 3.960 0.000 0.000 0.218 311 G HA3 -0.263 3.698 3.960 0.000 0.000 0.218 311 G C 1.583 176.466 174.900 -0.028 0.000 1.154 311 G CA 0.972 46.060 45.100 -0.020 0.000 0.767 311 G HN 0.490 nan 8.290 nan 0.000 0.552 312 S N 0.396 116.081 115.700 -0.024 0.000 2.356 312 S HA -0.079 4.391 4.470 0.000 0.000 0.223 312 S C 2.143 176.766 174.600 0.038 0.000 1.032 312 S CA 1.437 59.637 58.200 0.001 0.000 1.005 312 S CB -0.242 62.943 63.200 -0.024 0.000 0.867 312 S HN 0.585 nan 8.310 nan 0.000 0.449 313 E N 0.936 121.178 120.200 0.072 0.000 2.049 313 E HA -0.164 4.186 4.350 0.000 0.000 0.198 313 E C 2.052 178.618 176.600 -0.056 0.000 1.007 313 E CA 1.261 57.711 56.400 0.084 0.000 0.809 313 E CB -0.353 29.413 29.700 0.110 0.000 0.749 313 E HN 0.396 nan 8.360 nan 0.000 0.450 314 L N 0.382 121.496 121.223 -0.182 0.000 2.042 314 L HA -0.212 4.128 4.340 0.000 0.000 0.210 314 L C 2.559 179.234 176.870 -0.325 0.000 1.076 314 L CA 1.059 55.660 54.840 -0.397 0.000 0.749 314 L CB -0.495 41.302 42.059 -0.436 0.000 0.893 314 L HN 0.163 nan 8.230 nan 0.000 0.432 315 A N -1.017 121.704 122.820 -0.164 0.000 1.933 315 A HA -0.218 4.102 4.320 0.000 0.000 0.218 315 A C 2.386 179.907 177.584 -0.105 0.000 1.175 315 A CA 1.833 53.802 52.037 -0.114 0.000 0.628 315 A CB -1.107 17.874 19.000 -0.031 0.000 0.814 315 A HN 0.538 nan 8.150 nan 0.000 0.444 316 C N -1.263 118.005 119.300 -0.054 0.000 2.457 316 C HA 0.150 4.610 4.460 0.000 0.000 0.278 316 C C 3.306 178.259 174.990 -0.061 0.000 1.309 316 C CA 0.601 59.625 59.018 0.010 0.000 1.735 316 C CB -1.195 26.626 27.740 0.135 0.000 1.992 316 C HN 0.705 nan 8.230 nan 0.000 0.493 317 A N 0.394 123.108 122.820 -0.177 0.000 1.873 317 A HA -0.091 4.230 4.320 0.000 0.000 0.215 317 A C 2.102 179.448 177.584 -0.396 0.000 1.186 317 A CA 1.400 53.212 52.037 -0.375 0.000 0.616 317 A CB -0.625 17.917 19.000 -0.763 0.000 0.823 317 A HN 0.583 nan 8.150 nan 0.000 0.442 318 L N -0.678 120.281 121.223 -0.440 0.000 2.046 318 L HA -0.122 4.218 4.340 0.000 0.000 0.208 318 L C 2.844 179.625 176.870 -0.148 0.000 1.077 318 L CA 1.045 55.711 54.840 -0.290 0.000 0.747 318 L CB -0.816 41.078 42.059 -0.275 0.000 0.896 318 L HN 0.506 nan 8.230 nan 0.000 0.432 319 G N -0.362 108.361 108.800 -0.129 0.000 2.440 319 G HA2 -0.298 3.662 3.960 0.000 0.000 0.218 319 G HA3 -0.298 3.662 3.960 0.000 0.000 0.218 319 G C 1.689 176.546 174.900 -0.072 0.000 1.154 319 G CA 0.611 45.666 45.100 -0.076 0.000 0.767 319 G HN 0.185 nan 8.290 nan 0.000 0.552 320 R N 0.361 120.792 120.500 -0.115 0.000 2.081 320 R HA 0.033 4.373 4.340 0.000 0.000 0.235 320 R C 2.631 178.877 176.300 -0.091 0.000 1.131 320 R CA 1.080 57.101 56.100 -0.132 0.000 0.960 320 R CB -0.094 30.000 30.300 -0.344 0.000 0.856 320 R HN 0.154 nan 8.270 nan 0.000 0.436 321 K N -0.041 120.314 120.400 -0.074 0.000 2.097 321 K HA -0.041 4.279 4.320 0.000 0.000 0.205 321 K C 1.928 178.525 176.600 -0.004 0.000 1.050 321 K CA 1.670 57.955 56.287 -0.004 0.000 0.938 321 K CB -0.462 32.077 32.500 0.066 0.000 0.718 321 K HN 0.309 nan 8.250 nan 0.000 0.442 322 S N 1.044 116.732 115.700 -0.019 0.000 2.507 322 S HA -0.123 4.347 4.470 0.000 0.000 0.235 322 S C 1.842 176.437 174.600 -0.008 0.000 0.988 322 S CA 0.652 58.844 58.200 -0.012 0.000 0.944 322 S CB -0.142 63.045 63.200 -0.020 0.000 0.762 322 S HN 0.288 nan 8.310 nan 0.000 0.526 323 Q N 0.800 120.594 119.800 -0.010 0.000 2.135 323 Q HA -0.026 4.315 4.340 0.000 0.000 0.204 323 Q C 2.394 178.396 176.000 0.003 0.000 0.981 323 Q CA 1.682 57.483 55.803 -0.003 0.000 0.856 323 Q CB -0.356 28.381 28.738 -0.001 0.000 0.902 323 Q HN 0.835 nan 8.270 nan 0.000 0.425 324 A N 0.067 122.891 122.820 0.006 0.000 2.085 324 A HA -0.008 4.312 4.320 0.000 0.000 0.208 324 A C 2.063 179.652 177.584 0.009 0.000 1.191 324 A CA 0.804 52.847 52.037 0.010 0.000 0.799 324 A CB 0.045 19.054 19.000 0.015 0.000 0.877 324 A HN 0.350 nan 8.150 nan 0.000 0.473 325 S N -1.626 114.079 115.700 0.008 0.000 2.439 325 S HA 0.357 4.827 4.470 0.000 0.000 0.224 325 S C 1.519 176.121 174.600 0.004 0.000 1.029 325 S CA 1.253 59.457 58.200 0.007 0.000 0.946 325 S CB -0.323 62.883 63.200 0.011 0.000 0.797 325 S HN 1.883 nan 8.310 nan 0.000 0.504 326 G N 2.016 110.816 108.800 0.001 0.000 2.147 326 G HA2 -0.237 3.723 3.960 0.000 0.000 0.244 326 G HA3 -0.237 3.723 3.960 0.000 0.000 0.244 326 G C 0.064 174.962 174.900 -0.003 0.000 1.005 326 G CA 0.219 45.317 45.100 -0.002 0.000 0.713 326 G HN 1.067 nan 8.290 nan 0.000 0.515 327 I N -2.233 118.336 120.570 -0.002 0.000 2.945 327 I HA 0.705 4.875 4.170 0.000 0.000 0.292 327 I C 0.468 176.580 176.117 -0.008 0.000 1.093 327 I CA -0.942 60.357 61.300 -0.002 0.000 1.336 327 I CB 0.964 38.965 38.000 0.001 0.000 1.435 327 I HN 0.187 nan 8.210 nan 0.000 0.593 328 E N 3.449 123.645 120.200 -0.007 0.000 2.227 328 E HA 0.464 4.814 4.350 0.000 0.000 0.282 328 E C -1.534 175.057 176.600 -0.016 0.000 1.015 328 E CA -0.754 55.639 56.400 -0.012 0.000 0.823 328 E CB 1.570 31.264 29.700 -0.011 0.000 1.081 328 E HN 0.574 nan 8.360 nan 0.000 0.396 329 V N 6.522 126.421 119.914 -0.025 0.000 2.409 329 V HA 0.399 4.519 4.120 0.000 0.000 0.291 329 V C -0.020 176.055 176.094 -0.032 0.000 1.020 329 V CA -0.654 61.627 62.300 -0.032 0.000 0.848 329 V CB 1.087 32.881 31.823 -0.048 0.000 0.990 329 V HN 0.638 nan 8.190 nan 0.000 0.430 330 I N 4.048 124.600 120.570 -0.030 0.000 2.493 330 I HA 0.546 4.717 4.170 0.000 0.000 0.298 330 I C -0.235 175.863 176.117 -0.033 0.000 0.998 330 I CA -0.462 60.814 61.300 -0.039 0.000 1.137 330 I CB 1.959 39.934 38.000 -0.041 0.000 1.310 330 I HN 0.612 nan 8.210 nan 0.000 0.445 331 Q N 6.498 126.273 119.800 -0.040 0.000 2.310 331 Q HA 0.633 4.974 4.340 0.000 0.000 0.270 331 Q C -1.817 174.118 176.000 -0.109 0.000 1.025 331 Q CA -0.832 54.970 55.803 -0.002 0.000 0.772 331 Q CB 2.219 31.010 28.738 0.088 0.000 1.253 331 Q HN 0.610 nan 8.270 nan 0.000 0.450 332 L N 1.221 122.390 121.223 -0.091 0.000 2.354 332 L HA 0.927 5.267 4.340 0.000 0.000 0.264 332 L C -1.157 175.641 176.870 -0.120 0.000 1.008 332 L CA -0.750 53.921 54.840 -0.282 0.000 0.819 332 L CB 1.586 43.539 42.059 -0.176 0.000 1.339 332 L HN 0.554 nan 8.230 nan 0.000 0.420 333 F N -1.985 117.942 119.950 -0.039 0.000 2.769 333 F HA 0.653 5.181 4.527 0.000 0.000 0.313 333 F C -2.736 173.041 175.800 -0.039 0.000 1.146 333 F CA -1.656 56.320 58.000 -0.040 0.000 0.934 333 F CB 0.412 39.381 39.000 -0.052 0.000 1.283 333 F HN 0.238 nan 8.300 nan 0.000 0.443 334 P HA 0.056 nan 4.420 nan 0.000 0.222 334 P C -0.315 177.076 177.300 0.152 0.000 1.153 334 P CA 1.182 64.351 63.100 0.115 0.000 0.798 334 P CB 0.251 31.994 31.700 0.071 0.000 0.796 335 E N -0.206 120.152 120.200 0.262 0.000 2.409 335 E HA 0.051 4.401 4.350 0.000 0.000 0.257 335 E C 1.290 178.037 176.600 0.245 0.000 1.150 335 E CA 0.153 56.662 56.400 0.183 0.000 0.942 335 E CB 0.216 29.943 29.700 0.045 0.000 0.979 335 E HN 0.022 nan 8.360 nan 0.000 0.447 336 K N 0.222 120.698 120.400 0.127 0.000 2.283 336 K HA 0.040 4.360 4.320 0.000 0.000 0.202 336 K C 0.675 177.383 176.600 0.179 0.000 1.048 336 K CA 0.942 57.295 56.287 0.109 0.000 0.948 336 K CB 0.086 32.614 32.500 0.046 0.000 0.742 336 K HN 0.530 nan 8.250 nan 0.000 0.458 337 G N 0.142 109.064 108.800 0.202 0.000 2.608 337 G HA2 0.140 4.100 3.960 0.000 0.000 0.291 337 G HA3 0.140 4.100 3.960 0.000 0.000 0.291 337 G C -1.474 173.322 174.900 -0.174 0.000 1.425 337 G CA -0.909 44.302 45.100 0.184 0.000 0.787 337 G HN -0.023 nan 8.290 nan 0.000 0.484 338 N N 0.256 118.810 118.700 -0.242 0.000 2.412 338 N HA 0.106 4.846 4.740 0.000 0.000 0.258 338 N C 0.485 175.690 175.510 -0.508 0.000 1.236 338 N CA 0.519 53.235 53.050 -0.556 0.000 0.882 338 N CB 0.479 38.792 38.487 -0.290 0.000 1.066 338 N HN 0.554 nan 8.380 nan 0.000 0.465 339 M N 0.325 119.541 119.600 -0.641 0.000 2.576 339 M HA -0.193 4.287 4.480 0.000 0.000 0.200 339 M C 1.235 177.295 176.300 -0.401 0.000 0.487 339 M CA 0.648 55.576 55.300 -0.620 0.000 0.553 339 M CB -1.700 30.362 32.600 -0.897 0.000 2.042 339 M HN 0.779 nan 8.290 nan 0.000 0.758 340 G N -0.036 108.566 108.800 -0.329 0.000 2.470 340 G HA2 -0.180 3.780 3.960 0.000 0.000 0.220 340 G HA3 -0.180 3.780 3.960 0.000 0.000 0.220 340 G C 1.342 176.156 174.900 -0.144 0.000 1.121 340 G CA 0.959 45.941 45.100 -0.197 0.000 0.766 340 G HN 0.611 nan 8.290 nan 0.000 0.553 341 K N -0.463 119.843 120.400 -0.157 0.000 2.432 341 K HA 0.271 4.591 4.320 0.000 0.000 0.196 341 K C 1.690 178.244 176.600 -0.076 0.000 1.038 341 K CA 0.303 56.530 56.287 -0.100 0.000 0.986 341 K CB 0.176 32.618 32.500 -0.098 0.000 0.782 341 K HN 0.350 nan 8.250 nan 0.000 0.485 342 I N -0.073 120.437 120.570 -0.101 0.000 3.673 342 I HA 0.054 4.224 4.170 0.000 0.000 0.281 342 I C 0.590 176.738 176.117 0.053 0.000 1.182 342 I CA -0.007 61.269 61.300 -0.041 0.000 1.391 342 I CB 0.295 38.272 38.000 -0.039 0.000 1.383 342 I HN -0.036 nan 8.210 nan 0.000 0.456 343 L N 2.710 123.904 121.223 -0.048 0.000 2.418 343 L HA 0.282 4.622 4.340 0.000 0.000 0.265 343 L C -2.261 174.528 176.870 -0.136 0.000 1.143 343 L CA -1.688 53.120 54.840 -0.054 0.000 0.809 343 L CB -0.031 41.932 42.059 -0.161 0.000 1.124 343 L HN -0.166 nan 8.230 nan 0.000 0.456 344 P HA -0.013 nan 4.420 nan 0.000 0.268 344 P C 0.168 177.184 177.300 -0.473 0.000 1.205 344 P CA -0.155 62.694 63.100 -0.418 0.000 0.771 344 P CB 0.571 31.826 31.700 -0.743 0.000 0.858 345 Q N 2.573 122.215 119.800 -0.264 0.000 2.118 345 Q HA -0.279 4.061 4.340 0.000 0.000 0.211 345 Q C 1.655 177.570 176.000 -0.141 0.000 0.998 345 Q CA 2.230 57.945 55.803 -0.147 0.000 0.872 345 Q CB -0.534 28.181 28.738 -0.038 0.000 0.925 345 Q HN 0.628 nan 8.270 nan 0.000 0.414 346 Y N -1.016 119.265 120.300 -0.032 0.000 2.207 346 Y HA -0.172 4.378 4.550 0.000 0.000 0.287 346 Y C 1.834 177.697 175.900 -0.061 0.000 1.156 346 Y CA 0.864 58.934 58.100 -0.049 0.000 1.182 346 Y CB -0.754 37.655 38.460 -0.085 0.000 0.979 346 Y HN 0.147 nan 8.280 nan 0.000 0.521 347 L N 0.013 120.979 121.223 -0.428 0.000 2.270 347 L HA 0.023 4.364 4.340 0.000 0.000 0.210 347 L C 2.644 179.464 176.870 -0.083 0.000 1.104 347 L CA 1.556 56.255 54.840 -0.235 0.000 0.804 347 L CB -0.874 40.978 42.059 -0.346 0.000 0.937 347 L HN 0.434 nan 8.230 nan 0.000 0.450 348 S N -0.845 114.771 115.700 -0.140 0.000 2.383 348 S HA -0.187 4.283 4.470 0.000 0.000 0.227 348 S C 1.955 176.553 174.600 -0.004 0.000 1.026 348 S CA 1.467 59.608 58.200 -0.097 0.000 0.981 348 S CB -0.431 62.687 63.200 -0.137 0.000 0.818 348 S HN 0.638 nan 8.310 nan 0.000 0.472 349 N N -0.770 117.946 118.700 0.026 0.000 2.106 349 N HA -0.153 4.587 4.740 0.000 0.000 0.188 349 N C 1.719 177.287 175.510 0.097 0.000 1.029 349 N CA 1.438 54.523 53.050 0.058 0.000 0.848 349 N CB -0.442 38.082 38.487 0.062 0.000 1.007 349 N HN 0.648 nan 8.380 nan 0.000 0.423 350 W N 1.993 123.264 121.300 -0.049 0.000 2.318 350 W HA -0.186 4.474 4.660 0.000 0.000 0.313 350 W C 2.284 178.806 176.519 0.005 0.000 1.221 350 W CA 2.145 59.467 57.345 -0.038 0.000 1.266 350 W CB -0.639 28.749 29.460 -0.120 0.000 1.150 350 W HN -0.034 nan 8.180 nan 0.000 0.496 351 T N 1.055 115.843 114.554 0.391 0.000 2.684 351 T HA -0.340 4.010 4.350 0.000 0.000 0.267 351 T C 1.773 176.494 174.700 0.034 0.000 1.036 351 T CA 1.961 64.237 62.100 0.294 0.000 1.148 351 T CB -0.641 68.385 68.868 0.264 0.000 0.863 351 T HN 0.322 nan 8.240 nan 0.000 0.436 352 M N 0.905 120.518 119.600 0.023 0.000 2.106 352 M HA -0.164 4.316 4.480 0.000 0.000 0.259 352 M C 2.101 178.375 176.300 -0.044 0.000 1.068 352 M CA 1.665 56.977 55.300 0.020 0.000 1.100 352 M CB -0.056 32.582 32.600 0.063 0.000 1.351 352 M HN 0.010 nan 8.290 nan 0.000 0.404 353 E N 0.244 120.374 120.200 -0.118 0.000 2.150 353 E HA -0.191 4.159 4.350 0.000 0.000 0.193 353 E C 1.894 178.350 176.600 -0.241 0.000 0.985 353 E CA 1.093 57.391 56.400 -0.170 0.000 0.814 353 E CB -0.318 29.256 29.700 -0.210 0.000 0.752 353 E HN 0.423 nan 8.360 nan 0.000 0.466 354 K N 0.949 121.121 120.400 -0.381 0.000 2.032 354 K HA -0.100 4.220 4.320 0.000 0.000 0.209 354 K C 2.034 178.553 176.600 -0.135 0.000 1.048 354 K CA 1.067 57.134 56.287 -0.367 0.000 0.927 354 K CB -0.446 31.746 32.500 -0.514 0.000 0.712 354 K HN -0.059 nan 8.250 nan 0.000 0.441 355 V N 1.330 121.205 119.914 -0.066 0.000 2.343 355 V HA -0.234 3.886 4.120 0.000 0.000 0.247 355 V C 2.129 178.210 176.094 -0.022 0.000 1.051 355 V CA 1.934 64.230 62.300 -0.006 0.000 1.036 355 V CB -0.454 31.388 31.823 0.032 0.000 0.654 355 V HN 0.339 nan 8.190 nan 0.000 0.451 356 K N 0.059 120.435 120.400 -0.040 0.000 2.103 356 K HA -0.180 4.140 4.320 0.000 0.000 0.207 356 K C 2.293 178.866 176.600 -0.045 0.000 1.048 356 K CA 1.501 57.763 56.287 -0.041 0.000 0.930 356 K CB -0.256 32.213 32.500 -0.051 0.000 0.716 356 K HN 0.389 nan 8.250 nan 0.000 0.444 357 R N 0.757 121.219 120.500 -0.063 0.000 2.280 357 R HA -0.036 4.305 4.340 0.000 0.000 0.207 357 R C 1.439 177.720 176.300 -0.031 0.000 1.043 357 R CA 0.523 56.590 56.100 -0.055 0.000 1.006 357 R CB 0.142 30.394 30.300 -0.080 0.000 0.885 357 R HN 0.161 nan 8.270 nan 0.000 0.467 358 E N -0.204 119.983 120.200 -0.022 0.000 2.511 358 E HA 0.008 4.359 4.350 0.000 0.000 0.196 358 E C 0.723 177.313 176.600 -0.016 0.000 1.066 358 E CA 0.694 57.091 56.400 -0.005 0.000 0.871 358 E CB 0.516 30.223 29.700 0.012 0.000 0.863 358 E HN 0.478 nan 8.360 nan 0.000 0.520 359 G N 0.687 109.474 108.800 -0.022 0.000 2.215 359 G HA2 -0.205 3.755 3.960 0.000 0.000 0.198 359 G HA3 -0.205 3.755 3.960 0.000 0.000 0.198 359 G C -0.100 174.784 174.900 -0.028 0.000 1.047 359 G CA 0.090 45.175 45.100 -0.024 0.000 0.747 359 G HN 0.094 nan 8.290 nan 0.000 0.495 360 V N 0.322 120.219 119.914 -0.028 0.000 2.555 360 V HA 0.572 4.692 4.120 0.000 0.000 0.302 360 V C 0.549 176.623 176.094 -0.033 0.000 1.038 360 V CA -0.989 61.293 62.300 -0.029 0.000 0.887 360 V CB 2.048 33.858 31.823 -0.020 0.000 0.991 360 V HN 0.386 nan 8.190 nan 0.000 0.434 361 K N 4.097 124.474 120.400 -0.039 0.000 2.250 361 K HA 0.467 4.787 4.320 0.000 0.000 0.280 361 K C -1.039 175.521 176.600 -0.067 0.000 1.098 361 K CA -0.298 55.959 56.287 -0.049 0.000 0.916 361 K CB 0.892 33.363 32.500 -0.049 0.000 1.209 361 K HN 0.526 nan 8.250 nan 0.000 0.461 362 V N 6.418 126.290 119.914 -0.070 0.000 2.432 362 V HA 0.266 4.386 4.120 0.000 0.000 0.275 362 V C 0.178 176.155 176.094 -0.194 0.000 1.043 362 V CA -0.368 61.867 62.300 -0.108 0.000 0.925 362 V CB 1.103 32.910 31.823 -0.026 0.000 0.985 362 V HN 0.790 nan 8.190 nan 0.000 0.466 363 M N 7.869 127.268 119.600 -0.334 0.000 2.006 363 M HA 0.387 4.867 4.480 0.000 0.000 0.314 363 M C -2.713 173.229 176.300 -0.597 0.000 0.926 363 M CA -1.569 53.525 55.300 -0.343 0.000 0.906 363 M CB 1.726 34.179 32.600 -0.245 0.000 1.422 363 M HN 0.366 nan 8.290 nan 0.000 0.397 364 P HA 0.316 nan 4.420 nan 0.000 0.277 364 P C -0.634 176.530 177.300 -0.228 0.000 1.271 364 P CA -0.069 62.737 63.100 -0.491 0.000 0.795 364 P CB 0.350 31.979 31.700 -0.119 0.000 1.101 365 N N -3.567 115.080 118.700 -0.089 0.000 2.741 365 N HA -0.175 4.565 4.740 0.000 0.000 0.251 365 N C -0.460 175.012 175.510 -0.063 0.000 1.112 365 N CA 0.589 53.614 53.050 -0.041 0.000 0.750 365 N CB -1.855 36.609 38.487 -0.037 0.000 1.119 365 N HN 0.585 nan 8.380 nan 0.000 0.561 366 A N 0.566 123.327 122.820 -0.099 0.000 2.260 366 A HA 0.702 5.023 4.320 0.000 0.000 0.314 366 A C 0.048 177.608 177.584 -0.039 0.000 1.257 366 A CA -0.371 51.614 52.037 -0.087 0.000 0.871 366 A CB 0.605 19.520 19.000 -0.141 0.000 1.166 366 A HN 0.292 nan 8.150 nan 0.000 0.522 367 I N 3.235 123.789 120.570 -0.027 0.000 2.362 367 I HA 0.244 4.414 4.170 0.000 0.000 0.289 367 I C -0.334 175.773 176.117 -0.016 0.000 0.994 367 I CA -0.837 60.456 61.300 -0.011 0.000 1.158 367 I CB 1.945 39.940 38.000 -0.008 0.000 1.315 367 I HN 0.316 nan 8.210 nan 0.000 0.451 368 V N 6.344 126.251 119.914 -0.012 0.000 2.555 368 V HA 0.016 4.137 4.120 0.000 0.000 0.286 368 V C 0.785 176.872 176.094 -0.012 0.000 1.044 368 V CA 0.098 62.389 62.300 -0.015 0.000 1.026 368 V CB 1.314 33.130 31.823 -0.011 0.000 0.981 368 V HN 0.776 nan 8.190 nan 0.000 0.480 369 Q N 3.198 122.989 119.800 -0.014 0.000 2.324 369 Q HA 0.158 4.498 4.340 0.000 0.000 0.207 369 Q C 0.573 176.566 176.000 -0.011 0.000 0.928 369 Q CA 0.920 56.716 55.803 -0.012 0.000 0.890 369 Q CB 0.663 29.393 28.738 -0.013 0.000 1.001 369 Q HN 1.004 nan 8.270 nan 0.000 0.517 370 S N -2.149 113.544 115.700 -0.013 0.000 2.578 370 S HA 0.679 5.149 4.470 0.000 0.000 0.272 370 S C -1.355 173.236 174.600 -0.014 0.000 1.145 370 S CA -0.885 57.308 58.200 -0.012 0.000 0.835 370 S CB 1.351 64.545 63.200 -0.010 0.000 1.104 370 S HN -0.079 nan 8.310 nan 0.000 0.458 371 V N 1.030 120.936 119.914 -0.013 0.000 2.588 371 V HA 0.921 5.041 4.120 0.000 0.000 0.304 371 V C 0.671 176.757 176.094 -0.013 0.000 1.042 371 V CA 0.251 62.542 62.300 -0.016 0.000 0.877 371 V CB 1.320 33.131 31.823 -0.019 0.000 0.996 371 V HN 1.401 nan 8.190 nan 0.000 0.425 372 G N 2.378 111.171 108.800 -0.013 0.000 3.022 372 G HA2 0.722 4.682 3.960 0.000 0.000 0.284 372 G HA3 0.722 4.682 3.960 0.000 0.000 0.284 372 G C -1.650 173.244 174.900 -0.009 0.000 1.375 372 G CA -0.682 44.412 45.100 -0.010 0.000 0.902 372 G HN 0.523 nan 8.290 nan 0.000 0.538 373 V N 0.086 119.997 119.914 -0.006 0.000 2.581 373 V HA 0.774 4.894 4.120 0.000 0.000 0.303 373 V C -0.138 175.954 176.094 -0.003 0.000 1.041 373 V CA -0.521 61.777 62.300 -0.004 0.000 0.907 373 V CB 1.608 33.430 31.823 -0.001 0.000 0.994 373 V HN 0.863 nan 8.190 nan 0.000 0.442 374 S N 2.701 118.400 115.700 -0.002 0.000 2.603 374 S HA 0.592 5.063 4.470 0.000 0.000 0.274 374 S C 0.183 174.782 174.600 -0.001 0.000 1.168 374 S CA 0.272 58.470 58.200 -0.002 0.000 0.963 374 S CB 1.248 64.446 63.200 -0.004 0.000 1.078 374 S HN 2.149 nan 8.310 nan 0.000 0.477 375 G N 2.871 111.671 108.800 -0.000 0.000 2.371 375 G HA2 0.074 4.034 3.960 0.000 0.000 0.299 375 G HA3 0.074 4.034 3.960 0.000 0.000 0.299 375 G C 1.467 176.369 174.900 0.003 0.000 1.014 375 G CA 1.074 46.174 45.100 0.001 0.000 1.097 375 G HN 2.326 nan 8.290 nan 0.000 0.512 376 G N -0.705 108.098 108.800 0.004 0.000 2.353 376 G HA2 -0.309 3.651 3.960 0.000 0.000 0.258 376 G HA3 -0.309 3.651 3.960 0.000 0.000 0.258 376 G C 0.803 175.709 174.900 0.010 0.000 1.013 376 G CA 1.719 46.823 45.100 0.007 0.000 0.622 376 G HN 1.826 nan 8.290 nan 0.000 0.535 377 R N -0.274 120.231 120.500 0.008 0.000 2.893 377 R HA 0.815 5.155 4.340 0.000 0.000 0.245 377 R C 0.073 176.376 176.300 0.004 0.000 1.192 377 R CA -1.145 54.961 56.100 0.010 0.000 1.077 377 R CB 0.911 31.217 30.300 0.011 0.000 1.253 377 R HN 0.195 nan 8.270 nan 0.000 0.505 378 L N 0.877 122.101 121.223 0.003 0.000 2.439 378 L HA 0.254 4.594 4.340 0.000 0.000 0.269 378 L C -0.336 176.529 176.870 -0.009 0.000 1.179 378 L CA -0.774 54.061 54.840 -0.007 0.000 0.828 378 L CB 0.640 42.690 42.059 -0.015 0.000 1.106 378 L HN 0.400 nan 8.230 nan 0.000 0.467 379 L N 4.795 126.011 121.223 -0.012 0.000 2.415 379 L HA 0.497 4.837 4.340 0.000 0.000 0.268 379 L C -0.641 176.219 176.870 -0.017 0.000 0.984 379 L CA -0.016 54.816 54.840 -0.014 0.000 0.853 379 L CB 1.132 43.185 42.059 -0.011 0.000 1.215 379 L HN 0.334 nan 8.230 nan 0.000 0.419 380 I N 5.121 125.679 120.570 -0.020 0.000 2.304 380 I HA 0.306 4.477 4.170 0.000 0.000 0.291 380 I C 0.002 176.104 176.117 -0.024 0.000 1.018 380 I CA -0.479 60.807 61.300 -0.023 0.000 1.260 380 I CB 0.707 38.691 38.000 -0.027 0.000 1.390 380 I HN 0.477 nan 8.210 nan 0.000 0.475 381 K N 7.539 127.926 120.400 -0.021 0.000 2.234 381 K HA 0.562 4.882 4.320 0.000 0.000 0.277 381 K C -0.805 175.781 176.600 -0.023 0.000 1.038 381 K CA -0.552 55.722 56.287 -0.021 0.000 0.888 381 K CB 1.586 34.075 32.500 -0.017 0.000 1.091 381 K HN 0.487 nan 8.250 nan 0.000 0.467 382 L N 2.847 124.053 121.223 -0.028 0.000 2.357 382 L HA 0.241 4.581 4.340 0.000 0.000 0.273 382 L C 1.689 178.544 176.870 -0.025 0.000 1.080 382 L CA -0.481 54.341 54.840 -0.030 0.000 0.803 382 L CB 1.039 43.073 42.059 -0.041 0.000 1.174 382 L HN 0.690 nan 8.230 nan 0.000 0.443 383 K N 1.164 121.551 120.400 -0.022 0.000 2.152 383 K HA -0.194 4.126 4.320 0.000 0.000 0.206 383 K C 1.119 177.707 176.600 -0.019 0.000 1.048 383 K CA 1.962 58.238 56.287 -0.018 0.000 0.933 383 K CB 0.110 32.601 32.500 -0.015 0.000 0.721 383 K HN 0.832 nan 8.250 nan 0.000 0.447 384 D N -1.830 118.556 120.400 -0.024 0.000 2.363 384 D HA 0.024 4.664 4.640 0.000 0.000 0.226 384 D C 1.087 177.373 176.300 -0.023 0.000 1.020 384 D CA 0.856 54.841 54.000 -0.024 0.000 0.892 384 D CB 0.420 41.203 40.800 -0.029 0.000 0.900 384 D HN 0.392 nan 8.370 nan 0.000 0.531 385 G N -0.374 108.412 108.800 -0.023 0.000 2.307 385 G HA2 -0.267 3.694 3.960 0.000 0.000 0.210 385 G HA3 -0.267 3.694 3.960 0.000 0.000 0.210 385 G C 0.367 175.252 174.900 -0.024 0.000 1.005 385 G CA -0.347 44.740 45.100 -0.021 0.000 0.634 385 G HN 0.396 nan 8.290 nan 0.000 0.496 386 R N 1.331 121.813 120.500 -0.030 0.000 2.643 386 R HA 0.510 4.850 4.340 0.000 0.000 0.270 386 R C 0.480 176.761 176.300 -0.032 0.000 1.061 386 R CA 0.295 56.375 56.100 -0.033 0.000 1.107 386 R CB 0.576 30.850 30.300 -0.043 0.000 0.999 386 R HN 0.362 nan 8.270 nan 0.000 0.460 387 K N 1.349 121.731 120.400 -0.030 0.000 2.259 387 K HA 0.419 4.739 4.320 0.000 0.000 0.252 387 K C -1.283 175.299 176.600 -0.030 0.000 0.936 387 K CA -0.710 55.561 56.287 -0.027 0.000 0.810 387 K CB 1.810 34.297 32.500 -0.022 0.000 1.143 387 K HN 0.302 nan 8.250 nan 0.000 0.427 388 V N 2.167 122.063 119.914 -0.030 0.000 2.487 388 V HA 0.320 4.440 4.120 0.000 0.000 0.298 388 V C -0.533 175.547 176.094 -0.023 0.000 1.028 388 V CA -0.779 61.502 62.300 -0.030 0.000 0.860 388 V CB 1.496 33.297 31.823 -0.038 0.000 0.991 388 V HN 0.901 nan 8.190 nan 0.000 0.427 389 E N 2.492 122.680 120.200 -0.019 0.000 2.175 389 E HA 0.687 5.037 4.350 0.000 0.000 0.278 389 E C -0.674 175.921 176.600 -0.008 0.000 0.969 389 E CA -0.070 56.323 56.400 -0.012 0.000 0.796 389 E CB 1.741 31.434 29.700 -0.010 0.000 1.104 389 E HN 0.763 nan 8.360 nan 0.000 0.395 390 T N 1.972 116.524 114.554 -0.002 0.000 2.739 390 T HA 0.175 4.525 4.350 0.000 0.000 0.303 390 T C -0.832 173.881 174.700 0.021 0.000 1.389 390 T CA -0.587 61.517 62.100 0.007 0.000 1.001 390 T CB 1.201 70.071 68.868 0.003 0.000 1.436 390 T HN 0.460 nan 8.240 nan 0.000 0.500 391 D N -0.077 120.350 120.400 0.044 0.000 2.423 391 D HA 0.152 4.792 4.640 0.000 0.000 0.208 391 D C 0.180 176.560 176.300 0.133 0.000 1.068 391 D CA 0.300 54.341 54.000 0.069 0.000 0.860 391 D CB 0.478 41.317 40.800 0.065 0.000 0.992 391 D HN 0.459 nan 8.370 nan 0.000 0.504 392 H N -0.257 118.820 119.070 0.013 0.000 3.079 392 H HA 0.388 4.945 4.556 0.000 0.000 0.356 392 H C -1.447 173.894 175.328 0.022 0.000 1.221 392 H CA -0.434 55.628 56.048 0.023 0.000 1.185 392 H CB 1.859 31.640 29.762 0.032 0.000 1.882 392 H HN -0.190 nan 8.280 nan 0.000 0.543 393 I N 3.682 124.008 120.570 -0.406 0.000 2.474 393 I HA 0.278 4.448 4.170 0.000 0.000 0.294 393 I C -0.406 175.646 176.117 -0.108 0.000 1.005 393 I CA -0.974 60.226 61.300 -0.167 0.000 1.113 393 I CB 2.248 40.164 38.000 -0.140 0.000 1.289 393 I HN 0.181 nan 8.210 nan 0.000 0.436 394 V N 5.520 125.462 119.914 0.048 0.000 2.540 394 V HA 0.510 4.631 4.120 0.000 0.000 0.302 394 V C -0.397 175.745 176.094 0.079 0.000 1.035 394 V CA 0.028 62.397 62.300 0.115 0.000 0.873 394 V CB 2.162 34.093 31.823 0.180 0.000 0.992 394 V HN 0.776 nan 8.190 nan 0.000 0.428 395 T N 6.481 121.095 114.554 0.100 0.000 2.767 395 T HA 0.706 5.056 4.350 0.000 0.000 0.284 395 T C 0.018 174.783 174.700 0.110 0.000 0.973 395 T CA 0.236 62.386 62.100 0.083 0.000 0.996 395 T CB 1.333 70.241 68.868 0.066 0.000 0.927 395 T HN 1.137 nan 8.240 nan 0.000 0.456 396 A N 2.975 125.845 122.820 0.082 0.000 3.317 396 A HA 0.515 4.836 4.320 0.000 0.000 0.307 396 A C 0.390 178.010 177.584 0.059 0.000 1.003 396 A CA -0.638 51.451 52.037 0.087 0.000 0.882 396 A CB 0.075 19.116 19.000 0.067 0.000 1.136 396 A HN 0.822 nan 8.150 nan 0.000 0.488 397 V N -1.426 118.522 119.914 0.057 0.000 2.804 397 V HA 0.705 4.825 4.120 0.000 0.000 0.360 397 V C 0.444 176.558 176.094 0.032 0.000 1.282 397 V CA 0.136 62.458 62.300 0.036 0.000 1.274 397 V CB -0.789 31.054 31.823 0.033 0.000 1.415 397 V HN 2.040 nan 8.190 nan 0.000 0.610 398 G N 0.701 109.526 108.800 0.041 0.000 2.592 398 G HA2 0.142 4.102 3.960 0.000 0.000 0.684 398 G HA3 0.142 4.102 3.960 0.000 0.000 0.684 398 G C -1.567 173.361 174.900 0.046 0.000 1.291 398 G CA -0.232 44.888 45.100 0.035 0.000 0.891 398 G HN 1.096 nan 8.290 nan 0.000 0.544 399 L N -0.512 120.733 121.223 0.037 0.000 2.386 399 L HA 0.870 5.210 4.340 0.000 0.000 0.271 399 L C -0.426 176.461 176.870 0.028 0.000 0.993 399 L CA -0.915 53.951 54.840 0.042 0.000 0.819 399 L CB 2.058 44.148 42.059 0.052 0.000 1.294 399 L HN 0.767 nan 8.230 nan 0.000 0.414 400 E N 5.609 125.825 120.200 0.027 0.000 2.055 400 E HA 0.470 4.820 4.350 0.000 0.000 0.274 400 E C -2.499 174.109 176.600 0.013 0.000 0.949 400 E CA -2.369 54.038 56.400 0.012 0.000 0.775 400 E CB 1.043 30.748 29.700 0.008 0.000 1.097 400 E HN 0.287 nan 8.360 nan 0.000 0.404 401 P HA 0.015 nan 4.420 nan 0.000 0.266 401 P C -0.706 176.589 177.300 -0.009 0.000 1.195 401 P CA -0.014 63.093 63.100 0.011 0.000 0.768 401 P CB 0.474 32.169 31.700 -0.010 0.000 0.838 402 N N 2.180 120.908 118.700 0.047 0.000 2.663 402 N HA 0.072 4.812 4.740 0.000 0.000 0.250 402 N C 0.504 176.054 175.510 0.067 0.000 1.129 402 N CA 0.012 53.097 53.050 0.060 0.000 0.995 402 N CB 0.178 38.725 38.487 0.099 0.000 1.324 402 N HN 0.182 nan 8.380 nan 0.000 0.512 403 V N -1.212 118.634 119.914 -0.113 0.000 3.271 403 V HA 0.210 4.330 4.120 0.000 0.000 0.327 403 V C 1.323 177.372 176.094 -0.074 0.000 1.389 403 V CA -0.067 62.018 62.300 -0.359 0.000 1.156 403 V CB -0.280 31.147 31.823 -0.660 0.000 1.103 403 V HN 0.284 nan 8.190 nan 0.000 0.453 404 E N 0.963 121.185 120.200 0.037 0.000 2.209 404 E HA -0.127 4.223 4.350 0.000 0.000 0.196 404 E C 1.794 178.447 176.600 0.088 0.000 0.993 404 E CA 1.476 57.904 56.400 0.047 0.000 0.819 404 E CB -0.130 29.602 29.700 0.053 0.000 0.745 404 E HN 0.633 nan 8.360 nan 0.000 0.477 405 L N 0.185 121.517 121.223 0.182 0.000 2.551 405 L HA -0.040 4.300 4.340 0.000 0.000 0.228 405 L C 2.331 179.318 176.870 0.195 0.000 1.153 405 L CA 0.083 55.021 54.840 0.164 0.000 0.851 405 L CB -0.255 41.897 42.059 0.154 0.000 0.959 405 L HN 0.131 nan 8.230 nan 0.000 0.451 406 A N 0.484 123.460 122.820 0.260 0.000 1.972 406 A HA -0.257 4.063 4.320 0.000 0.000 0.219 406 A C 2.373 180.005 177.584 0.079 0.000 1.169 406 A CA 1.894 54.058 52.037 0.213 0.000 0.635 406 A CB -0.273 18.769 19.000 0.070 0.000 0.810 406 A HN 0.355 nan 8.150 nan 0.000 0.446 407 K N -0.354 120.067 120.400 0.036 0.000 1.973 407 K HA -0.153 4.167 4.320 0.000 0.000 0.212 407 K C 2.204 178.787 176.600 -0.028 0.000 1.047 407 K CA 2.205 58.493 56.287 0.003 0.000 0.937 407 K CB -0.424 32.075 32.500 -0.001 0.000 0.721 407 K HN 0.565 nan 8.250 nan 0.000 0.440 408 T N -2.286 112.216 114.554 -0.088 0.000 2.867 408 T HA -0.019 4.332 4.350 0.000 0.000 0.268 408 T C 2.036 176.650 174.700 -0.143 0.000 1.057 408 T CA 0.977 62.950 62.100 -0.210 0.000 1.136 408 T CB -0.650 67.867 68.868 -0.586 0.000 0.874 408 T HN 0.348 nan 8.240 nan 0.000 0.466 409 G N 1.039 109.797 108.800 -0.069 0.000 2.509 409 G HA2 0.317 4.277 3.960 0.000 0.000 0.218 409 G HA3 0.317 4.277 3.960 0.000 0.000 0.218 409 G C 1.316 176.221 174.900 0.009 0.000 1.124 409 G CA 0.217 45.307 45.100 -0.016 0.000 0.776 409 G HN 1.251 nan 8.290 nan 0.000 0.547 410 G N -0.534 108.274 108.800 0.013 0.000 2.221 410 G HA2 -0.259 3.701 3.960 0.000 0.000 0.265 410 G HA3 -0.259 3.701 3.960 0.000 0.000 0.265 410 G C 0.253 175.178 174.900 0.041 0.000 1.041 410 G CA 0.375 45.487 45.100 0.021 0.000 0.807 410 G HN 0.530 nan 8.290 nan 0.000 0.502 411 L N -0.260 121.010 121.223 0.079 0.000 2.357 411 L HA 0.523 4.863 4.340 0.000 0.000 0.273 411 L C 0.876 177.819 176.870 0.122 0.000 1.080 411 L CA -0.814 54.102 54.840 0.126 0.000 0.803 411 L CB 1.260 43.465 42.059 0.243 0.000 1.174 411 L HN 0.369 nan 8.230 nan 0.000 0.443 412 E N 2.496 122.762 120.200 0.111 0.000 2.289 412 E HA 0.334 4.685 4.350 0.000 0.000 0.278 412 E C -1.032 175.604 176.600 0.060 0.000 1.032 412 E CA -0.539 55.902 56.400 0.069 0.000 0.854 412 E CB 1.009 30.746 29.700 0.060 0.000 1.046 412 E HN 0.408 nan 8.360 nan 0.000 0.409 413 I N 3.865 124.425 120.570 -0.017 0.000 2.353 413 I HA 0.070 4.241 4.170 0.000 0.000 0.293 413 I C 0.461 176.556 176.117 -0.036 0.000 0.992 413 I CA -0.536 60.714 61.300 -0.084 0.000 1.268 413 I CB 1.241 39.153 38.000 -0.147 0.000 1.387 413 I HN 0.561 nan 8.210 nan 0.000 0.478 414 D N 4.537 124.932 120.400 -0.010 0.000 2.401 414 D HA -0.019 4.621 4.640 0.000 0.000 0.254 414 D C 1.163 177.430 176.300 -0.055 0.000 1.192 414 D CA 0.071 54.077 54.000 0.010 0.000 0.885 414 D CB 1.138 41.993 40.800 0.092 0.000 1.147 414 D HN 0.687 nan 8.370 nan 0.000 0.478 415 S N 2.937 118.587 115.700 -0.082 0.000 2.447 415 S HA -0.152 4.318 4.470 0.000 0.000 0.233 415 S C 0.990 175.459 174.600 -0.219 0.000 1.006 415 S CA 0.682 58.808 58.200 -0.123 0.000 0.957 415 S CB 0.271 63.412 63.200 -0.099 0.000 0.773 415 S HN 0.506 nan 8.310 nan 0.000 0.507 416 D N 0.169 120.345 120.400 -0.373 0.000 2.277 416 D HA 0.202 4.842 4.640 0.000 0.000 0.209 416 D C 0.642 176.388 176.300 -0.923 0.000 0.970 416 D CA 0.710 54.249 54.000 -0.767 0.000 0.874 416 D CB -0.029 40.046 40.800 -1.209 0.000 0.982 416 D HN 0.529 nan 8.370 nan 0.000 0.504 417 F N 0.000 119.910 119.950 -0.066 0.000 2.767 417 F HA 0.384 4.911 4.527 0.000 0.000 0.323 417 F C 1.308 177.065 175.800 -0.072 0.000 1.091 417 F CA 0.033 57.986 58.000 -0.079 0.000 1.192 417 F CB 0.612 39.548 39.000 -0.107 0.000 1.056 417 F HN -0.092 nan 8.300 nan 0.000 0.571 418 G N 0.295 109.118 108.800 0.038 0.000 2.795 418 G HA2 0.394 4.354 3.960 0.000 0.000 0.664 418 G HA3 0.394 4.354 3.960 0.000 0.000 0.664 418 G C 0.089 174.991 174.900 0.004 0.000 1.381 418 G CA -0.360 44.735 45.100 -0.009 0.000 0.853 418 G HN 1.307 nan 8.290 nan 0.000 0.545 419 G N -1.858 106.898 108.800 -0.073 0.000 2.746 419 G HA2 0.299 4.259 3.960 0.000 0.000 0.685 419 G HA3 0.299 4.259 3.960 0.000 0.000 0.685 419 G C -0.236 174.606 174.900 -0.097 0.000 1.350 419 G CA 0.080 45.140 45.100 -0.066 0.000 0.837 419 G HN 1.742 nan 8.290 nan 0.000 0.564 420 F N 1.154 121.144 119.950 0.066 0.000 2.445 420 F HA 0.422 4.950 4.527 0.000 0.000 0.359 420 F C 1.517 177.363 175.800 0.077 0.000 1.101 420 F CA -0.142 57.892 58.000 0.057 0.000 1.177 420 F CB 1.021 40.050 39.000 0.048 0.000 1.110 420 F HN 0.558 nan 8.300 nan 0.000 0.522 421 R N 3.931 124.560 120.500 0.216 0.000 2.489 421 R HA 0.414 4.754 4.340 0.000 0.000 0.287 421 R C -0.985 175.424 176.300 0.181 0.000 1.053 421 R CA -0.151 56.057 56.100 0.181 0.000 1.036 421 R CB 0.429 30.809 30.300 0.133 0.000 0.966 421 R HN 0.628 nan 8.270 nan 0.000 0.432 422 V N 1.111 121.139 119.914 0.190 0.000 3.102 422 V HA 0.413 4.533 4.120 0.000 0.000 0.312 422 V C 0.204 176.402 176.094 0.174 0.000 1.135 422 V CA -1.367 61.025 62.300 0.154 0.000 1.022 422 V CB 1.675 33.590 31.823 0.152 0.000 1.056 422 V HN 0.786 nan 8.190 nan 0.000 0.436 423 N N 0.418 119.191 118.700 0.122 0.000 2.237 423 N HA 0.052 4.792 4.740 0.000 0.000 0.222 423 N C 1.428 177.053 175.510 0.192 0.000 1.311 423 N CA 0.730 53.852 53.050 0.121 0.000 0.880 423 N CB 1.374 39.899 38.487 0.064 0.000 1.106 423 N HN 1.064 nan 8.380 nan 0.000 0.435 424 A N 1.592 124.519 122.820 0.180 0.000 2.070 424 A HA -0.135 4.185 4.320 0.000 0.000 0.220 424 A C 1.478 179.191 177.584 0.214 0.000 1.159 424 A CA 1.415 53.595 52.037 0.238 0.000 0.656 424 A CB -0.202 18.916 19.000 0.195 0.000 0.800 424 A HN 0.793 nan 8.150 nan 0.000 0.453 425 E N -0.819 119.482 120.200 0.168 0.000 2.465 425 E HA 0.341 4.691 4.350 0.000 0.000 0.191 425 E C -0.115 176.643 176.600 0.263 0.000 1.053 425 E CA -0.155 56.358 56.400 0.188 0.000 0.869 425 E CB -0.001 29.811 29.700 0.188 0.000 0.977 425 E HN 0.506 nan 8.360 nan 0.000 0.483 426 L N 0.360 121.708 121.223 0.208 0.000 4.560 426 L HA -0.276 4.064 4.340 0.000 0.000 0.415 426 L C 0.322 177.297 176.870 0.175 0.000 1.123 426 L CA 0.410 55.366 54.840 0.194 0.000 0.991 426 L CB -1.617 40.529 42.059 0.145 0.000 2.127 426 L HN 0.294 nan 8.230 nan 0.000 0.765 427 Q N -0.472 119.330 119.800 0.003 0.000 2.259 427 Q HA 0.549 4.890 4.340 0.000 0.000 0.249 427 Q C 0.836 176.718 176.000 -0.198 0.000 0.914 427 Q CA 0.608 56.191 55.803 -0.366 0.000 0.904 427 Q CB 1.722 30.177 28.738 -0.473 0.000 1.213 427 Q HN 0.319 nan 8.270 nan 0.000 0.428 428 A N 4.193 126.864 122.820 -0.247 0.000 2.013 428 A HA 0.282 4.602 4.320 0.000 0.000 0.204 428 A C 0.499 178.008 177.584 -0.126 0.000 1.262 428 A CA 0.370 52.334 52.037 -0.121 0.000 0.800 428 A CB 0.560 19.504 19.000 -0.094 0.000 0.909 428 A HN 0.717 nan 8.150 nan 0.000 0.472 429 R N -1.812 118.567 120.500 -0.202 0.000 2.762 429 R HA 0.378 4.718 4.340 0.000 0.000 0.271 429 R C -1.015 175.149 176.300 -0.226 0.000 1.038 429 R CA -0.636 55.372 56.100 -0.153 0.000 0.906 429 R CB 1.113 31.365 30.300 -0.080 0.000 1.259 429 R HN 0.174 nan 8.270 nan 0.000 0.457 430 S N 1.665 117.280 115.700 -0.142 0.000 2.629 430 S HA -0.027 4.444 4.470 0.000 0.000 0.302 430 S C 0.240 174.765 174.600 -0.126 0.000 1.244 430 S CA 0.785 58.904 58.200 -0.134 0.000 1.098 430 S CB -0.436 62.734 63.200 -0.050 0.000 0.858 430 S HN 0.748 nan 8.310 nan 0.000 0.502 431 N N -0.001 118.551 118.700 -0.246 0.000 2.828 431 N HA -0.177 4.563 4.740 0.000 0.000 0.248 431 N C -0.381 175.084 175.510 -0.075 0.000 1.044 431 N CA 1.018 54.032 53.050 -0.060 0.000 0.851 431 N CB -1.140 37.492 38.487 0.242 0.000 1.136 431 N HN 0.676 nan 8.380 nan 0.000 0.572 432 I N -3.270 117.058 120.570 -0.404 0.000 2.447 432 I HA 0.506 4.676 4.170 0.000 0.000 0.287 432 I C -0.174 175.719 176.117 -0.372 0.000 1.023 432 I CA -0.688 60.483 61.300 -0.215 0.000 1.083 432 I CB 0.911 38.818 38.000 -0.156 0.000 1.245 432 I HN -0.035 nan 8.210 nan 0.000 0.434 433 W N 4.420 125.653 121.300 -0.113 0.000 2.671 433 W HA 0.750 5.410 4.660 0.000 0.000 0.360 433 W C -0.881 175.543 176.519 -0.160 0.000 1.128 433 W CA -0.841 56.441 57.345 -0.105 0.000 1.184 433 W CB 2.424 31.830 29.460 -0.090 0.000 1.415 433 W HN 0.233 nan 8.180 nan 0.000 0.604 434 V N 0.641 120.611 119.914 0.093 0.000 2.841 434 V HA 0.799 4.919 4.120 0.000 0.000 0.310 434 V C -0.305 175.789 176.094 0.000 0.000 1.090 434 V CA -0.901 61.389 62.300 -0.018 0.000 0.930 434 V CB 1.148 32.942 31.823 -0.049 0.000 1.014 434 V HN 0.649 nan 8.190 nan 0.000 0.425 435 A N 2.083 124.879 122.820 -0.041 0.000 2.569 435 A HA 1.046 5.366 4.320 0.000 0.000 0.290 435 A C 0.287 177.828 177.584 -0.072 0.000 1.136 435 A CA 0.002 51.965 52.037 -0.124 0.000 0.710 435 A CB 1.479 20.345 19.000 -0.223 0.000 1.303 435 A HN 2.450 nan 8.150 nan 0.000 0.413 436 G N 0.325 109.013 108.800 -0.186 0.000 2.562 436 G HA2 -0.178 3.782 3.960 0.000 0.000 0.250 436 G HA3 -0.178 3.782 3.960 0.000 0.000 0.250 436 G C 0.219 175.258 174.900 0.232 0.000 1.269 436 G CA 0.742 45.826 45.100 -0.027 0.000 0.919 436 G HN 0.841 nan 8.290 nan 0.000 0.574 437 D N 0.404 120.915 120.400 0.185 0.000 2.221 437 D HA 0.090 4.730 4.640 0.000 0.000 0.204 437 D C 2.636 179.041 176.300 0.175 0.000 0.982 437 D CA 2.144 56.249 54.000 0.175 0.000 0.857 437 D CB -0.541 40.334 40.800 0.126 0.000 0.934 437 D HN 0.929 nan 8.370 nan 0.000 0.475 438 A N 0.008 122.944 122.820 0.193 0.000 2.167 438 A HA 0.325 4.645 4.320 0.000 0.000 0.214 438 A C 1.250 179.031 177.584 0.328 0.000 1.151 438 A CA 0.694 52.887 52.037 0.259 0.000 0.735 438 A CB -0.090 19.107 19.000 0.329 0.000 0.802 438 A HN 0.189 nan 8.150 nan 0.000 0.467 439 A N -0.856 122.146 122.820 0.304 0.000 2.301 439 A HA 0.467 4.787 4.320 0.000 0.000 0.298 439 A C -0.048 177.742 177.584 0.343 0.000 1.185 439 A CA -0.237 52.003 52.037 0.339 0.000 0.830 439 A CB 0.124 19.307 19.000 0.304 0.000 1.112 439 A HN 0.708 nan 8.150 nan 0.000 0.508 440 C N 5.291 124.757 119.300 0.278 0.000 2.239 440 C HA 0.796 5.256 4.460 0.000 0.000 0.325 440 C C -0.327 174.789 174.990 0.210 0.000 1.231 440 C CA -1.007 58.109 59.018 0.164 0.000 1.652 440 C CB -2.116 25.698 27.740 0.122 0.000 2.284 440 C HN 0.726 nan 8.230 nan 0.000 0.499 441 F N 3.839 123.834 119.950 0.075 0.000 2.594 441 F HA 0.601 5.128 4.527 0.000 0.000 0.335 441 F C -0.993 174.896 175.800 0.147 0.000 1.058 441 F CA -1.580 56.509 58.000 0.148 0.000 0.981 441 F CB 0.751 39.864 39.000 0.189 0.000 1.289 441 F HN 0.507 nan 8.300 nan 0.000 0.490 442 Y N 2.472 122.953 120.300 0.303 0.000 2.595 442 Y HA 0.207 4.757 4.550 0.000 0.000 0.347 442 Y C 0.188 176.273 175.900 0.308 0.000 1.025 442 Y CA -0.766 57.437 58.100 0.173 0.000 1.295 442 Y CB -0.306 38.267 38.460 0.188 0.000 1.147 442 Y HN 0.687 nan 8.280 nan 0.000 0.515 443 D N 4.840 125.183 120.400 -0.095 0.000 2.425 443 D HA -0.103 4.537 4.640 0.000 0.000 0.247 443 D C 1.360 177.728 176.300 0.113 0.000 1.147 443 D CA 0.101 54.179 54.000 0.130 0.000 0.879 443 D CB 1.008 41.745 40.800 -0.105 0.000 1.179 443 D HN 0.770 nan 8.370 nan 0.000 0.456 444 I N 4.586 125.296 120.570 0.232 0.000 2.236 444 I HA -0.290 3.880 4.170 0.000 0.000 0.249 444 I C 1.660 177.827 176.117 0.083 0.000 1.102 444 I CA 1.748 63.151 61.300 0.171 0.000 1.365 444 I CB 0.104 38.135 38.000 0.052 0.000 1.051 444 I HN 0.322 nan 8.210 nan 0.000 0.420 445 K N -1.084 119.327 120.400 0.018 0.000 2.350 445 K HA 0.239 4.559 4.320 0.000 0.000 0.196 445 K C 1.626 178.187 176.600 -0.066 0.000 1.084 445 K CA 0.414 56.692 56.287 -0.014 0.000 0.967 445 K CB -0.035 32.456 32.500 -0.016 0.000 0.950 445 K HN 0.234 nan 8.250 nan 0.000 0.512 446 L N 0.087 121.225 121.223 -0.142 0.000 2.590 446 L HA 0.236 4.576 4.340 0.000 0.000 0.227 446 L C 0.888 177.533 176.870 -0.375 0.000 1.099 446 L CA 0.829 55.539 54.840 -0.217 0.000 0.872 446 L CB -0.289 41.638 42.059 -0.220 0.000 1.088 446 L HN 0.388 nan 8.230 nan 0.000 0.479 447 G N -0.147 108.268 108.800 -0.643 0.000 2.681 447 G HA2 -0.230 3.730 3.960 0.000 0.000 0.220 447 G HA3 -0.230 3.730 3.960 0.000 0.000 0.220 447 G C -0.271 174.056 174.900 -0.954 0.000 1.353 447 G CA -0.812 43.608 45.100 -1.133 0.000 0.872 447 G HN 0.062 nan 8.290 nan 0.000 0.557 448 R N 0.751 120.845 120.500 -0.677 0.000 2.481 448 R HA 0.236 4.576 4.340 0.000 0.000 0.291 448 R C 1.059 176.866 176.300 -0.821 0.000 0.934 448 R CA 1.490 57.315 56.100 -0.458 0.000 1.116 448 R CB -0.203 30.058 30.300 -0.065 0.000 0.895 448 R HN 1.121 nan 8.270 nan 0.000 0.410 449 R N 0.977 120.946 120.500 -0.884 0.000 2.774 449 R HA 0.450 4.790 4.340 0.000 0.000 0.279 449 R C -1.569 174.232 176.300 -0.832 0.000 1.022 449 R CA -0.996 54.487 56.100 -1.028 0.000 0.855 449 R CB 1.262 31.012 30.300 -0.915 0.000 1.279 449 R HN 0.698 nan 8.270 nan 0.000 0.485 450 R N 1.367 121.547 120.500 -0.533 0.000 2.740 450 R HA 0.808 5.148 4.340 0.000 0.000 0.273 450 R C -1.839 174.327 176.300 -0.222 0.000 0.998 450 R CA -0.923 55.027 56.100 -0.251 0.000 0.900 450 R CB 2.558 32.822 30.300 -0.059 0.000 1.223 450 R HN 0.355 nan 8.270 nan 0.000 0.466 451 V N 1.071 120.891 119.914 -0.157 0.000 3.114 451 V HA 0.405 4.525 4.120 0.000 0.000 0.308 451 V C -1.193 174.772 176.094 -0.215 0.000 1.168 451 V CA -0.702 61.396 62.300 -0.337 0.000 1.015 451 V CB 2.651 34.179 31.823 -0.492 0.000 1.050 451 V HN 0.960 nan 8.190 nan 0.000 0.433 452 E N 3.182 123.233 120.200 -0.248 0.000 2.916 452 E HA 0.427 4.777 4.350 0.000 0.000 0.217 452 E C -1.339 175.393 176.600 0.221 0.000 1.100 452 E CA -0.179 56.232 56.400 0.018 0.000 0.891 452 E CB 0.611 30.339 29.700 0.047 0.000 1.311 452 E HN 0.721 nan 8.360 nan 0.000 0.421 453 H N 0.159 119.374 119.070 0.242 0.000 2.667 453 H HA 0.158 4.714 4.556 0.000 0.000 0.353 453 H C 0.662 176.175 175.328 0.308 0.000 1.072 453 H CA -0.818 55.422 56.048 0.320 0.000 1.214 453 H CB 1.875 31.855 29.762 0.364 0.000 1.600 453 H HN 0.389 nan 8.280 nan 0.000 0.527 454 H N 2.557 121.815 119.070 0.313 0.000 2.352 454 H HA -0.187 4.369 4.556 0.000 0.000 0.299 454 H C 1.221 176.746 175.328 0.328 0.000 1.097 454 H CA 2.381 58.598 56.048 0.282 0.000 1.311 454 H CB 0.351 30.288 29.762 0.292 0.000 1.377 454 H HN 0.781 nan 8.280 nan 0.000 0.504 455 D N -0.507 120.184 120.400 0.485 0.000 2.092 455 D HA -0.204 4.436 4.640 0.000 0.000 0.193 455 D C 2.320 178.800 176.300 0.301 0.000 0.994 455 D CA 1.783 56.018 54.000 0.392 0.000 0.828 455 D CB -0.535 40.547 40.800 0.471 0.000 0.963 455 D HN 0.481 nan 8.370 nan 0.000 0.450 456 H N -0.188 119.077 119.070 0.325 0.000 2.353 456 H HA -0.097 4.459 4.556 0.000 0.000 0.298 456 H C 1.785 177.135 175.328 0.037 0.000 1.103 456 H CA 2.549 58.737 56.048 0.234 0.000 1.293 456 H CB -0.530 29.357 29.762 0.209 0.000 1.372 456 H HN 0.163 nan 8.280 nan 0.000 0.501 457 A N -0.044 122.710 122.820 -0.110 0.000 1.902 457 A HA -0.114 4.206 4.320 0.000 0.000 0.217 457 A C 2.762 180.180 177.584 -0.276 0.000 1.181 457 A CA 1.790 53.678 52.037 -0.249 0.000 0.623 457 A CB -0.951 17.985 19.000 -0.107 0.000 0.818 457 A HN 0.336 nan 8.150 nan 0.000 0.443 458 V N -0.279 119.492 119.914 -0.239 0.000 2.261 458 V HA -0.239 3.881 4.120 0.000 0.000 0.246 458 V C 2.583 178.558 176.094 -0.198 0.000 1.047 458 V CA 2.116 64.288 62.300 -0.214 0.000 1.015 458 V CB -0.947 30.781 31.823 -0.158 0.000 0.642 458 V HN 0.375 nan 8.190 nan 0.000 0.446 459 V N 1.016 120.829 119.914 -0.169 0.000 2.358 459 V HA -0.211 3.909 4.120 0.000 0.000 0.246 459 V C 2.706 178.714 176.094 -0.143 0.000 1.047 459 V CA 2.234 64.442 62.300 -0.153 0.000 1.035 459 V CB -0.918 30.757 31.823 -0.247 0.000 0.658 459 V HN 0.745 nan 8.190 nan 0.000 0.452 460 S N 1.006 116.494 115.700 -0.354 0.000 2.387 460 S HA -0.043 4.427 4.470 0.000 0.000 0.226 460 S C 2.099 176.453 174.600 -0.411 0.000 1.026 460 S CA 1.261 59.081 58.200 -0.635 0.000 0.972 460 S CB -0.743 61.731 63.200 -1.210 0.000 0.814 460 S HN 0.514 nan 8.310 nan 0.000 0.477 461 G N 1.949 110.538 108.800 -0.350 0.000 2.418 461 G HA2 -0.184 3.776 3.960 0.000 0.000 0.217 461 G HA3 -0.184 3.776 3.960 0.000 0.000 0.217 461 G C 1.575 176.323 174.900 -0.253 0.000 1.158 461 G CA 0.682 45.620 45.100 -0.269 0.000 0.771 461 G HN 0.571 nan 8.290 nan 0.000 0.545 462 R N -0.387 119.972 120.500 -0.234 0.000 2.081 462 R HA -0.013 4.327 4.340 0.000 0.000 0.235 462 R C 2.427 178.602 176.300 -0.208 0.000 1.131 462 R CA 1.409 57.379 56.100 -0.216 0.000 0.960 462 R CB -0.388 29.804 30.300 -0.179 0.000 0.856 462 R HN 0.343 nan 8.270 nan 0.000 0.436 463 L N 0.626 121.742 121.223 -0.177 0.000 2.093 463 L HA 0.028 4.368 4.340 0.000 0.000 0.208 463 L C 2.218 178.960 176.870 -0.212 0.000 1.085 463 L CA 2.015 56.768 54.840 -0.146 0.000 0.755 463 L CB -0.653 41.382 42.059 -0.040 0.000 0.904 463 L HN 0.253 nan 8.230 nan 0.000 0.435 464 A N -0.339 122.333 122.820 -0.248 0.000 1.877 464 A HA -0.091 4.229 4.320 0.000 0.000 0.216 464 A C 2.363 179.654 177.584 -0.489 0.000 1.186 464 A CA 1.627 53.467 52.037 -0.329 0.000 0.620 464 A CB -1.642 17.226 19.000 -0.220 0.000 0.822 464 A HN 0.518 nan 8.150 nan 0.000 0.443 465 G N -0.694 107.877 108.800 -0.382 0.000 2.440 465 G HA2 -0.286 3.674 3.960 0.000 0.000 0.218 465 G HA3 -0.286 3.674 3.960 0.000 0.000 0.218 465 G C 1.494 176.140 174.900 -0.423 0.000 1.154 465 G CA 1.155 46.008 45.100 -0.412 0.000 0.767 465 G HN 0.667 nan 8.290 nan 0.000 0.552 466 E N 0.439 120.438 120.200 -0.335 0.000 2.051 466 E HA -0.163 4.187 4.350 0.000 0.000 0.192 466 E C 2.332 178.761 176.600 -0.284 0.000 0.991 466 E CA 1.047 57.285 56.400 -0.270 0.000 0.799 466 E CB -0.044 29.538 29.700 -0.196 0.000 0.748 466 E HN 0.291 nan 8.360 nan 0.000 0.449 467 N N 0.214 118.702 118.700 -0.353 0.000 2.223 467 N HA -0.135 4.605 4.740 0.000 0.000 0.185 467 N C 1.736 176.862 175.510 -0.640 0.000 1.016 467 N CA 1.093 53.932 53.050 -0.353 0.000 0.863 467 N CB -0.199 38.164 38.487 -0.207 0.000 0.983 467 N HN 0.286 nan 8.380 nan 0.000 0.429 468 M N 0.084 119.085 119.600 -0.998 0.000 2.358 468 M HA -0.084 4.397 4.480 0.000 0.000 0.264 468 M C 1.560 177.732 176.300 -0.212 0.000 1.064 468 M CA 1.298 56.039 55.300 -0.930 0.000 1.093 468 M CB -0.356 31.852 32.600 -0.655 0.000 1.401 468 M HN 0.192 nan 8.290 nan 0.000 0.440 469 T N -3.616 110.819 114.554 -0.197 0.000 3.107 469 T HA 0.372 4.722 4.350 0.000 0.000 0.249 469 T C 1.277 175.970 174.700 -0.012 0.000 1.096 469 T CA 0.556 62.633 62.100 -0.038 0.000 1.012 469 T CB 0.328 69.129 68.868 -0.113 0.000 0.977 469 T HN 0.567 nan 8.240 nan 0.000 0.527 470 G N 0.172 108.955 108.800 -0.030 0.000 2.183 470 G HA2 -0.029 3.931 3.960 0.000 0.000 0.168 470 G HA3 -0.029 3.931 3.960 0.000 0.000 0.168 470 G C 1.003 175.916 174.900 0.022 0.000 1.008 470 G CA -0.058 45.064 45.100 0.037 0.000 0.677 470 G HN 0.827 nan 8.290 nan 0.000 0.498 471 A N 0.406 123.212 122.820 -0.023 0.000 2.015 471 A HA 0.585 4.906 4.320 0.000 0.000 0.219 471 A C 2.454 180.037 177.584 -0.003 0.000 1.163 471 A CA 2.360 54.380 52.037 -0.029 0.000 0.646 471 A CB -0.601 18.357 19.000 -0.070 0.000 0.806 471 A HN 2.467 nan 8.150 nan 0.000 0.448 472 A N -1.311 121.534 122.820 0.042 0.000 2.799 472 A HA -0.218 4.102 4.320 0.000 0.000 0.287 472 A C 0.334 177.923 177.584 0.008 0.000 1.484 472 A CA 1.547 53.625 52.037 0.069 0.000 0.813 472 A CB -2.250 16.788 19.000 0.063 0.000 1.009 472 A HN 0.607 nan 8.150 nan 0.000 0.545 473 K N 0.364 120.745 120.400 -0.032 0.000 2.144 473 K HA 0.502 4.822 4.320 0.000 0.000 0.270 473 K C -2.433 174.089 176.600 -0.130 0.000 1.005 473 K CA -1.653 54.561 56.287 -0.121 0.000 0.932 473 K CB 0.981 33.392 32.500 -0.149 0.000 1.021 473 K HN 0.328 nan 8.250 nan 0.000 0.462 474 P HA -0.005 nan 4.420 nan 0.000 0.284 474 P C -1.339 175.798 177.300 -0.270 0.000 1.253 474 P CA -0.322 62.599 63.100 -0.298 0.000 0.800 474 P CB 0.448 31.806 31.700 -0.569 0.000 0.961 475 Y N 2.885 123.147 120.300 -0.063 0.000 2.613 475 Y HA 0.209 4.759 4.550 0.000 0.000 0.354 475 Y C -0.187 175.906 175.900 0.321 0.000 1.063 475 Y CA -0.151 57.992 58.100 0.072 0.000 1.384 475 Y CB -0.052 38.478 38.460 0.116 0.000 1.199 475 Y HN 0.379 nan 8.280 nan 0.000 0.517 476 W N 3.968 125.212 121.300 -0.093 0.000 3.123 476 W HA 0.114 4.774 4.660 0.000 0.000 0.383 476 W C 0.208 176.606 176.519 -0.203 0.000 1.102 476 W CA -0.764 56.528 57.345 -0.089 0.000 1.865 476 W CB -1.147 28.315 29.460 0.003 0.000 1.111 476 W HN 0.573 nan 8.180 nan 0.000 0.621 477 H N 1.207 120.000 119.070 -0.460 0.000 2.732 477 H HA 0.153 4.709 4.556 0.000 0.000 0.351 477 H C 0.116 175.331 175.328 -0.188 0.000 1.090 477 H CA 0.972 56.822 56.048 -0.331 0.000 1.431 477 H CB 0.853 30.364 29.762 -0.418 0.000 1.447 477 H HN -0.039 nan 8.280 nan 0.000 0.582 478 Q N 3.314 122.782 119.800 -0.553 0.000 2.421 478 Q HA 0.153 4.494 4.340 0.000 0.000 0.242 478 Q C -0.481 175.227 176.000 -0.486 0.000 1.024 478 Q CA -0.523 55.076 55.803 -0.340 0.000 0.891 478 Q CB 1.155 29.789 28.738 -0.174 0.000 1.222 478 Q HN 0.578 nan 8.270 nan 0.000 0.483 479 S N 4.002 119.661 115.700 -0.069 0.000 2.488 479 S HA 0.249 4.719 4.470 0.000 0.000 0.278 479 S C 0.167 174.895 174.600 0.212 0.000 1.259 479 S CA -0.542 57.803 58.200 0.243 0.000 1.061 479 S CB 0.130 63.676 63.200 0.577 0.000 0.910 479 S HN 0.576 nan 8.310 nan 0.000 0.491 480 M N 4.705 124.413 119.600 0.180 0.000 2.283 480 M HA 0.697 5.177 4.480 0.000 0.000 0.314 480 M C -0.822 175.448 176.300 -0.049 0.000 1.153 480 M CA -0.552 54.801 55.300 0.089 0.000 1.084 480 M CB 0.737 33.421 32.600 0.141 0.000 1.468 480 M HN 0.580 nan 8.290 nan 0.000 0.474 481 F N 1.722 121.507 119.950 -0.276 0.000 2.588 481 F HA 0.821 5.348 4.527 0.000 0.000 0.310 481 F C -2.011 173.777 175.800 -0.020 0.000 1.082 481 F CA -0.678 57.100 58.000 -0.369 0.000 0.929 481 F CB 1.585 40.181 39.000 -0.674 0.000 1.254 481 F HN 0.929 nan 8.300 nan 0.000 0.455 482 W N 3.590 124.177 121.300 -1.188 0.000 3.083 482 W HA 0.766 5.426 4.660 0.000 0.000 0.333 482 W C -2.044 173.813 176.519 -1.103 0.000 1.217 482 W CA -1.256 55.588 57.345 -0.835 0.000 1.170 482 W CB 1.238 30.517 29.460 -0.301 0.000 1.437 482 W HN 0.715 nan 8.180 nan 0.000 0.557 483 S N 1.908 117.342 115.700 -0.444 0.000 2.546 483 S HA 0.450 4.921 4.470 0.000 0.000 0.272 483 S C -1.980 172.812 174.600 0.320 0.000 1.140 483 S CA -0.608 57.460 58.200 -0.220 0.000 0.920 483 S CB 1.225 64.377 63.200 -0.080 0.000 1.083 483 S HN 0.483 nan 8.310 nan 0.000 0.476 484 D N 2.809 123.419 120.400 0.349 0.000 2.256 484 D HA 0.434 5.074 4.640 0.000 0.000 0.246 484 D C -0.533 175.977 176.300 0.349 0.000 1.042 484 D CA -0.260 53.975 54.000 0.393 0.000 0.841 484 D CB 1.601 42.697 40.800 0.493 0.000 1.223 484 D HN 0.529 nan 8.370 nan 0.000 0.470 485 L N 2.226 123.631 121.223 0.302 0.000 2.506 485 L HA 0.524 4.864 4.340 0.000 0.000 0.247 485 L C 0.851 177.797 176.870 0.126 0.000 1.141 485 L CA -0.489 54.516 54.840 0.275 0.000 0.973 485 L CB 0.295 42.560 42.059 0.343 0.000 1.319 485 L HN 0.590 nan 8.230 nan 0.000 0.455 486 G N 2.713 111.503 108.800 -0.017 0.000 2.796 486 G HA2 -0.174 3.787 3.960 0.000 0.000 0.571 486 G HA3 -0.174 3.787 3.960 0.000 0.000 0.571 486 G C -2.295 172.005 174.900 -1.000 0.000 1.370 486 G CA -0.494 44.311 45.100 -0.491 0.000 0.856 486 G HN 0.380 nan 8.290 nan 0.000 0.538 487 P HA 0.108 nan 4.420 nan 0.000 0.242 487 P C 0.301 177.214 177.300 -0.645 0.000 1.197 487 P CA 1.351 63.560 63.100 -1.485 0.000 0.765 487 P CB 0.207 31.223 31.700 -1.140 0.000 0.936 488 D N -0.666 119.513 120.400 -0.367 0.000 2.407 488 D HA 0.111 4.751 4.640 0.000 0.000 0.208 488 D C 0.334 176.602 176.300 -0.053 0.000 1.083 488 D CA 0.302 54.205 54.000 -0.162 0.000 0.844 488 D CB 1.138 41.898 40.800 -0.067 0.000 0.967 488 D HN 0.075 nan 8.370 nan 0.000 0.506 489 V N 0.349 120.249 119.914 -0.024 0.000 2.623 489 V HA 0.774 4.894 4.120 0.000 0.000 0.304 489 V C 0.204 176.335 176.094 0.061 0.000 1.054 489 V CA -0.994 61.347 62.300 0.070 0.000 0.882 489 V CB 2.121 34.103 31.823 0.265 0.000 1.002 489 V HN 0.059 nan 8.190 nan 0.000 0.424 490 G N 2.793 111.594 108.800 0.002 0.000 2.682 490 G HA2 0.740 4.700 3.960 0.000 0.000 0.300 490 G HA3 0.740 4.700 3.960 0.000 0.000 0.300 490 G C -1.989 172.860 174.900 -0.084 0.000 1.391 490 G CA -0.484 44.712 45.100 0.161 0.000 0.990 490 G HN 0.430 nan 8.290 nan 0.000 0.501 491 Y N -0.039 120.430 120.300 0.281 0.000 2.524 491 Y HA 0.691 5.241 4.550 0.000 0.000 0.344 491 Y C 0.416 176.365 175.900 0.081 0.000 1.012 491 Y CA -0.962 57.260 58.100 0.203 0.000 1.068 491 Y CB 2.382 41.041 38.460 0.332 0.000 1.249 491 Y HN 0.467 nan 8.280 nan 0.000 0.468 492 E N 0.757 121.063 120.200 0.177 0.000 2.367 492 E HA 0.862 5.212 4.350 0.000 0.000 0.273 492 E C -1.462 175.200 176.600 0.103 0.000 0.903 492 E CA -1.307 55.155 56.400 0.103 0.000 0.764 492 E CB 2.768 32.491 29.700 0.038 0.000 1.252 492 E HN 0.689 nan 8.360 nan 0.000 0.446 493 A N 1.742 124.624 122.820 0.102 0.000 2.515 493 A HA 0.805 5.126 4.320 0.000 0.000 0.298 493 A C -1.684 175.921 177.584 0.036 0.000 1.059 493 A CA -0.486 51.591 52.037 0.068 0.000 0.698 493 A CB 1.333 20.383 19.000 0.082 0.000 1.289 493 A HN 0.453 nan 8.150 nan 0.000 0.404 494 I N 0.499 121.073 120.570 0.007 0.000 2.722 494 I HA 0.681 4.851 4.170 0.000 0.000 0.292 494 I C 0.434 176.549 176.117 -0.004 0.000 1.267 494 I CA 1.370 62.682 61.300 0.019 0.000 1.036 494 I CB 1.878 39.898 38.000 0.034 0.000 1.281 494 I HN 2.307 nan 8.210 nan 0.000 0.423 495 G N 5.152 113.957 108.800 0.009 0.000 2.525 495 G HA2 -0.176 3.784 3.960 0.000 0.000 0.248 495 G HA3 -0.176 3.784 3.960 0.000 0.000 0.248 495 G C -1.159 173.698 174.900 -0.071 0.000 1.238 495 G CA -0.071 45.019 45.100 -0.017 0.000 0.926 495 G HN 1.189 nan 8.290 nan 0.000 0.574 496 L N 1.082 122.251 121.223 -0.091 0.000 2.261 496 L HA 0.626 4.966 4.340 0.000 0.000 0.289 496 L C 0.606 177.310 176.870 -0.277 0.000 1.059 496 L CA -0.330 54.429 54.840 -0.135 0.000 0.816 496 L CB 0.933 42.945 42.059 -0.079 0.000 1.191 496 L HN 1.408 nan 8.230 nan 0.000 0.431 497 V N 1.938 121.625 119.914 -0.379 0.000 2.349 497 V HA 0.684 4.804 4.120 0.000 0.000 0.284 497 V C -0.965 174.871 176.094 -0.431 0.000 1.014 497 V CA -0.516 61.306 62.300 -0.797 0.000 0.826 497 V CB 1.286 32.696 31.823 -0.688 0.000 1.009 497 V HN 0.751 nan 8.190 nan 0.000 0.431 498 D N 3.735 123.984 120.400 -0.252 0.000 2.763 498 D HA 0.252 4.892 4.640 0.000 0.000 0.235 498 D C 1.033 177.433 176.300 0.167 0.000 1.334 498 D CA 0.350 54.342 54.000 -0.013 0.000 0.950 498 D CB 2.649 43.447 40.800 -0.004 0.000 1.433 498 D HN 0.660 nan 8.370 nan 0.000 0.580 499 S N 1.602 117.380 115.700 0.128 0.000 2.500 499 S HA -0.165 4.305 4.470 0.000 0.000 0.239 499 S C 1.534 176.178 174.600 0.074 0.000 0.989 499 S CA 1.247 59.523 58.200 0.127 0.000 0.951 499 S CB -0.294 62.922 63.200 0.028 0.000 0.759 499 S HN 0.374 nan 8.310 nan 0.000 0.523 500 S N 0.152 115.890 115.700 0.064 0.000 2.603 500 S HA 0.277 4.747 4.470 0.000 0.000 0.220 500 S C 0.383 175.018 174.600 0.058 0.000 0.967 500 S CA -0.450 57.776 58.200 0.044 0.000 0.920 500 S CB -0.486 62.730 63.200 0.027 0.000 0.773 500 S HN 0.295 nan 8.310 nan 0.000 0.529 501 L N 2.486 123.770 121.223 0.103 0.000 2.399 501 L HA 0.544 4.884 4.340 0.000 0.000 0.266 501 L C -2.327 174.580 176.870 0.062 0.000 1.114 501 L CA -2.241 52.662 54.840 0.105 0.000 0.804 501 L CB -0.170 42.000 42.059 0.185 0.000 1.146 501 L HN -0.012 nan 8.230 nan 0.000 0.451 502 P HA 0.215 nan 4.420 nan 0.000 0.268 502 P C -0.850 176.435 177.300 -0.025 0.000 1.205 502 P CA -0.172 62.938 63.100 0.015 0.000 0.771 502 P CB 0.372 32.087 31.700 0.026 0.000 0.858 503 T N -1.031 113.482 114.554 -0.069 0.000 2.901 503 T HA 0.692 5.042 4.350 0.000 0.000 0.293 503 T C -0.857 173.824 174.700 -0.032 0.000 1.084 503 T CA -0.820 61.184 62.100 -0.160 0.000 1.008 503 T CB 1.201 69.842 68.868 -0.378 0.000 1.170 503 T HN 0.073 nan 8.240 nan 0.000 0.509 504 V N 0.715 120.632 119.914 0.005 0.000 2.623 504 V HA 0.761 4.881 4.120 0.000 0.000 0.304 504 V C 0.425 176.555 176.094 0.060 0.000 1.054 504 V CA -0.515 61.834 62.300 0.082 0.000 0.882 504 V CB 1.753 33.650 31.823 0.123 0.000 1.002 504 V HN 1.339 nan 8.190 nan 0.000 0.424 505 G N 3.181 112.026 108.800 0.074 0.000 2.400 505 G HA2 0.685 4.645 3.960 0.000 0.000 0.333 505 G HA3 0.685 4.645 3.960 0.000 0.000 0.333 505 G C -1.294 173.474 174.900 -0.219 0.000 1.143 505 G CA -0.559 44.492 45.100 -0.082 0.000 0.914 505 G HN 0.601 nan 8.290 nan 0.000 0.480 506 V N 1.499 121.017 119.914 -0.659 0.000 2.525 506 V HA 0.589 4.709 4.120 0.000 0.000 0.299 506 V C -1.025 174.576 176.094 -0.821 0.000 1.034 506 V CA -0.644 61.390 62.300 -0.443 0.000 0.863 506 V CB 0.975 32.677 31.823 -0.202 0.000 0.999 506 V HN 0.616 nan 8.190 nan 0.000 0.423 507 F N 2.039 121.775 119.950 -0.355 0.000 2.618 507 F HA 0.981 5.508 4.527 0.000 0.000 0.332 507 F C 0.440 175.870 175.800 -0.618 0.000 1.061 507 F CA -0.515 57.183 58.000 -0.504 0.000 0.974 507 F CB 2.191 40.735 39.000 -0.759 0.000 1.310 507 F HN 0.685 nan 8.300 nan 0.000 0.491 508 A N 0.351 123.050 122.820 -0.203 0.000 2.557 508 A HA 0.643 4.963 4.320 0.000 0.000 0.292 508 A C -1.579 176.121 177.584 0.192 0.000 1.139 508 A CA -1.166 50.879 52.037 0.013 0.000 0.665 508 A CB 1.312 20.335 19.000 0.038 0.000 1.285 508 A HN 0.638 nan 8.150 nan 0.000 0.433 509 K N 0.674 121.210 120.400 0.227 0.000 2.237 509 K HA 0.543 4.863 4.320 0.000 0.000 0.270 509 K C 0.277 176.909 176.600 0.053 0.000 1.015 509 K CA 0.203 56.586 56.287 0.159 0.000 0.949 509 K CB 1.134 33.708 32.500 0.123 0.000 0.976 509 K HN 0.841 nan 8.250 nan 0.000 0.472 510 A N 1.926 124.744 122.820 -0.004 0.000 2.351 510 A HA 0.260 4.580 4.320 0.000 0.000 0.257 510 A C 0.414 177.989 177.584 -0.016 0.000 1.087 510 A CA -0.354 51.650 52.037 -0.054 0.000 0.798 510 A CB 0.186 19.116 19.000 -0.116 0.000 1.033 510 A HN 0.797 nan 8.150 nan 0.000 0.488 511 T N -1.928 112.616 114.554 -0.016 0.000 2.937 511 T HA 0.589 4.939 4.350 0.000 0.000 0.283 511 T C 1.254 175.946 174.700 -0.014 0.000 1.012 511 T CA -0.046 62.051 62.100 -0.006 0.000 0.997 511 T CB 1.196 70.064 68.868 0.001 0.000 1.136 511 T HN 1.278 nan 8.240 nan 0.000 0.551 512 A N -0.051 122.762 122.820 -0.013 0.000 2.032 512 A HA -0.109 4.211 4.320 0.000 0.000 0.221 512 A C 2.174 179.741 177.584 -0.029 0.000 1.165 512 A CA 1.546 53.570 52.037 -0.021 0.000 0.645 512 A CB -1.057 17.933 19.000 -0.018 0.000 0.807 512 A HN 0.754 nan 8.150 nan 0.000 0.453 513 Q N 0.492 120.282 119.800 -0.017 0.000 2.432 513 Q HA 0.007 4.347 4.340 0.000 0.000 0.205 513 Q C -0.150 175.856 176.000 0.011 0.000 0.945 513 Q CA 0.737 56.531 55.803 -0.014 0.000 0.924 513 Q CB 0.155 28.896 28.738 0.004 0.000 1.016 513 Q HN 0.592 nan 8.270 nan 0.000 0.503 514 D N 1.928 122.343 120.400 0.025 0.000 2.994 514 D HA 0.066 4.706 4.640 0.000 0.000 0.240 514 D C -0.327 176.052 176.300 0.131 0.000 1.195 514 D CA 0.068 54.130 54.000 0.104 0.000 0.957 514 D CB -0.578 40.218 40.800 -0.008 0.000 1.105 514 D HN 0.375 nan 8.370 nan 0.000 0.477 515 N N -1.411 117.315 118.700 0.043 0.000 2.823 515 N HA 0.176 4.916 4.740 0.000 0.000 0.251 515 N C -2.838 172.321 175.510 -0.586 0.000 1.392 515 N CA -1.354 51.652 53.050 -0.074 0.000 0.864 515 N CB 2.229 40.642 38.487 -0.123 0.000 1.481 515 N HN -0.361 nan 8.380 nan 0.000 0.508 516 P HA -0.093 nan 4.420 nan 0.000 0.219 516 P C 1.386 178.478 177.300 -0.346 0.000 1.150 516 P CA 1.443 64.170 63.100 -0.622 0.000 0.814 516 P CB 0.295 31.878 31.700 -0.196 0.000 0.787 517 K N -0.047 120.165 120.400 -0.313 0.000 2.032 517 K HA -0.124 4.197 4.320 0.000 0.000 0.209 517 K C 2.034 178.555 176.600 -0.132 0.000 1.048 517 K CA 1.987 58.185 56.287 -0.148 0.000 0.927 517 K CB -0.454 31.938 32.500 -0.180 0.000 0.712 517 K HN -0.034 nan 8.250 nan 0.000 0.441 518 S N 0.486 116.065 115.700 -0.200 0.000 2.368 518 S HA -0.109 4.362 4.470 0.000 0.000 0.224 518 S C 2.033 176.510 174.600 -0.206 0.000 1.029 518 S CA 1.051 59.152 58.200 -0.164 0.000 0.988 518 S CB -0.278 62.841 63.200 -0.136 0.000 0.838 518 S HN 0.534 nan 8.310 nan 0.000 0.462 519 A N 1.356 123.945 122.820 -0.384 0.000 1.940 519 A HA -0.134 4.187 4.320 0.000 0.000 0.219 519 A C 2.308 179.768 177.584 -0.207 0.000 1.176 519 A CA 2.078 53.901 52.037 -0.357 0.000 0.631 519 A CB -1.277 17.306 19.000 -0.695 0.000 0.814 519 A HN 0.474 nan 8.150 nan 0.000 0.446 520 T N -0.245 114.212 114.554 -0.163 0.000 2.821 520 T HA -0.105 4.245 4.350 0.000 0.000 0.267 520 T C 1.755 176.416 174.700 -0.065 0.000 1.046 520 T CA 1.568 63.618 62.100 -0.083 0.000 1.139 520 T CB -0.209 68.666 68.868 0.013 0.000 0.871 520 T HN 0.663 nan 8.240 nan 0.000 0.454 521 E N 1.046 121.210 120.200 -0.060 0.000 2.077 521 E HA -0.155 4.195 4.350 0.000 0.000 0.193 521 E C 2.501 179.071 176.600 -0.051 0.000 0.989 521 E CA 1.018 57.391 56.400 -0.046 0.000 0.800 521 E CB -0.099 29.576 29.700 -0.041 0.000 0.746 521 E HN 0.546 nan 8.360 nan 0.000 0.452 522 Q N -0.074 119.689 119.800 -0.063 0.000 2.119 522 Q HA -0.108 4.232 4.340 0.000 0.000 0.201 522 Q C 2.208 178.179 176.000 -0.049 0.000 0.972 522 Q CA 1.695 57.467 55.803 -0.051 0.000 0.847 522 Q CB 0.092 28.799 28.738 -0.051 0.000 0.903 522 Q HN 0.224 nan 8.270 nan 0.000 0.433 523 S N -2.126 113.537 115.700 -0.061 0.000 2.511 523 S HA 0.259 4.729 4.470 0.000 0.000 0.214 523 S C 1.433 175.998 174.600 -0.058 0.000 0.997 523 S CA 0.330 58.496 58.200 -0.057 0.000 0.908 523 S CB 0.952 64.110 63.200 -0.070 0.000 0.803 523 S HN 0.476 nan 8.310 nan 0.000 0.504 524 G N 0.512 109.275 108.800 -0.062 0.000 2.184 524 G HA2 -0.229 3.731 3.960 0.000 0.000 0.264 524 G HA3 -0.229 3.731 3.960 0.000 0.000 0.264 524 G C 0.131 174.984 174.900 -0.077 0.000 0.975 524 G CA 0.521 45.583 45.100 -0.063 0.000 0.642 524 G HN 1.005 nan 8.290 nan 0.000 0.536 525 T N -1.912 112.590 114.554 -0.086 0.000 2.906 525 T HA 0.643 4.993 4.350 0.000 0.000 0.295 525 T C 1.140 175.766 174.700 -0.124 0.000 1.075 525 T CA 0.642 62.684 62.100 -0.098 0.000 1.005 525 T CB 1.511 70.324 68.868 -0.091 0.000 1.136 525 T HN 0.966 nan 8.240 nan 0.000 0.498 526 G N 2.062 110.789 108.800 -0.121 0.000 3.159 526 G HA2 0.235 4.195 3.960 0.000 0.000 0.232 526 G HA3 0.235 4.195 3.960 0.000 0.000 0.232 526 G C 0.369 175.116 174.900 -0.255 0.000 1.116 526 G CA -0.161 44.842 45.100 -0.162 0.000 0.767 526 G HN 0.632 nan 8.290 nan 0.000 0.547 527 I N 1.770 122.182 120.570 -0.263 0.000 2.347 527 I HA 0.255 4.425 4.170 0.000 0.000 0.294 527 I C 1.408 176.995 176.117 -0.883 0.000 1.090 527 I CA -0.280 60.739 61.300 -0.468 0.000 1.314 527 I CB 1.272 39.154 38.000 -0.197 0.000 1.423 527 I HN 0.004 nan 8.210 nan 0.000 0.503 528 R N 4.090 123.455 120.500 -1.893 0.000 2.148 528 R HA -0.119 4.221 4.340 0.000 0.000 0.227 528 R C 2.220 178.130 176.300 -0.650 0.000 1.103 528 R CA 1.598 56.952 56.100 -1.243 0.000 0.983 528 R CB -0.132 29.276 30.300 -1.486 0.000 0.874 528 R HN 0.741 nan 8.270 nan 0.000 0.451 529 S N -0.539 114.817 115.700 -0.574 0.000 2.447 529 S HA -0.099 4.371 4.470 0.000 0.000 0.233 529 S C 1.538 176.121 174.600 -0.028 0.000 1.006 529 S CA 1.001 59.173 58.200 -0.046 0.000 0.957 529 S CB -0.125 63.241 63.200 0.276 0.000 0.773 529 S HN 0.414 nan 8.310 nan 0.000 0.507 530 E N 1.688 121.827 120.200 -0.101 0.000 2.076 530 E HA -0.066 4.284 4.350 0.000 0.000 0.190 530 E C 2.429 178.995 176.600 -0.056 0.000 0.979 530 E CA 1.276 57.653 56.400 -0.039 0.000 0.807 530 E CB -0.141 29.540 29.700 -0.031 0.000 0.761 530 E HN 0.790 nan 8.360 nan 0.000 0.454 531 S N 1.012 116.646 115.700 -0.110 0.000 2.414 531 S HA -0.070 4.400 4.470 0.000 0.000 0.227 531 S C 1.776 176.353 174.600 -0.039 0.000 1.022 531 S CA 0.516 58.669 58.200 -0.078 0.000 0.958 531 S CB -0.050 63.084 63.200 -0.109 0.000 0.797 531 S HN 0.068 nan 8.310 nan 0.000 0.493 532 E N 1.973 122.149 120.200 -0.040 0.000 2.150 532 E HA -0.002 4.348 4.350 0.000 0.000 0.193 532 E C 1.134 177.753 176.600 0.030 0.000 0.985 532 E CA 1.249 57.655 56.400 0.010 0.000 0.814 532 E CB -0.917 28.798 29.700 0.025 0.000 0.752 532 E HN 0.900 nan 8.360 nan 0.000 0.466 533 T N -1.889 112.683 114.554 0.029 0.000 0.541 533 T HA -0.213 4.138 4.350 0.000 0.000 0.774 533 T C 0.470 175.229 174.700 0.098 0.000 0.992 533 T CA 0.807 62.937 62.100 0.049 0.000 4.077 533 T CB -0.737 68.154 68.868 0.040 0.000 2.303 533 T HN 0.222 nan 8.240 nan 0.000 0.398 534 E N 0.489 120.756 120.200 0.111 0.000 2.489 534 E HA 0.222 4.572 4.350 0.000 0.000 0.193 534 E C 1.141 177.878 176.600 0.227 0.000 1.057 534 E CA 0.356 56.882 56.400 0.211 0.000 0.866 534 E CB 0.157 29.900 29.700 0.073 0.000 0.916 534 E HN 0.854 nan 8.360 nan 0.000 0.500 535 S N 0.431 116.209 115.700 0.129 0.000 2.632 535 S HA 0.208 4.679 4.470 0.000 0.000 0.267 535 S C 0.061 174.714 174.600 0.088 0.000 1.276 535 S CA -0.731 57.530 58.200 0.102 0.000 0.998 535 S CB 1.424 64.662 63.200 0.065 0.000 0.953 535 S HN -0.016 nan 8.310 nan 0.000 0.547 536 E N 0.440 120.684 120.200 0.073 0.000 2.183 536 E HA 0.559 4.909 4.350 0.000 0.000 0.271 536 E C -0.181 176.442 176.600 0.038 0.000 0.919 536 E CA -0.917 55.515 56.400 0.053 0.000 0.781 536 E CB 1.854 31.584 29.700 0.051 0.000 1.140 536 E HN 0.870 nan 8.360 nan 0.000 0.402 537 A N 1.642 124.476 122.820 0.024 0.000 2.520 537 A HA 0.015 4.335 4.320 0.000 0.000 0.235 537 A C 1.223 178.814 177.584 0.012 0.000 1.065 537 A CA 0.460 52.502 52.037 0.009 0.000 0.764 537 A CB 0.271 19.264 19.000 -0.013 0.000 1.002 537 A HN 0.737 nan 8.150 nan 0.000 0.502 538 S N 0.669 116.374 115.700 0.009 0.000 2.470 538 S HA 0.125 4.595 4.470 0.000 0.000 0.225 538 S C 0.448 175.052 174.600 0.007 0.000 1.006 538 S CA 0.933 59.140 58.200 0.011 0.000 0.934 538 S CB -0.140 63.067 63.200 0.011 0.000 0.778 538 S HN 0.775 nan 8.310 nan 0.000 0.517 539 E N -1.023 119.177 120.200 -0.000 0.000 2.430 539 E HA 0.476 4.826 4.350 0.000 0.000 0.279 539 E C 0.019 176.612 176.600 -0.011 0.000 1.003 539 E CA -0.639 55.760 56.400 -0.002 0.000 0.801 539 E CB 1.482 31.180 29.700 -0.003 0.000 1.313 539 E HN 0.035 nan 8.360 nan 0.000 0.459 540 I N 0.141 120.706 120.570 -0.008 0.000 2.956 540 I HA 0.005 4.175 4.170 0.000 0.000 0.233 540 I C -0.168 175.930 176.117 -0.032 0.000 1.054 540 I CA 0.709 61.997 61.300 -0.020 0.000 1.456 540 I CB 0.338 38.343 38.000 0.009 0.000 1.297 540 I HN 0.611 nan 8.210 nan 0.000 0.448 541 T N 3.883 118.427 114.554 -0.017 0.000 2.260 541 T HA -0.103 4.247 4.350 0.000 0.000 0.543 541 T C -0.220 174.463 174.700 -0.029 0.000 0.855 541 T CA -0.193 61.896 62.100 -0.018 0.000 2.888 541 T CB -1.154 67.703 68.868 -0.017 0.000 1.762 541 T HN 0.127 nan 8.240 nan 0.000 0.477 542 I N 4.731 125.289 120.570 -0.021 0.000 2.662 542 I HA 0.127 4.297 4.170 0.000 0.000 0.285 542 I C -0.833 175.277 176.117 -0.013 0.000 1.161 542 I CA -1.630 59.655 61.300 -0.025 0.000 1.415 542 I CB -0.430 37.562 38.000 -0.014 0.000 1.385 542 I HN 0.348 nan 8.210 nan 0.000 0.552 543 P HA 0.393 nan 4.420 nan 0.000 0.276 543 P C -2.581 174.742 177.300 0.039 0.000 1.261 543 P CA -1.407 61.702 63.100 0.015 0.000 0.800 543 P CB -0.396 31.320 31.700 0.028 0.000 1.066 544 P HA 0.164 nan 4.420 nan 0.000 0.274 544 P C -0.343 177.019 177.300 0.103 0.000 1.237 544 P CA -0.103 63.029 63.100 0.053 0.000 0.793 544 P CB 0.250 31.968 31.700 0.029 0.000 0.977 545 S N 0.336 116.095 115.700 0.097 0.000 2.572 545 S HA 0.397 4.867 4.470 0.000 0.000 0.279 545 S C 0.356 174.955 174.600 -0.002 0.000 1.341 545 S CA -0.472 57.815 58.200 0.144 0.000 1.043 545 S CB 0.241 63.505 63.200 0.105 0.000 0.887 545 S HN 0.588 nan 8.310 nan 0.000 0.516 546 A N 3.455 126.135 122.820 -0.234 0.000 2.386 546 A HA 0.527 4.847 4.320 0.000 0.000 0.248 546 A C -2.106 175.382 177.584 -0.161 0.000 1.082 546 A CA -1.256 50.576 52.037 -0.342 0.000 0.789 546 A CB -0.828 17.746 19.000 -0.711 0.000 1.025 546 A HN 0.577 nan 8.150 nan 0.000 0.490 547 P HA 0.330 nan 4.420 nan 0.000 0.267 547 P C -0.133 177.135 177.300 -0.054 0.000 1.200 547 P CA 0.191 63.255 63.100 -0.060 0.000 0.772 547 P CB 0.424 32.094 31.700 -0.050 0.000 0.855 548 A N 2.307 125.112 122.820 -0.026 0.000 2.445 548 A HA 0.315 4.635 4.320 0.000 0.000 0.242 548 A C -0.160 177.417 177.584 -0.011 0.000 1.075 548 A CA -0.259 51.771 52.037 -0.012 0.000 0.777 548 A CB 0.035 19.037 19.000 0.002 0.000 1.013 548 A HN 0.378 nan 8.150 nan 0.000 0.493 549 V N 4.539 124.452 119.914 -0.002 0.000 2.328 549 V HA 0.257 4.378 4.120 0.000 0.000 0.278 549 V C -2.192 173.907 176.094 0.009 0.000 1.021 549 V CA -1.396 60.904 62.300 0.001 0.000 0.838 549 V CB 0.898 32.724 31.823 0.004 0.000 0.999 549 V HN 0.799 nan 8.190 nan 0.000 0.447 550 P HA 0.075 nan 4.420 nan 0.000 0.258 550 P C -0.453 176.853 177.300 0.011 0.000 1.172 550 P CA 0.516 63.621 63.100 0.008 0.000 0.762 550 P CB 0.124 31.827 31.700 0.005 0.000 0.764 551 Q N 1.071 120.879 119.800 0.014 0.000 2.534 551 Q HA 0.617 4.957 4.340 0.000 0.000 0.290 551 Q C -0.841 175.167 176.000 0.012 0.000 0.991 551 Q CA -1.303 54.509 55.803 0.015 0.000 0.783 551 Q CB 1.183 29.934 28.738 0.023 0.000 1.470 551 Q HN 0.188 nan 8.270 nan 0.000 0.406 552 V N -2.439 117.480 119.914 0.010 0.000 3.083 552 V HA 0.506 4.626 4.120 0.000 0.000 0.306 552 V C -2.312 173.785 176.094 0.005 0.000 1.077 552 V CA -1.884 60.419 62.300 0.006 0.000 1.073 552 V CB -0.209 31.616 31.823 0.003 0.000 1.081 552 V HN 0.694 nan 8.190 nan 0.000 0.474 553 P HA 0.099 nan 4.420 nan 0.000 0.258 553 P C -0.238 177.055 177.300 -0.013 0.000 1.172 553 P CA 0.339 63.438 63.100 -0.001 0.000 0.762 553 P CB 0.351 32.048 31.700 -0.004 0.000 0.764 554 V N 4.222 124.130 119.914 -0.011 0.000 2.924 554 V HA 0.124 4.244 4.120 0.000 0.000 0.305 554 V C 0.333 176.363 176.094 -0.108 0.000 1.073 554 V CA 0.311 62.584 62.300 -0.045 0.000 1.098 554 V CB 0.731 32.554 31.823 0.001 0.000 1.000 554 V HN 0.501 nan 8.190 nan 0.000 0.484 555 E N 3.307 123.385 120.200 -0.204 0.000 2.416 555 E HA 0.368 4.718 4.350 0.000 0.000 0.273 555 E C 0.756 177.063 176.600 -0.489 0.000 0.935 555 E CA -0.070 56.185 56.400 -0.242 0.000 0.784 555 E CB 1.697 31.312 29.700 -0.142 0.000 1.301 555 E HN 0.668 nan 8.360 nan 0.000 0.454 556 G N 0.642 109.185 108.800 -0.427 0.000 2.462 556 G HA2 -0.278 3.683 3.960 0.000 0.000 0.220 556 G HA3 -0.278 3.683 3.960 0.000 0.000 0.220 556 G C 1.077 175.793 174.900 -0.307 0.000 1.121 556 G CA 0.850 45.639 45.100 -0.519 0.000 0.758 556 G HN 0.381 nan 8.290 nan 0.000 0.559 557 E N 0.770 120.874 120.200 -0.160 0.000 2.204 557 E HA -0.047 4.303 4.350 0.000 0.000 0.195 557 E C 1.828 178.435 176.600 0.012 0.000 0.990 557 E CA 1.044 57.437 56.400 -0.012 0.000 0.821 557 E CB 0.026 29.724 29.700 -0.003 0.000 0.750 557 E HN 0.376 nan 8.360 nan 0.000 0.477 558 D N -0.641 119.699 120.400 -0.100 0.000 2.363 558 D HA -0.083 4.557 4.640 0.000 0.000 0.220 558 D C -0.062 176.303 176.300 0.108 0.000 0.994 558 D CA 0.342 54.334 54.000 -0.015 0.000 0.890 558 D CB -0.004 40.768 40.800 -0.046 0.000 0.906 558 D HN 0.310 nan 8.370 nan 0.000 0.530 559 Y N 0.076 120.445 120.300 0.115 0.000 2.411 559 Y HA 0.281 4.831 4.550 0.000 0.000 0.333 559 Y C 1.806 177.800 175.900 0.157 0.000 1.186 559 Y CA -0.446 57.741 58.100 0.146 0.000 1.381 559 Y CB 1.267 39.829 38.460 0.169 0.000 1.273 559 Y HN -0.120 nan 8.280 nan 0.000 0.546 560 G N 1.971 110.865 108.800 0.157 0.000 3.581 560 G HA2 0.190 4.150 3.960 0.000 0.000 0.248 560 G HA3 0.190 4.150 3.960 0.000 0.000 0.248 560 G C -0.562 173.747 174.900 -0.985 0.000 1.037 560 G CA -0.358 44.572 45.100 -0.283 0.000 0.902 560 G HN 0.586 nan 8.290 nan 0.000 0.512 561 K N -1.365 118.670 120.400 -0.609 0.000 2.578 561 K HA 0.780 5.100 4.320 0.000 0.000 0.287 561 K C -0.613 175.992 176.600 0.009 0.000 1.010 561 K CA -0.538 55.392 56.287 -0.595 0.000 0.889 561 K CB 1.567 33.824 32.500 -0.405 0.000 1.514 561 K HN 0.566 nan 8.250 nan 0.000 0.424 562 G N -0.237 108.537 108.800 -0.044 0.000 2.328 562 G HA2 0.420 4.380 3.960 0.000 0.000 0.295 562 G HA3 0.420 4.380 3.960 0.000 0.000 0.295 562 G C -2.119 172.515 174.900 -0.445 0.000 1.413 562 G CA -0.255 44.650 45.100 -0.325 0.000 0.817 562 G HN 0.797 nan 8.290 nan 0.000 0.546 563 V N 0.094 119.582 119.914 -0.709 0.000 2.656 563 V HA 0.833 4.953 4.120 0.000 0.000 0.307 563 V C -0.916 174.669 176.094 -0.847 0.000 1.051 563 V CA -0.986 60.836 62.300 -0.797 0.000 0.893 563 V CB 1.443 32.623 31.823 -1.072 0.000 0.999 563 V HN 0.701 nan 8.190 nan 0.000 0.426 564 I N 6.888 127.059 120.570 -0.665 0.000 2.389 564 I HA 0.445 4.615 4.170 0.000 0.000 0.288 564 I C -0.955 174.877 176.117 -0.476 0.000 0.999 564 I CA -0.257 60.748 61.300 -0.491 0.000 1.129 564 I CB 1.629 39.486 38.000 -0.238 0.000 1.288 564 I HN 0.489 nan 8.210 nan 0.000 0.444 565 F N 5.433 125.272 119.950 -0.186 0.000 2.411 565 F HA 0.391 4.919 4.527 0.000 0.000 0.350 565 F C -0.300 175.414 175.800 -0.142 0.000 1.114 565 F CA -0.483 57.467 58.000 -0.082 0.000 1.135 565 F CB 0.721 39.675 39.000 -0.076 0.000 1.120 565 F HN 0.277 nan 8.300 nan 0.000 0.495 566 Y N 4.041 124.431 120.300 0.149 0.000 2.328 566 Y HA 0.590 5.141 4.550 0.000 0.000 0.337 566 Y C -0.297 175.658 175.900 0.093 0.000 1.008 566 Y CA -0.879 57.275 58.100 0.089 0.000 1.129 566 Y CB 0.983 39.469 38.460 0.045 0.000 1.185 566 Y HN 0.319 nan 8.280 nan 0.000 0.476 567 L N 4.402 125.730 121.223 0.175 0.000 2.365 567 L HA 0.668 5.008 4.340 0.000 0.000 0.273 567 L C -0.345 176.578 176.870 0.088 0.000 1.000 567 L CA -0.957 53.953 54.840 0.116 0.000 0.819 567 L CB 2.036 44.139 42.059 0.072 0.000 1.284 567 L HN 0.473 nan 8.230 nan 0.000 0.418 568 R N 2.647 123.189 120.500 0.069 0.000 2.388 568 R HA 0.455 4.795 4.340 0.000 0.000 0.314 568 R C -1.166 175.153 176.300 0.032 0.000 0.959 568 R CA -0.529 55.598 56.100 0.046 0.000 0.851 568 R CB 1.740 32.063 30.300 0.039 0.000 1.168 568 R HN 0.950 nan 8.270 nan 0.000 0.472 569 D N 0.994 121.406 120.400 0.021 0.000 5.683 569 D HA -0.179 4.461 4.640 0.000 0.000 0.307 569 D C -0.688 175.615 176.300 0.006 0.000 2.378 569 D CA 0.355 54.361 54.000 0.010 0.000 1.434 569 D CB -0.051 40.753 40.800 0.006 0.000 1.073 569 D HN 0.455 nan 8.370 nan 0.000 1.218 570 K N -0.755 119.645 120.400 -0.001 0.000 2.458 570 K HA 0.319 4.639 4.320 0.000 0.000 0.194 570 K C -0.204 176.400 176.600 0.007 0.000 1.024 570 K CA 0.260 56.544 56.287 -0.005 0.000 1.108 570 K CB 0.326 32.813 32.500 -0.021 0.000 0.846 570 K HN 0.266 nan 8.250 nan 0.000 0.518 571 V N 1.932 121.856 119.914 0.017 0.000 2.465 571 V HA 0.094 4.214 4.120 0.000 0.000 0.279 571 V C 0.264 176.405 176.094 0.079 0.000 1.045 571 V CA -0.907 61.416 62.300 0.039 0.000 0.938 571 V CB 1.598 33.432 31.823 0.019 0.000 0.986 571 V HN -0.144 nan 8.190 nan 0.000 0.467 572 V N 6.085 126.070 119.914 0.118 0.000 2.427 572 V HA 0.087 4.207 4.120 0.000 0.000 0.268 572 V C 0.963 177.139 176.094 0.138 0.000 1.046 572 V CA 0.342 62.734 62.300 0.154 0.000 0.970 572 V CB 1.171 33.106 31.823 0.187 0.000 1.001 572 V HN 0.852 nan 8.190 nan 0.000 0.476 573 V N 1.960 121.956 119.914 0.137 0.000 3.661 573 V HA 0.673 4.793 4.120 0.000 0.000 0.271 573 V C 0.736 176.876 176.094 0.075 0.000 1.315 573 V CA 0.728 63.081 62.300 0.088 0.000 1.072 573 V CB 0.125 31.985 31.823 0.062 0.000 0.830 573 V HN 0.854 nan 8.190 nan 0.000 0.443 574 G N -0.251 108.629 108.800 0.133 0.000 2.703 574 G HA2 0.720 4.680 3.960 0.000 0.000 0.294 574 G HA3 0.720 4.680 3.960 0.000 0.000 0.294 574 G C -1.813 173.195 174.900 0.180 0.000 1.451 574 G CA -0.654 44.479 45.100 0.055 0.000 0.869 574 G HN 0.143 nan 8.290 nan 0.000 0.516 575 I N 0.364 120.980 120.570 0.076 0.000 2.686 575 I HA 0.513 4.683 4.170 0.000 0.000 0.295 575 I C -0.680 175.447 176.117 0.018 0.000 1.114 575 I CA -1.119 60.221 61.300 0.068 0.000 1.038 575 I CB 2.726 40.692 38.000 -0.056 0.000 1.238 575 I HN 0.267 nan 8.210 nan 0.000 0.420 576 V N 6.607 126.562 119.914 0.068 0.000 2.495 576 V HA 0.512 4.632 4.120 0.000 0.000 0.298 576 V C -0.444 175.610 176.094 -0.067 0.000 1.031 576 V CA -0.522 61.825 62.300 0.078 0.000 0.871 576 V CB 2.065 34.040 31.823 0.254 0.000 0.988 576 V HN 0.422 nan 8.190 nan 0.000 0.432 577 L N 4.100 125.291 121.223 -0.053 0.000 2.322 577 L HA 0.525 4.865 4.340 0.000 0.000 0.281 577 L C -1.270 175.599 176.870 -0.000 0.000 1.014 577 L CA -0.330 54.414 54.840 -0.161 0.000 0.815 577 L CB 1.935 43.832 42.059 -0.269 0.000 1.247 577 L HN 0.721 nan 8.230 nan 0.000 0.421 578 W N 5.359 126.513 121.300 -0.243 0.000 2.318 578 W HA 0.374 5.034 4.660 0.000 0.000 0.315 578 W C 0.253 176.574 176.519 -0.330 0.000 1.033 578 W CA -0.728 56.467 57.345 -0.250 0.000 1.275 578 W CB 0.600 29.984 29.460 -0.126 0.000 1.250 578 W HN 0.567 nan 8.180 nan 0.000 0.421 579 N N 3.353 121.651 118.700 -0.669 0.000 2.735 579 N HA -0.187 4.553 4.740 0.000 0.000 0.248 579 N C -1.284 173.836 175.510 -0.650 0.000 1.083 579 N CA 1.191 53.852 53.050 -0.649 0.000 0.703 579 N CB -1.533 36.523 38.487 -0.719 0.000 1.005 579 N HN 0.223 nan 8.380 nan 0.000 0.550 580 V N 1.237 120.606 119.914 -0.908 0.000 2.407 580 V HA 0.573 4.694 4.120 0.000 0.000 0.291 580 V C -0.040 175.567 176.094 -0.812 0.000 1.018 580 V CA -0.556 61.394 62.300 -0.583 0.000 0.842 580 V CB 1.070 32.704 31.823 -0.314 0.000 0.996 580 V HN 0.086 nan 8.190 nan 0.000 0.426 581 F N 2.802 122.734 119.950 -0.030 0.000 2.561 581 F HA 0.545 5.072 4.527 0.000 0.000 0.321 581 F C 1.030 176.825 175.800 -0.008 0.000 1.065 581 F CA -0.911 57.072 58.000 -0.028 0.000 0.934 581 F CB 1.544 40.510 39.000 -0.057 0.000 1.215 581 F HN 0.587 nan 8.300 nan 0.000 0.471 582 N N 1.122 119.919 118.700 0.162 0.000 2.754 582 N HA -0.191 4.550 4.740 0.000 0.000 0.248 582 N C 0.165 175.711 175.510 0.060 0.000 1.093 582 N CA 0.251 53.353 53.050 0.086 0.000 0.699 582 N CB -0.628 37.900 38.487 0.069 0.000 1.016 582 N HN 0.536 nan 8.380 nan 0.000 0.552 583 R N -0.476 120.071 120.500 0.079 0.000 2.549 583 R HA 0.227 4.568 4.340 0.000 0.000 0.361 583 R C 1.702 178.089 176.300 0.145 0.000 0.969 583 R CA -0.367 55.783 56.100 0.084 0.000 1.158 583 R CB -0.102 30.312 30.300 0.189 0.000 1.456 583 R HN 0.177 nan 8.270 nan 0.000 0.540 584 M N 2.075 121.742 119.600 0.113 0.000 2.159 584 M HA 0.015 4.495 4.480 0.000 0.000 0.263 584 M C -1.179 175.180 176.300 0.099 0.000 1.063 584 M CA 1.634 57.003 55.300 0.115 0.000 1.110 584 M CB -0.824 31.828 32.600 0.086 0.000 1.374 584 M HN -0.155 nan 8.290 nan 0.000 0.411 585 P HA -0.109 nan 4.420 nan 0.000 0.218 585 P C 1.509 178.830 177.300 0.036 0.000 1.149 585 P CA 1.227 64.357 63.100 0.051 0.000 0.817 585 P CB -0.294 31.427 31.700 0.035 0.000 0.785 586 I N -0.763 119.811 120.570 0.008 0.000 2.286 586 I HA -0.135 4.036 4.170 0.000 0.000 0.245 586 I C 2.196 178.361 176.117 0.081 0.000 1.104 586 I CA 1.517 62.787 61.300 -0.050 0.000 1.397 586 I CB -1.771 36.055 38.000 -0.290 0.000 1.072 586 I HN -0.081 nan 8.210 nan 0.000 0.417 587 A N 1.364 124.325 122.820 0.234 0.000 1.902 587 A HA -0.196 4.124 4.320 0.000 0.000 0.217 587 A C 2.486 180.171 177.584 0.168 0.000 1.181 587 A CA 1.346 53.574 52.037 0.319 0.000 0.623 587 A CB -0.633 18.535 19.000 0.280 0.000 0.818 587 A HN 0.308 nan 8.150 nan 0.000 0.443 588 R N -0.707 119.857 120.500 0.107 0.000 2.091 588 R HA -0.188 4.152 4.340 0.000 0.000 0.238 588 R C 2.287 178.624 176.300 0.061 0.000 1.136 588 R CA 1.797 57.933 56.100 0.061 0.000 0.959 588 R CB -0.213 30.106 30.300 0.032 0.000 0.856 588 R HN 0.470 nan 8.270 nan 0.000 0.437 589 K N 1.204 121.643 120.400 0.063 0.000 2.103 589 K HA -0.045 4.275 4.320 0.000 0.000 0.204 589 K C 1.738 178.383 176.600 0.075 0.000 1.052 589 K CA 1.211 57.529 56.287 0.052 0.000 0.945 589 K CB -0.129 32.390 32.500 0.032 0.000 0.722 589 K HN 0.111 nan 8.250 nan 0.000 0.443 590 I N 0.171 120.807 120.570 0.110 0.000 2.252 590 I HA -0.232 3.938 4.170 0.000 0.000 0.245 590 I C 2.043 178.249 176.117 0.148 0.000 1.102 590 I CA 1.137 62.526 61.300 0.149 0.000 1.385 590 I CB -0.189 37.917 38.000 0.177 0.000 1.064 590 I HN 0.097 nan 8.210 nan 0.000 0.414 591 I N 0.573 121.217 120.570 0.124 0.000 2.286 591 I HA -0.257 3.913 4.170 0.000 0.000 0.245 591 I C 2.572 178.724 176.117 0.058 0.000 1.104 591 I CA 1.078 62.435 61.300 0.096 0.000 1.397 591 I CB -0.264 37.783 38.000 0.079 0.000 1.072 591 I HN 0.111 nan 8.210 nan 0.000 0.417 592 K N 1.374 121.799 120.400 0.042 0.000 2.009 592 K HA -0.230 4.091 4.320 0.000 0.000 0.210 592 K C 1.637 178.240 176.600 0.005 0.000 1.049 592 K CA 1.981 58.274 56.287 0.011 0.000 0.929 592 K CB -0.291 32.210 32.500 0.002 0.000 0.714 592 K HN 0.191 nan 8.250 nan 0.000 0.440 593 D N -0.524 119.890 120.400 0.022 0.000 2.178 593 D HA -0.026 4.614 4.640 0.000 0.000 0.202 593 D C 0.903 177.201 176.300 -0.003 0.000 0.974 593 D CA 1.496 55.501 54.000 0.007 0.000 0.841 593 D CB -0.385 40.428 40.800 0.021 0.000 0.953 593 D HN 0.516 nan 8.370 nan 0.000 0.478 594 G N 1.709 110.521 108.800 0.021 0.000 2.305 594 G HA2 -0.346 3.615 3.960 0.000 0.000 0.287 594 G HA3 -0.346 3.615 3.960 0.000 0.000 0.287 594 G C 0.014 174.878 174.900 -0.059 0.000 1.036 594 G CA 0.458 45.559 45.100 0.003 0.000 0.887 594 G HN 0.362 nan 8.290 nan 0.000 0.505 595 E N 0.016 120.144 120.200 -0.121 0.000 2.373 595 E HA 0.339 4.689 4.350 0.000 0.000 0.267 595 E C 1.096 177.427 176.600 -0.448 0.000 1.032 595 E CA -0.213 56.002 56.400 -0.308 0.000 0.889 595 E CB 0.244 29.678 29.700 -0.443 0.000 0.984 595 E HN 0.633 nan 8.360 nan 0.000 0.425 596 Q N 3.906 123.507 119.800 -0.332 0.000 2.349 596 Q HA 0.194 4.534 4.340 0.000 0.000 0.254 596 Q C -0.784 175.026 176.000 -0.316 0.000 0.980 596 Q CA -0.566 55.085 55.803 -0.254 0.000 0.924 596 Q CB 0.818 29.488 28.738 -0.113 0.000 1.209 596 Q HN 0.468 nan 8.270 nan 0.000 0.445 597 H N 2.616 121.637 119.070 -0.083 0.000 2.646 597 H HA 0.056 4.612 4.556 0.000 0.000 0.325 597 H C -0.014 175.259 175.328 -0.091 0.000 1.075 597 H CA -0.082 55.906 56.048 -0.100 0.000 1.421 597 H CB 1.248 30.916 29.762 -0.158 0.000 1.461 597 H HN 0.804 nan 8.280 nan 0.000 0.525 598 E N 0.917 121.133 120.200 0.027 0.000 2.285 598 E HA -0.073 4.277 4.350 0.000 0.000 0.194 598 E C -0.074 176.523 176.600 -0.005 0.000 0.997 598 E CA 0.642 57.041 56.400 -0.000 0.000 0.845 598 E CB 0.535 30.230 29.700 -0.009 0.000 0.782 598 E HN 0.418 nan 8.360 nan 0.000 0.491 599 D N -0.319 120.075 120.400 -0.009 0.000 2.386 599 D HA 0.113 4.753 4.640 0.000 0.000 0.247 599 D C 0.270 176.525 176.300 -0.076 0.000 1.336 599 D CA -0.214 53.768 54.000 -0.030 0.000 0.976 599 D CB 0.978 41.770 40.800 -0.014 0.000 1.257 599 D HN -0.043 nan 8.370 nan 0.000 0.570 600 L N 2.824 123.978 121.223 -0.114 0.000 2.376 600 L HA -0.023 4.317 4.340 0.000 0.000 0.219 600 L C 1.599 178.430 176.870 -0.066 0.000 1.133 600 L CA 0.555 55.255 54.840 -0.233 0.000 0.816 600 L CB -0.142 41.713 42.059 -0.340 0.000 0.933 600 L HN 0.271 nan 8.230 nan 0.000 0.449 601 N N -0.421 118.270 118.700 -0.016 0.000 2.188 601 N HA -0.160 4.580 4.740 0.000 0.000 0.184 601 N C 1.770 177.275 175.510 -0.008 0.000 1.018 601 N CA 0.817 53.873 53.050 0.009 0.000 0.858 601 N CB 0.073 38.565 38.487 0.008 0.000 0.989 601 N HN 0.242 nan 8.380 nan 0.000 0.426 602 E N 0.333 120.518 120.200 -0.024 0.000 2.072 602 E HA -0.067 4.283 4.350 0.000 0.000 0.191 602 E C 2.065 178.641 176.600 -0.040 0.000 0.985 602 E CA 0.625 57.008 56.400 -0.029 0.000 0.801 602 E CB -0.302 29.386 29.700 -0.020 0.000 0.750 602 E HN 0.173 nan 8.360 nan 0.000 0.452 603 V N 1.865 121.738 119.914 -0.069 0.000 2.392 603 V HA -0.261 3.859 4.120 0.000 0.000 0.249 603 V C 2.469 178.653 176.094 0.150 0.000 1.059 603 V CA 1.751 64.010 62.300 -0.068 0.000 1.051 603 V CB -0.857 30.758 31.823 -0.347 0.000 0.658 603 V HN 0.243 nan 8.190 nan 0.000 0.455 604 A N -0.491 122.464 122.820 0.226 0.000 2.024 604 A HA -0.252 4.068 4.320 0.000 0.000 0.220 604 A C 2.248 179.872 177.584 0.066 0.000 1.164 604 A CA 1.798 53.994 52.037 0.266 0.000 0.643 604 A CB -0.462 18.603 19.000 0.108 0.000 0.806 604 A HN 0.564 nan 8.150 nan 0.000 0.451 605 K N -0.462 119.883 120.400 -0.092 0.000 2.209 605 K HA -0.046 4.275 4.320 0.000 0.000 0.204 605 K C 1.558 178.038 176.600 -0.200 0.000 1.048 605 K CA 1.089 57.201 56.287 -0.291 0.000 0.940 605 K CB -0.358 32.002 32.500 -0.232 0.000 0.729 605 K HN 0.513 nan 8.250 nan 0.000 0.451 606 L N -0.312 120.807 121.223 -0.175 0.000 2.265 606 L HA -0.119 4.221 4.340 0.000 0.000 0.215 606 L C 1.248 177.804 176.870 -0.523 0.000 1.117 606 L CA 0.984 55.615 54.840 -0.349 0.000 0.782 606 L CB -0.164 41.605 42.059 -0.484 0.000 0.914 606 L HN 0.092 nan 8.230 nan 0.000 0.441 607 F N -0.940 118.957 119.950 -0.088 0.000 2.645 607 F HA 0.155 4.682 4.527 0.000 0.000 0.300 607 F C 1.045 176.786 175.800 -0.098 0.000 1.115 607 F CA -0.316 57.624 58.000 -0.099 0.000 1.355 607 F CB -0.486 38.431 39.000 -0.139 0.000 1.026 607 F HN 0.052 nan 8.300 nan 0.000 0.536 608 N N 1.340 120.035 118.700 -0.009 0.000 2.735 608 N HA -0.196 4.545 4.740 0.000 0.000 0.248 608 N C -0.970 174.571 175.510 0.051 0.000 1.083 608 N CA 0.312 53.404 53.050 0.071 0.000 0.703 608 N CB -1.062 37.498 38.487 0.121 0.000 1.005 608 N HN 0.074 nan 8.380 nan 0.000 0.550 609 I N 1.519 122.010 120.570 -0.131 0.000 2.328 609 I HA 0.275 4.445 4.170 0.000 0.000 0.287 609 I C 0.753 176.725 176.117 -0.242 0.000 1.012 609 I CA -0.280 60.956 61.300 -0.107 0.000 1.195 609 I CB 0.840 38.767 38.000 -0.122 0.000 1.350 609 I HN 0.167 nan 8.210 nan 0.000 0.464 610 H N 0.000 119.072 119.070 0.004 0.000 2.539 610 H HA 0.000 4.556 4.556 0.000 0.000 0.296 610 H CA 0.000 56.057 56.048 0.015 0.000 1.023 610 H CB 0.000 29.772 29.762 0.017 0.000 1.292 610 H HN 0.000 nan 8.280 nan 0.000 0.496