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_A 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 0.007 0.000 1.349 121 T CB 0.000 68.872 68.868 0.007 0.000 0.612 122 V N 2.745 122.663 119.914 0.007 0.000 3.130 122 V HA 0.779 4.899 4.120 0.001 0.000 0.310 122 V C -2.269 173.830 176.094 0.008 0.000 1.158 122 V CA -2.199 60.105 62.300 0.008 0.000 1.029 122 V CB 2.300 34.127 31.823 0.007 0.000 1.057 122 V HN 0.959 nan 8.190 nan 0.000 0.436 123 P HA 0.275 nan 4.420 nan 0.000 0.268 123 P C -1.322 175.984 177.300 0.010 0.000 1.204 123 P CA 0.019 63.125 63.100 0.010 0.000 0.768 123 P CB 0.200 31.906 31.700 0.010 0.000 0.842 124 Q N 1.987 121.793 119.800 0.011 0.000 2.501 124 Q HA 0.525 4.865 4.340 0.001 0.000 0.288 124 Q C -0.466 175.540 176.000 0.011 0.000 1.051 124 Q CA -1.106 54.703 55.803 0.010 0.000 0.788 124 Q CB 1.706 30.450 28.738 0.009 0.000 1.469 124 Q HN 0.378 nan 8.270 nan 0.000 0.416 125 I N -0.498 120.078 120.570 0.010 0.000 2.441 125 I HA 0.369 4.539 4.170 0.001 0.000 0.287 125 I C -0.156 175.968 176.117 0.012 0.000 1.049 125 I CA -0.772 60.534 61.300 0.011 0.000 1.381 125 I CB 0.096 38.101 38.000 0.009 0.000 1.409 125 I HN 0.474 nan 8.210 nan 0.000 0.523 126 R N 4.843 125.351 120.500 0.014 0.000 2.357 126 R HA 0.678 5.019 4.340 0.001 0.000 0.296 126 R C -0.046 176.263 176.300 0.015 0.000 1.052 126 R CA -0.655 55.455 56.100 0.016 0.000 0.988 126 R CB 0.697 31.009 30.300 0.020 0.000 1.025 126 R HN 0.789 nan 8.270 nan 0.000 0.469 127 A N 4.307 127.136 122.820 0.015 0.000 2.445 127 A HA 0.264 4.584 4.320 0.001 0.000 0.242 127 A C -1.850 175.746 177.584 0.020 0.000 1.075 127 A CA -1.167 50.879 52.037 0.015 0.000 0.777 127 A CB -0.401 18.608 19.000 0.014 0.000 1.013 127 A HN 0.530 nan 8.150 nan 0.000 0.493 128 P HA 0.210 nan 4.420 nan 0.000 0.267 128 P C -0.142 177.180 177.300 0.037 0.000 1.200 128 P CA 0.336 63.450 63.100 0.025 0.000 0.772 128 P CB 0.714 32.424 31.700 0.016 0.000 0.855 129 S N 0.815 116.547 115.700 0.054 0.000 2.671 129 S HA 0.659 5.129 4.470 0.001 0.000 0.277 129 S C -1.488 173.183 174.600 0.119 0.000 1.165 129 S CA -0.699 57.544 58.200 0.073 0.000 0.822 129 S CB 1.665 64.897 63.200 0.054 0.000 1.150 129 S HN 0.603 nan 8.310 nan 0.000 0.479 130 H N -1.049 118.030 119.070 0.015 0.000 2.717 130 H HA 0.814 5.371 4.556 0.001 0.000 0.366 130 H C -1.671 173.673 175.328 0.027 0.000 1.132 130 H CA -0.658 55.399 56.048 0.014 0.000 1.180 130 H CB 1.844 31.600 29.762 -0.010 0.000 1.678 130 H HN 0.718 nan 8.280 nan 0.000 0.537 131 V N 6.805 126.328 119.914 -0.650 0.000 2.808 131 V HA 0.306 4.426 4.120 0.001 0.000 0.308 131 V C -2.229 173.552 176.094 -0.521 0.000 1.099 131 V CA -2.136 59.922 62.300 -0.405 0.000 0.920 131 V CB 2.451 34.201 31.823 -0.122 0.000 1.014 131 V HN 0.779 nan 8.190 nan 0.000 0.425 132 P HA -0.006 nan 4.420 nan 0.000 0.214 132 P C -0.359 176.602 177.300 -0.566 0.000 1.163 132 P CA 1.490 64.327 63.100 -0.438 0.000 0.883 132 P CB 0.146 31.624 31.700 -0.370 0.000 0.788 133 F N -1.072 118.847 119.950 -0.051 0.000 2.434 133 F HA 0.369 4.896 4.527 0.000 0.000 0.355 133 F C -0.047 175.711 175.800 -0.069 0.000 1.115 133 F CA -1.083 56.882 58.000 -0.058 0.000 1.010 133 F CB 0.963 39.914 39.000 -0.082 0.000 1.234 133 F HN -0.252 nan 8.300 nan 0.000 0.439 134 L N 5.584 126.837 121.223 0.050 0.000 2.272 134 L HA 0.602 4.942 4.340 0.001 0.000 0.289 134 L C -1.173 175.661 176.870 -0.060 0.000 1.032 134 L CA -0.447 54.381 54.840 -0.021 0.000 0.810 134 L CB 0.862 42.872 42.059 -0.083 0.000 1.205 134 L HN 0.465 nan 8.230 nan 0.000 0.422 135 L N 6.957 128.163 121.223 -0.029 0.000 2.316 135 L HA 0.484 4.824 4.340 0.001 0.000 0.280 135 L C -0.498 176.353 176.870 -0.032 0.000 1.006 135 L CA -0.548 54.268 54.840 -0.041 0.000 0.836 135 L CB 1.408 43.453 42.059 -0.025 0.000 1.221 135 L HN 0.536 nan 8.230 nan 0.000 0.418 136 I N 3.618 124.156 120.570 -0.053 0.000 2.322 136 I HA 0.528 4.698 4.170 0.001 0.000 0.292 136 I C 0.818 176.931 176.117 -0.007 0.000 1.060 136 I CA 0.031 61.313 61.300 -0.029 0.000 1.309 136 I CB 0.746 38.718 38.000 -0.048 0.000 1.415 136 I HN 0.840 nan 8.210 nan 0.000 0.492 137 G N 3.887 112.693 108.800 0.011 0.000 2.770 137 G HA2 0.077 4.037 3.960 0.001 0.000 0.686 137 G HA3 0.077 4.037 3.960 0.001 0.000 0.686 137 G C -0.226 174.688 174.900 0.024 0.000 1.180 137 G CA -0.515 44.598 45.100 0.021 0.000 0.767 137 G HN 0.957 nan 8.290 nan 0.000 0.646 138 G N 0.494 109.311 108.800 0.028 0.000 5.001 138 G HA2 0.744 4.704 3.960 0.001 0.000 0.304 138 G HA3 0.744 4.704 3.960 0.001 0.000 0.304 138 G C 0.616 175.545 174.900 0.047 0.000 1.400 138 G CA 0.873 46.005 45.100 0.052 0.000 1.029 138 G HN 1.388 nan 8.290 nan 0.000 0.584 139 G N -0.219 108.602 108.800 0.036 0.000 2.890 139 G HA2 0.413 4.373 3.960 0.001 0.000 0.189 139 G HA3 0.413 4.373 3.960 0.001 0.000 0.189 139 G C 1.034 176.006 174.900 0.119 0.000 1.342 139 G CA 0.267 45.380 45.100 0.021 0.000 1.026 139 G HN 0.059 nan 8.290 nan 0.000 0.579 140 T N 0.811 115.434 114.554 0.115 0.000 2.821 140 T HA -0.001 4.349 4.350 0.001 0.000 0.267 140 T C 2.603 177.233 174.700 -0.116 0.000 1.046 140 T CA 1.814 63.939 62.100 0.041 0.000 1.139 140 T CB -0.279 68.634 68.868 0.076 0.000 0.871 140 T HN 0.523 nan 8.240 nan 0.000 0.454 141 A N 1.135 123.906 122.820 -0.081 0.000 1.930 141 A HA 0.402 4.722 4.320 0.001 0.000 0.215 141 A C 2.601 180.118 177.584 -0.111 0.000 1.176 141 A CA 1.366 53.324 52.037 -0.132 0.000 0.632 141 A CB -0.917 18.004 19.000 -0.132 0.000 0.819 141 A HN 0.464 nan 8.150 nan 0.000 0.445 142 A N -0.928 121.865 122.820 -0.046 0.000 1.902 142 A HA -0.064 4.257 4.320 0.001 0.000 0.217 142 A C 2.046 179.616 177.584 -0.025 0.000 1.181 142 A CA 1.591 53.611 52.037 -0.029 0.000 0.623 142 A CB -0.745 18.269 19.000 0.023 0.000 0.818 142 A HN 0.670 nan 8.150 nan 0.000 0.443 143 F N 0.935 120.810 119.950 -0.126 0.000 2.134 143 F HA -0.049 4.479 4.527 0.001 0.000 0.299 143 F C 2.464 178.122 175.800 -0.237 0.000 1.097 143 F CA 1.298 59.207 58.000 -0.150 0.000 1.264 143 F CB -0.282 38.563 39.000 -0.259 0.000 1.001 143 F HN 0.238 nan 8.300 nan 0.000 0.479 144 A N 0.224 122.908 122.820 -0.228 0.000 1.969 144 A HA 0.002 4.322 4.320 0.001 0.000 0.218 144 A C 2.346 179.741 177.584 -0.315 0.000 1.169 144 A CA 1.467 53.330 52.037 -0.290 0.000 0.635 144 A CB -1.431 17.429 19.000 -0.234 0.000 0.810 144 A HN 0.486 nan 8.150 nan 0.000 0.445 145 A N -0.169 122.487 122.820 -0.273 0.000 1.930 145 A HA 0.244 4.564 4.320 0.001 0.000 0.217 145 A C 2.458 179.859 177.584 -0.306 0.000 1.175 145 A CA 1.768 53.640 52.037 -0.275 0.000 0.627 145 A CB -0.860 18.003 19.000 -0.229 0.000 0.815 145 A HN 0.939 nan 8.150 nan 0.000 0.443 146 A N -0.095 122.543 122.820 -0.304 0.000 1.877 146 A HA -0.143 4.178 4.320 0.001 0.000 0.216 146 A C 2.234 179.616 177.584 -0.336 0.000 1.186 146 A CA 1.369 53.234 52.037 -0.287 0.000 0.620 146 A CB -0.449 18.434 19.000 -0.196 0.000 0.822 146 A HN 0.414 nan 8.150 nan 0.000 0.443 147 R N -0.312 119.911 120.500 -0.461 0.000 2.081 147 R HA -0.096 4.245 4.340 0.001 0.000 0.235 147 R C 2.569 178.703 176.300 -0.277 0.000 1.131 147 R CA 1.448 57.328 56.100 -0.368 0.000 0.960 147 R CB -1.140 28.887 30.300 -0.454 0.000 0.856 147 R HN 0.566 nan 8.270 nan 0.000 0.436 148 S N 0.881 116.406 115.700 -0.291 0.000 2.356 148 S HA -0.095 4.375 4.470 0.001 0.000 0.223 148 S C 2.098 176.527 174.600 -0.286 0.000 1.032 148 S CA 0.997 59.043 58.200 -0.257 0.000 1.005 148 S CB -0.144 62.901 63.200 -0.258 0.000 0.867 148 S HN 0.197 nan 8.310 nan 0.000 0.449 149 I N 1.279 121.629 120.570 -0.366 0.000 2.163 149 I HA -0.202 3.968 4.170 0.001 0.000 0.243 149 I C 2.870 178.756 176.117 -0.386 0.000 1.085 149 I CA 1.333 62.338 61.300 -0.493 0.000 1.347 149 I CB -0.352 37.205 38.000 -0.738 0.000 1.044 149 I HN 0.238 nan 8.210 nan 0.000 0.408 150 R N 0.618 120.935 120.500 -0.305 0.000 2.105 150 R HA -0.166 4.174 4.340 0.001 0.000 0.239 150 R C 2.361 178.564 176.300 -0.161 0.000 1.135 150 R CA 1.599 57.574 56.100 -0.209 0.000 0.967 150 R CB -0.561 29.643 30.300 -0.160 0.000 0.861 150 R HN 0.417 nan 8.270 nan 0.000 0.442 151 A N 0.816 123.539 122.820 -0.161 0.000 1.930 151 A HA -0.137 4.183 4.320 0.001 0.000 0.217 151 A C 2.099 179.612 177.584 -0.119 0.000 1.175 151 A CA 1.176 53.139 52.037 -0.123 0.000 0.627 151 A CB -0.180 18.749 19.000 -0.118 0.000 0.815 151 A HN 0.087 nan 8.150 nan 0.000 0.443 152 R N -0.464 119.945 120.500 -0.151 0.000 2.153 152 R HA 0.063 4.403 4.340 0.001 0.000 0.218 152 R C -0.234 176.002 176.300 -0.106 0.000 1.072 152 R CA 1.135 57.157 56.100 -0.131 0.000 0.990 152 R CB 0.089 30.290 30.300 -0.164 0.000 0.889 152 R HN 0.451 nan 8.270 nan 0.000 0.452 153 D N -0.280 120.045 120.400 -0.124 0.000 2.429 153 D HA 0.218 4.858 4.640 0.001 0.000 0.255 153 D C -2.749 173.507 176.300 -0.073 0.000 1.257 153 D CA -2.479 51.476 54.000 -0.075 0.000 0.890 153 D CB 1.033 41.795 40.800 -0.063 0.000 1.267 153 D HN -0.153 nan 8.370 nan 0.000 0.521 154 P HA 0.286 nan 4.420 nan 0.000 0.269 154 P C 0.999 178.280 177.300 -0.032 0.000 1.215 154 P CA 0.614 63.682 63.100 -0.053 0.000 0.780 154 P CB 0.794 32.470 31.700 -0.041 0.000 0.898 155 G N 0.413 109.193 108.800 -0.034 0.000 2.184 155 G HA2 -0.235 3.725 3.960 0.001 0.000 0.264 155 G HA3 -0.235 3.725 3.960 0.001 0.000 0.264 155 G C 0.513 175.421 174.900 0.012 0.000 0.975 155 G CA 0.107 45.200 45.100 -0.012 0.000 0.642 155 G HN 0.861 nan 8.290 nan 0.000 0.536 156 A N 0.031 122.852 122.820 0.002 0.000 2.520 156 A HA 0.587 4.907 4.320 0.001 0.000 0.235 156 A C 0.782 178.412 177.584 0.077 0.000 1.065 156 A CA 0.545 52.625 52.037 0.072 0.000 0.764 156 A CB 0.182 19.129 19.000 -0.089 0.000 1.002 156 A HN 0.556 nan 8.150 nan 0.000 0.502 157 R N 1.246 121.856 120.500 0.183 0.000 2.246 157 R HA 0.485 4.825 4.340 0.001 0.000 0.332 157 R C -1.428 174.987 176.300 0.192 0.000 0.974 157 R CA -0.378 55.796 56.100 0.123 0.000 0.837 157 R CB 1.452 31.801 30.300 0.082 0.000 1.145 157 R HN 0.435 nan 8.270 nan 0.000 0.467 158 V N 4.842 124.818 119.914 0.103 0.000 2.495 158 V HA 0.392 4.512 4.120 0.001 0.000 0.298 158 V C -0.788 175.350 176.094 0.073 0.000 1.031 158 V CA -0.945 61.417 62.300 0.104 0.000 0.871 158 V CB 1.912 33.735 31.823 -0.000 0.000 0.988 158 V HN 0.491 nan 8.190 nan 0.000 0.432 159 L N 6.371 127.637 121.223 0.072 0.000 2.333 159 L HA 0.676 5.017 4.340 0.001 0.000 0.280 159 L C -0.702 176.197 176.870 0.049 0.000 1.004 159 L CA 0.096 54.969 54.840 0.056 0.000 0.820 159 L CB 1.352 43.434 42.059 0.039 0.000 1.247 159 L HN 0.557 nan 8.230 nan 0.000 0.416 160 I N 5.562 126.167 120.570 0.058 0.000 2.359 160 I HA 0.431 4.601 4.170 0.001 0.000 0.294 160 I C -0.693 175.440 176.117 0.027 0.000 0.987 160 I CA -0.752 60.574 61.300 0.044 0.000 1.225 160 I CB 1.739 39.779 38.000 0.067 0.000 1.366 160 I HN 0.284 nan 8.210 nan 0.000 0.466 161 V N 5.193 125.120 119.914 0.022 0.000 2.448 161 V HA 0.458 4.578 4.120 0.001 0.000 0.295 161 V C -0.191 175.916 176.094 0.023 0.000 1.025 161 V CA -0.322 61.992 62.300 0.022 0.000 0.859 161 V CB 1.614 33.453 31.823 0.026 0.000 0.988 161 V HN 0.753 nan 8.190 nan 0.000 0.431 162 S N 2.224 117.938 115.700 0.022 0.000 2.575 162 S HA 0.341 4.811 4.470 0.001 0.000 0.278 162 S C 0.640 175.260 174.600 0.033 0.000 1.139 162 S CA -0.514 57.702 58.200 0.027 0.000 0.954 162 S CB 1.959 65.174 63.200 0.025 0.000 1.054 162 S HN 0.928 nan 8.310 nan 0.000 0.483 163 E N 2.675 122.898 120.200 0.038 0.000 2.077 163 E HA -0.110 4.240 4.350 0.001 0.000 0.193 163 E C -0.387 176.241 176.600 0.047 0.000 0.989 163 E CA 1.065 57.490 56.400 0.042 0.000 0.800 163 E CB 0.059 29.786 29.700 0.045 0.000 0.746 163 E HN 0.635 nan 8.360 nan 0.000 0.452 164 D N 0.374 120.808 120.400 0.056 0.000 2.389 164 D HA 0.022 4.663 4.640 0.001 0.000 0.247 164 D C -1.753 174.593 176.300 0.076 0.000 1.128 164 D CA -1.671 52.374 54.000 0.074 0.000 0.884 164 D CB 1.228 42.092 40.800 0.107 0.000 1.194 164 D HN 0.047 nan 8.370 nan 0.000 0.441 165 P HA -0.097 nan 4.420 nan 0.000 0.221 165 P C 0.024 177.373 177.300 0.081 0.000 1.145 165 P CA 0.882 64.018 63.100 0.060 0.000 0.795 165 P CB 0.350 32.080 31.700 0.050 0.000 0.775 166 E N 0.024 120.311 120.200 0.145 0.000 2.373 166 E HA 0.090 4.440 4.350 0.001 0.000 0.267 166 E C 0.543 177.271 176.600 0.214 0.000 1.032 166 E CA -0.268 56.268 56.400 0.226 0.000 0.889 166 E CB 0.541 30.470 29.700 0.381 0.000 0.984 166 E HN 0.179 nan 8.360 nan 0.000 0.425 167 L N 3.392 124.717 121.223 0.171 0.000 2.479 167 L HA 0.048 4.388 4.340 0.001 0.000 0.270 167 L C -1.928 175.138 176.870 0.326 0.000 1.236 167 L CA -1.499 53.409 54.840 0.114 0.000 0.823 167 L CB -0.442 41.618 42.059 0.002 0.000 1.098 167 L HN 0.212 nan 8.230 nan 0.000 0.500 168 P HA -0.006 nan 4.420 nan 0.000 0.262 168 P C -1.539 175.923 177.300 0.270 0.000 1.182 168 P CA 0.550 63.816 63.100 0.277 0.000 0.761 168 P CB 0.150 32.114 31.700 0.440 0.000 0.795 169 Y N 0.708 121.000 120.300 -0.013 0.000 2.597 169 Y HA 0.587 5.137 4.550 0.001 0.000 0.340 169 Y C -0.473 175.107 175.900 -0.533 0.000 1.097 169 Y CA -1.841 55.948 58.100 -0.519 0.000 1.037 169 Y CB 0.885 39.061 38.460 -0.473 0.000 1.305 169 Y HN 0.259 nan 8.280 nan 0.000 0.463 170 M N 2.166 121.402 119.600 -0.607 0.000 2.235 170 M HA 0.556 5.036 4.480 0.001 0.000 0.351 170 M C -0.182 176.159 176.300 0.068 0.000 1.178 170 M CA -0.322 54.905 55.300 -0.122 0.000 1.143 170 M CB 1.854 34.399 32.600 -0.091 0.000 1.530 170 M HN 0.924 nan 8.290 nan 0.000 0.461 171 R N 1.403 121.990 120.500 0.144 0.000 2.112 171 R HA 0.109 4.449 4.340 0.001 0.000 0.216 171 R C -0.877 175.443 176.300 0.034 0.000 1.080 171 R CA 0.550 56.732 56.100 0.137 0.000 0.996 171 R CB -1.523 28.875 30.300 0.162 0.000 0.902 171 R HN 0.592 nan 8.270 nan 0.000 0.449 172 P HA -0.145 nan 4.420 nan 0.000 0.218 172 P C -1.585 175.621 177.300 -0.157 0.000 1.154 172 P CA 1.757 64.804 63.100 -0.088 0.000 0.872 172 P CB -0.908 30.754 31.700 -0.063 0.000 0.790 173 P HA -0.072 nan 4.420 nan 0.000 0.225 173 P C 1.309 178.395 177.300 -0.358 0.000 1.148 173 P CA 0.956 63.684 63.100 -0.621 0.000 0.779 173 P CB -0.542 30.330 31.700 -1.381 0.000 0.780 174 L N -0.612 120.515 121.223 -0.161 0.000 2.131 174 L HA -0.134 4.207 4.340 0.001 0.000 0.210 174 L C 2.008 179.157 176.870 0.466 0.000 1.092 174 L CA 1.968 56.830 54.840 0.037 0.000 0.759 174 L CB -0.913 41.277 42.059 0.218 0.000 0.903 174 L HN 0.124 nan 8.230 nan 0.000 0.435 175 S N -2.626 113.299 115.700 0.375 0.000 2.540 175 S HA 0.192 4.662 4.470 0.001 0.000 0.218 175 S C 0.965 175.746 174.600 0.301 0.000 0.977 175 S CA -0.494 57.871 58.200 0.274 0.000 0.918 175 S CB 0.463 63.699 63.200 0.059 0.000 0.806 175 S HN 0.313 nan 8.310 nan 0.000 0.496 176 K N 1.187 121.775 120.400 0.313 0.000 4.563 176 K HA 0.355 4.675 4.320 0.001 0.000 0.275 176 K C 1.057 177.842 176.600 0.309 0.000 1.045 176 K CA -0.042 56.419 56.287 0.291 0.000 1.901 176 K CB -0.115 32.444 32.500 0.097 0.000 3.095 176 K HN -0.036 nan 8.250 nan 0.000 0.770 177 E N 1.796 121.888 120.200 -0.180 0.000 2.147 177 E HA -0.183 4.167 4.350 0.001 0.000 0.199 177 E C 1.772 178.420 176.600 0.080 0.000 1.005 177 E CA 1.203 57.465 56.400 -0.229 0.000 0.810 177 E CB -0.269 29.156 29.700 -0.457 0.000 0.736 177 E HN 0.237 nan 8.360 nan 0.000 0.460 178 L N -1.091 120.067 121.223 -0.108 0.000 2.353 178 L HA -0.151 4.190 4.340 0.001 0.000 0.220 178 L C 1.488 178.330 176.870 -0.047 0.000 1.133 178 L CA 0.854 55.548 54.840 -0.242 0.000 0.798 178 L CB -0.218 41.294 42.059 -0.911 0.000 0.922 178 L HN 0.292 nan 8.230 nan 0.000 0.445 179 W N -1.941 119.497 121.300 0.230 0.000 3.003 179 W HA 0.059 4.720 4.660 0.001 0.000 0.257 179 W C 0.634 177.214 176.519 0.102 0.000 1.308 179 W CA -0.380 57.093 57.345 0.213 0.000 1.529 179 W CB 0.125 29.666 29.460 0.134 0.000 1.115 179 W HN -0.088 nan 8.180 nan 0.000 0.659 180 F N 0.874 121.027 119.950 0.337 0.000 2.611 180 F HA 0.406 4.933 4.527 0.000 0.000 0.321 180 F C 0.393 176.322 175.800 0.215 0.000 1.208 180 F CA -0.246 57.941 58.000 0.312 0.000 1.249 180 F CB 0.061 39.337 39.000 0.459 0.000 1.514 180 F HN -0.419 nan 8.300 nan 0.000 0.561 181 S N -0.191 115.668 115.700 0.265 0.000 2.533 181 S HA 0.285 4.755 4.470 0.001 0.000 0.271 181 S C -0.027 174.650 174.600 0.127 0.000 1.143 181 S CA -0.633 57.678 58.200 0.186 0.000 0.891 181 S CB 1.218 64.507 63.200 0.148 0.000 1.105 181 S HN 0.292 nan 8.310 nan 0.000 0.468 182 D N 1.297 121.758 120.400 0.101 0.000 2.349 182 D HA 0.107 4.747 4.640 0.001 0.000 0.214 182 D C -0.387 175.944 176.300 0.052 0.000 1.063 182 D CA 0.230 54.273 54.000 0.071 0.000 0.847 182 D CB 0.340 41.179 40.800 0.065 0.000 0.933 182 D HN 0.469 nan 8.370 nan 0.000 0.513 183 D N 1.287 121.718 120.400 0.052 0.000 2.347 183 D HA 0.075 4.716 4.640 0.001 0.000 0.235 183 D C -1.361 174.957 176.300 0.030 0.000 1.149 183 D CA -2.009 52.013 54.000 0.036 0.000 0.850 183 D CB 1.888 42.708 40.800 0.032 0.000 1.061 183 D HN -0.072 nan 8.370 nan 0.000 0.487 184 P HA -0.115 nan 4.420 nan 0.000 0.221 184 P C 0.615 177.922 177.300 0.011 0.000 1.145 184 P CA 0.650 63.756 63.100 0.010 0.000 0.795 184 P CB 0.449 32.152 31.700 0.004 0.000 0.775 185 N N -0.240 118.469 118.700 0.014 0.000 2.459 185 N HA -0.043 4.697 4.740 0.001 0.000 0.181 185 N C 1.746 177.268 175.510 0.019 0.000 1.046 185 N CA 0.526 53.584 53.050 0.013 0.000 0.904 185 N CB -0.412 38.081 38.487 0.010 0.000 0.964 185 N HN 0.085 nan 8.380 nan 0.000 0.444 186 V N 0.836 120.765 119.914 0.025 0.000 2.490 186 V HA -0.170 3.950 4.120 0.001 0.000 0.250 186 V C 2.422 178.543 176.094 0.045 0.000 1.061 186 V CA 1.568 63.886 62.300 0.029 0.000 1.064 186 V CB -0.743 31.100 31.823 0.034 0.000 0.670 186 V HN 0.297 nan 8.190 nan 0.000 0.461 187 T N -1.093 113.502 114.554 0.069 0.000 2.881 187 T HA -0.180 4.170 4.350 0.001 0.000 0.270 187 T C 1.971 176.714 174.700 0.072 0.000 1.068 187 T CA 1.476 63.648 62.100 0.120 0.000 1.131 187 T CB -0.074 68.814 68.868 0.032 0.000 0.871 187 T HN 0.455 nan 8.240 nan 0.000 0.479 188 K N -0.047 120.375 120.400 0.037 0.000 2.067 188 K HA -0.005 4.315 4.320 0.001 0.000 0.203 188 K C 2.540 179.165 176.600 0.042 0.000 1.048 188 K CA 1.527 57.832 56.287 0.030 0.000 0.954 188 K CB 0.003 32.514 32.500 0.018 0.000 0.737 188 K HN 0.410 nan 8.250 nan 0.000 0.444 189 T N -1.118 113.458 114.554 0.038 0.000 3.054 189 T HA 0.024 4.374 4.350 0.001 0.000 0.259 189 T C 0.783 175.520 174.700 0.063 0.000 1.092 189 T CA -0.004 62.126 62.100 0.050 0.000 1.121 189 T CB 0.104 68.990 68.868 0.029 0.000 0.912 189 T HN 0.061 nan 8.240 nan 0.000 0.489 190 L N 0.314 121.547 121.223 0.018 0.000 4.232 190 L HA -0.125 4.215 4.340 0.001 0.000 0.415 190 L C -0.232 176.638 176.870 0.000 0.000 1.168 190 L CA 0.597 55.411 54.840 -0.044 0.000 0.966 190 L CB -2.318 39.655 42.059 -0.143 0.000 2.052 190 L HN 0.509 nan 8.230 nan 0.000 0.887 191 Q N 0.836 120.636 119.800 -0.000 0.000 2.553 191 Q HA 0.372 4.712 4.340 0.001 0.000 0.221 191 Q C 0.379 176.326 176.000 -0.087 0.000 1.219 191 Q CA -0.153 55.611 55.803 -0.066 0.000 0.955 191 Q CB -0.110 28.588 28.738 -0.067 0.000 1.399 191 Q HN 0.425 nan 8.270 nan 0.000 0.551 192 F N -0.270 119.589 119.950 -0.152 0.000 2.406 192 F HA 0.404 4.931 4.527 0.001 0.000 0.327 192 F C 0.402 176.122 175.800 -0.135 0.000 1.153 192 F CA -0.917 56.986 58.000 -0.162 0.000 1.218 192 F CB 0.716 39.579 39.000 -0.228 0.000 1.215 192 F HN 0.034 nan 8.300 nan 0.000 0.570 193 R N 3.116 123.635 120.500 0.030 0.000 2.202 193 R HA 0.188 4.528 4.340 0.001 0.000 0.334 193 R C -0.253 176.034 176.300 -0.022 0.000 1.036 193 R CA -0.454 55.618 56.100 -0.047 0.000 0.878 193 R CB 1.144 31.463 30.300 0.031 0.000 1.067 193 R HN 0.854 nan 8.270 nan 0.000 0.457 194 Q N 0.951 120.666 119.800 -0.142 0.000 2.584 194 Q HA -0.059 4.281 4.340 0.001 0.000 0.218 194 Q C 0.871 176.835 176.000 -0.060 0.000 1.079 194 Q CA 0.287 55.989 55.803 -0.168 0.000 1.008 194 Q CB 0.623 29.264 28.738 -0.163 0.000 1.267 194 Q HN 0.629 nan 8.270 nan 0.000 0.586 195 W N 0.585 121.875 121.300 -0.017 0.000 2.392 195 W HA -0.135 4.526 4.660 0.000 0.000 0.279 195 W C 1.656 178.148 176.519 -0.045 0.000 1.225 195 W CA 0.361 57.675 57.345 -0.052 0.000 1.233 195 W CB -0.038 29.363 29.460 -0.100 0.000 1.122 195 W HN 0.674 nan 8.180 nan 0.000 0.561 196 N N 0.431 119.217 118.700 0.144 0.000 2.370 196 N HA 0.098 4.838 4.740 0.001 0.000 0.198 196 N C 1.357 176.889 175.510 0.036 0.000 1.156 196 N CA 0.967 54.056 53.050 0.066 0.000 0.839 196 N CB -0.166 38.332 38.487 0.018 0.000 0.989 196 N HN 0.193 nan 8.380 nan 0.000 0.468 197 G N 0.082 108.909 108.800 0.046 0.000 2.234 197 G HA2 -0.353 3.608 3.960 0.001 0.000 0.260 197 G HA3 -0.353 3.608 3.960 0.001 0.000 0.260 197 G C -0.046 174.838 174.900 -0.027 0.000 0.987 197 G CA 0.419 45.533 45.100 0.023 0.000 0.625 197 G HN 0.652 nan 8.290 nan 0.000 0.532 198 K N 1.379 121.743 120.400 -0.059 0.000 2.276 198 K HA 0.422 4.742 4.320 0.001 0.000 0.283 198 K C 0.289 176.779 176.600 -0.183 0.000 1.044 198 K CA -0.370 55.856 56.287 -0.102 0.000 0.944 198 K CB 0.373 32.814 32.500 -0.098 0.000 1.012 198 K HN 0.394 nan 8.250 nan 0.000 0.472 199 E N 2.707 122.793 120.200 -0.190 0.000 2.366 199 E HA 0.104 4.454 4.350 0.001 0.000 0.266 199 E C -0.456 175.909 176.600 -0.392 0.000 1.051 199 E CA 0.011 56.242 56.400 -0.282 0.000 0.884 199 E CB 1.133 30.722 29.700 -0.185 0.000 1.006 199 E HN 0.376 nan 8.360 nan 0.000 0.417 200 R N 1.366 121.471 120.500 -0.657 0.000 2.626 200 R HA 0.218 4.558 4.340 0.001 0.000 0.274 200 R C -1.275 174.670 176.300 -0.591 0.000 1.031 200 R CA -0.499 55.220 56.100 -0.635 0.000 0.898 200 R CB 1.924 31.753 30.300 -0.786 0.000 1.222 200 R HN 0.500 nan 8.270 nan 0.000 0.455 201 S N 2.959 118.510 115.700 -0.249 0.000 2.528 201 S HA 0.126 4.596 4.470 0.001 0.000 0.277 201 S C 1.276 175.865 174.600 -0.019 0.000 1.297 201 S CA -0.568 57.585 58.200 -0.078 0.000 1.052 201 S CB 0.701 63.919 63.200 0.030 0.000 0.917 201 S HN 0.641 nan 8.310 nan 0.000 0.492 202 I N 5.113 125.664 120.570 -0.032 0.000 2.567 202 I HA -0.026 4.144 4.170 0.001 0.000 0.257 202 I C -0.410 175.446 176.117 -0.434 0.000 1.184 202 I CA 0.784 61.967 61.300 -0.196 0.000 1.451 202 I CB 0.026 37.742 38.000 -0.473 0.000 1.089 202 I HN 0.651 nan 8.210 nan 0.000 0.441 203 Y N -0.104 120.107 120.300 -0.148 0.000 2.359 203 Y HA 0.109 4.659 4.550 0.000 0.000 0.330 203 Y C 0.948 176.651 175.900 -0.328 0.000 1.143 203 Y CA -0.337 57.648 58.100 -0.193 0.000 1.318 203 Y CB 0.119 38.551 38.460 -0.046 0.000 1.234 203 Y HN -0.050 nan 8.280 nan 0.000 0.522 204 F N -0.226 119.658 119.950 -0.109 0.000 2.095 204 F HA -0.159 4.369 4.527 0.001 0.000 0.298 204 F C 1.017 176.580 175.800 -0.395 0.000 1.104 204 F CA 1.340 59.034 58.000 -0.510 0.000 1.232 204 F CB -0.104 37.977 39.000 -1.532 0.000 0.987 204 F HN 0.394 nan 8.300 nan 0.000 0.475 205 Q N -0.590 119.165 119.800 -0.075 0.000 2.421 205 Q HA 0.352 4.692 4.340 0.001 0.000 0.280 205 Q C -2.542 173.540 176.000 0.137 0.000 1.085 205 Q CA -1.943 53.822 55.803 -0.063 0.000 0.807 205 Q CB 2.279 30.753 28.738 -0.441 0.000 1.405 205 Q HN -0.089 nan 8.270 nan 0.000 0.419 206 P HA 0.290 nan 4.420 nan 0.000 0.279 206 P C -2.138 175.292 177.300 0.216 0.000 1.276 206 P CA -1.377 61.777 63.100 0.090 0.000 0.801 206 P CB 0.433 32.166 31.700 0.054 0.000 1.127 207 P HA -0.189 nan 4.420 nan 0.000 0.217 207 P C 1.730 179.181 177.300 0.251 0.000 1.148 207 P CA 2.012 65.247 63.100 0.225 0.000 0.828 207 P CB -0.410 31.335 31.700 0.075 0.000 0.783 208 S N -1.613 114.184 115.700 0.161 0.000 2.442 208 S HA -0.178 4.293 4.470 0.001 0.000 0.236 208 S C 1.784 176.457 174.600 0.121 0.000 1.007 208 S CA 0.580 58.851 58.200 0.117 0.000 0.965 208 S CB -1.708 61.538 63.200 0.077 0.000 0.773 208 S HN 0.129 nan 8.310 nan 0.000 0.504 209 F N 1.725 121.655 119.950 -0.034 0.000 2.293 209 F HA 0.230 4.758 4.527 0.000 0.000 0.300 209 F C 0.369 176.020 175.800 -0.248 0.000 1.086 209 F CA -0.108 57.779 58.000 -0.189 0.000 1.375 209 F CB -0.069 38.726 39.000 -0.342 0.000 1.045 209 F HN 0.105 nan 8.300 nan 0.000 0.516 210 Y N -0.304 120.047 120.300 0.085 0.000 2.432 210 Y HA 0.471 5.021 4.550 0.000 0.000 0.322 210 Y C 0.281 176.150 175.900 -0.052 0.000 1.246 210 Y CA -1.008 57.084 58.100 -0.014 0.000 1.268 210 Y CB 0.871 39.416 38.460 0.141 0.000 1.276 210 Y HN -0.171 nan 8.280 nan 0.000 0.499 211 V N -1.369 118.620 119.914 0.125 0.000 3.046 211 V HA 0.778 4.898 4.120 0.001 0.000 0.316 211 V C -0.203 175.935 176.094 0.074 0.000 1.104 211 V CA -1.073 61.263 62.300 0.059 0.000 1.006 211 V CB 1.468 33.291 31.823 0.001 0.000 1.058 211 V HN 0.822 nan 8.190 nan 0.000 0.440 212 S N 1.791 117.519 115.700 0.046 0.000 2.601 212 S HA 0.631 5.102 4.470 0.001 0.000 0.271 212 S C 1.345 175.964 174.600 0.032 0.000 1.305 212 S CA 0.013 58.236 58.200 0.038 0.000 1.022 212 S CB 1.241 64.458 63.200 0.028 0.000 0.940 212 S HN 1.950 nan 8.310 nan 0.000 0.525 213 A N 1.418 124.256 122.820 0.029 0.000 1.917 213 A HA -0.174 4.146 4.320 0.001 0.000 0.219 213 A C 2.238 179.837 177.584 0.025 0.000 1.182 213 A CA 2.070 54.124 52.037 0.028 0.000 0.633 213 A CB -1.303 17.712 19.000 0.026 0.000 0.819 213 A HN 0.830 nan 8.150 nan 0.000 0.448 214 Q N -0.236 119.577 119.800 0.022 0.000 2.181 214 Q HA -0.148 4.193 4.340 0.001 0.000 0.205 214 Q C 1.175 177.185 176.000 0.018 0.000 0.980 214 Q CA 1.885 57.700 55.803 0.020 0.000 0.862 214 Q CB -0.207 28.541 28.738 0.017 0.000 0.905 214 Q HN 0.673 nan 8.270 nan 0.000 0.429 215 D N -1.064 119.346 120.400 0.017 0.000 2.289 215 D HA -0.064 4.576 4.640 0.001 0.000 0.207 215 D C 1.613 177.920 176.300 0.012 0.000 0.966 215 D CA 0.070 54.078 54.000 0.013 0.000 0.868 215 D CB -0.033 40.773 40.800 0.010 0.000 0.943 215 D HN 0.167 nan 8.370 nan 0.000 0.514 216 L N 2.122 123.355 121.223 0.016 0.000 1.997 216 L HA -0.133 4.207 4.340 0.001 0.000 0.216 216 L C -0.920 175.960 176.870 0.017 0.000 1.074 216 L CA 2.153 57.002 54.840 0.015 0.000 0.763 216 L CB -1.520 40.553 42.059 0.022 0.000 0.890 216 L HN 0.020 nan 8.230 nan 0.000 0.434 217 P HA -0.103 nan 4.420 nan 0.000 0.225 217 P C 0.464 177.776 177.300 0.021 0.000 1.148 217 P CA 1.298 64.415 63.100 0.029 0.000 0.779 217 P CB -0.127 31.596 31.700 0.037 0.000 0.780 218 N N -0.580 118.128 118.700 0.014 0.000 2.322 218 N HA 0.090 4.831 4.740 0.001 0.000 0.181 218 N C 0.948 176.460 175.510 0.003 0.000 1.088 218 N CA -0.251 52.804 53.050 0.009 0.000 0.885 218 N CB 0.480 38.972 38.487 0.008 0.000 1.013 218 N HN 0.249 nan 8.380 nan 0.000 0.472 219 I N 1.707 122.276 120.570 -0.001 0.000 2.634 219 I HA -0.026 4.144 4.170 0.001 0.000 0.284 219 I C 0.441 176.552 176.117 -0.011 0.000 1.124 219 I CA -0.247 61.047 61.300 -0.010 0.000 1.417 219 I CB 0.927 38.916 38.000 -0.019 0.000 1.396 219 I HN -0.020 nan 8.210 nan 0.000 0.571 220 E N 6.306 126.498 120.200 -0.014 0.000 2.376 220 E HA -0.005 4.345 4.350 0.001 0.000 0.266 220 E C 0.172 176.760 176.600 -0.021 0.000 1.009 220 E CA 0.100 56.492 56.400 -0.014 0.000 0.902 220 E CB 0.325 30.017 29.700 -0.013 0.000 0.972 220 E HN 0.711 nan 8.360 nan 0.000 0.439 221 N N 1.877 120.567 118.700 -0.017 0.000 2.863 221 N HA -0.234 4.506 4.740 0.001 0.000 0.245 221 N C 0.384 175.877 175.510 -0.030 0.000 1.001 221 N CA 1.040 54.077 53.050 -0.022 0.000 0.901 221 N CB -1.672 36.797 38.487 -0.029 0.000 1.124 221 N HN 0.876 nan 8.380 nan 0.000 0.582 222 G N -1.028 107.758 108.800 -0.024 0.000 2.598 222 G HA2 0.313 4.273 3.960 0.001 0.000 0.244 222 G HA3 0.313 4.273 3.960 0.001 0.000 0.244 222 G C 0.208 175.071 174.900 -0.061 0.000 1.302 222 G CA 0.483 45.568 45.100 -0.025 0.000 0.903 222 G HN 1.419 nan 8.290 nan 0.000 0.575 223 G N -3.604 105.153 108.800 -0.071 0.000 2.327 223 G HA2 0.565 4.526 3.960 0.001 0.000 0.291 223 G HA3 0.565 4.526 3.960 0.001 0.000 0.291 223 G C -1.505 173.327 174.900 -0.113 0.000 1.290 223 G CA 0.485 45.502 45.100 -0.138 0.000 0.857 223 G HN 1.781 nan 8.290 nan 0.000 0.520 224 V N 1.341 121.154 119.914 -0.169 0.000 2.313 224 V HA 0.689 4.809 4.120 0.001 0.000 0.278 224 V C 0.768 176.930 176.094 0.112 0.000 1.017 224 V CA 0.112 62.399 62.300 -0.022 0.000 0.823 224 V CB 0.537 32.357 31.823 -0.004 0.000 1.010 224 V HN 1.404 nan 8.190 nan 0.000 0.443 225 A N 4.538 127.426 122.820 0.113 0.000 2.264 225 A HA 0.880 5.200 4.320 0.001 0.000 0.304 225 A C -0.576 177.085 177.584 0.127 0.000 1.100 225 A CA -0.586 51.526 52.037 0.125 0.000 0.839 225 A CB 1.781 20.820 19.000 0.064 0.000 1.121 225 A HN 0.912 nan 8.150 nan 0.000 0.496 226 V N 2.374 122.322 119.914 0.057 0.000 2.623 226 V HA 0.506 4.626 4.120 0.001 0.000 0.304 226 V C -1.342 174.737 176.094 -0.026 0.000 1.054 226 V CA -0.584 61.695 62.300 -0.035 0.000 0.882 226 V CB 1.526 33.194 31.823 -0.258 0.000 1.002 226 V HN 0.817 nan 8.190 nan 0.000 0.424 227 L N 7.641 128.859 121.223 -0.009 0.000 2.356 227 L HA 0.548 4.888 4.340 0.001 0.000 0.264 227 L C 0.405 177.275 176.870 0.000 0.000 1.029 227 L CA -0.085 54.756 54.840 0.002 0.000 0.897 227 L CB 1.520 43.589 42.059 0.016 0.000 1.256 227 L HN 0.946 nan 8.230 nan 0.000 0.444 228 T N -0.840 113.710 114.554 -0.007 0.000 2.881 228 T HA 0.550 4.900 4.350 0.001 0.000 0.278 228 T C 1.035 175.745 174.700 0.018 0.000 0.982 228 T CA 0.275 62.378 62.100 0.006 0.000 0.989 228 T CB 1.739 70.609 68.868 0.004 0.000 1.058 228 T HN 0.797 nan 8.240 nan 0.000 0.529 229 G N 0.857 109.673 108.800 0.027 0.000 2.160 229 G HA2 -0.159 3.801 3.960 0.001 0.000 0.251 229 G HA3 -0.159 3.801 3.960 0.001 0.000 0.251 229 G C -0.120 174.797 174.900 0.029 0.000 1.008 229 G CA 0.111 45.229 45.100 0.029 0.000 0.724 229 G HN 0.801 nan 8.290 nan 0.000 0.514 230 K N -0.432 119.986 120.400 0.030 0.000 2.464 230 K HA 0.563 4.884 4.320 0.001 0.000 0.253 230 K C -0.572 176.051 176.600 0.038 0.000 0.933 230 K CA -0.877 55.430 56.287 0.033 0.000 0.801 230 K CB 2.465 34.984 32.500 0.031 0.000 1.271 230 K HN 0.233 nan 8.250 nan 0.000 0.430 231 K N 1.769 122.194 120.400 0.042 0.000 2.376 231 K HA 0.333 4.653 4.320 0.001 0.000 0.257 231 K C -0.772 175.861 176.600 0.056 0.000 0.939 231 K CA -0.663 55.653 56.287 0.048 0.000 0.809 231 K CB 1.585 34.114 32.500 0.049 0.000 1.121 231 K HN 0.277 nan 8.250 nan 0.000 0.425 232 V N 5.234 125.184 119.914 0.059 0.000 2.508 232 V HA 0.035 4.156 4.120 0.001 0.000 0.281 232 V C 0.923 177.069 176.094 0.086 0.000 1.041 232 V CA -0.117 62.227 62.300 0.073 0.000 1.016 232 V CB 1.009 32.872 31.823 0.066 0.000 0.984 232 V HN 0.738 nan 8.190 nan 0.000 0.478 233 V N 1.496 121.474 119.914 0.107 0.000 3.432 233 V HA 0.459 4.579 4.120 0.001 0.000 0.298 233 V C 0.181 176.375 176.094 0.167 0.000 1.464 233 V CA 0.146 62.515 62.300 0.114 0.000 1.046 233 V CB -0.601 31.281 31.823 0.099 0.000 0.887 233 V HN 0.944 nan 8.190 nan 0.000 0.441 234 H N 0.144 119.251 119.070 0.063 0.000 3.042 234 H HA 0.668 5.225 4.556 0.000 0.000 0.345 234 H C -1.792 173.585 175.328 0.081 0.000 1.052 234 H CA -0.603 55.485 56.048 0.066 0.000 1.311 234 H CB 1.950 31.746 29.762 0.055 0.000 1.810 234 H HN 0.288 nan 8.280 nan 0.000 0.505 235 L N 4.638 125.845 121.223 -0.027 0.000 2.305 235 L HA 0.393 4.734 4.340 0.001 0.000 0.284 235 L C -1.118 175.799 176.870 0.078 0.000 1.013 235 L CA -0.385 54.516 54.840 0.101 0.000 0.819 235 L CB 1.405 43.496 42.059 0.054 0.000 1.227 235 L HN 0.727 nan 8.230 nan 0.000 0.417 236 D N 4.048 124.587 120.400 0.232 0.000 2.472 236 D HA 0.193 4.834 4.640 0.001 0.000 0.234 236 D C 0.795 177.170 176.300 0.125 0.000 1.088 236 D CA -0.263 53.843 54.000 0.176 0.000 0.882 236 D CB 1.416 42.345 40.800 0.215 0.000 1.037 236 D HN 0.370 nan 8.370 nan 0.000 0.520 237 V N 4.952 124.925 119.914 0.099 0.000 2.261 237 V HA -0.179 3.941 4.120 0.001 0.000 0.246 237 V C 2.425 178.540 176.094 0.036 0.000 1.047 237 V CA 1.546 63.907 62.300 0.102 0.000 1.015 237 V CB -0.301 31.557 31.823 0.059 0.000 0.642 237 V HN 0.546 nan 8.190 nan 0.000 0.446 238 R N 0.036 120.545 120.500 0.013 0.000 2.189 238 R HA -0.013 4.327 4.340 0.001 0.000 0.218 238 R C 2.068 178.342 176.300 -0.043 0.000 1.074 238 R CA 1.069 57.162 56.100 -0.012 0.000 0.991 238 R CB -0.396 29.902 30.300 -0.003 0.000 0.883 238 R HN 0.567 nan 8.270 nan 0.000 0.457 239 G N 0.218 108.988 108.800 -0.049 0.000 3.088 239 G HA2 -0.062 3.898 3.960 0.001 0.000 0.217 239 G HA3 -0.062 3.898 3.960 0.001 0.000 0.217 239 G C -0.061 174.718 174.900 -0.202 0.000 1.159 239 G CA -0.409 44.639 45.100 -0.087 0.000 0.760 239 G HN 0.286 nan 8.290 nan 0.000 0.550 240 N N -0.504 117.997 118.700 -0.331 0.000 2.714 240 N HA -0.178 4.563 4.740 0.001 0.000 0.252 240 N C -0.056 174.900 175.510 -0.923 0.000 1.014 240 N CA 1.425 53.924 53.050 -0.918 0.000 0.735 240 N CB -0.903 37.130 38.487 -0.757 0.000 0.924 240 N HN 0.631 nan 8.380 nan 0.000 0.540 241 M N -2.307 117.068 119.600 -0.375 0.000 2.520 241 M HA 0.656 5.136 4.480 0.001 0.000 0.283 241 M C -0.981 175.451 176.300 0.219 0.000 1.237 241 M CA -0.978 54.287 55.300 -0.058 0.000 0.885 241 M CB 2.217 34.792 32.600 -0.042 0.000 1.727 241 M HN -0.089 nan 8.290 nan 0.000 0.468 242 V N -0.481 119.583 119.914 0.250 0.000 2.960 242 V HA 0.820 4.941 4.120 0.001 0.000 0.315 242 V C -1.008 175.173 176.094 0.145 0.000 1.087 242 V CA -0.753 61.690 62.300 0.237 0.000 0.982 242 V CB 2.106 34.064 31.823 0.224 0.000 1.039 242 V HN 0.991 nan 8.190 nan 0.000 0.437 243 K N 3.071 123.554 120.400 0.139 0.000 2.270 243 K HA 0.704 5.024 4.320 0.001 0.000 0.255 243 K C -0.974 175.679 176.600 0.088 0.000 0.936 243 K CA -0.634 55.696 56.287 0.072 0.000 0.809 243 K CB 2.234 34.738 32.500 0.007 0.000 1.131 243 K HN 0.639 nan 8.250 nan 0.000 0.427 244 L N 1.785 123.046 121.223 0.063 0.000 2.431 244 L HA 0.183 4.523 4.340 0.001 0.000 0.260 244 L C 1.570 178.471 176.870 0.052 0.000 1.098 244 L CA -0.450 54.425 54.840 0.059 0.000 0.800 244 L CB 0.605 42.692 42.059 0.047 0.000 1.210 244 L HN 0.794 nan 8.230 nan 0.000 0.465 245 N N -0.374 118.356 118.700 0.050 0.000 2.430 245 N HA -0.228 4.513 4.740 0.001 0.000 0.186 245 N C 0.701 176.231 175.510 0.034 0.000 1.032 245 N CA 1.298 54.374 53.050 0.044 0.000 0.893 245 N CB -0.189 38.323 38.487 0.042 0.000 0.957 245 N HN 0.709 nan 8.380 nan 0.000 0.442 246 D N -2.141 118.277 120.400 0.030 0.000 2.342 246 D HA 0.191 4.831 4.640 0.001 0.000 0.221 246 D C 1.301 177.613 176.300 0.019 0.000 1.101 246 D CA 0.106 54.120 54.000 0.024 0.000 0.837 246 D CB -0.203 40.611 40.800 0.022 0.000 0.938 246 D HN 0.357 nan 8.370 nan 0.000 0.508 247 G N 0.282 109.094 108.800 0.019 0.000 2.225 247 G HA2 -0.311 3.649 3.960 0.001 0.000 0.254 247 G HA3 -0.311 3.649 3.960 0.001 0.000 0.254 247 G C 0.526 175.430 174.900 0.007 0.000 0.988 247 G CA 0.428 45.534 45.100 0.009 0.000 0.625 247 G HN 0.831 nan 8.290 nan 0.000 0.527 248 S N -0.370 115.340 115.700 0.016 0.000 2.600 248 S HA 0.680 5.150 4.470 0.001 0.000 0.265 248 S C -0.112 174.502 174.600 0.023 0.000 1.325 248 S CA 0.046 58.256 58.200 0.018 0.000 1.002 248 S CB 1.747 64.961 63.200 0.023 0.000 0.921 248 S HN 0.576 nan 8.310 nan 0.000 0.554 249 Q N 0.135 119.949 119.800 0.025 0.000 2.375 249 Q HA 0.625 4.966 4.340 0.001 0.000 0.271 249 Q C -1.282 174.748 176.000 0.051 0.000 1.074 249 Q CA -0.467 55.356 55.803 0.033 0.000 0.808 249 Q CB 2.158 30.903 28.738 0.012 0.000 1.327 249 Q HN 0.710 nan 8.270 nan 0.000 0.441 250 I N 1.842 122.459 120.570 0.077 0.000 2.439 250 I HA 0.286 4.456 4.170 0.001 0.000 0.285 250 I C 0.049 176.240 176.117 0.122 0.000 1.021 250 I CA -0.723 60.633 61.300 0.094 0.000 1.091 250 I CB 1.986 40.044 38.000 0.098 0.000 1.242 250 I HN 0.600 nan 8.210 nan 0.000 0.439 251 T N 2.802 117.421 114.554 0.108 0.000 2.899 251 T HA 0.723 5.073 4.350 0.001 0.000 0.284 251 T C -0.471 174.274 174.700 0.075 0.000 1.004 251 T CA -0.424 61.714 62.100 0.064 0.000 1.043 251 T CB 1.338 70.282 68.868 0.128 0.000 1.013 251 T HN 0.384 nan 8.240 nan 0.000 0.518 252 F N -1.218 118.752 119.950 0.032 0.000 2.643 252 F HA 0.735 5.262 4.527 0.000 0.000 0.314 252 F C 0.476 176.273 175.800 -0.005 0.000 1.096 252 F CA -1.478 56.457 58.000 -0.108 0.000 0.953 252 F CB 1.337 40.297 39.000 -0.067 0.000 1.345 252 F HN 0.563 nan 8.300 nan 0.000 0.468 253 E N -0.152 120.164 120.200 0.194 0.000 2.244 253 E HA 0.214 4.564 4.350 0.001 0.000 0.196 253 E C -0.503 176.262 176.600 0.274 0.000 0.939 253 E CA 0.295 56.778 56.400 0.137 0.000 0.884 253 E CB 0.375 30.050 29.700 -0.042 0.000 0.850 253 E HN 0.247 nan 8.360 nan 0.000 0.481 254 K N 0.380 120.915 120.400 0.224 0.000 2.468 254 K HA 0.402 4.723 4.320 0.001 0.000 0.252 254 K C -1.356 175.277 176.600 0.055 0.000 0.932 254 K CA -0.658 55.785 56.287 0.260 0.000 0.794 254 K CB 2.191 34.790 32.500 0.165 0.000 1.241 254 K HN 0.020 nan 8.250 nan 0.000 0.428 255 C N 3.560 122.827 119.300 -0.055 0.000 2.482 255 C HA 0.670 5.130 4.460 0.001 0.000 0.317 255 C C -1.186 173.767 174.990 -0.061 0.000 1.197 255 C CA -0.859 57.920 59.018 -0.397 0.000 1.432 255 C CB 0.379 27.410 27.740 -1.182 0.000 2.062 255 C HN 0.802 nan 8.230 nan 0.000 0.471 256 L N 7.086 128.254 121.223 -0.092 0.000 2.313 256 L HA 0.708 5.049 4.340 0.001 0.000 0.283 256 L C -0.686 176.119 176.870 -0.109 0.000 1.013 256 L CA -0.183 54.632 54.840 -0.042 0.000 0.816 256 L CB 1.212 43.232 42.059 -0.066 0.000 1.236 256 L HN 0.674 nan 8.230 nan 0.000 0.419 257 I N 5.704 126.190 120.570 -0.139 0.000 2.304 257 I HA 0.522 4.692 4.170 0.001 0.000 0.291 257 I C 0.227 176.286 176.117 -0.097 0.000 1.018 257 I CA -0.193 60.999 61.300 -0.180 0.000 1.260 257 I CB 1.451 39.200 38.000 -0.418 0.000 1.390 257 I HN 0.837 nan 8.210 nan 0.000 0.475 258 A N 3.633 126.429 122.820 -0.040 0.000 3.365 258 A HA 0.264 4.584 4.320 0.001 0.000 0.258 258 A C 0.782 178.386 177.584 0.032 0.000 0.964 258 A CA -0.391 51.642 52.037 -0.006 0.000 0.988 258 A CB -0.318 18.659 19.000 -0.038 0.000 1.193 258 A HN 0.730 nan 8.150 nan 0.000 0.508 259 T N -2.663 111.939 114.554 0.079 0.000 3.148 259 T HA 0.423 4.773 4.350 0.001 0.000 0.253 259 T C 1.423 176.181 174.700 0.097 0.000 1.134 259 T CA 0.994 63.152 62.100 0.096 0.000 1.051 259 T CB -0.269 68.686 68.868 0.145 0.000 0.959 259 T HN 1.992 nan 8.240 nan 0.000 0.525 260 G N 0.766 109.626 108.800 0.100 0.000 2.566 260 G HA2 0.197 4.157 3.960 0.001 0.000 0.280 260 G HA3 0.197 4.157 3.960 0.001 0.000 0.280 260 G C 0.120 175.075 174.900 0.092 0.000 1.225 260 G CA -0.159 44.995 45.100 0.090 0.000 0.966 260 G HN 1.417 nan 8.290 nan 0.000 0.560 261 G N -2.947 105.896 108.800 0.073 0.000 2.687 261 G HA2 0.734 4.694 3.960 0.001 0.000 0.291 261 G HA3 0.734 4.694 3.960 0.001 0.000 0.291 261 G C -1.092 173.840 174.900 0.054 0.000 1.420 261 G CA 0.775 45.911 45.100 0.059 0.000 0.796 261 G HN 1.192 nan 8.290 nan 0.000 0.485 262 T N 2.282 116.863 114.554 0.044 0.000 2.807 262 T HA 0.598 4.949 4.350 0.001 0.000 0.279 262 T C -2.599 172.129 174.700 0.047 0.000 0.993 262 T CA -0.795 61.332 62.100 0.044 0.000 0.970 262 T CB 2.000 70.890 68.868 0.036 0.000 0.950 262 T HN 0.233 nan 8.240 nan 0.000 0.441 263 P HA 0.110 nan 4.420 nan 0.000 0.264 263 P C 0.056 177.386 177.300 0.050 0.000 1.183 263 P CA -0.077 63.061 63.100 0.065 0.000 0.763 263 P CB 0.477 32.227 31.700 0.082 0.000 0.807 264 R N 1.436 121.963 120.500 0.045 0.000 2.641 264 R HA 0.326 4.666 4.340 0.001 0.000 0.269 264 R C 0.800 177.121 176.300 0.035 0.000 1.074 264 R CA 0.002 56.121 56.100 0.032 0.000 1.133 264 R CB 0.335 30.650 30.300 0.025 0.000 1.029 264 R HN 0.581 nan 8.270 nan 0.000 0.488 265 S N 1.248 116.963 115.700 0.026 0.000 2.767 265 S HA 0.465 4.935 4.470 0.001 0.000 0.300 265 S C -0.593 174.018 174.600 0.018 0.000 1.123 265 S CA -0.973 57.241 58.200 0.024 0.000 0.992 265 S CB 1.055 64.267 63.200 0.019 0.000 1.138 265 S HN 0.281 nan 8.310 nan 0.000 0.550 266 L N 1.693 122.924 121.223 0.014 0.000 2.312 266 L HA 0.460 4.800 4.340 0.001 0.000 0.281 266 L C 1.581 178.453 176.870 0.004 0.000 1.070 266 L CA 0.338 55.183 54.840 0.009 0.000 0.805 266 L CB 1.372 43.435 42.059 0.007 0.000 1.174 266 L HN 0.959 nan 8.230 nan 0.000 0.434 267 S N 2.853 118.554 115.700 0.003 0.000 2.372 267 S HA -0.240 4.230 4.470 0.001 0.000 0.227 267 S C 1.845 176.444 174.600 -0.002 0.000 1.044 267 S CA 1.902 60.102 58.200 -0.000 0.000 1.050 267 S CB -0.104 63.095 63.200 -0.001 0.000 0.901 267 S HN 0.832 nan 8.310 nan 0.000 0.447 268 A N 0.413 123.231 122.820 -0.003 0.000 2.015 268 A HA 0.058 4.379 4.320 0.001 0.000 0.219 268 A C 2.045 179.625 177.584 -0.007 0.000 1.163 268 A CA 1.186 53.220 52.037 -0.005 0.000 0.646 268 A CB -0.528 18.468 19.000 -0.007 0.000 0.806 268 A HN 0.625 nan 8.150 nan 0.000 0.448 269 I N -0.660 119.907 120.570 -0.006 0.000 2.406 269 I HA -0.159 4.011 4.170 0.001 0.000 0.249 269 I C 1.812 177.926 176.117 -0.005 0.000 1.122 269 I CA 1.156 62.450 61.300 -0.009 0.000 1.431 269 I CB -0.328 37.666 38.000 -0.011 0.000 1.087 269 I HN 0.181 nan 8.210 nan 0.000 0.424 270 D N 0.946 121.345 120.400 -0.001 0.000 2.123 270 D HA -0.160 4.481 4.640 0.001 0.000 0.196 270 D C 2.227 178.527 176.300 -0.000 0.000 0.992 270 D CA 1.207 55.208 54.000 0.001 0.000 0.833 270 D CB -0.073 40.729 40.800 0.002 0.000 0.954 270 D HN 0.173 nan 8.370 nan 0.000 0.455 271 R N 0.120 120.618 120.500 -0.002 0.000 2.276 271 R HA 0.239 4.580 4.340 0.001 0.000 0.203 271 R C 0.669 176.967 176.300 -0.003 0.000 1.017 271 R CA 0.121 56.220 56.100 -0.002 0.000 1.010 271 R CB 0.143 30.441 30.300 -0.003 0.000 0.900 271 R HN 0.060 nan 8.270 nan 0.000 0.469 272 A N 0.711 123.529 122.820 -0.004 0.000 2.304 272 A HA 0.519 4.839 4.320 0.001 0.000 0.271 272 A C 0.530 178.111 177.584 -0.004 0.000 1.091 272 A CA -0.170 51.864 52.037 -0.005 0.000 0.812 272 A CB 0.440 19.434 19.000 -0.009 0.000 1.056 272 A HN 0.260 nan 8.150 nan 0.000 0.489 273 G N -1.369 107.429 108.800 -0.003 0.000 2.616 273 G HA2 0.483 4.444 3.960 0.001 0.000 0.268 273 G HA3 0.483 4.444 3.960 0.001 0.000 0.268 273 G C 1.169 176.069 174.900 0.000 0.000 1.213 273 G CA 0.225 45.325 45.100 -0.001 0.000 0.926 273 G HN 1.433 nan 8.290 nan 0.000 0.523 274 A N -0.356 122.466 122.820 0.003 0.000 1.896 274 A HA -0.174 4.146 4.320 0.001 0.000 0.220 274 A C 2.095 179.683 177.584 0.006 0.000 1.206 274 A CA 2.295 54.336 52.037 0.006 0.000 0.647 274 A CB -0.668 18.337 19.000 0.008 0.000 0.828 274 A HN 0.757 nan 8.150 nan 0.000 0.455 275 E N -0.659 119.544 120.200 0.005 0.000 2.058 275 E HA -0.184 4.167 4.350 0.001 0.000 0.194 275 E C 2.209 178.810 176.600 0.002 0.000 0.997 275 E CA 1.986 58.390 56.400 0.007 0.000 0.801 275 E CB -0.441 29.262 29.700 0.006 0.000 0.746 275 E HN 0.733 nan 8.360 nan 0.000 0.450 276 V N -0.686 119.224 119.914 -0.006 0.000 2.407 276 V HA -0.109 4.011 4.120 0.001 0.000 0.245 276 V C 2.207 178.284 176.094 -0.028 0.000 1.041 276 V CA 1.625 63.913 62.300 -0.020 0.000 1.040 276 V CB -0.448 31.362 31.823 -0.021 0.000 0.671 276 V HN 0.023 nan 8.190 nan 0.000 0.455 277 K N 1.489 121.881 120.400 -0.014 0.000 2.147 277 K HA -0.131 4.189 4.320 0.001 0.000 0.205 277 K C 2.287 178.885 176.600 -0.004 0.000 1.049 277 K CA 1.550 57.830 56.287 -0.011 0.000 0.936 277 K CB -0.286 32.214 32.500 -0.000 0.000 0.722 277 K HN 0.754 nan 8.250 nan 0.000 0.446 278 S N -0.076 115.628 115.700 0.007 0.000 2.555 278 S HA -0.041 4.430 4.470 0.001 0.000 0.230 278 S C 1.242 175.870 174.600 0.047 0.000 0.978 278 S CA 0.384 58.602 58.200 0.029 0.000 0.934 278 S CB 0.006 63.225 63.200 0.032 0.000 0.766 278 S HN 0.261 nan 8.310 nan 0.000 0.533 279 R N 0.375 120.869 120.500 -0.010 0.000 2.613 279 R HA 0.294 4.634 4.340 0.001 0.000 0.361 279 R C -0.704 175.306 176.300 -0.484 0.000 1.072 279 R CA -0.039 56.019 56.100 -0.070 0.000 1.089 279 R CB 1.044 31.335 30.300 -0.015 0.000 1.343 279 R HN 0.226 nan 8.270 nan 0.000 0.571 280 T N 0.553 114.931 114.554 -0.294 0.000 2.848 280 T HA 0.277 4.628 4.350 0.001 0.000 0.285 280 T C -0.307 174.353 174.700 -0.067 0.000 0.995 280 T CA -0.531 61.403 62.100 -0.277 0.000 0.970 280 T CB 2.210 71.009 68.868 -0.114 0.000 0.976 280 T HN 0.104 nan 8.240 nan 0.000 0.441 281 T N 1.932 116.513 114.554 0.046 0.000 2.885 281 T HA 0.761 5.111 4.350 0.001 0.000 0.285 281 T C -0.648 174.150 174.700 0.163 0.000 1.019 281 T CA -0.896 61.310 62.100 0.176 0.000 1.010 281 T CB 0.590 69.656 68.868 0.330 0.000 1.022 281 T HN 0.395 nan 8.240 nan 0.000 0.466 282 L N 2.948 124.256 121.223 0.142 0.000 2.325 282 L HA 0.589 4.929 4.340 0.001 0.000 0.279 282 L C -0.652 176.336 176.870 0.198 0.000 1.054 282 L CA -1.099 53.829 54.840 0.146 0.000 0.804 282 L CB 1.208 43.323 42.059 0.093 0.000 1.200 282 L HN 0.675 nan 8.230 nan 0.000 0.436 283 F N 2.799 122.814 119.950 0.108 0.000 2.361 283 F HA 0.437 4.964 4.527 0.000 0.000 0.364 283 F C 0.648 176.529 175.800 0.135 0.000 1.117 283 F CA -0.079 58.004 58.000 0.138 0.000 1.071 283 F CB 0.804 39.894 39.000 0.151 0.000 1.188 283 F HN 0.481 nan 8.300 nan 0.000 0.464 284 R N 3.039 123.396 120.500 -0.239 0.000 2.851 284 R HA 0.272 4.612 4.340 0.001 0.000 0.177 284 R C -0.450 175.801 176.300 -0.083 0.000 0.888 284 R CA 0.023 56.088 56.100 -0.057 0.000 1.326 284 R CB 0.482 30.803 30.300 0.036 0.000 1.668 284 R HN 0.496 nan 8.270 nan 0.000 0.575 285 K N -0.102 120.201 120.400 -0.162 0.000 2.316 285 K HA 0.388 4.708 4.320 0.001 0.000 0.234 285 K C 0.804 177.351 176.600 -0.089 0.000 1.054 285 K CA -0.698 55.599 56.287 0.016 0.000 0.879 285 K CB 1.273 33.810 32.500 0.062 0.000 1.252 285 K HN -0.134 nan 8.250 nan 0.000 0.471 286 I N 1.051 121.568 120.570 -0.089 0.000 2.151 286 I HA -0.276 3.894 4.170 0.001 0.000 0.243 286 I C 2.156 178.251 176.117 -0.036 0.000 1.080 286 I CA 1.966 63.166 61.300 -0.166 0.000 1.339 286 I CB -0.550 37.245 38.000 -0.342 0.000 1.039 286 I HN 0.944 nan 8.210 nan 0.000 0.409 287 G N 0.324 109.102 108.800 -0.036 0.000 2.442 287 G HA2 -0.241 3.720 3.960 0.001 0.000 0.219 287 G HA3 -0.241 3.720 3.960 0.001 0.000 0.219 287 G C 1.256 176.125 174.900 -0.051 0.000 1.141 287 G CA 0.965 46.048 45.100 -0.028 0.000 0.763 287 G HN 0.315 nan 8.290 nan 0.000 0.554 288 D N 0.088 120.423 120.400 -0.109 0.000 2.097 288 D HA -0.099 4.542 4.640 0.001 0.000 0.197 288 D C 2.003 178.279 176.300 -0.041 0.000 0.984 288 D CA 0.624 54.527 54.000 -0.162 0.000 0.826 288 D CB -0.507 40.004 40.800 -0.481 0.000 0.973 288 D HN 0.359 nan 8.370 nan 0.000 0.460 289 F N 2.248 122.093 119.950 -0.175 0.000 2.095 289 F HA -0.205 4.322 4.527 0.000 0.000 0.298 289 F C 2.361 178.155 175.800 -0.010 0.000 1.104 289 F CA 1.524 59.607 58.000 0.138 0.000 1.232 289 F CB 0.038 39.053 39.000 0.026 0.000 0.987 289 F HN -0.221 nan 8.300 nan 0.000 0.475 290 R N 0.498 120.788 120.500 -0.351 0.000 2.083 290 R HA -0.176 4.165 4.340 0.001 0.000 0.237 290 R C 2.499 178.598 176.300 -0.336 0.000 1.137 290 R CA 1.460 57.279 56.100 -0.467 0.000 0.951 290 R CB -1.042 29.152 30.300 -0.176 0.000 0.851 290 R HN 0.475 nan 8.270 nan 0.000 0.434 291 A N 1.114 123.835 122.820 -0.164 0.000 1.898 291 A HA -0.136 4.185 4.320 0.001 0.000 0.216 291 A C 2.092 179.619 177.584 -0.095 0.000 1.181 291 A CA 0.925 52.901 52.037 -0.103 0.000 0.620 291 A CB -0.449 18.531 19.000 -0.034 0.000 0.819 291 A HN 0.219 nan 8.150 nan 0.000 0.442 292 L N -0.052 121.179 121.223 0.014 0.000 2.083 292 L HA -0.136 4.205 4.340 0.001 0.000 0.209 292 L C 2.285 179.229 176.870 0.124 0.000 1.083 292 L CA 2.412 57.337 54.840 0.143 0.000 0.752 292 L CB -0.522 41.828 42.059 0.485 0.000 0.899 292 L HN 0.509 nan 8.230 nan 0.000 0.433 293 E N 0.040 120.148 120.200 -0.154 0.000 2.072 293 E HA -0.286 4.064 4.350 0.001 0.000 0.191 293 E C 2.222 178.712 176.600 -0.183 0.000 0.985 293 E CA 1.405 57.598 56.400 -0.346 0.000 0.801 293 E CB -0.022 29.055 29.700 -1.038 0.000 0.750 293 E HN 0.543 nan 8.360 nan 0.000 0.452 294 K N 0.233 120.512 120.400 -0.203 0.000 2.057 294 K HA -0.085 4.235 4.320 0.001 0.000 0.207 294 K C 2.379 178.926 176.600 -0.089 0.000 1.049 294 K CA 1.265 57.473 56.287 -0.132 0.000 0.931 294 K CB -0.152 32.272 32.500 -0.126 0.000 0.714 294 K HN 0.116 nan 8.250 nan 0.000 0.440 295 I N 1.045 121.551 120.570 -0.106 0.000 2.361 295 I HA -0.269 3.901 4.170 0.001 0.000 0.251 295 I C 2.142 178.228 176.117 -0.052 0.000 1.133 295 I CA 1.346 62.573 61.300 -0.123 0.000 1.413 295 I CB -0.237 37.583 38.000 -0.300 0.000 1.073 295 I HN 0.265 nan 8.210 nan 0.000 0.424 296 S N 0.575 116.279 115.700 0.006 0.000 2.507 296 S HA -0.092 4.378 4.470 0.001 0.000 0.235 296 S C 1.809 176.426 174.600 0.028 0.000 0.988 296 S CA 0.570 58.801 58.200 0.053 0.000 0.944 296 S CB -0.302 62.999 63.200 0.168 0.000 0.762 296 S HN 0.447 nan 8.310 nan 0.000 0.526 297 R N 0.201 120.702 120.500 0.001 0.000 2.393 297 R HA 0.353 4.693 4.340 0.001 0.000 0.244 297 R C 1.259 177.552 176.300 -0.011 0.000 0.920 297 R CA 0.261 56.359 56.100 -0.004 0.000 1.076 297 R CB 0.226 30.517 30.300 -0.016 0.000 1.119 297 R HN 0.526 nan 8.270 nan 0.000 0.524 298 E N -0.359 119.832 120.200 -0.015 0.000 2.441 298 E HA 0.038 4.388 4.350 0.001 0.000 0.212 298 E C 0.212 176.809 176.600 -0.006 0.000 0.840 298 E CA 0.066 56.457 56.400 -0.014 0.000 1.143 298 E CB 1.242 30.928 29.700 -0.025 0.000 1.153 298 E HN 0.064 nan 8.360 nan 0.000 0.539 299 V N -0.984 118.928 119.914 -0.003 0.000 3.096 299 V HA 0.439 4.559 4.120 0.001 0.000 0.319 299 V C 0.547 176.648 176.094 0.012 0.000 1.103 299 V CA -0.810 61.495 62.300 0.009 0.000 1.016 299 V CB 2.084 33.920 31.823 0.022 0.000 1.090 299 V HN -0.185 nan 8.190 nan 0.000 0.449 300 K N 0.530 120.939 120.400 0.015 0.000 2.262 300 K HA 0.338 4.658 4.320 0.001 0.000 0.200 300 K C 0.726 177.333 176.600 0.012 0.000 1.049 300 K CA 1.141 57.434 56.287 0.011 0.000 0.979 300 K CB 0.187 32.693 32.500 0.009 0.000 0.773 300 K HN 0.925 nan 8.250 nan 0.000 0.474 301 S N -0.351 115.362 115.700 0.021 0.000 2.543 301 S HA 0.570 5.040 4.470 0.001 0.000 0.271 301 S C -1.532 173.094 174.600 0.042 0.000 1.148 301 S CA -0.880 57.333 58.200 0.021 0.000 0.914 301 S CB 0.578 63.786 63.200 0.013 0.000 1.096 301 S HN 0.067 nan 8.310 nan 0.000 0.471 302 I N 3.271 123.862 120.570 0.036 0.000 2.533 302 I HA 0.368 4.539 4.170 0.001 0.000 0.290 302 I C -0.488 175.645 176.117 0.026 0.000 1.056 302 I CA -0.578 60.759 61.300 0.061 0.000 1.057 302 I CB 2.603 40.638 38.000 0.057 0.000 1.240 302 I HN 0.491 nan 8.210 nan 0.000 0.423 303 T N 5.200 119.772 114.554 0.029 0.000 2.794 303 T HA 0.434 4.785 4.350 0.001 0.000 0.280 303 T C -0.249 174.457 174.700 0.010 0.000 0.987 303 T CA -0.438 61.664 62.100 0.004 0.000 0.993 303 T CB 1.890 70.752 68.868 -0.009 0.000 0.939 303 T HN 0.160 nan 8.240 nan 0.000 0.449 304 V N 5.162 125.077 119.914 0.002 0.000 2.383 304 V HA 0.426 4.546 4.120 0.001 0.000 0.275 304 V C 0.028 176.141 176.094 0.032 0.000 1.036 304 V CA -0.681 61.625 62.300 0.010 0.000 0.889 304 V CB 0.992 32.806 31.823 -0.015 0.000 0.985 304 V HN 0.782 nan 8.190 nan 0.000 0.459 305 I N 4.624 125.217 120.570 0.039 0.000 2.330 305 I HA 0.752 4.922 4.170 0.001 0.000 0.289 305 I C 0.576 176.739 176.117 0.077 0.000 1.001 305 I CA -0.046 61.288 61.300 0.056 0.000 1.193 305 I CB 1.478 39.498 38.000 0.033 0.000 1.345 305 I HN 0.839 nan 8.210 nan 0.000 0.461 306 G N 3.418 112.298 108.800 0.133 0.000 2.760 306 G HA2 0.101 4.061 3.960 0.001 0.000 0.540 306 G HA3 0.101 4.061 3.960 0.001 0.000 0.540 306 G C 0.031 174.957 174.900 0.043 0.000 1.476 306 G CA -0.405 44.747 45.100 0.086 0.000 0.949 306 G HN 0.846 nan 8.290 nan 0.000 0.633 307 G N 0.275 108.975 108.800 -0.167 0.000 3.126 307 G HA2 0.568 4.528 3.960 0.001 0.000 0.224 307 G HA3 0.568 4.528 3.960 0.001 0.000 0.224 307 G C 1.132 175.695 174.900 -0.562 0.000 1.142 307 G CA 1.112 45.772 45.100 -0.734 0.000 0.759 307 G HN 1.362 nan 8.290 nan 0.000 0.550 308 G N -0.099 108.505 108.800 -0.326 0.000 2.647 308 G HA2 0.274 4.234 3.960 0.001 0.000 0.271 308 G HA3 0.274 4.234 3.960 0.001 0.000 0.271 308 G C 0.682 175.414 174.900 -0.280 0.000 1.300 308 G CA -0.527 44.389 45.100 -0.306 0.000 0.997 308 G HN 0.057 nan 8.290 nan 0.000 0.533 309 F N -0.746 119.143 119.950 -0.102 0.000 2.126 309 F HA -0.077 4.451 4.527 0.000 0.000 0.299 309 F C 2.488 178.288 175.800 -0.000 0.000 1.096 309 F CA 1.244 59.228 58.000 -0.026 0.000 1.255 309 F CB -0.271 38.809 39.000 0.133 0.000 0.997 309 F HN 0.264 nan 8.300 nan 0.000 0.479 310 L N 0.400 121.737 121.223 0.190 0.000 2.056 310 L HA 0.052 4.393 4.340 0.001 0.000 0.207 310 L C 2.386 179.267 176.870 0.019 0.000 1.078 310 L CA 2.145 57.053 54.840 0.114 0.000 0.749 310 L CB -1.509 40.627 42.059 0.128 0.000 0.901 310 L HN 0.088 nan 8.230 nan 0.000 0.433 311 G N -1.536 107.261 108.800 -0.004 0.000 2.432 311 G HA2 -0.222 3.738 3.960 0.001 0.000 0.219 311 G HA3 -0.222 3.738 3.960 0.001 0.000 0.219 311 G C 1.561 176.433 174.900 -0.047 0.000 1.135 311 G CA 0.890 45.970 45.100 -0.034 0.000 0.767 311 G HN 0.481 nan 8.290 nan 0.000 0.550 312 S N 0.420 116.092 115.700 -0.047 0.000 2.368 312 S HA -0.046 4.425 4.470 0.001 0.000 0.224 312 S C 2.167 176.775 174.600 0.013 0.000 1.029 312 S CA 1.279 59.461 58.200 -0.029 0.000 0.988 312 S CB -0.158 62.999 63.200 -0.072 0.000 0.838 312 S HN 0.590 nan 8.310 nan 0.000 0.462 313 E N 1.180 121.406 120.200 0.043 0.000 2.058 313 E HA -0.124 4.227 4.350 0.001 0.000 0.194 313 E C 2.011 178.563 176.600 -0.080 0.000 0.997 313 E CA 1.076 57.512 56.400 0.059 0.000 0.801 313 E CB -0.356 29.401 29.700 0.095 0.000 0.746 313 E HN 0.401 nan 8.360 nan 0.000 0.450 314 L N 0.615 121.719 121.223 -0.198 0.000 2.079 314 L HA -0.204 4.137 4.340 0.001 0.000 0.210 314 L C 2.591 179.261 176.870 -0.332 0.000 1.081 314 L CA 1.004 55.603 54.840 -0.403 0.000 0.752 314 L CB -0.534 41.265 42.059 -0.433 0.000 0.896 314 L HN 0.159 nan 8.230 nan 0.000 0.433 315 A N -0.768 121.949 122.820 -0.171 0.000 1.902 315 A HA -0.214 4.107 4.320 0.001 0.000 0.217 315 A C 2.408 179.926 177.584 -0.109 0.000 1.181 315 A CA 1.826 53.792 52.037 -0.118 0.000 0.623 315 A CB -1.121 17.857 19.000 -0.037 0.000 0.818 315 A HN 0.531 nan 8.150 nan 0.000 0.443 316 C N -1.031 118.238 119.300 -0.052 0.000 2.446 316 C HA 0.087 4.547 4.460 0.001 0.000 0.277 316 C C 3.316 178.266 174.990 -0.067 0.000 1.275 316 C CA 0.685 59.709 59.018 0.009 0.000 1.727 316 C CB -1.336 26.488 27.740 0.139 0.000 2.010 316 C HN 0.701 nan 8.230 nan 0.000 0.486 317 A N 0.360 123.079 122.820 -0.168 0.000 1.902 317 A HA -0.106 4.215 4.320 0.001 0.000 0.217 317 A C 2.095 179.435 177.584 -0.407 0.000 1.181 317 A CA 1.501 53.321 52.037 -0.362 0.000 0.623 317 A CB -0.570 18.029 19.000 -0.668 0.000 0.818 317 A HN 0.617 nan 8.150 nan 0.000 0.443 318 L N -0.888 120.073 121.223 -0.437 0.000 2.109 318 L HA -0.039 4.302 4.340 0.001 0.000 0.207 318 L C 2.797 179.577 176.870 -0.150 0.000 1.086 318 L CA 0.825 55.490 54.840 -0.293 0.000 0.760 318 L CB -0.668 41.221 42.059 -0.284 0.000 0.910 318 L HN 0.479 nan 8.230 nan 0.000 0.437 319 G N -0.307 108.412 108.800 -0.135 0.000 2.422 319 G HA2 -0.216 3.745 3.960 0.001 0.000 0.218 319 G HA3 -0.216 3.745 3.960 0.001 0.000 0.218 319 G C 1.772 176.625 174.900 -0.078 0.000 1.146 319 G CA 0.276 45.328 45.100 -0.081 0.000 0.769 319 G HN 0.162 nan 8.290 nan 0.000 0.547 320 R N 0.275 120.698 120.500 -0.128 0.000 2.073 320 R HA 0.025 4.366 4.340 0.001 0.000 0.229 320 R C 2.546 178.789 176.300 -0.095 0.000 1.120 320 R CA 0.764 56.778 56.100 -0.143 0.000 0.967 320 R CB -0.301 29.786 30.300 -0.355 0.000 0.862 320 R HN 0.208 nan 8.270 nan 0.000 0.436 321 K N 0.510 120.867 120.400 -0.072 0.000 2.097 321 K HA -0.071 4.249 4.320 0.001 0.000 0.206 321 K C 2.036 178.636 176.600 0.000 0.000 1.049 321 K CA 0.969 57.260 56.287 0.006 0.000 0.933 321 K CB -0.544 32.009 32.500 0.089 0.000 0.717 321 K HN 0.024 nan 8.250 nan 0.000 0.442 322 S N 1.389 117.078 115.700 -0.018 0.000 2.402 322 S HA -0.219 4.251 4.470 0.001 0.000 0.233 322 S C 1.900 176.495 174.600 -0.009 0.000 1.030 322 S CA 1.383 59.575 58.200 -0.015 0.000 1.003 322 S CB -0.025 63.159 63.200 -0.027 0.000 0.813 322 S HN 0.333 nan 8.310 nan 0.000 0.477 323 Q N -0.006 119.787 119.800 -0.012 0.000 2.112 323 Q HA -0.135 4.205 4.340 0.001 0.000 0.206 323 Q C 2.485 178.487 176.000 0.003 0.000 0.987 323 Q CA 1.759 57.560 55.803 -0.004 0.000 0.858 323 Q CB -0.345 28.393 28.738 -0.000 0.000 0.905 323 Q HN 0.719 nan 8.270 nan 0.000 0.420 324 A N 0.499 123.323 122.820 0.007 0.000 1.903 324 A HA -0.096 4.224 4.320 0.001 0.000 0.213 324 A C 2.173 179.763 177.584 0.010 0.000 1.185 324 A CA 1.320 53.364 52.037 0.011 0.000 0.628 324 A CB -0.349 18.662 19.000 0.017 0.000 0.830 324 A HN 0.407 nan 8.150 nan 0.000 0.446 325 S N -1.779 113.927 115.700 0.010 0.000 2.446 325 S HA 0.328 4.798 4.470 0.001 0.000 0.225 325 S C 1.603 176.206 174.600 0.005 0.000 1.016 325 S CA 1.325 59.531 58.200 0.010 0.000 0.943 325 S CB -0.316 62.892 63.200 0.014 0.000 0.786 325 S HN 1.924 nan 8.310 nan 0.000 0.508 326 G N 1.229 110.030 108.800 0.002 0.000 2.162 326 G HA2 -0.276 3.685 3.960 0.001 0.000 0.260 326 G HA3 -0.276 3.685 3.960 0.001 0.000 0.260 326 G C 0.093 174.992 174.900 -0.002 0.000 0.976 326 G CA 0.284 45.383 45.100 -0.001 0.000 0.655 326 G HN 0.739 nan 8.290 nan 0.000 0.533 327 I N 1.006 121.576 120.570 -0.000 0.000 2.892 327 I HA 0.327 4.497 4.170 0.001 0.000 0.287 327 I C 0.854 176.967 176.117 -0.007 0.000 1.205 327 I CA -0.180 61.120 61.300 -0.001 0.000 1.409 327 I CB 0.644 38.646 38.000 0.004 0.000 1.367 327 I HN 0.367 nan 8.210 nan 0.000 0.597 328 E N 5.974 126.170 120.200 -0.006 0.000 2.283 328 E HA 0.407 4.757 4.350 0.001 0.000 0.278 328 E C -1.717 174.874 176.600 -0.015 0.000 1.027 328 E CA -0.650 55.743 56.400 -0.012 0.000 0.843 328 E CB 1.373 31.067 29.700 -0.010 0.000 1.062 328 E HN 0.425 nan 8.360 nan 0.000 0.401 329 V N 6.084 125.983 119.914 -0.025 0.000 2.531 329 V HA 0.442 4.562 4.120 0.001 0.000 0.301 329 V C -0.228 175.846 176.094 -0.033 0.000 1.034 329 V CA -0.681 61.599 62.300 -0.033 0.000 0.865 329 V CB 1.367 33.160 31.823 -0.051 0.000 0.995 329 V HN 0.653 nan 8.190 nan 0.000 0.424 330 I N 3.839 124.390 120.570 -0.031 0.000 2.509 330 I HA 0.557 4.727 4.170 0.001 0.000 0.293 330 I C -0.417 175.680 176.117 -0.032 0.000 1.020 330 I CA -0.433 60.844 61.300 -0.038 0.000 1.088 330 I CB 2.115 40.091 38.000 -0.039 0.000 1.267 330 I HN 0.638 nan 8.210 nan 0.000 0.430 331 Q N 6.587 126.367 119.800 -0.034 0.000 2.321 331 Q HA 0.688 5.028 4.340 0.001 0.000 0.270 331 Q C -1.922 174.029 176.000 -0.081 0.000 1.032 331 Q CA -0.859 54.948 55.803 0.007 0.000 0.784 331 Q CB 2.352 31.143 28.738 0.088 0.000 1.264 331 Q HN 0.616 nan 8.270 nan 0.000 0.448 332 L N 1.495 122.678 121.223 -0.065 0.000 2.388 332 L HA 0.907 5.247 4.340 0.001 0.000 0.264 332 L C -1.430 175.387 176.870 -0.089 0.000 0.998 332 L CA -0.701 53.985 54.840 -0.257 0.000 0.817 332 L CB 1.666 43.617 42.059 -0.181 0.000 1.338 332 L HN 0.579 nan 8.230 nan 0.000 0.414 333 F N -0.921 119.006 119.950 -0.039 0.000 2.744 333 F HA 0.723 5.251 4.527 0.000 0.000 0.311 333 F C -2.614 173.163 175.800 -0.038 0.000 1.144 333 F CA -1.472 56.503 58.000 -0.041 0.000 0.938 333 F CB 0.547 39.516 39.000 -0.053 0.000 1.292 333 F HN 0.300 nan 8.300 nan 0.000 0.444 334 P HA 0.071 nan 4.420 nan 0.000 0.231 334 P C -0.167 177.229 177.300 0.161 0.000 1.168 334 P CA 0.949 64.120 63.100 0.118 0.000 0.779 334 P CB 0.294 32.035 31.700 0.069 0.000 0.844 335 E N 0.268 120.635 120.200 0.279 0.000 2.416 335 E HA 0.090 4.440 4.350 0.001 0.000 0.254 335 E C 1.215 177.959 176.600 0.240 0.000 1.241 335 E CA 0.090 56.601 56.400 0.184 0.000 0.969 335 E CB 0.223 29.954 29.700 0.051 0.000 0.999 335 E HN -0.038 nan 8.360 nan 0.000 0.481 336 K N -0.149 120.331 120.400 0.133 0.000 2.442 336 K HA 0.093 4.413 4.320 0.001 0.000 0.198 336 K C 0.339 177.050 176.600 0.185 0.000 1.042 336 K CA 0.724 57.081 56.287 0.115 0.000 0.958 336 K CB 0.099 32.630 32.500 0.052 0.000 0.766 336 K HN 0.529 nan 8.250 nan 0.000 0.474 337 G N -0.062 108.895 108.800 0.262 0.000 2.387 337 G HA2 0.048 4.008 3.960 0.001 0.000 0.294 337 G HA3 0.048 4.008 3.960 0.001 0.000 0.294 337 G C -1.536 173.275 174.900 -0.149 0.000 1.509 337 G CA -1.001 44.236 45.100 0.228 0.000 0.806 337 G HN 0.007 nan 8.290 nan 0.000 0.546 338 N N 0.203 118.744 118.700 -0.265 0.000 2.294 338 N HA 0.041 4.782 4.740 0.001 0.000 0.248 338 N C 0.823 176.025 175.510 -0.514 0.000 1.242 338 N CA 0.748 53.435 53.050 -0.605 0.000 0.848 338 N CB 0.186 38.481 38.487 -0.319 0.000 1.084 338 N HN 0.615 nan 8.380 nan 0.000 0.457 339 M N 0.291 119.507 119.600 -0.640 0.000 2.375 339 M HA -0.223 4.257 4.480 0.001 0.000 0.197 339 M C 1.357 177.426 176.300 -0.384 0.000 0.414 339 M CA 0.788 55.721 55.300 -0.612 0.000 0.442 339 M CB -1.778 30.280 32.600 -0.904 0.000 1.527 339 M HN 0.807 nan 8.290 nan 0.000 0.864 340 G N -0.058 108.550 108.800 -0.319 0.000 2.462 340 G HA2 -0.222 3.739 3.960 0.001 0.000 0.220 340 G HA3 -0.222 3.739 3.960 0.001 0.000 0.220 340 G C 1.417 176.237 174.900 -0.134 0.000 1.121 340 G CA 1.104 46.093 45.100 -0.184 0.000 0.758 340 G HN 0.592 nan 8.290 nan 0.000 0.559 341 K N -0.619 119.691 120.400 -0.150 0.000 2.439 341 K HA 0.262 4.582 4.320 0.001 0.000 0.197 341 K C 1.778 178.332 176.600 -0.076 0.000 1.041 341 K CA 0.373 56.603 56.287 -0.095 0.000 0.970 341 K CB 0.126 32.570 32.500 -0.094 0.000 0.773 341 K HN 0.388 nan 8.250 nan 0.000 0.479 342 I N -0.476 120.032 120.570 -0.103 0.000 3.570 342 I HA 0.036 4.206 4.170 0.001 0.000 0.270 342 I C 0.300 176.444 176.117 0.045 0.000 1.162 342 I CA -0.148 61.123 61.300 -0.050 0.000 1.413 342 I CB 0.446 38.415 38.000 -0.051 0.000 1.437 342 I HN -0.082 nan 8.210 nan 0.000 0.457 343 L N 2.550 123.753 121.223 -0.034 0.000 2.395 343 L HA 0.281 4.621 4.340 0.001 0.000 0.269 343 L C -2.214 174.588 176.870 -0.113 0.000 1.133 343 L CA -1.795 53.028 54.840 -0.028 0.000 0.812 343 L CB -0.143 41.845 42.059 -0.119 0.000 1.125 343 L HN -0.169 nan 8.230 nan 0.000 0.452 344 P HA -0.058 nan 4.420 nan 0.000 0.268 344 P C 0.170 177.212 177.300 -0.431 0.000 1.208 344 P CA -0.180 62.688 63.100 -0.387 0.000 0.777 344 P CB 0.482 31.722 31.700 -0.768 0.000 0.875 345 Q N 1.989 121.640 119.800 -0.248 0.000 2.112 345 Q HA -0.232 4.108 4.340 0.001 0.000 0.206 345 Q C 1.865 177.794 176.000 -0.119 0.000 0.987 345 Q CA 2.264 57.989 55.803 -0.129 0.000 0.858 345 Q CB -0.612 28.111 28.738 -0.024 0.000 0.905 345 Q HN 0.646 nan 8.270 nan 0.000 0.420 346 Y N -0.758 119.527 120.300 -0.026 0.000 2.151 346 Y HA -0.223 4.327 4.550 0.000 0.000 0.284 346 Y C 2.030 177.902 175.900 -0.048 0.000 1.166 346 Y CA 1.084 59.158 58.100 -0.042 0.000 1.163 346 Y CB -0.876 37.535 38.460 -0.082 0.000 0.974 346 Y HN 0.118 nan 8.280 nan 0.000 0.511 347 L N 0.196 121.192 121.223 -0.378 0.000 2.270 347 L HA 0.005 4.345 4.340 0.001 0.000 0.210 347 L C 2.692 179.537 176.870 -0.041 0.000 1.104 347 L CA 1.567 56.281 54.840 -0.210 0.000 0.804 347 L CB -0.878 40.963 42.059 -0.363 0.000 0.937 347 L HN 0.440 nan 8.230 nan 0.000 0.450 348 S N -0.498 115.135 115.700 -0.110 0.000 2.359 348 S HA -0.252 4.218 4.470 0.001 0.000 0.224 348 S C 2.018 176.630 174.600 0.020 0.000 1.035 348 S CA 1.868 60.027 58.200 -0.069 0.000 1.018 348 S CB -0.521 62.613 63.200 -0.110 0.000 0.876 348 S HN 0.678 nan 8.310 nan 0.000 0.448 349 N N -0.993 117.733 118.700 0.044 0.000 2.142 349 N HA -0.164 4.576 4.740 0.001 0.000 0.186 349 N C 1.734 177.310 175.510 0.112 0.000 1.023 349 N CA 1.487 54.581 53.050 0.072 0.000 0.852 349 N CB -0.421 38.109 38.487 0.072 0.000 0.998 349 N HN 0.675 nan 8.380 nan 0.000 0.424 350 W N 1.946 123.227 121.300 -0.033 0.000 2.318 350 W HA -0.171 4.489 4.660 0.000 0.000 0.313 350 W C 2.243 178.777 176.519 0.025 0.000 1.221 350 W CA 2.014 59.348 57.345 -0.019 0.000 1.266 350 W CB -0.622 28.781 29.460 -0.095 0.000 1.150 350 W HN -0.052 nan 8.180 nan 0.000 0.496 351 T N 1.000 115.777 114.554 0.373 0.000 2.746 351 T HA -0.317 4.034 4.350 0.001 0.000 0.267 351 T C 1.789 176.498 174.700 0.015 0.000 1.039 351 T CA 1.861 64.119 62.100 0.263 0.000 1.142 351 T CB -0.556 68.478 68.868 0.277 0.000 0.866 351 T HN 0.308 nan 8.240 nan 0.000 0.444 352 M N 0.780 120.390 119.600 0.016 0.000 2.159 352 M HA -0.123 4.357 4.480 0.001 0.000 0.263 352 M C 2.216 178.488 176.300 -0.048 0.000 1.063 352 M CA 1.695 57.008 55.300 0.022 0.000 1.110 352 M CB -0.002 32.644 32.600 0.078 0.000 1.374 352 M HN 0.059 nan 8.290 nan 0.000 0.411 353 E N 0.394 120.519 120.200 -0.126 0.000 2.152 353 E HA -0.191 4.160 4.350 0.001 0.000 0.192 353 E C 1.776 178.232 176.600 -0.241 0.000 0.983 353 E CA 1.263 57.560 56.400 -0.171 0.000 0.818 353 E CB -0.026 29.560 29.700 -0.190 0.000 0.758 353 E HN 0.321 nan 8.360 nan 0.000 0.467 354 K N -0.143 120.022 120.400 -0.391 0.000 2.032 354 K HA -0.088 4.232 4.320 0.001 0.000 0.209 354 K C 1.902 178.416 176.600 -0.143 0.000 1.048 354 K CA 1.680 57.740 56.287 -0.379 0.000 0.927 354 K CB -0.687 31.460 32.500 -0.589 0.000 0.712 354 K HN 0.088 nan 8.250 nan 0.000 0.441 355 V N 1.197 121.066 119.914 -0.074 0.000 2.261 355 V HA -0.268 3.853 4.120 0.001 0.000 0.246 355 V C 2.250 178.328 176.094 -0.027 0.000 1.047 355 V CA 2.137 64.429 62.300 -0.013 0.000 1.015 355 V CB -0.472 31.364 31.823 0.022 0.000 0.642 355 V HN 0.361 nan 8.190 nan 0.000 0.446 356 K N -0.213 120.163 120.400 -0.039 0.000 2.074 356 K HA -0.222 4.099 4.320 0.001 0.000 0.209 356 K C 2.282 178.854 176.600 -0.046 0.000 1.048 356 K CA 1.742 58.005 56.287 -0.041 0.000 0.926 356 K CB -0.247 32.224 32.500 -0.048 0.000 0.713 356 K HN 0.358 nan 8.250 nan 0.000 0.444 357 R N 0.573 121.035 120.500 -0.063 0.000 2.285 357 R HA -0.045 4.295 4.340 0.001 0.000 0.213 357 R C 1.299 177.580 176.300 -0.031 0.000 1.068 357 R CA 0.579 56.646 56.100 -0.054 0.000 1.004 357 R CB 0.150 30.403 30.300 -0.077 0.000 0.873 357 R HN 0.154 nan 8.270 nan 0.000 0.467 358 E N -0.309 119.877 120.200 -0.023 0.000 2.502 358 E HA 0.039 4.389 4.350 0.001 0.000 0.194 358 E C 0.651 177.240 176.600 -0.018 0.000 1.062 358 E CA 0.620 57.016 56.400 -0.007 0.000 0.867 358 E CB 0.667 30.372 29.700 0.009 0.000 0.888 358 E HN 0.454 nan 8.360 nan 0.000 0.510 359 G N 0.764 109.549 108.800 -0.024 0.000 2.270 359 G HA2 -0.207 3.754 3.960 0.001 0.000 0.224 359 G HA3 -0.207 3.754 3.960 0.001 0.000 0.224 359 G C -0.102 174.780 174.900 -0.030 0.000 1.079 359 G CA 0.099 45.183 45.100 -0.026 0.000 0.807 359 G HN 0.095 nan 8.290 nan 0.000 0.492 360 V N 0.085 119.981 119.914 -0.030 0.000 2.604 360 V HA 0.563 4.683 4.120 0.001 0.000 0.305 360 V C 0.556 176.630 176.094 -0.033 0.000 1.043 360 V CA -1.035 61.247 62.300 -0.031 0.000 0.888 360 V CB 2.052 33.861 31.823 -0.024 0.000 0.995 360 V HN 0.394 nan 8.190 nan 0.000 0.429 361 K N 3.655 124.032 120.400 -0.039 0.000 2.273 361 K HA 0.481 4.801 4.320 0.001 0.000 0.287 361 K C -1.006 175.555 176.600 -0.065 0.000 1.089 361 K CA -0.264 55.994 56.287 -0.049 0.000 0.909 361 K CB 0.810 33.281 32.500 -0.049 0.000 1.123 361 K HN 0.523 nan 8.250 nan 0.000 0.473 362 V N 6.499 126.371 119.914 -0.070 0.000 2.439 362 V HA 0.283 4.403 4.120 0.001 0.000 0.282 362 V C 0.155 176.130 176.094 -0.199 0.000 1.039 362 V CA -0.452 61.784 62.300 -0.108 0.000 0.913 362 V CB 1.304 33.111 31.823 -0.025 0.000 0.983 362 V HN 0.819 nan 8.190 nan 0.000 0.460 363 M N 7.949 127.340 119.600 -0.348 0.000 2.065 363 M HA 0.346 4.826 4.480 0.001 0.000 0.308 363 M C -2.653 173.264 176.300 -0.638 0.000 0.939 363 M CA -1.515 53.563 55.300 -0.370 0.000 0.890 363 M CB 1.670 34.117 32.600 -0.255 0.000 1.383 363 M HN 0.392 nan 8.290 nan 0.000 0.381 364 P HA 0.241 nan 4.420 nan 0.000 0.276 364 P C -0.711 176.436 177.300 -0.254 0.000 1.261 364 P CA 0.100 62.861 63.100 -0.564 0.000 0.800 364 P CB 0.386 31.991 31.700 -0.159 0.000 1.066 365 N N -3.129 115.508 118.700 -0.105 0.000 2.725 365 N HA -0.162 4.579 4.740 0.001 0.000 0.249 365 N C -0.443 175.023 175.510 -0.073 0.000 1.103 365 N CA 0.584 53.605 53.050 -0.048 0.000 0.707 365 N CB -1.936 36.527 38.487 -0.041 0.000 1.043 365 N HN 0.616 nan 8.380 nan 0.000 0.553 366 A N 0.496 123.253 122.820 -0.105 0.000 2.271 366 A HA 0.740 5.060 4.320 0.001 0.000 0.317 366 A C -0.076 177.483 177.584 -0.042 0.000 1.245 366 A CA -0.400 51.581 52.037 -0.093 0.000 0.857 366 A CB 0.748 19.658 19.000 -0.150 0.000 1.175 366 A HN 0.294 nan 8.150 nan 0.000 0.512 367 I N 3.143 123.695 120.570 -0.030 0.000 2.389 367 I HA 0.233 4.403 4.170 0.001 0.000 0.288 367 I C -0.456 175.650 176.117 -0.018 0.000 0.999 367 I CA -0.786 60.505 61.300 -0.014 0.000 1.129 367 I CB 2.082 40.076 38.000 -0.009 0.000 1.288 367 I HN 0.341 nan 8.210 nan 0.000 0.444 368 V N 6.887 126.794 119.914 -0.013 0.000 2.439 368 V HA 0.011 4.131 4.120 0.001 0.000 0.271 368 V C 1.062 177.148 176.094 -0.012 0.000 1.040 368 V CA 0.195 62.486 62.300 -0.015 0.000 1.002 368 V CB 0.970 32.786 31.823 -0.011 0.000 1.000 368 V HN 0.870 nan 8.190 nan 0.000 0.477 369 Q N 3.737 123.528 119.800 -0.015 0.000 2.123 369 Q HA 0.034 4.374 4.340 0.001 0.000 0.196 369 Q C 0.717 176.710 176.000 -0.011 0.000 0.958 369 Q CA 1.171 56.967 55.803 -0.012 0.000 0.841 369 Q CB 0.570 29.300 28.738 -0.014 0.000 0.915 369 Q HN 0.934 nan 8.270 nan 0.000 0.455 370 S N -1.794 113.899 115.700 -0.013 0.000 2.578 370 S HA 0.560 5.031 4.470 0.001 0.000 0.272 370 S C -1.209 173.382 174.600 -0.014 0.000 1.145 370 S CA -0.996 57.197 58.200 -0.012 0.000 0.835 370 S CB 1.801 64.994 63.200 -0.011 0.000 1.104 370 S HN -0.017 nan 8.310 nan 0.000 0.458 371 V N 0.644 120.549 119.914 -0.014 0.000 2.709 371 V HA 0.967 5.088 4.120 0.001 0.000 0.308 371 V C 0.641 176.727 176.094 -0.013 0.000 1.062 371 V CA 0.237 62.527 62.300 -0.016 0.000 0.901 371 V CB 1.378 33.189 31.823 -0.020 0.000 1.003 371 V HN 1.504 nan 8.190 nan 0.000 0.425 372 G N 1.728 110.520 108.800 -0.013 0.000 2.721 372 G HA2 0.660 4.620 3.960 0.001 0.000 0.296 372 G HA3 0.660 4.620 3.960 0.001 0.000 0.296 372 G C -1.781 173.113 174.900 -0.009 0.000 1.383 372 G CA -0.615 44.479 45.100 -0.010 0.000 0.788 372 G HN 0.559 nan 8.290 nan 0.000 0.500 373 V N 0.538 120.449 119.914 -0.006 0.000 2.435 373 V HA 0.724 4.844 4.120 0.001 0.000 0.290 373 V C 0.141 176.233 176.094 -0.003 0.000 1.030 373 V CA -0.495 61.803 62.300 -0.003 0.000 0.881 373 V CB 1.127 32.950 31.823 -0.000 0.000 0.983 373 V HN 0.806 nan 8.190 nan 0.000 0.445 374 S N 2.895 118.594 115.700 -0.002 0.000 2.549 374 S HA 0.644 5.115 4.470 0.001 0.000 0.280 374 S C 0.837 175.437 174.600 -0.000 0.000 1.109 374 S CA 0.353 58.552 58.200 -0.002 0.000 0.905 374 S CB 1.594 64.791 63.200 -0.004 0.000 1.081 374 S HN 1.883 nan 8.310 nan 0.000 0.477 375 G N 2.057 110.857 108.800 0.000 0.000 2.219 375 G HA2 -0.133 3.827 3.960 0.001 0.000 0.271 375 G HA3 -0.133 3.827 3.960 0.001 0.000 0.271 375 G C 1.405 176.307 174.900 0.004 0.000 0.991 375 G CA 1.271 46.371 45.100 0.001 0.000 0.685 375 G HN 2.252 nan 8.290 nan 0.000 0.531 376 G N -1.872 106.931 108.800 0.005 0.000 2.213 376 G HA2 -0.221 3.739 3.960 0.001 0.000 0.236 376 G HA3 -0.221 3.739 3.960 0.001 0.000 0.236 376 G C 0.474 175.380 174.900 0.011 0.000 0.991 376 G CA 0.971 46.076 45.100 0.008 0.000 0.629 376 G HN 1.063 nan 8.290 nan 0.000 0.517 377 R N -0.399 120.106 120.500 0.008 0.000 2.797 377 R HA 0.778 5.118 4.340 0.001 0.000 0.251 377 R C 0.287 176.590 176.300 0.004 0.000 1.107 377 R CA -0.967 55.139 56.100 0.010 0.000 1.084 377 R CB 0.961 31.267 30.300 0.009 0.000 1.205 377 R HN 0.155 nan 8.270 nan 0.000 0.515 378 L N 1.446 122.670 121.223 0.003 0.000 2.397 378 L HA 0.326 4.667 4.340 0.001 0.000 0.271 378 L C -0.141 176.723 176.870 -0.009 0.000 1.148 378 L CA -0.247 54.589 54.840 -0.007 0.000 0.825 378 L CB 0.493 42.542 42.059 -0.016 0.000 1.117 378 L HN 0.334 nan 8.230 nan 0.000 0.456 379 L N 4.949 126.164 121.223 -0.012 0.000 2.388 379 L HA 0.491 4.831 4.340 0.001 0.000 0.267 379 L C -0.662 176.197 176.870 -0.017 0.000 0.995 379 L CA -0.379 54.453 54.840 -0.014 0.000 0.864 379 L CB 1.210 43.263 42.059 -0.011 0.000 1.216 379 L HN 0.542 nan 8.230 nan 0.000 0.430 380 I N 4.405 124.963 120.570 -0.020 0.000 2.342 380 I HA 0.257 4.428 4.170 0.001 0.000 0.291 380 I C -0.043 176.059 176.117 -0.023 0.000 1.010 380 I CA -0.410 60.877 61.300 -0.023 0.000 1.308 380 I CB 1.123 39.106 38.000 -0.027 0.000 1.400 380 I HN 0.429 nan 8.210 nan 0.000 0.488 381 K N 7.148 127.535 120.400 -0.021 0.000 2.185 381 K HA 0.611 4.931 4.320 0.001 0.000 0.269 381 K C -0.908 175.678 176.600 -0.024 0.000 0.987 381 K CA -0.602 55.672 56.287 -0.022 0.000 0.865 381 K CB 1.842 34.332 32.500 -0.017 0.000 1.090 381 K HN 0.462 nan 8.250 nan 0.000 0.450 382 L N 2.569 123.775 121.223 -0.028 0.000 2.360 382 L HA 0.296 4.636 4.340 0.001 0.000 0.271 382 L C 1.633 178.488 176.870 -0.025 0.000 1.057 382 L CA -0.550 54.272 54.840 -0.030 0.000 0.803 382 L CB 1.021 43.056 42.059 -0.041 0.000 1.207 382 L HN 0.665 nan 8.230 nan 0.000 0.445 383 K N 0.955 121.341 120.400 -0.023 0.000 2.152 383 K HA -0.193 4.128 4.320 0.001 0.000 0.206 383 K C 1.059 177.647 176.600 -0.019 0.000 1.048 383 K CA 1.951 58.227 56.287 -0.018 0.000 0.933 383 K CB 0.099 32.590 32.500 -0.016 0.000 0.721 383 K HN 0.831 nan 8.250 nan 0.000 0.447 384 D N -1.947 118.439 120.400 -0.024 0.000 2.328 384 D HA 0.068 4.708 4.640 0.001 0.000 0.226 384 D C 1.008 177.293 176.300 -0.024 0.000 1.066 384 D CA 0.707 54.693 54.000 -0.024 0.000 0.861 384 D CB 0.568 41.351 40.800 -0.028 0.000 0.912 384 D HN 0.371 nan 8.370 nan 0.000 0.521 385 G N -0.107 108.679 108.800 -0.024 0.000 2.339 385 G HA2 -0.282 3.678 3.960 0.001 0.000 0.209 385 G HA3 -0.282 3.678 3.960 0.001 0.000 0.209 385 G C 0.417 175.302 174.900 -0.025 0.000 1.015 385 G CA -0.304 44.783 45.100 -0.022 0.000 0.635 385 G HN 0.426 nan 8.290 nan 0.000 0.499 386 R N 1.284 121.765 120.500 -0.031 0.000 2.756 386 R HA 0.485 4.825 4.340 0.001 0.000 0.264 386 R C 0.452 176.732 176.300 -0.033 0.000 1.026 386 R CA 0.989 57.068 56.100 -0.035 0.000 1.121 386 R CB 0.278 30.550 30.300 -0.047 0.000 0.999 386 R HN 0.634 nan 8.270 nan 0.000 0.449 387 K N -0.706 119.675 120.400 -0.032 0.000 2.482 387 K HA 0.512 4.833 4.320 0.001 0.000 0.251 387 K C -1.397 175.185 176.600 -0.030 0.000 0.936 387 K CA -0.960 55.309 56.287 -0.029 0.000 0.791 387 K CB 1.909 34.395 32.500 -0.022 0.000 1.213 387 K HN 0.185 nan 8.250 nan 0.000 0.428 388 V N 1.892 121.788 119.914 -0.030 0.000 2.459 388 V HA 0.321 4.441 4.120 0.001 0.000 0.295 388 V C -0.508 175.572 176.094 -0.022 0.000 1.029 388 V CA -0.697 61.585 62.300 -0.030 0.000 0.874 388 V CB 1.412 33.213 31.823 -0.037 0.000 0.985 388 V HN 0.888 nan 8.190 nan 0.000 0.438 389 E N 2.302 122.491 120.200 -0.018 0.000 2.156 389 E HA 0.648 4.999 4.350 0.001 0.000 0.279 389 E C -0.624 175.972 176.600 -0.007 0.000 0.965 389 E CA -0.052 56.341 56.400 -0.011 0.000 0.789 389 E CB 1.589 31.283 29.700 -0.010 0.000 1.098 389 E HN 0.806 nan 8.360 nan 0.000 0.397 390 T N 2.028 116.581 114.554 -0.001 0.000 2.749 390 T HA 0.167 4.518 4.350 0.001 0.000 0.310 390 T C -0.831 173.883 174.700 0.023 0.000 1.496 390 T CA -0.598 61.507 62.100 0.009 0.000 1.006 390 T CB 1.191 70.062 68.868 0.005 0.000 1.457 390 T HN 0.438 nan 8.240 nan 0.000 0.497 391 D N -0.139 120.289 120.400 0.048 0.000 2.423 391 D HA 0.187 4.827 4.640 0.001 0.000 0.208 391 D C 0.075 176.458 176.300 0.137 0.000 1.068 391 D CA 0.452 54.496 54.000 0.072 0.000 0.860 391 D CB 0.633 41.474 40.800 0.068 0.000 0.992 391 D HN 0.526 nan 8.370 nan 0.000 0.504 392 H N -0.751 118.327 119.070 0.013 0.000 3.064 392 H HA 0.498 5.054 4.556 0.001 0.000 0.352 392 H C -1.683 173.658 175.328 0.022 0.000 1.260 392 H CA -0.500 55.561 56.048 0.022 0.000 1.160 392 H CB 1.602 31.383 29.762 0.032 0.000 1.879 392 H HN -0.250 nan 8.280 nan 0.000 0.544 393 I N 3.886 124.231 120.570 -0.375 0.000 2.498 393 I HA 0.417 4.588 4.170 0.001 0.000 0.290 393 I C -0.832 175.236 176.117 -0.083 0.000 1.032 393 I CA -1.015 60.200 61.300 -0.141 0.000 1.073 393 I CB 2.058 39.983 38.000 -0.125 0.000 1.251 393 I HN 0.251 nan 8.210 nan 0.000 0.426 394 V N 3.411 123.362 119.914 0.062 0.000 2.459 394 V HA 0.556 4.677 4.120 0.001 0.000 0.295 394 V C 0.191 176.333 176.094 0.081 0.000 1.029 394 V CA -0.639 61.736 62.300 0.124 0.000 0.874 394 V CB 1.568 33.480 31.823 0.148 0.000 0.985 394 V HN 0.834 nan 8.190 nan 0.000 0.438 395 T N 0.822 115.435 114.554 0.098 0.000 2.925 395 T HA 0.808 5.158 4.350 0.001 0.000 0.285 395 T C -0.128 174.636 174.700 0.106 0.000 1.021 395 T CA -0.314 61.833 62.100 0.079 0.000 1.042 395 T CB 1.934 70.838 68.868 0.060 0.000 1.037 395 T HN 1.257 nan 8.240 nan 0.000 0.481 396 A N 2.177 125.044 122.820 0.079 0.000 3.266 396 A HA 0.549 4.870 4.320 0.001 0.000 0.310 396 A C 0.371 177.988 177.584 0.054 0.000 1.066 396 A CA -0.545 51.542 52.037 0.083 0.000 0.839 396 A CB 0.126 19.163 19.000 0.062 0.000 1.192 396 A HN 1.558 nan 8.150 nan 0.000 0.496 397 V N -1.352 118.594 119.914 0.053 0.000 2.940 397 V HA 0.694 4.814 4.120 0.001 0.000 0.366 397 V C 0.578 176.689 176.094 0.028 0.000 1.353 397 V CA 0.220 62.539 62.300 0.033 0.000 1.232 397 V CB -0.840 31.001 31.823 0.030 0.000 1.278 397 V HN 2.076 nan 8.190 nan 0.000 0.546 398 G N 0.431 109.254 108.800 0.038 0.000 2.483 398 G HA2 0.154 4.114 3.960 0.001 0.000 0.521 398 G HA3 0.154 4.114 3.960 0.001 0.000 0.521 398 G C -1.616 173.310 174.900 0.043 0.000 1.278 398 G CA -0.210 44.910 45.100 0.033 0.000 0.965 398 G HN 0.923 nan 8.290 nan 0.000 0.504 399 L N -0.454 120.790 121.223 0.035 0.000 2.388 399 L HA 0.880 5.220 4.340 0.001 0.000 0.264 399 L C -0.502 176.384 176.870 0.026 0.000 0.998 399 L CA -0.812 54.053 54.840 0.040 0.000 0.817 399 L CB 2.164 44.253 42.059 0.050 0.000 1.338 399 L HN 0.877 nan 8.230 nan 0.000 0.414 400 E N 4.646 124.860 120.200 0.023 0.000 2.133 400 E HA 0.513 4.863 4.350 0.001 0.000 0.274 400 E C -2.524 174.080 176.600 0.007 0.000 0.930 400 E CA -2.252 54.152 56.400 0.007 0.000 0.770 400 E CB 1.493 31.194 29.700 0.001 0.000 1.104 400 E HN 0.296 nan 8.360 nan 0.000 0.403 401 P HA -0.001 nan 4.420 nan 0.000 0.265 401 P C -1.010 176.269 177.300 -0.035 0.000 1.193 401 P CA 0.218 63.313 63.100 -0.008 0.000 0.765 401 P CB 0.381 32.058 31.700 -0.037 0.000 0.823 402 N N 1.538 120.248 118.700 0.018 0.000 2.508 402 N HA 0.130 4.871 4.740 0.001 0.000 0.253 402 N C 0.463 175.978 175.510 0.010 0.000 1.145 402 N CA -0.373 52.697 53.050 0.033 0.000 0.973 402 N CB 0.144 38.684 38.487 0.087 0.000 1.305 402 N HN 0.224 nan 8.380 nan 0.000 0.506 403 V N -0.774 119.054 119.914 -0.144 0.000 3.121 403 V HA 0.189 4.309 4.120 0.001 0.000 0.344 403 V C 1.089 177.129 176.094 -0.090 0.000 1.390 403 V CA -0.193 61.876 62.300 -0.385 0.000 1.177 403 V CB -0.052 31.352 31.823 -0.699 0.000 1.163 403 V HN 0.441 nan 8.190 nan 0.000 0.484 404 E N 1.043 121.264 120.200 0.034 0.000 2.204 404 E HA -0.093 4.257 4.350 0.001 0.000 0.195 404 E C 1.782 178.440 176.600 0.095 0.000 0.990 404 E CA 1.482 57.912 56.400 0.050 0.000 0.821 404 E CB -0.140 29.592 29.700 0.053 0.000 0.750 404 E HN 0.639 nan 8.360 nan 0.000 0.477 405 L N 0.241 121.581 121.223 0.195 0.000 2.465 405 L HA -0.041 4.300 4.340 0.001 0.000 0.224 405 L C 2.380 179.380 176.870 0.216 0.000 1.145 405 L CA 0.206 55.155 54.840 0.182 0.000 0.834 405 L CB -0.295 41.869 42.059 0.176 0.000 0.944 405 L HN 0.135 nan 8.230 nan 0.000 0.451 406 A N 0.713 123.716 122.820 0.304 0.000 1.940 406 A HA -0.274 4.046 4.320 0.001 0.000 0.219 406 A C 2.382 180.029 177.584 0.106 0.000 1.176 406 A CA 2.123 54.324 52.037 0.273 0.000 0.631 406 A CB -0.313 18.756 19.000 0.115 0.000 0.814 406 A HN 0.380 nan 8.150 nan 0.000 0.446 407 K N -0.377 120.054 120.400 0.051 0.000 1.973 407 K HA -0.136 4.184 4.320 0.001 0.000 0.210 407 K C 2.178 178.764 176.600 -0.023 0.000 1.045 407 K CA 2.179 58.472 56.287 0.010 0.000 0.937 407 K CB -0.503 31.998 32.500 0.001 0.000 0.721 407 K HN 0.524 nan 8.250 nan 0.000 0.438 408 T N -2.299 112.206 114.554 -0.082 0.000 2.867 408 T HA -0.034 4.316 4.350 0.001 0.000 0.268 408 T C 1.959 176.577 174.700 -0.137 0.000 1.057 408 T CA 1.013 62.990 62.100 -0.206 0.000 1.136 408 T CB -0.606 67.921 68.868 -0.567 0.000 0.874 408 T HN 0.345 nan 8.240 nan 0.000 0.466 409 G N 0.660 109.424 108.800 -0.059 0.000 2.920 409 G HA2 0.390 4.350 3.960 0.001 0.000 0.208 409 G HA3 0.390 4.350 3.960 0.001 0.000 0.208 409 G C 1.173 176.081 174.900 0.013 0.000 1.159 409 G CA -0.033 45.061 45.100 -0.011 0.000 0.784 409 G HN 1.108 nan 8.290 nan 0.000 0.535 410 G N -0.099 108.711 108.800 0.015 0.000 2.341 410 G HA2 -0.271 3.689 3.960 0.001 0.000 0.292 410 G HA3 -0.271 3.689 3.960 0.001 0.000 0.292 410 G C 0.234 175.161 174.900 0.046 0.000 1.021 410 G CA 0.389 45.504 45.100 0.024 0.000 0.905 410 G HN 0.508 nan 8.290 nan 0.000 0.508 411 L N -0.627 120.648 121.223 0.087 0.000 2.343 411 L HA 0.520 4.860 4.340 0.001 0.000 0.275 411 L C 0.800 177.756 176.870 0.144 0.000 1.056 411 L CA -0.863 54.059 54.840 0.137 0.000 0.804 411 L CB 1.513 43.718 42.059 0.243 0.000 1.203 411 L HN 0.338 nan 8.230 nan 0.000 0.440 412 E N 2.569 122.850 120.200 0.134 0.000 2.289 412 E HA 0.341 4.691 4.350 0.001 0.000 0.278 412 E C -1.018 175.639 176.600 0.096 0.000 1.032 412 E CA -0.495 55.961 56.400 0.093 0.000 0.854 412 E CB 1.002 30.747 29.700 0.076 0.000 1.046 412 E HN 0.405 nan 8.360 nan 0.000 0.409 413 I N 3.793 124.371 120.570 0.014 0.000 2.385 413 I HA 0.075 4.245 4.170 0.001 0.000 0.294 413 I C 0.415 176.522 176.117 -0.017 0.000 0.988 413 I CA -0.573 60.693 61.300 -0.056 0.000 1.265 413 I CB 1.272 39.198 38.000 -0.125 0.000 1.388 413 I HN 0.543 nan 8.210 nan 0.000 0.480 414 D N 4.495 124.898 120.400 0.005 0.000 2.358 414 D HA -0.012 4.629 4.640 0.001 0.000 0.258 414 D C 1.170 177.443 176.300 -0.045 0.000 1.223 414 D CA 0.068 54.081 54.000 0.023 0.000 0.886 414 D CB 1.171 42.037 40.800 0.110 0.000 1.120 414 D HN 0.674 nan 8.370 nan 0.000 0.482 415 S N 2.945 118.602 115.700 -0.072 0.000 2.423 415 S HA -0.153 4.317 4.470 0.001 0.000 0.231 415 S C 1.034 175.514 174.600 -0.200 0.000 1.014 415 S CA 0.677 58.811 58.200 -0.110 0.000 0.965 415 S CB 0.248 63.395 63.200 -0.087 0.000 0.785 415 S HN 0.441 nan 8.310 nan 0.000 0.495 416 D N 0.422 120.617 120.400 -0.342 0.000 2.262 416 D HA 0.209 4.849 4.640 0.001 0.000 0.212 416 D C 0.754 176.591 176.300 -0.772 0.000 0.964 416 D CA 0.730 54.326 54.000 -0.673 0.000 0.875 416 D CB -0.111 40.000 40.800 -1.148 0.000 0.996 416 D HN 0.542 nan 8.370 nan 0.000 0.497 417 F N -0.213 119.702 119.950 -0.058 0.000 2.728 417 F HA 0.410 4.938 4.527 0.001 0.000 0.314 417 F C 1.294 177.054 175.800 -0.066 0.000 1.094 417 F CA 0.051 58.008 58.000 -0.071 0.000 1.217 417 F CB 0.414 39.356 39.000 -0.097 0.000 1.056 417 F HN -0.097 nan 8.300 nan 0.000 0.577 418 G N 0.387 109.214 108.800 0.045 0.000 2.787 418 G HA2 0.380 4.340 3.960 0.001 0.000 0.685 418 G HA3 0.380 4.340 3.960 0.001 0.000 0.685 418 G C 0.127 175.033 174.900 0.011 0.000 1.437 418 G CA -0.328 44.771 45.100 -0.002 0.000 0.872 418 G HN 1.302 nan 8.290 nan 0.000 0.566 419 G N -1.352 107.405 108.800 -0.073 0.000 2.756 419 G HA2 0.289 4.249 3.960 0.001 0.000 0.678 419 G HA3 0.289 4.249 3.960 0.001 0.000 0.678 419 G C -0.200 174.641 174.900 -0.098 0.000 1.349 419 G CA 0.037 45.089 45.100 -0.081 0.000 0.847 419 G HN 1.733 nan 8.290 nan 0.000 0.548 420 F N 0.980 120.973 119.950 0.070 0.000 2.472 420 F HA 0.429 4.956 4.527 0.000 0.000 0.364 420 F C 1.710 177.559 175.800 0.082 0.000 1.090 420 F CA -0.144 57.893 58.000 0.062 0.000 1.188 420 F CB 0.875 39.906 39.000 0.053 0.000 1.105 420 F HN 0.363 nan 8.300 nan 0.000 0.536 421 R N 2.931 123.577 120.500 0.244 0.000 2.421 421 R HA 0.342 4.682 4.340 0.001 0.000 0.305 421 R C -0.667 175.745 176.300 0.188 0.000 1.039 421 R CA -0.257 55.959 56.100 0.194 0.000 1.003 421 R CB 0.503 30.889 30.300 0.144 0.000 0.959 421 R HN 0.579 nan 8.270 nan 0.000 0.427 422 V N 0.928 120.960 119.914 0.197 0.000 2.960 422 V HA 0.437 4.558 4.120 0.001 0.000 0.315 422 V C 0.130 176.330 176.094 0.177 0.000 1.087 422 V CA -1.200 61.196 62.300 0.161 0.000 0.982 422 V CB 1.827 33.746 31.823 0.161 0.000 1.039 422 V HN 0.930 nan 8.190 nan 0.000 0.437 423 N N 2.090 120.865 118.700 0.124 0.000 2.374 423 N HA 0.414 5.154 4.740 0.001 0.000 0.284 423 N C 1.236 176.857 175.510 0.185 0.000 1.280 423 N CA -0.206 52.920 53.050 0.127 0.000 0.963 423 N CB 1.324 39.847 38.487 0.060 0.000 1.141 423 N HN 0.917 nan 8.380 nan 0.000 0.565 424 A N -0.301 122.616 122.820 0.163 0.000 2.024 424 A HA -0.166 4.154 4.320 0.001 0.000 0.220 424 A C 1.599 179.304 177.584 0.202 0.000 1.164 424 A CA 1.276 53.447 52.037 0.223 0.000 0.643 424 A CB -0.678 18.433 19.000 0.185 0.000 0.806 424 A HN 0.826 nan 8.150 nan 0.000 0.451 425 E N -0.818 119.477 120.200 0.158 0.000 2.465 425 E HA 0.331 4.681 4.350 0.001 0.000 0.191 425 E C -0.067 176.688 176.600 0.257 0.000 1.053 425 E CA -0.098 56.408 56.400 0.177 0.000 0.869 425 E CB -0.046 29.765 29.700 0.185 0.000 0.977 425 E HN 0.513 nan 8.360 nan 0.000 0.483 426 L N 0.252 121.603 121.223 0.212 0.000 4.560 426 L HA -0.283 4.058 4.340 0.001 0.000 0.415 426 L C 0.427 177.407 176.870 0.183 0.000 1.123 426 L CA 0.333 55.296 54.840 0.205 0.000 0.991 426 L CB -1.648 40.501 42.059 0.150 0.000 2.127 426 L HN 0.296 nan 8.230 nan 0.000 0.765 427 Q N 0.056 119.861 119.800 0.007 0.000 2.261 427 Q HA 0.540 4.881 4.340 0.001 0.000 0.252 427 Q C 0.886 176.756 176.000 -0.216 0.000 0.915 427 Q CA 0.604 56.180 55.803 -0.379 0.000 0.915 427 Q CB 1.733 30.174 28.738 -0.495 0.000 1.204 427 Q HN 0.294 nan 8.270 nan 0.000 0.421 428 A N 4.606 127.268 122.820 -0.263 0.000 2.035 428 A HA 0.282 4.602 4.320 0.001 0.000 0.208 428 A C 0.556 178.057 177.584 -0.138 0.000 1.206 428 A CA 0.350 52.306 52.037 -0.134 0.000 0.773 428 A CB 0.535 19.463 19.000 -0.119 0.000 0.878 428 A HN 0.695 nan 8.150 nan 0.000 0.469 429 R N -1.754 118.614 120.500 -0.220 0.000 2.826 429 R HA 0.306 4.646 4.340 0.001 0.000 0.269 429 R C -1.106 175.052 176.300 -0.237 0.000 1.031 429 R CA -0.517 55.484 56.100 -0.165 0.000 0.900 429 R CB 0.786 31.029 30.300 -0.093 0.000 1.318 429 R HN 0.182 nan 8.270 nan 0.000 0.447 430 S N 2.522 118.134 115.700 -0.147 0.000 2.555 430 S HA 0.017 4.487 4.470 0.001 0.000 0.293 430 S C 0.440 174.963 174.600 -0.128 0.000 1.248 430 S CA 0.400 58.517 58.200 -0.138 0.000 1.096 430 S CB -0.190 62.976 63.200 -0.056 0.000 0.881 430 S HN 0.581 nan 8.310 nan 0.000 0.498 431 N N 0.407 118.960 118.700 -0.245 0.000 2.909 431 N HA -0.151 4.589 4.740 0.001 0.000 0.242 431 N C -0.804 174.645 175.510 -0.102 0.000 0.975 431 N CA 0.855 53.873 53.050 -0.055 0.000 0.921 431 N CB -0.898 37.739 38.487 0.250 0.000 1.112 431 N HN 0.444 nan 8.380 nan 0.000 0.581 432 I N 0.171 120.481 120.570 -0.433 0.000 2.389 432 I HA 0.355 4.525 4.170 0.001 0.000 0.288 432 I C 0.476 176.334 176.117 -0.432 0.000 0.999 432 I CA -0.435 60.703 61.300 -0.270 0.000 1.129 432 I CB 0.884 38.762 38.000 -0.204 0.000 1.288 432 I HN -0.033 nan 8.210 nan 0.000 0.444 433 W N 5.050 126.270 121.300 -0.133 0.000 2.762 433 W HA 0.735 5.395 4.660 0.001 0.000 0.355 433 W C -0.807 175.607 176.519 -0.175 0.000 1.124 433 W CA -0.740 56.532 57.345 -0.122 0.000 1.141 433 W CB 2.325 31.724 29.460 -0.102 0.000 1.432 433 W HN 0.070 nan 8.180 nan 0.000 0.586 434 V N 0.585 120.547 119.914 0.080 0.000 2.925 434 V HA 0.853 4.974 4.120 0.001 0.000 0.311 434 V C -0.277 175.819 176.094 0.003 0.000 1.104 434 V CA -0.887 61.401 62.300 -0.019 0.000 0.954 434 V CB 1.265 33.061 31.823 -0.045 0.000 1.022 434 V HN 0.675 nan 8.190 nan 0.000 0.427 435 A N 1.633 124.432 122.820 -0.034 0.000 2.583 435 A HA 1.036 5.356 4.320 0.001 0.000 0.289 435 A C 0.194 177.733 177.584 -0.074 0.000 1.151 435 A CA 0.023 51.983 52.037 -0.128 0.000 0.695 435 A CB 1.343 20.203 19.000 -0.234 0.000 1.290 435 A HN 2.484 nan 8.150 nan 0.000 0.419 436 G N 0.102 108.783 108.800 -0.197 0.000 2.593 436 G HA2 -0.140 3.820 3.960 0.001 0.000 0.237 436 G HA3 -0.140 3.820 3.960 0.001 0.000 0.237 436 G C 0.136 175.162 174.900 0.210 0.000 1.312 436 G CA 0.725 45.801 45.100 -0.040 0.000 0.896 436 G HN 0.864 nan 8.290 nan 0.000 0.574 437 D N 0.458 120.964 120.400 0.177 0.000 2.218 437 D HA 0.147 4.787 4.640 0.001 0.000 0.204 437 D C 2.600 179.006 176.300 0.175 0.000 0.976 437 D CA 1.942 56.047 54.000 0.176 0.000 0.853 437 D CB -0.502 40.374 40.800 0.127 0.000 0.939 437 D HN 0.920 nan 8.370 nan 0.000 0.481 438 A N -0.003 122.932 122.820 0.191 0.000 2.167 438 A HA 0.339 4.659 4.320 0.001 0.000 0.214 438 A C 1.201 178.984 177.584 0.331 0.000 1.151 438 A CA 0.609 52.797 52.037 0.252 0.000 0.735 438 A CB -0.087 19.115 19.000 0.337 0.000 0.802 438 A HN 0.177 nan 8.150 nan 0.000 0.467 439 A N -0.918 122.088 122.820 0.310 0.000 2.290 439 A HA 0.470 4.790 4.320 0.001 0.000 0.310 439 A C -0.073 177.709 177.584 0.330 0.000 1.202 439 A CA -0.292 51.951 52.037 0.344 0.000 0.837 439 A CB 0.206 19.402 19.000 0.327 0.000 1.139 439 A HN 0.670 nan 8.150 nan 0.000 0.509 440 C N 5.493 124.951 119.300 0.265 0.000 2.223 440 C HA 0.735 5.195 4.460 0.001 0.000 0.324 440 C C -0.177 174.923 174.990 0.184 0.000 1.196 440 C CA -1.059 58.047 59.018 0.146 0.000 1.628 440 C CB -2.455 25.365 27.740 0.133 0.000 2.229 440 C HN 0.690 nan 8.230 nan 0.000 0.486 441 F N 3.875 123.877 119.950 0.087 0.000 2.518 441 F HA 0.597 5.124 4.527 0.001 0.000 0.338 441 F C -0.861 175.030 175.800 0.151 0.000 1.065 441 F CA -1.581 56.518 58.000 0.165 0.000 1.012 441 F CB 0.595 39.734 39.000 0.232 0.000 1.297 441 F HN 0.498 nan 8.300 nan 0.000 0.489 442 Y N 2.322 122.792 120.300 0.283 0.000 2.518 442 Y HA 0.205 4.756 4.550 0.000 0.000 0.344 442 Y C 0.122 176.194 175.900 0.287 0.000 0.982 442 Y CA -0.781 57.409 58.100 0.151 0.000 1.234 442 Y CB -0.227 38.342 38.460 0.181 0.000 1.114 442 Y HN 0.699 nan 8.280 nan 0.000 0.515 443 D N 4.840 125.145 120.400 -0.159 0.000 2.425 443 D HA -0.091 4.549 4.640 0.001 0.000 0.247 443 D C 1.175 177.510 176.300 0.058 0.000 1.147 443 D CA 0.192 54.242 54.000 0.083 0.000 0.879 443 D CB 1.113 41.831 40.800 -0.137 0.000 1.179 443 D HN 0.818 nan 8.370 nan 0.000 0.456 444 I N 3.915 124.600 120.570 0.192 0.000 2.567 444 I HA -0.220 3.951 4.170 0.001 0.000 0.257 444 I C 1.663 177.805 176.117 0.040 0.000 1.184 444 I CA 1.278 62.666 61.300 0.147 0.000 1.451 444 I CB 0.199 38.228 38.000 0.048 0.000 1.089 444 I HN 0.226 nan 8.210 nan 0.000 0.441 445 K N -0.517 119.877 120.400 -0.009 0.000 2.329 445 K HA 0.308 4.628 4.320 0.001 0.000 0.198 445 K C 1.683 178.234 176.600 -0.081 0.000 1.085 445 K CA 0.818 57.085 56.287 -0.033 0.000 0.961 445 K CB 0.040 32.525 32.500 -0.025 0.000 0.971 445 K HN 0.303 nan 8.250 nan 0.000 0.502 446 L N -0.184 120.944 121.223 -0.160 0.000 2.590 446 L HA 0.207 4.547 4.340 0.001 0.000 0.227 446 L C 0.905 177.542 176.870 -0.388 0.000 1.099 446 L CA 0.229 54.931 54.840 -0.230 0.000 0.872 446 L CB 0.240 42.158 42.059 -0.236 0.000 1.088 446 L HN 0.292 nan 8.230 nan 0.000 0.479 447 G N 0.710 109.111 108.800 -0.665 0.000 2.584 447 G HA2 -0.265 3.695 3.960 0.001 0.000 0.229 447 G HA3 -0.265 3.695 3.960 0.001 0.000 0.229 447 G C -0.274 174.059 174.900 -0.945 0.000 1.320 447 G CA -0.643 43.758 45.100 -1.164 0.000 0.891 447 G HN 0.175 nan 8.290 nan 0.000 0.573 448 R N 0.622 120.744 120.500 -0.629 0.000 2.538 448 R HA 0.442 4.783 4.340 0.001 0.000 0.282 448 R C 0.887 176.650 176.300 -0.894 0.000 1.009 448 R CA 1.381 57.206 56.100 -0.457 0.000 1.063 448 R CB 0.247 30.544 30.300 -0.005 0.000 0.945 448 R HN 0.893 nan 8.270 nan 0.000 0.414 449 R N 1.176 121.111 120.500 -0.941 0.000 2.712 449 R HA 0.386 4.726 4.340 0.001 0.000 0.272 449 R C -1.744 174.037 176.300 -0.865 0.000 1.032 449 R CA -1.142 54.304 56.100 -1.090 0.000 0.874 449 R CB 1.158 30.880 30.300 -0.963 0.000 1.256 449 R HN 0.668 nan 8.270 nan 0.000 0.468 450 R N 1.222 121.397 120.500 -0.542 0.000 2.744 450 R HA 0.764 5.105 4.340 0.001 0.000 0.279 450 R C -1.222 174.948 176.300 -0.217 0.000 0.977 450 R CA -0.633 55.314 56.100 -0.255 0.000 0.906 450 R CB 2.442 32.710 30.300 -0.053 0.000 1.197 450 R HN 0.630 nan 8.270 nan 0.000 0.463 451 V N -1.346 118.471 119.914 -0.161 0.000 3.102 451 V HA 0.580 4.700 4.120 0.001 0.000 0.312 451 V C -0.738 175.256 176.094 -0.168 0.000 1.135 451 V CA -0.945 61.157 62.300 -0.330 0.000 1.022 451 V CB 2.208 33.544 31.823 -0.810 0.000 1.056 451 V HN 0.981 nan 8.190 nan 0.000 0.436 452 E N 1.540 121.662 120.200 -0.130 0.000 2.969 452 E HA 0.422 4.773 4.350 0.001 0.000 0.213 452 E C -1.393 175.394 176.600 0.312 0.000 1.107 452 E CA -0.460 55.994 56.400 0.089 0.000 1.007 452 E CB 0.285 30.036 29.700 0.085 0.000 1.326 452 E HN 0.744 nan 8.360 nan 0.000 0.432 453 H N -0.236 118.969 119.070 0.225 0.000 2.489 453 H HA 0.106 4.662 4.556 0.000 0.000 0.343 453 H C 0.615 176.129 175.328 0.311 0.000 1.086 453 H CA -0.901 55.336 56.048 0.315 0.000 1.198 453 H CB 1.235 31.212 29.762 0.357 0.000 1.490 453 H HN 0.382 nan 8.280 nan 0.000 0.504 454 H N 2.026 121.291 119.070 0.326 0.000 2.352 454 H HA -0.185 4.371 4.556 0.000 0.000 0.299 454 H C 1.511 177.037 175.328 0.330 0.000 1.097 454 H CA 2.474 58.702 56.048 0.299 0.000 1.311 454 H CB 0.387 30.339 29.762 0.316 0.000 1.377 454 H HN 0.701 nan 8.280 nan 0.000 0.504 455 D N -0.863 119.821 120.400 0.473 0.000 2.104 455 D HA -0.241 4.399 4.640 0.001 0.000 0.194 455 D C 2.294 178.754 176.300 0.265 0.000 0.994 455 D CA 1.669 55.893 54.000 0.373 0.000 0.830 455 D CB -0.521 40.568 40.800 0.481 0.000 0.959 455 D HN 0.622 nan 8.370 nan 0.000 0.452 456 H N -0.257 118.977 119.070 0.272 0.000 2.353 456 H HA -0.120 4.437 4.556 0.001 0.000 0.300 456 H C 1.880 177.206 175.328 -0.005 0.000 1.090 456 H CA 1.645 57.797 56.048 0.172 0.000 1.327 456 H CB -0.110 29.733 29.762 0.136 0.000 1.383 456 H HN 0.217 nan 8.280 nan 0.000 0.508 457 A N 0.687 123.439 122.820 -0.114 0.000 1.892 457 A HA -0.155 4.165 4.320 0.001 0.000 0.218 457 A C 2.839 180.256 177.584 -0.279 0.000 1.188 457 A CA 2.045 53.945 52.037 -0.228 0.000 0.631 457 A CB -1.016 17.918 19.000 -0.110 0.000 0.822 457 A HN 0.326 nan 8.150 nan 0.000 0.447 458 V N -0.497 119.266 119.914 -0.252 0.000 2.307 458 V HA -0.202 3.918 4.120 0.001 0.000 0.245 458 V C 2.591 178.554 176.094 -0.218 0.000 1.045 458 V CA 1.934 64.092 62.300 -0.237 0.000 1.024 458 V CB -0.757 30.954 31.823 -0.187 0.000 0.651 458 V HN 0.385 nan 8.190 nan 0.000 0.449 459 V N 1.003 120.800 119.914 -0.194 0.000 2.307 459 V HA -0.210 3.910 4.120 0.001 0.000 0.245 459 V C 2.722 178.701 176.094 -0.192 0.000 1.045 459 V CA 2.205 64.394 62.300 -0.185 0.000 1.024 459 V CB -1.003 30.661 31.823 -0.265 0.000 0.651 459 V HN 0.736 nan 8.190 nan 0.000 0.449 460 S N 1.146 116.613 115.700 -0.388 0.000 2.402 460 S HA -0.082 4.389 4.470 0.001 0.000 0.229 460 S C 2.072 176.412 174.600 -0.433 0.000 1.021 460 S CA 1.426 59.224 58.200 -0.670 0.000 0.974 460 S CB -0.829 61.639 63.200 -1.220 0.000 0.800 460 S HN 0.541 nan 8.310 nan 0.000 0.484 461 G N 1.933 110.519 108.800 -0.356 0.000 2.404 461 G HA2 -0.165 3.795 3.960 0.001 0.000 0.215 461 G HA3 -0.165 3.795 3.960 0.001 0.000 0.215 461 G C 1.545 176.288 174.900 -0.262 0.000 1.174 461 G CA 0.635 45.568 45.100 -0.278 0.000 0.780 461 G HN 0.559 nan 8.290 nan 0.000 0.537 462 R N -0.355 119.999 120.500 -0.243 0.000 2.083 462 R HA -0.058 4.283 4.340 0.001 0.000 0.237 462 R C 2.480 178.650 176.300 -0.217 0.000 1.137 462 R CA 1.606 57.573 56.100 -0.222 0.000 0.951 462 R CB -0.453 29.737 30.300 -0.182 0.000 0.851 462 R HN 0.338 nan 8.270 nan 0.000 0.434 463 L N 0.772 121.879 121.223 -0.194 0.000 2.046 463 L HA -0.062 4.279 4.340 0.001 0.000 0.208 463 L C 2.333 179.063 176.870 -0.234 0.000 1.077 463 L CA 2.154 56.895 54.840 -0.166 0.000 0.747 463 L CB -0.709 41.304 42.059 -0.077 0.000 0.896 463 L HN 0.288 nan 8.230 nan 0.000 0.432 464 A N -0.441 122.216 122.820 -0.271 0.000 1.883 464 A HA -0.148 4.172 4.320 0.001 0.000 0.217 464 A C 2.360 179.648 177.584 -0.495 0.000 1.186 464 A CA 1.792 53.613 52.037 -0.359 0.000 0.624 464 A CB -1.679 17.169 19.000 -0.254 0.000 0.822 464 A HN 0.543 nan 8.150 nan 0.000 0.444 465 G N -0.733 107.840 108.800 -0.379 0.000 2.440 465 G HA2 -0.277 3.684 3.960 0.001 0.000 0.218 465 G HA3 -0.277 3.684 3.960 0.001 0.000 0.218 465 G C 1.479 176.139 174.900 -0.401 0.000 1.154 465 G CA 1.149 46.011 45.100 -0.396 0.000 0.767 465 G HN 0.684 nan 8.290 nan 0.000 0.552 466 E N 0.457 120.464 120.200 -0.322 0.000 2.110 466 E HA -0.125 4.226 4.350 0.001 0.000 0.193 466 E C 2.223 178.658 176.600 -0.275 0.000 0.988 466 E CA 1.114 57.359 56.400 -0.258 0.000 0.804 466 E CB -0.227 29.360 29.700 -0.189 0.000 0.745 466 E HN 0.612 nan 8.360 nan 0.000 0.458 467 N N -0.539 117.940 118.700 -0.368 0.000 2.270 467 N HA -0.070 4.670 4.740 0.001 0.000 0.181 467 N C 1.765 176.903 175.510 -0.619 0.000 1.016 467 N CA 0.741 53.572 53.050 -0.365 0.000 0.870 467 N CB -0.004 38.318 38.487 -0.275 0.000 0.979 467 N HN 0.181 nan 8.380 nan 0.000 0.431 468 M N 0.181 119.216 119.600 -0.940 0.000 2.267 468 M HA -0.099 4.381 4.480 0.001 0.000 0.263 468 M C 1.670 177.879 176.300 -0.151 0.000 1.063 468 M CA 1.198 56.033 55.300 -0.776 0.000 1.090 468 M CB -0.321 31.966 32.600 -0.522 0.000 1.392 468 M HN 0.202 nan 8.290 nan 0.000 0.422 469 T N -3.262 111.205 114.554 -0.146 0.000 3.163 469 T HA 0.460 4.810 4.350 0.001 0.000 0.252 469 T C 1.186 175.888 174.700 0.004 0.000 1.056 469 T CA 0.313 62.412 62.100 -0.000 0.000 0.947 469 T CB 0.136 68.962 68.868 -0.069 0.000 1.016 469 T HN 0.591 nan 8.240 nan 0.000 0.554 470 G N 0.218 109.016 108.800 -0.003 0.000 2.163 470 G HA2 -0.116 3.844 3.960 0.001 0.000 0.213 470 G HA3 -0.116 3.844 3.960 0.001 0.000 0.213 470 G C 1.024 175.938 174.900 0.023 0.000 0.991 470 G CA -0.088 45.037 45.100 0.043 0.000 0.653 470 G HN 0.902 nan 8.290 nan 0.000 0.518 471 A N 0.340 123.149 122.820 -0.018 0.000 1.968 471 A HA 0.610 4.930 4.320 0.001 0.000 0.217 471 A C 2.428 180.010 177.584 -0.003 0.000 1.169 471 A CA 2.290 54.311 52.037 -0.026 0.000 0.638 471 A CB -0.602 18.358 19.000 -0.067 0.000 0.812 471 A HN 2.491 nan 8.150 nan 0.000 0.446 472 A N -1.066 121.778 122.820 0.039 0.000 2.745 472 A HA -0.202 4.119 4.320 0.001 0.000 0.296 472 A C 0.238 177.820 177.584 -0.004 0.000 1.500 472 A CA 1.435 53.509 52.037 0.061 0.000 0.766 472 A CB -2.209 16.826 19.000 0.059 0.000 1.030 472 A HN 0.574 nan 8.150 nan 0.000 0.489 473 K N 0.597 120.973 120.400 -0.041 0.000 2.172 473 K HA 0.499 4.819 4.320 0.001 0.000 0.276 473 K C -2.367 174.141 176.600 -0.154 0.000 1.013 473 K CA -1.816 54.390 56.287 -0.134 0.000 0.913 473 K CB 1.417 33.829 32.500 -0.146 0.000 1.055 473 K HN 0.363 nan 8.250 nan 0.000 0.461 474 P HA -0.055 nan 4.420 nan 0.000 0.274 474 P C -1.186 175.942 177.300 -0.287 0.000 1.231 474 P CA -0.248 62.655 63.100 -0.330 0.000 0.790 474 P CB 0.451 31.753 31.700 -0.662 0.000 0.951 475 Y N 2.328 122.566 120.300 -0.103 0.000 2.600 475 Y HA 0.215 4.765 4.550 0.000 0.000 0.351 475 Y C -0.107 175.961 175.900 0.280 0.000 1.042 475 Y CA -0.304 57.822 58.100 0.043 0.000 1.333 475 Y CB -0.135 38.387 38.460 0.103 0.000 1.172 475 Y HN 0.370 nan 8.280 nan 0.000 0.517 476 W N 3.438 124.662 121.300 -0.127 0.000 3.132 476 W HA 0.107 4.767 4.660 0.001 0.000 0.364 476 W C 0.265 176.651 176.519 -0.223 0.000 1.129 476 W CA -0.690 56.586 57.345 -0.116 0.000 1.815 476 W CB -1.110 28.347 29.460 -0.005 0.000 1.099 476 W HN 0.582 nan 8.180 nan 0.000 0.605 477 H N 1.607 120.429 119.070 -0.414 0.000 2.928 477 H HA 0.071 4.628 4.556 0.001 0.000 0.338 477 H C 0.269 175.480 175.328 -0.196 0.000 1.047 477 H CA 1.199 57.053 56.048 -0.323 0.000 1.435 477 H CB 0.740 30.268 29.762 -0.390 0.000 1.428 477 H HN -0.023 nan 8.280 nan 0.000 0.590 478 Q N 3.666 123.111 119.800 -0.592 0.000 2.390 478 Q HA 0.151 4.491 4.340 0.001 0.000 0.249 478 Q C -0.301 175.430 176.000 -0.449 0.000 0.996 478 Q CA -0.520 55.088 55.803 -0.325 0.000 0.899 478 Q CB 1.250 29.883 28.738 -0.176 0.000 1.216 478 Q HN 0.591 nan 8.270 nan 0.000 0.465 479 S N 3.641 119.328 115.700 -0.023 0.000 2.549 479 S HA 0.323 4.793 4.470 0.001 0.000 0.279 479 S C 0.039 174.829 174.600 0.317 0.000 1.321 479 S CA -0.449 57.934 58.200 0.305 0.000 1.054 479 S CB 0.243 63.778 63.200 0.557 0.000 0.899 479 S HN 0.574 nan 8.310 nan 0.000 0.497 480 M N 4.043 123.822 119.600 0.298 0.000 2.613 480 M HA 0.791 5.271 4.480 0.001 0.000 0.301 480 M C -0.988 175.348 176.300 0.061 0.000 1.205 480 M CA -0.814 54.587 55.300 0.169 0.000 0.950 480 M CB 1.160 33.861 32.600 0.167 0.000 1.585 480 M HN 0.559 nan 8.290 nan 0.000 0.490 481 F N 1.296 121.116 119.950 -0.216 0.000 2.576 481 F HA 0.825 5.352 4.527 0.001 0.000 0.313 481 F C -2.062 173.744 175.800 0.010 0.000 1.078 481 F CA -0.810 56.997 58.000 -0.322 0.000 0.921 481 F CB 1.593 40.148 39.000 -0.742 0.000 1.232 481 F HN 0.908 nan 8.300 nan 0.000 0.459 482 W N 3.584 124.075 121.300 -1.348 0.000 3.031 482 W HA 0.789 5.449 4.660 0.000 0.000 0.337 482 W C -1.948 173.855 176.519 -1.194 0.000 1.187 482 W CA -1.271 55.501 57.345 -0.955 0.000 1.166 482 W CB 1.368 30.622 29.460 -0.344 0.000 1.437 482 W HN 0.687 nan 8.180 nan 0.000 0.551 483 S N 1.721 117.134 115.700 -0.479 0.000 2.548 483 S HA 0.440 4.911 4.470 0.001 0.000 0.276 483 S C -1.804 172.996 174.600 0.335 0.000 1.129 483 S CA -0.597 57.483 58.200 -0.200 0.000 0.931 483 S CB 1.067 64.267 63.200 -0.001 0.000 1.068 483 S HN 0.474 nan 8.310 nan 0.000 0.480 484 D N 3.060 123.674 120.400 0.357 0.000 2.256 484 D HA 0.399 5.039 4.640 0.001 0.000 0.246 484 D C -0.538 175.983 176.300 0.368 0.000 1.042 484 D CA -0.238 54.011 54.000 0.416 0.000 0.841 484 D CB 1.543 42.649 40.800 0.509 0.000 1.223 484 D HN 0.489 nan 8.370 nan 0.000 0.470 485 L N 2.216 123.647 121.223 0.347 0.000 2.504 485 L HA 0.525 4.865 4.340 0.001 0.000 0.249 485 L C 0.944 177.904 176.870 0.151 0.000 1.120 485 L CA -0.519 54.498 54.840 0.295 0.000 0.997 485 L CB 0.243 42.515 42.059 0.355 0.000 1.349 485 L HN 0.571 nan 8.230 nan 0.000 0.439 486 G N 2.780 111.596 108.800 0.028 0.000 2.795 486 G HA2 -0.180 3.780 3.960 0.001 0.000 0.664 486 G HA3 -0.180 3.780 3.960 0.001 0.000 0.664 486 G C -2.107 172.264 174.900 -0.883 0.000 1.381 486 G CA -0.510 44.337 45.100 -0.421 0.000 0.853 486 G HN 0.398 nan 8.290 nan 0.000 0.545 487 P HA 0.028 nan 4.420 nan 0.000 0.228 487 P C 0.527 177.433 177.300 -0.657 0.000 1.151 487 P CA 1.637 63.832 63.100 -1.508 0.000 0.770 487 P CB 0.129 31.175 31.700 -1.090 0.000 0.786 488 D N -0.906 119.277 120.400 -0.361 0.000 2.389 488 D HA 0.091 4.731 4.640 0.001 0.000 0.206 488 D C 0.359 176.630 176.300 -0.048 0.000 1.055 488 D CA 0.366 54.273 54.000 -0.155 0.000 0.856 488 D CB 0.830 41.592 40.800 -0.065 0.000 0.957 488 D HN 0.067 nan 8.370 nan 0.000 0.509 489 V N 0.525 120.438 119.914 -0.002 0.000 2.525 489 V HA 0.740 4.860 4.120 0.001 0.000 0.299 489 V C 0.270 176.438 176.094 0.124 0.000 1.034 489 V CA -0.919 61.443 62.300 0.104 0.000 0.863 489 V CB 1.960 33.983 31.823 0.333 0.000 0.999 489 V HN 0.054 nan 8.190 nan 0.000 0.423 490 G N 3.061 111.903 108.800 0.070 0.000 2.591 490 G HA2 0.725 4.686 3.960 0.001 0.000 0.306 490 G HA3 0.725 4.686 3.960 0.001 0.000 0.306 490 G C -1.942 172.942 174.900 -0.027 0.000 1.334 490 G CA -0.470 44.777 45.100 0.246 0.000 0.981 490 G HN 0.406 nan 8.290 nan 0.000 0.491 491 Y N 0.005 120.476 120.300 0.284 0.000 2.509 491 Y HA 0.631 5.182 4.550 0.000 0.000 0.341 491 Y C 0.491 176.437 175.900 0.076 0.000 1.038 491 Y CA -0.841 57.383 58.100 0.207 0.000 1.089 491 Y CB 2.379 41.038 38.460 0.332 0.000 1.241 491 Y HN 0.453 nan 8.280 nan 0.000 0.468 492 E N 0.918 121.210 120.200 0.154 0.000 2.317 492 E HA 0.856 5.206 4.350 0.001 0.000 0.270 492 E C -1.372 175.285 176.600 0.095 0.000 0.885 492 E CA -1.208 55.239 56.400 0.079 0.000 0.760 492 E CB 2.621 32.335 29.700 0.024 0.000 1.227 492 E HN 0.686 nan 8.360 nan 0.000 0.434 493 A N 2.514 125.395 122.820 0.102 0.000 2.556 493 A HA 0.835 5.155 4.320 0.001 0.000 0.294 493 A C -1.477 176.146 177.584 0.064 0.000 1.091 493 A CA -0.588 51.504 52.037 0.091 0.000 0.704 493 A CB 1.704 20.782 19.000 0.130 0.000 1.300 493 A HN 0.506 nan 8.150 nan 0.000 0.406 494 I N 0.293 120.884 120.570 0.035 0.000 2.828 494 I HA 0.569 4.739 4.170 0.001 0.000 0.295 494 I C 0.415 176.547 176.117 0.025 0.000 1.459 494 I CA 1.151 62.482 61.300 0.051 0.000 1.015 494 I CB 1.584 39.618 38.000 0.057 0.000 1.345 494 I HN 2.052 nan 8.210 nan 0.000 0.449 495 G N 5.391 114.214 108.800 0.039 0.000 2.562 495 G HA2 -0.242 3.719 3.960 0.001 0.000 0.250 495 G HA3 -0.242 3.719 3.960 0.001 0.000 0.250 495 G C -0.929 173.943 174.900 -0.046 0.000 1.269 495 G CA 0.017 45.120 45.100 0.006 0.000 0.919 495 G HN 0.867 nan 8.290 nan 0.000 0.574 496 L N 1.160 122.339 121.223 -0.073 0.000 2.363 496 L HA 0.581 4.921 4.340 0.001 0.000 0.286 496 L C 0.723 177.433 176.870 -0.268 0.000 1.106 496 L CA -0.309 54.458 54.840 -0.122 0.000 0.859 496 L CB 0.489 42.506 42.059 -0.070 0.000 1.223 496 L HN 1.317 nan 8.230 nan 0.000 0.446 497 V N 1.899 121.583 119.914 -0.383 0.000 2.334 497 V HA 0.730 4.851 4.120 0.001 0.000 0.281 497 V C -0.799 175.003 176.094 -0.488 0.000 1.016 497 V CA -0.525 61.267 62.300 -0.847 0.000 0.832 497 V CB 1.344 32.749 31.823 -0.697 0.000 0.999 497 V HN 0.725 nan 8.190 nan 0.000 0.439 498 D N 3.635 123.823 120.400 -0.353 0.000 2.764 498 D HA 0.259 4.899 4.640 0.001 0.000 0.227 498 D C 0.954 177.355 176.300 0.167 0.000 1.347 498 D CA 0.291 54.268 54.000 -0.039 0.000 0.953 498 D CB 2.508 43.293 40.800 -0.025 0.000 1.476 498 D HN 0.646 nan 8.370 nan 0.000 0.585 499 S N 1.648 117.428 115.700 0.133 0.000 2.500 499 S HA -0.170 4.301 4.470 0.001 0.000 0.239 499 S C 1.585 176.236 174.600 0.085 0.000 0.989 499 S CA 1.278 59.559 58.200 0.136 0.000 0.951 499 S CB -0.345 62.877 63.200 0.036 0.000 0.759 499 S HN 0.400 nan 8.310 nan 0.000 0.523 500 S N 0.743 116.486 115.700 0.071 0.000 2.522 500 S HA 0.270 4.740 4.470 0.001 0.000 0.227 500 S C 0.620 175.259 174.600 0.065 0.000 0.986 500 S CA -0.379 57.851 58.200 0.051 0.000 0.929 500 S CB -0.632 62.587 63.200 0.033 0.000 0.769 500 S HN 0.508 nan 8.310 nan 0.000 0.529 501 L N 1.906 123.195 121.223 0.110 0.000 2.439 501 L HA 0.423 4.763 4.340 0.001 0.000 0.261 501 L C -2.299 174.617 176.870 0.076 0.000 1.153 501 L CA -2.486 52.424 54.840 0.116 0.000 0.808 501 L CB 0.125 42.306 42.059 0.203 0.000 1.126 501 L HN 0.017 nan 8.230 nan 0.000 0.460 502 P HA 0.133 nan 4.420 nan 0.000 0.269 502 P C -0.762 176.528 177.300 -0.017 0.000 1.209 502 P CA -0.078 63.036 63.100 0.023 0.000 0.776 502 P CB 0.832 32.551 31.700 0.031 0.000 0.876 503 T N 1.231 115.751 114.554 -0.057 0.000 2.916 503 T HA 0.477 4.828 4.350 0.001 0.000 0.305 503 T C -1.481 173.196 174.700 -0.039 0.000 1.119 503 T CA -0.432 61.571 62.100 -0.161 0.000 1.008 503 T CB 0.931 69.583 68.868 -0.359 0.000 1.129 503 T HN -0.006 nan 8.240 nan 0.000 0.480 504 V N 2.877 122.792 119.914 0.003 0.000 2.443 504 V HA 0.748 4.868 4.120 0.001 0.000 0.293 504 V C 0.574 176.708 176.094 0.066 0.000 1.021 504 V CA -0.682 61.670 62.300 0.088 0.000 0.848 504 V CB 1.603 33.508 31.823 0.138 0.000 0.998 504 V HN 1.016 nan 8.190 nan 0.000 0.424 505 G N 3.436 112.276 108.800 0.066 0.000 2.379 505 G HA2 0.653 4.613 3.960 0.001 0.000 0.327 505 G HA3 0.653 4.613 3.960 0.001 0.000 0.327 505 G C -1.100 173.682 174.900 -0.196 0.000 1.145 505 G CA -0.483 44.576 45.100 -0.069 0.000 0.905 505 G HN 0.560 nan 8.290 nan 0.000 0.466 506 V N 1.921 121.462 119.914 -0.621 0.000 2.531 506 V HA 0.655 4.776 4.120 0.001 0.000 0.301 506 V C -0.922 174.663 176.094 -0.850 0.000 1.034 506 V CA -0.650 61.378 62.300 -0.453 0.000 0.865 506 V CB 1.054 32.752 31.823 -0.208 0.000 0.995 506 V HN 0.621 nan 8.190 nan 0.000 0.424 507 F N 1.847 121.587 119.950 -0.350 0.000 2.620 507 F HA 0.965 5.492 4.527 0.000 0.000 0.320 507 F C 0.351 175.802 175.800 -0.581 0.000 1.069 507 F CA -0.561 57.143 58.000 -0.492 0.000 0.953 507 F CB 2.246 40.802 39.000 -0.741 0.000 1.322 507 F HN 0.688 nan 8.300 nan 0.000 0.479 508 A N 0.646 123.382 122.820 -0.140 0.000 2.588 508 A HA 0.606 4.926 4.320 0.001 0.000 0.290 508 A C -1.364 176.360 177.584 0.234 0.000 1.136 508 A CA -1.038 51.033 52.037 0.057 0.000 0.681 508 A CB 1.398 20.432 19.000 0.056 0.000 1.282 508 A HN 0.648 nan 8.150 nan 0.000 0.421 509 K N 0.373 120.923 120.400 0.250 0.000 2.355 509 K HA 0.456 4.777 4.320 0.001 0.000 0.270 509 K C 0.365 177.003 176.600 0.064 0.000 1.003 509 K CA 0.377 56.764 56.287 0.166 0.000 0.957 509 K CB 0.911 33.483 32.500 0.120 0.000 0.939 509 K HN 0.846 nan 8.250 nan 0.000 0.482 510 A N 2.204 125.029 122.820 0.009 0.000 2.322 510 A HA 0.226 4.546 4.320 0.001 0.000 0.269 510 A C 0.167 177.744 177.584 -0.011 0.000 1.094 510 A CA -0.134 51.877 52.037 -0.043 0.000 0.807 510 A CB 0.993 19.929 19.000 -0.107 0.000 1.047 510 A HN 0.667 nan 8.150 nan 0.000 0.487 511 T N -0.068 114.479 114.554 -0.012 0.000 2.936 511 T HA 0.487 4.838 4.350 0.001 0.000 0.282 511 T C 1.553 176.248 174.700 -0.009 0.000 1.003 511 T CA 0.286 62.385 62.100 -0.001 0.000 1.005 511 T CB 1.240 70.113 68.868 0.008 0.000 1.097 511 T HN 1.020 nan 8.240 nan 0.000 0.532 512 A N 1.075 123.891 122.820 -0.007 0.000 2.024 512 A HA -0.089 4.231 4.320 0.001 0.000 0.220 512 A C 1.930 179.504 177.584 -0.016 0.000 1.164 512 A CA 1.586 53.615 52.037 -0.013 0.000 0.643 512 A CB -0.498 18.496 19.000 -0.011 0.000 0.806 512 A HN 0.710 nan 8.150 nan 0.000 0.451 513 Q N 0.394 120.192 119.800 -0.005 0.000 2.425 513 Q HA 0.049 4.389 4.340 0.001 0.000 0.204 513 Q C -0.399 175.619 176.000 0.031 0.000 0.933 513 Q CA 0.488 56.291 55.803 0.001 0.000 0.939 513 Q CB 0.266 29.013 28.738 0.014 0.000 1.044 513 Q HN 0.530 nan 8.270 nan 0.000 0.513 514 D N 2.013 122.435 120.400 0.036 0.000 2.741 514 D HA 0.108 4.748 4.640 0.001 0.000 0.233 514 D C -0.435 175.936 176.300 0.119 0.000 1.160 514 D CA 0.031 54.090 54.000 0.100 0.000 1.003 514 D CB -0.443 40.350 40.800 -0.011 0.000 1.064 514 D HN 0.325 nan 8.370 nan 0.000 0.503 515 N N -1.227 117.535 118.700 0.104 0.000 2.710 515 N HA 0.160 4.901 4.740 0.001 0.000 0.257 515 N C -2.813 172.467 175.510 -0.383 0.000 1.327 515 N CA -1.329 51.720 53.050 -0.001 0.000 0.861 515 N CB 2.026 40.456 38.487 -0.096 0.000 1.532 515 N HN -0.346 nan 8.380 nan 0.000 0.499 516 P HA -0.179 nan 4.420 nan 0.000 0.216 516 P C 1.417 178.529 177.300 -0.313 0.000 1.150 516 P CA 1.846 64.632 63.100 -0.523 0.000 0.843 516 P CB 0.286 31.867 31.700 -0.198 0.000 0.787 517 K N -0.442 119.781 120.400 -0.295 0.000 2.026 517 K HA -0.103 4.218 4.320 0.001 0.000 0.208 517 K C 2.087 178.624 176.600 -0.105 0.000 1.048 517 K CA 1.958 58.169 56.287 -0.128 0.000 0.929 517 K CB -0.592 31.802 32.500 -0.176 0.000 0.713 517 K HN -0.074 nan 8.250 nan 0.000 0.439 518 S N 0.335 115.940 115.700 -0.159 0.000 2.383 518 S HA -0.081 4.390 4.470 0.001 0.000 0.227 518 S C 1.985 176.488 174.600 -0.162 0.000 1.026 518 S CA 0.987 59.113 58.200 -0.123 0.000 0.981 518 S CB -0.261 62.881 63.200 -0.096 0.000 0.818 518 S HN 0.539 nan 8.310 nan 0.000 0.472 519 A N 1.201 123.833 122.820 -0.315 0.000 1.972 519 A HA -0.098 4.222 4.320 0.001 0.000 0.219 519 A C 2.274 179.731 177.584 -0.211 0.000 1.169 519 A CA 1.923 53.756 52.037 -0.340 0.000 0.635 519 A CB -1.109 17.431 19.000 -0.767 0.000 0.810 519 A HN 0.473 nan 8.150 nan 0.000 0.446 520 T N 0.140 114.600 114.554 -0.158 0.000 2.857 520 T HA -0.095 4.255 4.350 0.001 0.000 0.266 520 T C 1.699 176.363 174.700 -0.060 0.000 1.048 520 T CA 1.518 63.570 62.100 -0.080 0.000 1.139 520 T CB -0.222 68.659 68.868 0.022 0.000 0.874 520 T HN 0.693 nan 8.240 nan 0.000 0.455 521 E N 1.266 121.437 120.200 -0.049 0.000 2.106 521 E HA -0.135 4.215 4.350 0.001 0.000 0.192 521 E C 2.418 178.991 176.600 -0.044 0.000 0.984 521 E CA 0.832 57.210 56.400 -0.037 0.000 0.806 521 E CB -0.147 29.536 29.700 -0.029 0.000 0.750 521 E HN 0.538 nan 8.360 nan 0.000 0.458 522 Q N 0.381 120.148 119.800 -0.055 0.000 2.079 522 Q HA -0.107 4.233 4.340 0.001 0.000 0.200 522 Q C 2.297 178.270 176.000 -0.045 0.000 0.974 522 Q CA 1.787 57.563 55.803 -0.045 0.000 0.840 522 Q CB 0.079 28.791 28.738 -0.043 0.000 0.898 522 Q HN 0.234 nan 8.270 nan 0.000 0.430 523 S N -2.031 113.634 115.700 -0.060 0.000 2.517 523 S HA 0.207 4.678 4.470 0.001 0.000 0.214 523 S C 1.463 176.029 174.600 -0.057 0.000 0.991 523 S CA 0.410 58.576 58.200 -0.057 0.000 0.906 523 S CB 0.826 63.983 63.200 -0.072 0.000 0.789 523 S HN 0.507 nan 8.310 nan 0.000 0.513 524 G N 0.495 109.259 108.800 -0.060 0.000 2.184 524 G HA2 -0.242 3.718 3.960 0.001 0.000 0.264 524 G HA3 -0.242 3.718 3.960 0.001 0.000 0.264 524 G C 0.168 175.022 174.900 -0.076 0.000 0.975 524 G CA 0.579 45.642 45.100 -0.061 0.000 0.642 524 G HN 1.058 nan 8.290 nan 0.000 0.536 525 T N -1.974 112.527 114.554 -0.087 0.000 2.906 525 T HA 0.643 4.994 4.350 0.001 0.000 0.295 525 T C 1.194 175.817 174.700 -0.129 0.000 1.075 525 T CA 0.621 62.661 62.100 -0.100 0.000 1.005 525 T CB 1.508 70.321 68.868 -0.092 0.000 1.136 525 T HN 0.955 nan 8.240 nan 0.000 0.498 526 G N 2.064 110.787 108.800 -0.129 0.000 2.921 526 G HA2 0.218 4.178 3.960 0.001 0.000 0.213 526 G HA3 0.218 4.178 3.960 0.001 0.000 0.213 526 G C 0.442 175.195 174.900 -0.246 0.000 1.143 526 G CA -0.137 44.861 45.100 -0.168 0.000 0.764 526 G HN 0.638 nan 8.290 nan 0.000 0.542 527 I N 1.975 122.395 120.570 -0.249 0.000 2.372 527 I HA 0.243 4.413 4.170 0.001 0.000 0.298 527 I C 1.455 177.088 176.117 -0.807 0.000 1.137 527 I CA -0.323 60.713 61.300 -0.440 0.000 1.314 527 I CB 1.104 38.983 38.000 -0.201 0.000 1.444 527 I HN -0.008 nan 8.210 nan 0.000 0.541 528 R N 3.874 123.429 120.500 -1.574 0.000 2.159 528 R HA -0.154 4.186 4.340 0.001 0.000 0.237 528 R C 2.253 178.161 176.300 -0.653 0.000 1.131 528 R CA 1.712 57.141 56.100 -1.119 0.000 0.982 528 R CB -0.241 29.278 30.300 -1.302 0.000 0.868 528 R HN 0.734 nan 8.270 nan 0.000 0.453 529 S N -0.606 114.713 115.700 -0.635 0.000 2.447 529 S HA -0.092 4.378 4.470 0.001 0.000 0.233 529 S C 1.572 176.146 174.600 -0.044 0.000 1.006 529 S CA 0.959 59.105 58.200 -0.090 0.000 0.957 529 S CB -0.112 63.226 63.200 0.231 0.000 0.773 529 S HN 0.412 nan 8.310 nan 0.000 0.507 530 E N 1.698 121.831 120.200 -0.112 0.000 2.051 530 E HA -0.076 4.275 4.350 0.001 0.000 0.189 530 E C 2.448 179.011 176.600 -0.062 0.000 0.979 530 E CA 1.313 57.684 56.400 -0.048 0.000 0.803 530 E CB -0.166 29.508 29.700 -0.044 0.000 0.761 530 E HN 0.794 nan 8.360 nan 0.000 0.451 531 S N 0.925 116.556 115.700 -0.116 0.000 2.414 531 S HA -0.062 4.408 4.470 0.001 0.000 0.227 531 S C 1.781 176.356 174.600 -0.041 0.000 1.022 531 S CA 0.499 58.649 58.200 -0.083 0.000 0.958 531 S CB -0.013 63.117 63.200 -0.116 0.000 0.797 531 S HN 0.068 nan 8.310 nan 0.000 0.493 532 E N 1.954 122.129 120.200 -0.042 0.000 2.204 532 E HA 0.007 4.358 4.350 0.001 0.000 0.194 532 E C 1.162 177.781 176.600 0.033 0.000 0.989 532 E CA 1.224 57.632 56.400 0.013 0.000 0.824 532 E CB -0.854 28.863 29.700 0.027 0.000 0.756 532 E HN 0.908 nan 8.360 nan 0.000 0.477 533 T N -1.668 112.903 114.554 0.028 0.000 0.541 533 T HA -0.214 4.136 4.350 0.001 0.000 0.774 533 T C 0.394 175.151 174.700 0.095 0.000 0.992 533 T CA 0.812 62.941 62.100 0.049 0.000 4.077 533 T CB -0.757 68.136 68.868 0.042 0.000 2.303 533 T HN 0.227 nan 8.240 nan 0.000 0.398 534 E N 0.433 120.697 120.200 0.107 0.000 2.474 534 E HA 0.267 4.618 4.350 0.001 0.000 0.195 534 E C 1.125 177.851 176.600 0.209 0.000 1.039 534 E CA 0.242 56.759 56.400 0.195 0.000 0.881 534 E CB 0.260 30.009 29.700 0.083 0.000 0.970 534 E HN 0.852 nan 8.360 nan 0.000 0.486 535 S N 0.824 116.599 115.700 0.126 0.000 2.655 535 S HA 0.201 4.671 4.470 0.001 0.000 0.265 535 S C 0.067 174.723 174.600 0.093 0.000 1.240 535 S CA -0.874 57.388 58.200 0.103 0.000 0.986 535 S CB 1.443 64.683 63.200 0.066 0.000 0.985 535 S HN 0.182 nan 8.310 nan 0.000 0.562 536 E N 0.149 120.394 120.200 0.075 0.000 2.210 536 E HA 0.570 4.921 4.350 0.001 0.000 0.266 536 E C -0.351 176.274 176.600 0.042 0.000 0.883 536 E CA -1.165 55.270 56.400 0.057 0.000 0.761 536 E CB 1.570 31.303 29.700 0.055 0.000 1.156 536 E HN 0.925 nan 8.360 nan 0.000 0.412 537 A N 2.842 125.681 122.820 0.031 0.000 2.561 537 A HA 0.059 4.379 4.320 0.001 0.000 0.234 537 A C 1.076 178.669 177.584 0.015 0.000 1.055 537 A CA 0.621 52.666 52.037 0.014 0.000 0.756 537 A CB 0.180 19.178 19.000 -0.005 0.000 0.986 537 A HN 0.839 nan 8.150 nan 0.000 0.505 538 S N 0.147 115.854 115.700 0.011 0.000 2.496 538 S HA 0.213 4.684 4.470 0.001 0.000 0.224 538 S C 0.475 175.080 174.600 0.007 0.000 0.996 538 S CA 0.881 59.089 58.200 0.013 0.000 0.927 538 S CB 0.028 63.236 63.200 0.013 0.000 0.774 538 S HN 0.793 nan 8.310 nan 0.000 0.524 539 E N -0.477 119.723 120.200 -0.000 0.000 2.407 539 E HA 0.601 4.951 4.350 0.001 0.000 0.279 539 E C -2.218 174.373 176.600 -0.014 0.000 1.012 539 E CA -0.842 55.556 56.400 -0.004 0.000 0.800 539 E CB 1.455 31.153 29.700 -0.004 0.000 1.276 539 E HN 0.075 nan 8.360 nan 0.000 0.452 540 I N 2.433 122.995 120.570 -0.013 0.000 2.493 540 I HA 0.350 4.521 4.170 0.001 0.000 0.279 540 I C -0.753 175.350 176.117 -0.023 0.000 1.045 540 I CA -0.394 60.890 61.300 -0.027 0.000 1.106 540 I CB 1.083 39.078 38.000 -0.009 0.000 1.216 540 I HN 0.554 nan 8.210 nan 0.000 0.459 541 T N 5.028 119.562 114.554 -0.034 0.000 2.812 541 T HA 0.578 4.929 4.350 0.001 0.000 0.282 541 T C 0.053 174.731 174.700 -0.037 0.000 0.990 541 T CA -0.740 61.344 62.100 -0.026 0.000 0.960 541 T CB 1.797 70.656 68.868 -0.016 0.000 0.948 541 T HN 0.147 nan 8.240 nan 0.000 0.438 542 I N 5.584 126.135 120.570 -0.032 0.000 2.664 542 I HA 0.154 4.324 4.170 0.001 0.000 0.284 542 I C -1.302 174.802 176.117 -0.022 0.000 1.154 542 I CA -1.800 59.476 61.300 -0.040 0.000 1.402 542 I CB -0.491 37.491 38.000 -0.029 0.000 1.395 542 I HN 0.541 nan 8.210 nan 0.000 0.545 543 P HA 0.355 nan 4.420 nan 0.000 0.276 543 P C -2.699 174.622 177.300 0.035 0.000 1.252 543 P CA -1.479 61.626 63.100 0.009 0.000 0.802 543 P CB -0.172 31.540 31.700 0.019 0.000 1.035 544 P HA 0.031 nan 4.420 nan 0.000 0.269 544 P C 0.117 177.474 177.300 0.094 0.000 1.215 544 P CA 0.079 63.207 63.100 0.046 0.000 0.780 544 P CB 0.065 31.779 31.700 0.024 0.000 0.898 545 S N 0.901 116.660 115.700 0.098 0.000 2.568 545 S HA 0.429 4.899 4.470 0.001 0.000 0.282 545 S C 0.378 174.973 174.600 -0.007 0.000 1.338 545 S CA -0.704 57.592 58.200 0.161 0.000 1.045 545 S CB 0.183 63.459 63.200 0.127 0.000 0.873 545 S HN 0.606 nan 8.310 nan 0.000 0.516 546 A N 2.632 125.288 122.820 -0.273 0.000 2.346 546 A HA 0.568 4.888 4.320 0.001 0.000 0.252 546 A C -2.052 175.428 177.584 -0.174 0.000 1.089 546 A CA -1.348 50.465 52.037 -0.373 0.000 0.797 546 A CB -1.247 17.298 19.000 -0.758 0.000 1.047 546 A HN 0.753 nan 8.150 nan 0.000 0.494 547 P HA 0.355 nan 4.420 nan 0.000 0.268 547 P C -0.189 177.075 177.300 -0.060 0.000 1.204 547 P CA 0.216 63.275 63.100 -0.069 0.000 0.768 547 P CB 0.488 32.154 31.700 -0.057 0.000 0.842 548 A N 2.976 125.777 122.820 -0.031 0.000 2.531 548 A HA 0.212 4.532 4.320 0.001 0.000 0.236 548 A C 0.015 177.591 177.584 -0.013 0.000 1.062 548 A CA -0.035 51.993 52.037 -0.015 0.000 0.760 548 A CB -0.116 18.882 19.000 -0.002 0.000 0.995 548 A HN 0.401 nan 8.150 nan 0.000 0.501 549 V N 5.550 125.462 119.914 -0.003 0.000 2.328 549 V HA 0.272 4.393 4.120 0.001 0.000 0.278 549 V C -2.130 173.968 176.094 0.008 0.000 1.021 549 V CA -1.340 60.960 62.300 0.001 0.000 0.838 549 V CB 1.035 32.861 31.823 0.005 0.000 0.999 549 V HN 0.821 nan 8.190 nan 0.000 0.447 550 P HA 0.184 nan 4.420 nan 0.000 0.262 550 P C -0.529 176.776 177.300 0.009 0.000 1.182 550 P CA 0.222 63.326 63.100 0.006 0.000 0.761 550 P CB 0.239 31.941 31.700 0.003 0.000 0.795 551 Q N 0.699 120.505 119.800 0.011 0.000 2.687 551 Q HA 0.545 4.885 4.340 0.001 0.000 0.295 551 Q C -1.121 174.885 176.000 0.009 0.000 0.920 551 Q CA -1.153 54.657 55.803 0.012 0.000 0.766 551 Q CB 0.881 29.630 28.738 0.018 0.000 1.467 551 Q HN 0.186 nan 8.270 nan 0.000 0.415 552 V N -2.604 117.314 119.914 0.007 0.000 3.170 552 V HA 0.616 4.736 4.120 0.001 0.000 0.309 552 V C -2.376 173.719 176.094 0.002 0.000 1.071 552 V CA -1.933 60.369 62.300 0.003 0.000 1.063 552 V CB -0.115 31.708 31.823 -0.000 0.000 1.123 552 V HN 0.735 nan 8.190 nan 0.000 0.464 553 P HA 0.241 nan 4.420 nan 0.000 0.271 553 P C -0.445 176.844 177.300 -0.017 0.000 1.226 553 P CA 0.037 63.135 63.100 -0.003 0.000 0.765 553 P CB 0.826 32.523 31.700 -0.004 0.000 0.835 554 V N 4.335 124.239 119.914 -0.016 0.000 2.572 554 V HA 0.081 4.201 4.120 0.001 0.000 0.291 554 V C 0.152 176.175 176.094 -0.119 0.000 1.039 554 V CA 0.336 62.606 62.300 -0.050 0.000 1.055 554 V CB 0.189 32.011 31.823 -0.001 0.000 0.969 554 V HN 0.453 nan 8.190 nan 0.000 0.482 555 E N 4.279 124.364 120.200 -0.191 0.000 2.263 555 E HA 0.402 4.752 4.350 0.001 0.000 0.264 555 E C 0.970 177.296 176.600 -0.456 0.000 0.923 555 E CA 0.008 56.268 56.400 -0.232 0.000 0.802 555 E CB 1.775 31.395 29.700 -0.135 0.000 1.228 555 E HN 0.694 nan 8.360 nan 0.000 0.417 556 G N 1.264 109.815 108.800 -0.416 0.000 2.469 556 G HA2 -0.315 3.645 3.960 0.001 0.000 0.220 556 G HA3 -0.315 3.645 3.960 0.001 0.000 0.220 556 G C 0.980 175.704 174.900 -0.292 0.000 1.136 556 G CA 0.964 45.773 45.100 -0.484 0.000 0.759 556 G HN 0.419 nan 8.290 nan 0.000 0.562 557 E N 0.816 120.931 120.200 -0.142 0.000 2.267 557 E HA -0.045 4.305 4.350 0.001 0.000 0.197 557 E C 1.820 178.419 176.600 -0.002 0.000 0.998 557 E CA 1.126 57.520 56.400 -0.009 0.000 0.830 557 E CB -0.015 29.689 29.700 0.006 0.000 0.751 557 E HN 0.372 nan 8.360 nan 0.000 0.491 558 D N -0.611 119.711 120.400 -0.131 0.000 2.289 558 D HA -0.063 4.577 4.640 0.001 0.000 0.207 558 D C -0.061 176.265 176.300 0.042 0.000 0.966 558 D CA 0.390 54.350 54.000 -0.066 0.000 0.868 558 D CB -0.036 40.696 40.800 -0.113 0.000 0.943 558 D HN 0.166 nan 8.370 nan 0.000 0.514 559 Y N 0.383 120.737 120.300 0.089 0.000 2.578 559 Y HA 0.368 4.918 4.550 0.000 0.000 0.339 559 Y C 1.803 177.783 175.900 0.134 0.000 1.231 559 Y CA -0.136 58.038 58.100 0.123 0.000 1.461 559 Y CB 0.720 39.273 38.460 0.155 0.000 1.323 559 Y HN -0.123 nan 8.280 nan 0.000 0.590 560 G N 1.198 110.084 108.800 0.144 0.000 4.000 560 G HA2 0.243 4.204 3.960 0.001 0.000 0.260 560 G HA3 0.243 4.204 3.960 0.001 0.000 0.260 560 G C -0.351 173.965 174.900 -0.974 0.000 1.047 560 G CA -0.540 44.361 45.100 -0.331 0.000 0.860 560 G HN 0.563 nan 8.290 nan 0.000 0.464 561 K N -1.024 119.084 120.400 -0.486 0.000 2.555 561 K HA 0.805 5.125 4.320 0.001 0.000 0.279 561 K C -0.702 175.971 176.600 0.122 0.000 0.986 561 K CA -0.696 55.341 56.287 -0.417 0.000 0.880 561 K CB 1.926 34.239 32.500 -0.312 0.000 1.474 561 K HN 0.491 nan 8.250 nan 0.000 0.433 562 G N -0.056 108.758 108.800 0.024 0.000 2.368 562 G HA2 0.417 4.378 3.960 0.001 0.000 0.293 562 G HA3 0.417 4.378 3.960 0.001 0.000 0.293 562 G C -2.147 172.487 174.900 -0.443 0.000 1.467 562 G CA -0.409 44.518 45.100 -0.287 0.000 0.804 562 G HN 0.609 nan 8.290 nan 0.000 0.535 563 V N 0.587 120.068 119.914 -0.721 0.000 2.540 563 V HA 0.814 4.934 4.120 0.001 0.000 0.302 563 V C -0.804 174.763 176.094 -0.877 0.000 1.035 563 V CA -0.948 60.859 62.300 -0.822 0.000 0.873 563 V CB 1.299 32.486 31.823 -1.060 0.000 0.992 563 V HN 0.654 nan 8.190 nan 0.000 0.428 564 I N 7.153 127.312 120.570 -0.686 0.000 2.389 564 I HA 0.449 4.619 4.170 0.001 0.000 0.288 564 I C -0.953 174.858 176.117 -0.511 0.000 0.999 564 I CA -0.259 60.739 61.300 -0.504 0.000 1.129 564 I CB 1.610 39.460 38.000 -0.250 0.000 1.288 564 I HN 0.490 nan 8.210 nan 0.000 0.444 565 F N 5.466 125.300 119.950 -0.194 0.000 2.408 565 F HA 0.401 4.929 4.527 0.001 0.000 0.344 565 F C -0.305 175.390 175.800 -0.175 0.000 1.112 565 F CA -0.487 57.459 58.000 -0.090 0.000 1.096 565 F CB 0.782 39.741 39.000 -0.068 0.000 1.129 565 F HN 0.268 nan 8.300 nan 0.000 0.486 566 Y N 3.988 124.382 120.300 0.157 0.000 2.328 566 Y HA 0.586 5.136 4.550 0.001 0.000 0.337 566 Y C -0.191 175.770 175.900 0.101 0.000 1.008 566 Y CA -0.745 57.413 58.100 0.097 0.000 1.129 566 Y CB 0.969 39.461 38.460 0.054 0.000 1.185 566 Y HN 0.311 nan 8.280 nan 0.000 0.476 567 L N 3.596 124.924 121.223 0.176 0.000 2.319 567 L HA 0.763 5.103 4.340 0.001 0.000 0.267 567 L C -0.435 176.492 176.870 0.095 0.000 1.011 567 L CA -1.195 53.717 54.840 0.121 0.000 0.818 567 L CB 2.366 44.470 42.059 0.076 0.000 1.316 567 L HN 0.513 nan 8.230 nan 0.000 0.432 568 R N 1.448 121.990 120.500 0.070 0.000 2.912 568 R HA 0.240 4.580 4.340 0.001 0.000 0.278 568 R C -1.346 174.973 176.300 0.033 0.000 1.533 568 R CA -0.020 56.109 56.100 0.049 0.000 1.061 568 R CB 0.509 30.838 30.300 0.048 0.000 1.313 568 R HN 0.865 nan 8.270 nan 0.000 0.443 569 D N 2.656 123.070 120.400 0.024 0.000 2.578 569 D HA -0.134 4.506 4.640 0.001 0.000 0.179 569 D C -0.300 176.003 176.300 0.004 0.000 0.893 569 D CA 1.111 55.118 54.000 0.011 0.000 0.986 569 D CB -0.439 40.365 40.800 0.007 0.000 1.035 569 D HN 0.770 nan 8.370 nan 0.000 0.473 570 K N -1.340 119.067 120.400 0.011 0.000 3.376 570 K HA -0.126 4.194 4.320 0.001 0.000 0.277 570 K C -0.497 176.103 176.600 -0.001 0.000 1.371 570 K CA 0.690 56.979 56.287 0.003 0.000 0.881 570 K CB -1.279 31.214 32.500 -0.011 0.000 1.590 570 K HN 0.152 nan 8.250 nan 0.000 0.497 571 V N 1.814 121.736 119.914 0.014 0.000 2.472 571 V HA 0.279 4.400 4.120 0.001 0.000 0.290 571 V C 0.653 176.790 176.094 0.072 0.000 1.037 571 V CA -0.840 61.474 62.300 0.024 0.000 0.908 571 V CB 1.863 33.691 31.823 0.008 0.000 0.985 571 V HN 0.002 nan 8.190 nan 0.000 0.454 572 V N 5.946 125.928 119.914 0.113 0.000 2.439 572 V HA 0.081 4.201 4.120 0.001 0.000 0.271 572 V C 0.958 177.138 176.094 0.144 0.000 1.040 572 V CA 0.416 62.812 62.300 0.159 0.000 1.002 572 V CB 1.199 33.142 31.823 0.200 0.000 1.000 572 V HN 0.843 nan 8.190 nan 0.000 0.477 573 V N 2.117 122.118 119.914 0.144 0.000 3.661 573 V HA 0.662 4.782 4.120 0.001 0.000 0.271 573 V C 0.743 176.891 176.094 0.090 0.000 1.315 573 V CA 0.757 63.115 62.300 0.097 0.000 1.072 573 V CB 0.118 31.981 31.823 0.067 0.000 0.830 573 V HN 0.829 nan 8.190 nan 0.000 0.443 574 G N -0.322 108.570 108.800 0.153 0.000 2.698 574 G HA2 0.737 4.697 3.960 0.001 0.000 0.293 574 G HA3 0.737 4.697 3.960 0.001 0.000 0.293 574 G C -1.824 173.205 174.900 0.214 0.000 1.437 574 G CA -0.696 44.457 45.100 0.088 0.000 0.852 574 G HN 0.142 nan 8.290 nan 0.000 0.499 575 I N 0.444 121.079 120.570 0.108 0.000 2.607 575 I HA 0.420 4.590 4.170 0.001 0.000 0.290 575 I C -0.712 175.421 176.117 0.026 0.000 1.129 575 I CA -0.998 60.347 61.300 0.075 0.000 1.042 575 I CB 2.658 40.631 38.000 -0.045 0.000 1.242 575 I HN 0.242 nan 8.210 nan 0.000 0.421 576 V N 6.875 126.831 119.914 0.071 0.000 2.459 576 V HA 0.502 4.622 4.120 0.001 0.000 0.295 576 V C -0.261 175.777 176.094 -0.093 0.000 1.029 576 V CA -0.540 61.805 62.300 0.075 0.000 0.874 576 V CB 1.965 33.940 31.823 0.252 0.000 0.985 576 V HN 0.433 nan 8.190 nan 0.000 0.438 577 L N 3.878 125.044 121.223 -0.095 0.000 2.322 577 L HA 0.510 4.850 4.340 0.001 0.000 0.281 577 L C -1.174 175.652 176.870 -0.073 0.000 1.014 577 L CA -0.325 54.384 54.840 -0.219 0.000 0.815 577 L CB 1.861 43.727 42.059 -0.322 0.000 1.247 577 L HN 0.718 nan 8.230 nan 0.000 0.421 578 W N 5.392 126.502 121.300 -0.317 0.000 2.296 578 W HA 0.361 5.021 4.660 0.001 0.000 0.316 578 W C 0.332 176.623 176.519 -0.381 0.000 1.022 578 W CA -0.676 56.468 57.345 -0.335 0.000 1.324 578 W CB 0.519 29.847 29.460 -0.219 0.000 1.227 578 W HN 0.580 nan 8.180 nan 0.000 0.409 579 N N 3.201 121.495 118.700 -0.678 0.000 2.725 579 N HA -0.189 4.551 4.740 0.001 0.000 0.249 579 N C -1.198 173.889 175.510 -0.706 0.000 1.103 579 N CA 1.181 53.815 53.050 -0.694 0.000 0.707 579 N CB -1.571 36.472 38.487 -0.740 0.000 1.043 579 N HN 0.219 nan 8.380 nan 0.000 0.553 580 V N 1.253 120.625 119.914 -0.903 0.000 2.407 580 V HA 0.581 4.702 4.120 0.001 0.000 0.291 580 V C 0.038 175.646 176.094 -0.809 0.000 1.018 580 V CA -0.526 61.410 62.300 -0.607 0.000 0.842 580 V CB 1.079 32.718 31.823 -0.308 0.000 0.996 580 V HN 0.075 nan 8.190 nan 0.000 0.426 581 F N 2.879 122.813 119.950 -0.028 0.000 2.556 581 F HA 0.575 5.103 4.527 0.001 0.000 0.327 581 F C 1.029 176.829 175.800 -0.000 0.000 1.059 581 F CA -0.857 57.128 58.000 -0.024 0.000 0.953 581 F CB 1.455 40.424 39.000 -0.051 0.000 1.227 581 F HN 0.509 nan 8.300 nan 0.000 0.478 582 N N 0.479 119.285 118.700 0.177 0.000 2.782 582 N HA -0.179 4.562 4.740 0.001 0.000 0.251 582 N C 0.407 175.965 175.510 0.079 0.000 1.101 582 N CA 0.429 53.539 53.050 0.100 0.000 0.764 582 N CB -0.681 37.856 38.487 0.084 0.000 1.122 582 N HN 0.534 nan 8.380 nan 0.000 0.561 583 R N -0.610 119.951 120.500 0.101 0.000 2.531 583 R HA 0.268 4.608 4.340 0.001 0.000 0.316 583 R C 1.751 178.154 176.300 0.173 0.000 0.955 583 R CA -0.344 55.832 56.100 0.127 0.000 1.120 583 R CB -0.066 30.384 30.300 0.250 0.000 1.361 583 R HN 0.165 nan 8.270 nan 0.000 0.534 584 M N 2.263 121.939 119.600 0.128 0.000 2.108 584 M HA -0.026 4.455 4.480 0.001 0.000 0.261 584 M C -1.147 175.221 176.300 0.114 0.000 1.066 584 M CA 1.678 57.053 55.300 0.124 0.000 1.107 584 M CB -0.959 31.698 32.600 0.096 0.000 1.356 584 M HN -0.152 nan 8.290 nan 0.000 0.406 585 P HA -0.135 nan 4.420 nan 0.000 0.216 585 P C 1.673 179.007 177.300 0.057 0.000 1.150 585 P CA 1.533 64.672 63.100 0.065 0.000 0.843 585 P CB -0.192 31.536 31.700 0.046 0.000 0.787 586 I N -1.076 119.520 120.570 0.044 0.000 2.286 586 I HA -0.200 3.971 4.170 0.001 0.000 0.245 586 I C 2.263 178.444 176.117 0.106 0.000 1.104 586 I CA 1.196 62.488 61.300 -0.013 0.000 1.397 586 I CB -0.577 37.299 38.000 -0.207 0.000 1.072 586 I HN -0.098 nan 8.210 nan 0.000 0.417 587 A N 0.754 123.735 122.820 0.268 0.000 1.933 587 A HA -0.197 4.123 4.320 0.001 0.000 0.218 587 A C 2.355 180.046 177.584 0.179 0.000 1.175 587 A CA 1.352 53.590 52.037 0.335 0.000 0.628 587 A CB -0.523 18.644 19.000 0.278 0.000 0.814 587 A HN 0.300 nan 8.150 nan 0.000 0.444 588 R N -0.674 119.896 120.500 0.117 0.000 2.091 588 R HA -0.162 4.179 4.340 0.001 0.000 0.238 588 R C 2.275 178.613 176.300 0.063 0.000 1.136 588 R CA 1.665 57.806 56.100 0.067 0.000 0.959 588 R CB -0.223 30.099 30.300 0.037 0.000 0.856 588 R HN 0.427 nan 8.270 nan 0.000 0.437 589 K N 1.397 121.836 120.400 0.065 0.000 2.057 589 K HA -0.055 4.266 4.320 0.001 0.000 0.206 589 K C 1.755 178.399 176.600 0.072 0.000 1.050 589 K CA 1.309 57.627 56.287 0.051 0.000 0.935 589 K CB -0.246 32.274 32.500 0.033 0.000 0.715 589 K HN 0.101 nan 8.250 nan 0.000 0.439 590 I N 0.213 120.848 120.570 0.108 0.000 2.226 590 I HA -0.230 3.941 4.170 0.001 0.000 0.245 590 I C 2.084 178.290 176.117 0.148 0.000 1.100 590 I CA 1.120 62.509 61.300 0.148 0.000 1.374 590 I CB -0.144 37.969 38.000 0.189 0.000 1.057 590 I HN 0.106 nan 8.210 nan 0.000 0.413 591 I N 0.435 121.082 120.570 0.128 0.000 2.315 591 I HA -0.262 3.909 4.170 0.001 0.000 0.248 591 I C 2.527 178.678 176.117 0.056 0.000 1.117 591 I CA 1.062 62.421 61.300 0.098 0.000 1.404 591 I CB -0.243 37.809 38.000 0.086 0.000 1.071 591 I HN 0.122 nan 8.210 nan 0.000 0.419 592 K N 1.207 121.631 120.400 0.039 0.000 2.057 592 K HA -0.190 4.130 4.320 0.001 0.000 0.206 592 K C 1.591 178.192 176.600 0.001 0.000 1.050 592 K CA 1.687 57.978 56.287 0.006 0.000 0.935 592 K CB -0.207 32.291 32.500 -0.004 0.000 0.715 592 K HN 0.149 nan 8.250 nan 0.000 0.439 593 D N -0.354 120.059 120.400 0.021 0.000 2.224 593 D HA 0.010 4.651 4.640 0.001 0.000 0.205 593 D C 0.646 176.940 176.300 -0.010 0.000 0.965 593 D CA 1.411 55.415 54.000 0.005 0.000 0.852 593 D CB -0.220 40.593 40.800 0.021 0.000 0.947 593 D HN 0.455 nan 8.370 nan 0.000 0.494 594 G N 1.691 110.496 108.800 0.007 0.000 2.295 594 G HA2 -0.300 3.661 3.960 0.001 0.000 0.287 594 G HA3 -0.300 3.661 3.960 0.001 0.000 0.287 594 G C -0.082 174.772 174.900 -0.078 0.000 1.055 594 G CA 0.215 45.306 45.100 -0.016 0.000 0.922 594 G HN 0.311 nan 8.290 nan 0.000 0.503 595 E N -0.456 119.651 120.200 -0.155 0.000 2.318 595 E HA 0.308 4.658 4.350 0.001 0.000 0.265 595 E C 0.382 176.714 176.600 -0.447 0.000 1.069 595 E CA -0.467 55.730 56.400 -0.338 0.000 0.893 595 E CB 0.800 30.211 29.700 -0.482 0.000 1.076 595 E HN 0.445 nan 8.360 nan 0.000 0.414 596 Q N 1.918 121.512 119.800 -0.343 0.000 2.406 596 Q HA 0.140 4.480 4.340 0.001 0.000 0.242 596 Q C -1.043 174.771 176.000 -0.309 0.000 1.036 596 Q CA -0.205 55.450 55.803 -0.246 0.000 0.904 596 Q CB 0.365 29.027 28.738 -0.127 0.000 1.244 596 Q HN 0.375 nan 8.270 nan 0.000 0.478 597 H N 0.870 119.889 119.070 -0.084 0.000 2.722 597 H HA 0.005 4.562 4.556 0.001 0.000 0.328 597 H C 0.600 175.875 175.328 -0.089 0.000 1.067 597 H CA -0.065 55.923 56.048 -0.101 0.000 1.447 597 H CB 1.082 30.747 29.762 -0.163 0.000 1.469 597 H HN 0.618 nan 8.280 nan 0.000 0.544 598 E N 0.878 121.095 120.200 0.028 0.000 2.208 598 E HA -0.106 4.244 4.350 0.001 0.000 0.193 598 E C -0.080 176.519 176.600 -0.002 0.000 0.988 598 E CA 0.810 57.212 56.400 0.002 0.000 0.828 598 E CB 0.514 30.212 29.700 -0.005 0.000 0.763 598 E HN 0.520 nan 8.360 nan 0.000 0.478 599 D N -0.899 119.498 120.400 -0.004 0.000 2.375 599 D HA 0.073 4.714 4.640 0.001 0.000 0.241 599 D C 0.211 176.462 176.300 -0.081 0.000 1.361 599 D CA -0.215 53.766 54.000 -0.031 0.000 0.995 599 D CB 0.853 41.642 40.800 -0.017 0.000 1.312 599 D HN 0.007 nan 8.370 nan 0.000 0.576 600 L N 2.957 124.102 121.223 -0.131 0.000 2.465 600 L HA 0.011 4.351 4.340 0.001 0.000 0.224 600 L C 1.555 178.375 176.870 -0.083 0.000 1.145 600 L CA 0.542 55.222 54.840 -0.268 0.000 0.834 600 L CB -0.145 41.673 42.059 -0.402 0.000 0.944 600 L HN 0.311 nan 8.230 nan 0.000 0.451 601 N N -0.615 118.069 118.700 -0.027 0.000 2.270 601 N HA -0.152 4.588 4.740 0.001 0.000 0.181 601 N C 1.725 177.224 175.510 -0.018 0.000 1.016 601 N CA 0.639 53.691 53.050 0.003 0.000 0.870 601 N CB 0.132 38.621 38.487 0.004 0.000 0.979 601 N HN 0.205 nan 8.380 nan 0.000 0.431 602 E N 0.418 120.595 120.200 -0.037 0.000 2.072 602 E HA -0.063 4.287 4.350 0.001 0.000 0.191 602 E C 2.020 178.581 176.600 -0.066 0.000 0.985 602 E CA 0.682 57.056 56.400 -0.044 0.000 0.801 602 E CB -0.280 29.399 29.700 -0.034 0.000 0.750 602 E HN 0.188 nan 8.360 nan 0.000 0.452 603 V N 1.495 121.349 119.914 -0.100 0.000 2.626 603 V HA -0.162 3.958 4.120 0.001 0.000 0.252 603 V C 2.330 178.467 176.094 0.072 0.000 1.067 603 V CA 1.448 63.678 62.300 -0.116 0.000 1.081 603 V CB -0.738 30.870 31.823 -0.358 0.000 0.686 603 V HN 0.203 nan 8.190 nan 0.000 0.468 604 A N -0.220 122.691 122.820 0.153 0.000 2.015 604 A HA -0.159 4.161 4.320 0.001 0.000 0.219 604 A C 2.230 179.822 177.584 0.014 0.000 1.163 604 A CA 1.237 53.425 52.037 0.252 0.000 0.646 604 A CB -0.375 18.709 19.000 0.140 0.000 0.806 604 A HN 0.522 nan 8.150 nan 0.000 0.448 605 K N -0.427 119.890 120.400 -0.138 0.000 2.286 605 K HA -0.116 4.204 4.320 0.001 0.000 0.203 605 K C 1.358 177.811 176.600 -0.246 0.000 1.045 605 K CA 0.838 56.929 56.287 -0.328 0.000 0.935 605 K CB -0.290 32.070 32.500 -0.233 0.000 0.737 605 K HN 0.303 nan 8.250 nan 0.000 0.460 606 L N -0.276 120.801 121.223 -0.243 0.000 2.201 606 L HA -0.098 4.242 4.340 0.001 0.000 0.212 606 L C 1.343 177.873 176.870 -0.568 0.000 1.105 606 L CA 1.602 56.191 54.840 -0.419 0.000 0.775 606 L CB -0.675 41.019 42.059 -0.608 0.000 0.913 606 L HN 0.075 nan 8.230 nan 0.000 0.440 607 F N -0.756 119.137 119.950 -0.095 0.000 2.660 607 F HA 0.200 4.728 4.527 0.000 0.000 0.297 607 F C 1.168 176.902 175.800 -0.110 0.000 1.132 607 F CA -0.546 57.391 58.000 -0.106 0.000 1.372 607 F CB -0.776 38.138 39.000 -0.143 0.000 1.003 607 F HN 0.103 nan 8.300 nan 0.000 0.524 608 N N 1.413 120.097 118.700 -0.028 0.000 2.721 608 N HA -0.202 4.539 4.740 0.001 0.000 0.249 608 N C -0.991 174.525 175.510 0.011 0.000 1.072 608 N CA 0.331 53.408 53.050 0.045 0.000 0.710 608 N CB -0.980 37.582 38.487 0.124 0.000 0.993 608 N HN 0.043 nan 8.380 nan 0.000 0.547 609 I N 1.546 122.012 120.570 -0.173 0.000 2.328 609 I HA 0.275 4.445 4.170 0.001 0.000 0.287 609 I C 0.765 176.714 176.117 -0.279 0.000 1.012 609 I CA -0.259 60.965 61.300 -0.127 0.000 1.195 609 I CB 0.736 38.666 38.000 -0.117 0.000 1.350 609 I HN 0.173 nan 8.210 nan 0.000 0.464 610 H N 0.000 119.074 119.070 0.006 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 29.771 29.762 0.016 0.000 1.292 610 H HN 0.000 nan 8.280 nan 0.000 0.496