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 2ayo_1_A DATA FIRST_RESID 97 DATA SEQUENCE ASAMELPCGL TNLGNTCYMN ATVQCIRSVP ELKDALKRYA GALRASGEMA DATA SEQUENCE SAQYITAALR DLFDSMDKTS SSIPPIILLQ FLHMAFPQFA EKGEQGQYLQ DATA SEQUENCE QDANECWIQM MRVLQQKLEA IEDDXXXXXX XXXXXXXTPS KKKSLIDQFF DATA SEQUENCE GVEFETTMKC TESEEEEVTK GKENQLQLSC FINQEVKYLF TGLKLRLQEE DATA SEQUENCE ITKQSPTLQR NALYIKSSKI SRLPAYLTIQ MVRFFYKEKE SVNAKVLKDV DATA SEQUENCE KFPLMLDMYE LCTPELQEKM VSFRSKFKDL EDXXXXXXXX XXXXXXXXXX DATA SEQUENCE EVKYEPFSFA DDIGSNNCGY YDLQAVLTHQ GRSSSSGHYV SWVKRKQDEW DATA SEQUENCE IKFDDDKVSI VTPEDILRLS GGGDWHIAYV LLYGPR 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 97 A HA 0.000 nan 4.320 nan 0.000 0.244 97 A C 0.000 177.600 177.584 0.026 0.000 1.274 97 A CA 0.000 52.054 52.037 0.028 0.000 0.836 97 A CB 0.000 19.019 19.000 0.032 0.000 0.831 98 S N 0.852 116.567 115.700 0.025 0.000 2.614 98 S HA 0.964 5.434 4.470 0.001 0.000 0.280 98 S C -0.378 174.234 174.600 0.021 0.000 1.111 98 S CA 0.702 58.916 58.200 0.023 0.000 0.847 98 S CB 0.742 63.953 63.200 0.019 0.000 1.079 98 S HN 2.534 nan 8.310 nan 0.000 0.452 99 A N 2.856 125.687 122.820 0.019 0.000 4.258 99 A HA 0.903 5.223 4.320 0.001 0.000 0.158 99 A C -1.444 176.147 177.584 0.012 0.000 0.780 99 A CA -0.590 51.457 52.037 0.016 0.000 1.200 99 A CB 0.506 19.517 19.000 0.018 0.000 2.104 99 A HN 0.870 nan 8.150 nan 0.000 0.922 100 M N 0.903 120.509 119.600 0.011 0.000 2.619 100 M HA 0.443 4.923 4.480 0.001 0.000 0.297 100 M C -1.215 175.089 176.300 0.007 0.000 1.229 100 M CA -0.454 54.850 55.300 0.007 0.000 0.860 100 M CB 1.768 34.371 32.600 0.005 0.000 1.741 100 M HN 0.762 nan 8.290 nan 0.000 0.462 101 E N 1.348 121.550 120.200 0.003 0.000 2.254 101 E HA 0.721 5.071 4.350 0.001 0.000 0.258 101 E C -0.401 176.196 176.600 -0.005 0.000 1.033 101 E CA -0.516 55.885 56.400 0.001 0.000 0.893 101 E CB 1.684 31.384 29.700 0.000 0.000 1.204 101 E HN 0.599 nan 8.360 nan 0.000 0.425 102 L N -2.749 118.469 121.223 -0.007 0.000 2.884 102 L HA 0.261 4.602 4.340 0.001 0.000 0.155 102 L C -2.090 174.756 176.870 -0.039 0.000 1.296 102 L CA -0.640 54.190 54.840 -0.016 0.000 0.946 102 L CB -2.194 39.864 42.059 -0.003 0.000 1.862 102 L HN 0.214 nan 8.230 nan 0.000 0.529 103 P HA -0.096 nan 4.420 nan 0.000 0.247 103 P C -0.559 176.593 177.300 -0.247 0.000 1.103 103 P CA 0.472 63.505 63.100 -0.111 0.000 0.797 103 P CB -0.234 31.436 31.700 -0.051 0.000 0.710 104 C N 4.303 123.424 119.300 -0.299 0.000 2.285 104 C HA 0.709 5.169 4.460 0.001 0.000 0.335 104 C C 1.243 175.935 174.990 -0.495 0.000 1.267 104 C CA 0.331 59.165 59.018 -0.307 0.000 1.762 104 C CB -0.482 27.135 27.740 -0.206 0.000 2.365 104 C HN 0.745 nan 8.230 nan 0.000 0.527 105 G N 4.536 113.078 108.800 -0.429 0.000 2.714 105 G HA2 0.637 4.597 3.960 0.001 0.000 0.197 105 G HA3 0.637 4.597 3.960 0.001 0.000 0.197 105 G C -1.060 173.680 174.900 -0.266 0.000 1.449 105 G CA -0.545 44.283 45.100 -0.453 0.000 1.065 105 G HN 0.817 nan 8.290 nan 0.000 0.575 106 L N 0.001 121.109 121.223 -0.192 0.000 2.562 106 L HA 0.280 4.621 4.340 0.001 0.000 0.266 106 L C -0.539 176.274 176.870 -0.095 0.000 0.949 106 L CA -0.754 54.014 54.840 -0.120 0.000 0.879 106 L CB 2.379 44.384 42.059 -0.089 0.000 1.278 106 L HN 0.397 nan 8.230 nan 0.000 0.404 107 T N 1.437 115.944 114.554 -0.079 0.000 2.888 107 T HA 0.046 4.397 4.350 0.001 0.000 0.301 107 T C 0.257 174.921 174.700 -0.062 0.000 1.001 107 T CA -0.030 62.031 62.100 -0.065 0.000 1.147 107 T CB 0.443 69.277 68.868 -0.055 0.000 0.931 107 T HN 0.461 nan 8.240 nan 0.000 0.541 108 N N 2.371 121.037 118.700 -0.055 0.000 2.520 108 N HA 0.069 4.810 4.740 0.001 0.000 0.273 108 N C -0.349 175.128 175.510 -0.055 0.000 1.155 108 N CA -0.432 52.581 53.050 -0.063 0.000 0.967 108 N CB 0.527 38.987 38.487 -0.045 0.000 1.092 108 N HN 0.454 nan 8.380 nan 0.000 0.457 109 L N 2.199 123.379 121.223 -0.072 0.000 3.110 109 L HA 0.432 4.772 4.340 0.001 0.000 0.266 109 L C 0.679 177.549 176.870 0.000 0.000 1.257 109 L CA 0.061 54.881 54.840 -0.033 0.000 1.038 109 L CB 0.212 42.250 42.059 -0.035 0.000 1.395 109 L HN 0.892 nan 8.230 nan 0.000 0.566 110 G N 0.605 109.388 108.800 -0.029 0.000 2.905 110 G HA2 -0.170 3.790 3.960 0.001 0.000 0.210 110 G HA3 -0.170 3.790 3.960 0.001 0.000 0.210 110 G C -0.310 174.539 174.900 -0.086 0.000 0.991 110 G CA -0.575 44.530 45.100 0.008 0.000 1.210 110 G HN 0.324 nan 8.290 nan 0.000 0.602 111 N N -0.236 118.400 118.700 -0.106 0.000 2.641 111 N HA -0.224 4.516 4.740 0.001 0.000 0.267 111 N C 0.702 175.971 175.510 -0.402 0.000 1.087 111 N CA 1.631 54.578 53.050 -0.171 0.000 0.731 111 N CB -1.613 36.816 38.487 -0.097 0.000 0.886 111 N HN 1.608 nan 8.380 nan 0.000 0.547 112 T N -4.737 109.552 114.554 -0.442 0.000 3.275 112 T HA 0.190 4.540 4.350 0.001 0.000 0.298 112 T C 1.712 176.101 174.700 -0.519 0.000 0.988 112 T CA 0.241 61.909 62.100 -0.719 0.000 0.936 112 T CB -0.899 67.693 68.868 -0.459 0.000 1.159 112 T HN 0.590 nan 8.240 nan 0.000 0.519 113 C N 0.843 119.930 119.300 -0.354 0.000 2.419 113 C HA 0.006 4.466 4.460 0.001 0.000 0.281 113 C C 2.374 177.312 174.990 -0.086 0.000 1.336 113 C CA 0.502 59.398 59.018 -0.203 0.000 1.770 113 C CB -2.162 25.437 27.740 -0.235 0.000 1.929 113 C HN 0.741 nan 8.230 nan 0.000 0.509 114 Y N 0.654 120.914 120.300 -0.068 0.000 2.128 114 Y HA -0.144 4.406 4.550 0.001 0.000 0.284 114 Y C 2.677 178.643 175.900 0.111 0.000 1.154 114 Y CA 1.677 59.870 58.100 0.155 0.000 1.149 114 Y CB -0.937 37.501 38.460 -0.037 0.000 0.976 114 Y HN 0.166 nan 8.280 nan 0.000 0.505 115 M N 1.184 120.965 119.600 0.302 0.000 2.065 115 M HA -0.245 4.236 4.480 0.001 0.000 0.259 115 M C 1.902 178.264 176.300 0.104 0.000 1.069 115 M CA 1.950 57.409 55.300 0.264 0.000 1.110 115 M CB -0.606 32.011 32.600 0.028 0.000 1.328 115 M HN 0.478 nan 8.290 nan 0.000 0.405 116 N N 0.660 119.361 118.700 0.000 0.000 2.061 116 N HA -0.145 4.596 4.740 0.001 0.000 0.193 116 N C 1.661 177.186 175.510 0.025 0.000 1.030 116 N CA 1.737 54.785 53.050 -0.004 0.000 0.856 116 N CB -0.556 37.898 38.487 -0.055 0.000 1.023 116 N HN 0.353 nan 8.380 nan 0.000 0.424 117 A N 1.199 124.050 122.820 0.052 0.000 1.829 117 A HA -0.165 4.155 4.320 0.001 0.000 0.216 117 A C 2.431 180.006 177.584 -0.016 0.000 1.207 117 A CA 2.511 54.574 52.037 0.042 0.000 0.622 117 A CB -1.480 17.591 19.000 0.118 0.000 0.846 117 A HN 0.301 nan 8.150 nan 0.000 0.447 118 T N -0.103 114.455 114.554 0.008 0.000 2.653 118 T HA -0.216 4.134 4.350 0.001 0.000 0.267 118 T C 1.767 176.268 174.700 -0.332 0.000 1.037 118 T CA 2.003 63.973 62.100 -0.216 0.000 1.159 118 T CB -0.669 68.166 68.868 -0.054 0.000 0.859 118 T HN 0.176 nan 8.240 nan 0.000 0.449 119 V N 1.203 121.050 119.914 -0.112 0.000 2.759 119 V HA -0.148 3.973 4.120 0.001 0.000 0.256 119 V C 2.324 178.414 176.094 -0.007 0.000 1.080 119 V CA 1.548 63.825 62.300 -0.039 0.000 1.101 119 V CB -0.623 31.242 31.823 0.071 0.000 0.698 119 V HN 0.590 nan 8.190 nan 0.000 0.477 120 Q N -1.955 117.818 119.800 -0.045 0.000 2.376 120 Q HA -0.021 4.319 4.340 0.001 0.000 0.206 120 Q C 2.270 178.174 176.000 -0.159 0.000 0.921 120 Q CA 0.957 56.743 55.803 -0.027 0.000 0.911 120 Q CB 0.026 28.863 28.738 0.165 0.000 1.032 120 Q HN 0.625 nan 8.270 nan 0.000 0.510 121 C N 0.812 119.977 119.300 -0.226 0.000 2.508 121 C HA -0.067 4.394 4.460 0.001 0.000 0.280 121 C C 2.505 177.372 174.990 -0.204 0.000 1.262 121 C CA 0.398 59.293 59.018 -0.206 0.000 1.706 121 C CB -0.787 26.797 27.740 -0.260 0.000 2.078 121 C HN 0.490 nan 8.230 nan 0.000 0.480 122 I N 0.678 121.012 120.570 -0.394 0.000 2.181 122 I HA -0.335 3.836 4.170 0.001 0.000 0.247 122 I C 2.836 178.962 176.117 0.015 0.000 1.081 122 I CA 1.723 62.887 61.300 -0.227 0.000 1.340 122 I CB -0.790 37.037 38.000 -0.288 0.000 1.036 122 I HN 0.415 nan 8.210 nan 0.000 0.417 123 R N 1.268 121.816 120.500 0.079 0.000 2.112 123 R HA -0.243 4.098 4.340 0.001 0.000 0.242 123 R C 2.533 178.813 176.300 -0.034 0.000 1.137 123 R CA 2.531 58.663 56.100 0.054 0.000 0.944 123 R CB -0.368 29.828 30.300 -0.173 0.000 0.857 123 R HN 0.537 nan 8.270 nan 0.000 0.435 124 S N -0.400 115.239 115.700 -0.101 0.000 2.488 124 S HA -0.081 4.389 4.470 0.001 0.000 0.246 124 S C 0.941 175.471 174.600 -0.117 0.000 0.992 124 S CA 0.849 58.973 58.200 -0.126 0.000 0.963 124 S CB -0.186 62.923 63.200 -0.153 0.000 0.754 124 S HN 0.099 nan 8.310 nan 0.000 0.519 125 V N 3.743 123.581 119.914 -0.126 0.000 2.222 125 V HA 0.221 4.341 4.120 0.001 0.000 0.253 125 V C -1.337 174.671 176.094 -0.145 0.000 1.210 125 V CA -1.622 60.510 62.300 -0.281 0.000 1.079 125 V CB 0.242 31.860 31.823 -0.341 0.000 1.265 125 V HN 0.182 nan 8.190 nan 0.000 0.494 126 P HA -0.237 nan 4.420 nan 0.000 0.216 126 P C 1.638 178.931 177.300 -0.011 0.000 1.167 126 P CA 1.515 64.621 63.100 0.011 0.000 0.933 126 P CB 0.226 31.964 31.700 0.064 0.000 0.793 127 E N -1.023 119.172 120.200 -0.009 0.000 2.187 127 E HA -0.210 4.141 4.350 0.001 0.000 0.199 127 E C 1.945 178.385 176.600 -0.267 0.000 1.004 127 E CA 1.018 57.323 56.400 -0.158 0.000 0.813 127 E CB -1.274 28.247 29.700 -0.298 0.000 0.736 127 E HN 0.228 nan 8.360 nan 0.000 0.468 128 L N 1.295 122.395 121.223 -0.205 0.000 2.023 128 L HA -0.097 4.243 4.340 0.001 0.000 0.205 128 L C 1.994 178.838 176.870 -0.043 0.000 1.073 128 L CA 1.801 56.576 54.840 -0.108 0.000 0.745 128 L CB -0.552 41.510 42.059 0.004 0.000 0.900 128 L HN -0.089 nan 8.230 nan 0.000 0.435 129 K N -0.096 120.322 120.400 0.031 0.000 2.001 129 K HA -0.281 4.039 4.320 0.001 0.000 0.223 129 K C 1.707 178.344 176.600 0.062 0.000 1.055 129 K CA 2.225 58.584 56.287 0.120 0.000 0.965 129 K CB -0.697 31.896 32.500 0.155 0.000 0.730 129 K HN 0.371 nan 8.250 nan 0.000 0.449 130 D N 0.236 120.658 120.400 0.038 0.000 2.244 130 D HA -0.239 4.401 4.640 0.001 0.000 0.197 130 D C 1.689 178.004 176.300 0.024 0.000 1.006 130 D CA 1.570 55.589 54.000 0.032 0.000 0.888 130 D CB -0.380 40.431 40.800 0.019 0.000 0.912 130 D HN 0.373 nan 8.370 nan 0.000 0.452 131 A N 0.403 123.218 122.820 -0.008 0.000 1.883 131 A HA -0.179 4.141 4.320 0.001 0.000 0.217 131 A C 2.355 179.950 177.584 0.018 0.000 1.186 131 A CA 1.315 53.342 52.037 -0.016 0.000 0.624 131 A CB -0.809 18.154 19.000 -0.062 0.000 0.822 131 A HN 0.271 nan 8.150 nan 0.000 0.444 132 L N -0.921 120.306 121.223 0.006 0.000 2.027 132 L HA -0.157 4.183 4.340 0.001 0.000 0.206 132 L C 2.469 179.392 176.870 0.089 0.000 1.074 132 L CA 1.530 56.392 54.840 0.037 0.000 0.745 132 L CB -0.525 41.490 42.059 -0.074 0.000 0.898 132 L HN 0.305 nan 8.230 nan 0.000 0.433 133 K N 0.954 121.401 120.400 0.078 0.000 2.360 133 K HA -0.126 4.194 4.320 0.001 0.000 0.201 133 K C 0.253 176.896 176.600 0.072 0.000 1.046 133 K CA 0.855 57.187 56.287 0.076 0.000 0.940 133 K CB -0.050 32.492 32.500 0.069 0.000 0.748 133 K HN 0.444 nan 8.250 nan 0.000 0.465 134 R N -0.237 120.316 120.500 0.089 0.000 2.407 134 R HA 0.312 4.653 4.340 0.001 0.000 0.298 134 R C -1.245 175.163 176.300 0.181 0.000 1.166 134 R CA -0.858 55.301 56.100 0.097 0.000 1.006 134 R CB 0.489 30.834 30.300 0.074 0.000 1.145 134 R HN -0.143 nan 8.270 nan 0.000 0.538 135 Y N 1.376 121.677 120.300 0.001 0.000 2.717 135 Y HA 0.580 5.131 4.550 0.001 0.000 0.345 135 Y C -2.126 173.775 175.900 0.001 0.000 1.187 135 Y CA -1.219 56.878 58.100 -0.005 0.000 1.128 135 Y CB 1.392 39.840 38.460 -0.019 0.000 1.360 135 Y HN 0.792 nan 8.280 nan 0.000 0.467 136 A N 1.525 123.876 122.820 -0.782 0.000 2.515 136 A HA 0.822 5.142 4.320 0.001 0.000 0.296 136 A C 0.055 177.225 177.584 -0.690 0.000 1.094 136 A CA -0.541 51.140 52.037 -0.594 0.000 0.718 136 A CB 1.259 20.125 19.000 -0.223 0.000 1.307 136 A HN 2.258 nan 8.150 nan 0.000 0.408 137 G N -0.783 107.805 108.800 -0.354 0.000 2.830 137 G HA2 0.353 4.313 3.960 0.001 0.000 0.298 137 G HA3 0.353 4.313 3.960 0.001 0.000 0.298 137 G C 0.321 175.154 174.900 -0.112 0.000 1.031 137 G CA 0.400 45.383 45.100 -0.197 0.000 1.179 137 G HN 2.046 nan 8.290 nan 0.000 0.527 138 A N 1.788 124.600 122.820 -0.014 0.000 1.969 138 A HA 0.547 4.868 4.320 0.001 0.000 0.205 138 A C 1.897 179.615 177.584 0.223 0.000 1.364 138 A CA 0.926 53.038 52.037 0.124 0.000 0.756 138 A CB -0.042 19.054 19.000 0.162 0.000 0.988 138 A HN 1.054 nan 8.150 nan 0.000 0.490 139 L N 1.308 122.611 121.223 0.135 0.000 2.933 139 L HA 0.087 4.427 4.340 0.001 0.000 0.258 139 L C -0.112 176.821 176.870 0.105 0.000 1.253 139 L CA 0.248 55.156 54.840 0.114 0.000 1.096 139 L CB -0.607 41.481 42.059 0.050 0.000 1.432 139 L HN 0.254 nan 8.230 nan 0.000 0.418 140 R N 0.883 121.464 120.500 0.134 0.000 2.487 140 R HA 0.725 5.065 4.340 0.001 0.000 0.288 140 R C -0.791 175.592 176.300 0.138 0.000 1.394 140 R CA -0.236 55.923 56.100 0.097 0.000 1.155 140 R CB 1.541 31.869 30.300 0.046 0.000 1.156 140 R HN 0.117 nan 8.270 nan 0.000 0.553 141 A N 1.237 124.156 122.820 0.165 0.000 2.605 141 A HA 0.813 5.133 4.320 0.001 0.000 0.294 141 A C -0.961 176.724 177.584 0.168 0.000 1.062 141 A CA -0.569 51.593 52.037 0.209 0.000 0.682 141 A CB 1.859 21.166 19.000 0.512 0.000 1.278 141 A HN 0.714 nan 8.150 nan 0.000 0.410 142 S N -0.839 114.939 115.700 0.131 0.000 2.708 142 S HA 0.659 5.129 4.470 0.001 0.000 0.274 142 S C 0.448 175.080 174.600 0.052 0.000 0.927 142 S CA 0.374 58.635 58.200 0.102 0.000 1.002 142 S CB 0.042 63.288 63.200 0.077 0.000 1.265 142 S HN 2.918 nan 8.310 nan 0.000 0.457 143 G N 0.697 109.526 108.800 0.048 0.000 2.792 143 G HA2 -0.025 3.936 3.960 0.001 0.000 0.201 143 G HA3 -0.025 3.936 3.960 0.001 0.000 0.201 143 G C 0.151 175.069 174.900 0.029 0.000 1.322 143 G CA 0.915 46.031 45.100 0.026 0.000 0.910 143 G HN 1.810 nan 8.290 nan 0.000 0.535 144 E N -0.848 119.373 120.200 0.034 0.000 3.715 144 E HA -0.102 4.248 4.350 0.001 0.000 0.332 144 E C -0.009 176.598 176.600 0.012 0.000 0.804 144 E CA 1.022 57.445 56.400 0.038 0.000 1.253 144 E CB -1.348 28.375 29.700 0.039 0.000 1.629 144 E HN 0.668 nan 8.360 nan 0.000 0.399 145 M N -0.500 119.093 119.600 -0.012 0.000 2.921 145 M HA 0.281 4.762 4.480 0.001 0.000 0.211 145 M C -0.628 175.642 176.300 -0.050 0.000 1.082 145 M CA 0.500 55.784 55.300 -0.027 0.000 0.718 145 M CB 1.481 34.073 32.600 -0.013 0.000 3.204 145 M HN 0.263 nan 8.290 nan 0.000 0.356 146 A N -0.103 122.659 122.820 -0.098 0.000 2.381 146 A HA 0.028 4.348 4.320 0.001 0.000 0.221 146 A C 0.776 178.200 177.584 -0.266 0.000 2.888 146 A CA 0.462 52.423 52.037 -0.126 0.000 1.615 146 A CB -1.031 17.922 19.000 -0.077 0.000 0.166 146 A HN 0.772 nan 8.150 nan 0.000 0.586 147 S N 0.033 115.522 115.700 -0.351 0.000 2.727 147 S HA 0.353 4.824 4.470 0.001 0.000 0.226 147 S C 1.403 175.468 174.600 -0.892 0.000 0.963 147 S CA 1.247 58.961 58.200 -0.810 0.000 0.950 147 S CB -0.172 62.789 63.200 -0.399 0.000 0.779 147 S HN 1.643 nan 8.310 nan 0.000 0.532 148 A N 0.713 123.253 122.820 -0.467 0.000 2.044 148 A HA 0.168 4.489 4.320 0.001 0.000 0.213 148 A C 2.123 179.558 177.584 -0.249 0.000 1.169 148 A CA 0.702 52.573 52.037 -0.277 0.000 0.724 148 A CB -0.583 18.333 19.000 -0.139 0.000 0.840 148 A HN 0.630 nan 8.150 nan 0.000 0.463 149 Q N -0.537 119.108 119.800 -0.258 0.000 2.096 149 Q HA -0.263 4.077 4.340 0.001 0.000 0.204 149 Q C 1.914 177.893 176.000 -0.034 0.000 0.982 149 Q CA 2.512 58.276 55.803 -0.065 0.000 0.850 149 Q CB -0.414 28.301 28.738 -0.038 0.000 0.901 149 Q HN 0.875 nan 8.270 nan 0.000 0.422 150 Y N -0.615 119.535 120.300 -0.250 0.000 2.184 150 Y HA -0.043 4.508 4.550 0.001 0.000 0.290 150 Y C 1.879 177.401 175.900 -0.631 0.000 1.129 150 Y CA 0.781 58.524 58.100 -0.594 0.000 1.144 150 Y CB -1.061 36.689 38.460 -1.184 0.000 0.995 150 Y HN 0.063 nan 8.280 nan 0.000 0.513 151 I N 0.729 121.312 120.570 0.021 0.000 2.264 151 I HA -0.276 3.895 4.170 0.001 0.000 0.248 151 I C 1.944 178.050 176.117 -0.017 0.000 1.111 151 I CA 2.028 63.316 61.300 -0.020 0.000 1.382 151 I CB -1.051 36.994 38.000 0.074 0.000 1.060 151 I HN 0.289 nan 8.210 nan 0.000 0.418 152 T N 0.760 115.316 114.554 0.004 0.000 2.962 152 T HA -0.020 4.330 4.350 0.001 0.000 0.270 152 T C 1.963 176.752 174.700 0.149 0.000 1.088 152 T CA 1.232 63.352 62.100 0.033 0.000 1.127 152 T CB -0.078 68.795 68.868 0.009 0.000 0.883 152 T HN 0.514 nan 8.240 nan 0.000 0.493 153 A N 1.486 124.381 122.820 0.125 0.000 1.862 153 A HA 0.503 4.823 4.320 0.001 0.000 0.211 153 A C 2.669 180.304 177.584 0.086 0.000 1.220 153 A CA 1.078 53.172 52.037 0.094 0.000 0.616 153 A CB -1.266 17.759 19.000 0.041 0.000 0.878 153 A HN 0.419 nan 8.150 nan 0.000 0.453 154 A N -0.366 122.525 122.820 0.117 0.000 2.009 154 A HA -0.191 4.129 4.320 0.001 0.000 0.222 154 A C 2.168 179.821 177.584 0.115 0.000 1.175 154 A CA 1.808 53.981 52.037 0.228 0.000 0.651 154 A CB -0.660 18.584 19.000 0.407 0.000 0.815 154 A HN 0.498 nan 8.150 nan 0.000 0.459 155 L N -0.829 120.404 121.223 0.017 0.000 2.131 155 L HA -0.118 4.223 4.340 0.001 0.000 0.206 155 L C 2.844 179.604 176.870 -0.184 0.000 1.087 155 L CA 1.264 56.023 54.840 -0.134 0.000 0.767 155 L CB -0.309 41.591 42.059 -0.266 0.000 0.917 155 L HN 0.527 nan 8.230 nan 0.000 0.441 156 R N -0.062 120.400 120.500 -0.064 0.000 2.115 156 R HA -0.170 4.171 4.340 0.001 0.000 0.230 156 R C 1.252 177.600 176.300 0.081 0.000 1.111 156 R CA 1.891 57.991 56.100 -0.000 0.000 0.976 156 R CB -0.569 29.770 30.300 0.065 0.000 0.870 156 R HN 0.354 nan 8.270 nan 0.000 0.445 157 D N 0.791 121.244 120.400 0.088 0.000 2.162 157 D HA -0.066 4.574 4.640 0.001 0.000 0.205 157 D C 1.983 178.360 176.300 0.129 0.000 0.964 157 D CA 0.631 54.690 54.000 0.098 0.000 0.847 157 D CB -0.067 40.783 40.800 0.083 0.000 0.988 157 D HN 0.183 nan 8.370 nan 0.000 0.480 158 L N 0.067 121.386 121.223 0.161 0.000 2.275 158 L HA -0.124 4.217 4.340 0.001 0.000 0.215 158 L C 1.916 178.946 176.870 0.267 0.000 1.119 158 L CA 0.783 55.732 54.840 0.182 0.000 0.790 158 L CB -0.038 42.135 42.059 0.190 0.000 0.919 158 L HN -0.129 nan 8.230 nan 0.000 0.443 159 F N -0.426 119.532 119.950 0.013 0.000 2.147 159 F HA -0.142 4.385 4.527 0.001 0.000 0.291 159 F C 2.373 178.176 175.800 0.005 0.000 1.093 159 F CA 1.210 59.214 58.000 0.007 0.000 1.263 159 F CB -0.743 38.262 39.000 0.009 0.000 1.036 159 F HN 0.101 nan 8.300 nan 0.000 0.481 160 D N -0.642 119.885 120.400 0.213 0.000 2.389 160 D HA -0.138 4.502 4.640 0.001 0.000 0.221 160 D C 2.108 178.443 176.300 0.058 0.000 0.974 160 D CA 0.920 54.985 54.000 0.108 0.000 0.923 160 D CB 0.167 41.021 40.800 0.090 0.000 0.892 160 D HN 0.267 nan 8.370 nan 0.000 0.518 161 S N -0.926 114.809 115.700 0.057 0.000 2.433 161 S HA 0.028 4.498 4.470 0.001 0.000 0.216 161 S C 2.066 176.658 174.600 -0.013 0.000 1.031 161 S CA 0.040 58.252 58.200 0.020 0.000 0.931 161 S CB -0.033 63.182 63.200 0.025 0.000 0.875 161 S HN 0.102 nan 8.310 nan 0.000 0.553 162 M N 1.288 120.869 119.600 -0.030 0.000 2.192 162 M HA -0.176 4.304 4.480 0.001 0.000 0.259 162 M C 0.912 177.156 176.300 -0.092 0.000 1.071 162 M CA 1.744 56.991 55.300 -0.087 0.000 1.082 162 M CB -0.720 31.789 32.600 -0.152 0.000 1.373 162 M HN 0.286 nan 8.290 nan 0.000 0.408 163 D N 0.762 121.118 120.400 -0.072 0.000 2.403 163 D HA -0.062 4.578 4.640 0.001 0.000 0.227 163 D C 0.002 176.279 176.300 -0.038 0.000 0.995 163 D CA 0.993 54.959 54.000 -0.057 0.000 0.928 163 D CB -0.028 40.757 40.800 -0.025 0.000 0.887 163 D HN 0.334 nan 8.370 nan 0.000 0.529 164 K N -0.464 119.912 120.400 -0.039 0.000 3.350 164 K HA 0.284 4.604 4.320 0.001 0.000 0.167 164 K C -0.721 175.855 176.600 -0.039 0.000 1.058 164 K CA -0.206 56.063 56.287 -0.031 0.000 0.783 164 K CB 1.442 33.931 32.500 -0.018 0.000 0.872 164 K HN -0.131 nan 8.250 nan 0.000 0.561 165 T N -1.813 112.710 114.554 -0.052 0.000 2.630 165 T HA 0.313 4.663 4.350 0.001 0.000 0.300 165 T C 0.088 174.746 174.700 -0.069 0.000 1.261 165 T CA -0.577 61.488 62.100 -0.058 0.000 1.060 165 T CB 1.586 70.413 68.868 -0.068 0.000 1.670 165 T HN -0.029 nan 8.240 nan 0.000 0.473 166 S N -0.671 114.983 115.700 -0.077 0.000 2.348 166 S HA 0.106 4.576 4.470 0.001 0.000 0.276 166 S C 1.674 176.215 174.600 -0.099 0.000 1.027 166 S CA 0.415 58.563 58.200 -0.086 0.000 1.386 166 S CB -0.105 63.058 63.200 -0.063 0.000 1.122 166 S HN 0.769 nan 8.310 nan 0.000 0.573 167 S N 1.922 117.570 115.700 -0.087 0.000 2.350 167 S HA 0.251 4.722 4.470 0.001 0.000 0.193 167 S C 0.459 174.994 174.600 -0.109 0.000 1.322 167 S CA 0.610 58.760 58.200 -0.085 0.000 2.111 167 S CB -0.322 62.838 63.200 -0.068 0.000 0.690 167 S HN 0.258 nan 8.310 nan 0.000 0.359 168 S N 0.258 115.895 115.700 -0.103 0.000 2.514 168 S HA 0.234 4.704 4.470 0.001 0.000 0.183 168 S C -0.840 173.708 174.600 -0.088 0.000 0.656 168 S CA -0.565 57.565 58.200 -0.117 0.000 0.872 168 S CB -0.212 62.921 63.200 -0.112 0.000 1.436 168 S HN 0.533 nan 8.310 nan 0.000 0.427 169 I N 3.056 123.576 120.570 -0.084 0.000 2.460 169 I HA 0.163 4.333 4.170 0.001 0.000 0.297 169 I C -2.299 173.789 176.117 -0.048 0.000 1.139 169 I CA -1.556 59.709 61.300 -0.058 0.000 1.340 169 I CB -0.211 37.761 38.000 -0.047 0.000 1.444 169 I HN 0.202 nan 8.210 nan 0.000 0.557 170 P HA 0.051 nan 4.420 nan 0.000 0.258 170 P C -2.360 174.922 177.300 -0.030 0.000 1.187 170 P CA -0.737 62.337 63.100 -0.042 0.000 0.767 170 P CB -0.160 31.515 31.700 -0.042 0.000 0.770 171 P HA 0.068 nan 4.420 nan 0.000 0.263 171 P C 0.573 177.866 177.300 -0.012 0.000 1.601 171 P CA 0.259 63.359 63.100 0.000 0.000 1.161 171 P CB -0.274 31.434 31.700 0.014 0.000 1.730 172 I N 1.765 122.319 120.570 -0.026 0.000 2.499 172 I HA -0.053 4.117 4.170 0.001 0.000 0.243 172 I C 2.085 178.163 176.117 -0.065 0.000 1.085 172 I CA 0.216 61.488 61.300 -0.046 0.000 1.422 172 I CB -0.943 37.021 38.000 -0.060 0.000 1.165 172 I HN 0.026 nan 8.210 nan 0.000 0.440 173 I N 1.691 122.208 120.570 -0.088 0.000 2.043 173 I HA -0.326 3.844 4.170 0.001 0.000 0.231 173 I C 2.732 178.831 176.117 -0.029 0.000 1.024 173 I CA 1.767 62.965 61.300 -0.170 0.000 1.309 173 I CB -1.171 36.766 38.000 -0.104 0.000 1.030 173 I HN 0.292 nan 8.210 nan 0.000 0.389 174 L N 0.849 122.144 121.223 0.119 0.000 2.103 174 L HA -0.223 4.117 4.340 0.001 0.000 0.215 174 L C 2.417 179.379 176.870 0.154 0.000 1.080 174 L CA 2.346 57.305 54.840 0.199 0.000 0.764 174 L CB -0.863 41.285 42.059 0.148 0.000 0.890 174 L HN 0.564 nan 8.230 nan 0.000 0.435 175 L N 0.271 121.549 121.223 0.092 0.000 2.131 175 L HA -0.116 4.224 4.340 0.001 0.000 0.206 175 L C 2.404 179.343 176.870 0.115 0.000 1.087 175 L CA 1.776 56.682 54.840 0.109 0.000 0.767 175 L CB -1.079 40.995 42.059 0.024 0.000 0.917 175 L HN 0.345 nan 8.230 nan 0.000 0.441 176 Q N -1.341 118.473 119.800 0.023 0.000 2.389 176 Q HA -0.019 4.321 4.340 0.001 0.000 0.204 176 Q C 1.977 177.985 176.000 0.013 0.000 0.944 176 Q CA 1.148 56.952 55.803 0.002 0.000 0.908 176 Q CB -0.328 28.364 28.738 -0.077 0.000 1.002 176 Q HN 0.579 nan 8.270 nan 0.000 0.493 177 F N -1.022 118.827 119.950 -0.168 0.000 2.234 177 F HA -0.122 4.405 4.527 0.001 0.000 0.296 177 F C 1.609 177.241 175.800 -0.282 0.000 1.089 177 F CA 0.120 57.895 58.000 -0.374 0.000 1.343 177 F CB 0.295 39.099 39.000 -0.327 0.000 1.040 177 F HN 0.230 nan 8.300 nan 0.000 0.498 178 L N 0.282 121.556 121.223 0.085 0.000 2.007 178 L HA -0.199 4.142 4.340 0.001 0.000 0.205 178 L C 2.057 178.817 176.870 -0.182 0.000 1.073 178 L CA 2.122 56.927 54.840 -0.058 0.000 0.744 178 L CB -1.447 40.671 42.059 0.098 0.000 0.898 178 L HN -0.004 nan 8.230 nan 0.000 0.435 179 H N -0.749 118.269 119.070 -0.088 0.000 2.357 179 H HA -0.216 4.341 4.556 0.001 0.000 0.296 179 H C 2.205 177.466 175.328 -0.112 0.000 1.108 179 H CA 2.696 58.700 56.048 -0.073 0.000 1.273 179 H CB -0.276 29.498 29.762 0.019 0.000 1.367 179 H HN 0.335 nan 8.280 nan 0.000 0.498 180 M N -0.588 119.029 119.600 0.028 0.000 2.065 180 M HA -0.230 4.250 4.480 0.001 0.000 0.259 180 M C 2.601 178.870 176.300 -0.053 0.000 1.071 180 M CA 1.455 56.770 55.300 0.026 0.000 1.109 180 M CB -0.364 32.279 32.600 0.072 0.000 1.313 180 M HN 0.407 nan 8.290 nan 0.000 0.408 181 A N 1.124 123.864 122.820 -0.134 0.000 2.007 181 A HA -0.193 4.128 4.320 0.001 0.000 0.214 181 A C 0.567 177.911 177.584 -0.400 0.000 1.302 181 A CA 1.709 53.539 52.037 -0.345 0.000 0.770 181 A CB -1.422 17.056 19.000 -0.870 0.000 0.831 181 A HN 0.519 nan 8.150 nan 0.000 0.491 182 F N -2.510 117.338 119.950 -0.170 0.000 2.347 182 F HA 0.525 5.053 4.527 0.001 0.000 0.366 182 F C -2.184 173.322 175.800 -0.491 0.000 1.107 182 F CA -2.405 55.403 58.000 -0.319 0.000 1.058 182 F CB 0.912 39.672 39.000 -0.401 0.000 1.236 182 F HN -0.006 nan 8.300 nan 0.000 0.456 183 P HA -0.204 nan 4.420 nan 0.000 0.221 183 P C 1.670 178.901 177.300 -0.115 0.000 1.145 183 P CA 1.094 64.105 63.100 -0.148 0.000 0.795 183 P CB 0.168 31.851 31.700 -0.028 0.000 0.775 184 Q N -0.523 119.191 119.800 -0.143 0.000 2.315 184 Q HA -0.170 4.170 4.340 0.001 0.000 0.213 184 Q C 0.113 176.286 176.000 0.289 0.000 0.994 184 Q CA 1.134 56.968 55.803 0.053 0.000 0.906 184 Q CB -0.871 27.920 28.738 0.088 0.000 0.918 184 Q HN 0.309 nan 8.270 nan 0.000 0.427 185 F N 0.420 120.334 119.950 -0.060 0.000 2.566 185 F HA 0.478 5.005 4.527 0.001 0.000 0.349 185 F C 0.148 176.009 175.800 0.103 0.000 1.245 185 F CA -0.539 57.415 58.000 -0.077 0.000 1.169 185 F CB 0.025 38.808 39.000 -0.362 0.000 1.470 185 F HN 0.067 nan 8.300 nan 0.000 0.634 186 A N 3.076 126.110 122.820 0.355 0.000 2.538 186 A HA 0.521 4.842 4.320 0.001 0.000 0.306 186 A C -0.973 176.766 177.584 0.258 0.000 0.999 186 A CA -0.722 51.541 52.037 0.375 0.000 0.829 186 A CB 0.902 20.140 19.000 0.396 0.000 1.143 186 A HN 0.644 nan 8.150 nan 0.000 0.378 187 E N 0.617 120.969 120.200 0.252 0.000 3.546 187 E HA 0.131 4.481 4.350 0.001 0.000 0.348 187 E C -1.445 175.228 176.600 0.122 0.000 1.092 187 E CA -0.581 55.914 56.400 0.158 0.000 0.878 187 E CB 1.018 30.794 29.700 0.127 0.000 1.210 187 E HN 0.695 nan 8.360 nan 0.000 0.497 188 K N 1.489 121.934 120.400 0.075 0.000 2.285 188 K HA 0.526 4.847 4.320 0.001 0.000 0.286 188 K C 0.363 176.987 176.600 0.041 0.000 1.072 188 K CA -0.488 55.825 56.287 0.042 0.000 0.913 188 K CB 1.254 33.761 32.500 0.011 0.000 1.067 188 K HN 0.376 nan 8.250 nan 0.000 0.479 189 G N 1.558 110.383 108.800 0.041 0.000 2.477 189 G HA2 0.119 4.080 3.960 0.001 0.000 0.304 189 G HA3 0.119 4.080 3.960 0.001 0.000 0.304 189 G C 0.407 175.321 174.900 0.023 0.000 1.175 189 G CA -0.505 44.617 45.100 0.035 0.000 0.907 189 G HN 0.898 nan 8.290 nan 0.000 0.509 190 E N -0.482 119.730 120.200 0.020 0.000 3.022 190 E HA -0.351 3.999 4.350 0.001 0.000 0.210 190 E C 0.894 177.499 176.600 0.008 0.000 0.881 190 E CA 2.500 58.908 56.400 0.014 0.000 1.524 190 E CB -0.336 29.372 29.700 0.013 0.000 1.544 190 E HN 0.514 nan 8.360 nan 0.000 0.432 191 Q N -0.124 119.680 119.800 0.006 0.000 2.965 191 Q HA 0.467 4.807 4.340 0.001 0.000 0.288 191 Q C -0.545 175.454 176.000 -0.002 0.000 0.974 191 Q CA 0.049 55.852 55.803 -0.001 0.000 0.849 191 Q CB 1.495 30.231 28.738 -0.002 0.000 1.280 191 Q HN 0.388 nan 8.270 nan 0.000 0.441 192 G N 0.664 109.463 108.800 -0.002 0.000 2.753 192 G HA2 0.528 4.489 3.960 0.001 0.000 0.303 192 G HA3 0.528 4.489 3.960 0.001 0.000 0.303 192 G C -1.728 173.163 174.900 -0.016 0.000 1.242 192 G CA -0.422 44.676 45.100 -0.002 0.000 0.810 192 G HN 0.221 nan 8.290 nan 0.000 0.515 193 Q N -1.498 118.298 119.800 -0.006 0.000 2.613 193 Q HA 0.444 4.784 4.340 0.001 0.000 0.231 193 Q C -2.012 174.024 176.000 0.059 0.000 0.879 193 Q CA -0.692 55.080 55.803 -0.051 0.000 1.083 193 Q CB 0.963 29.597 28.738 -0.172 0.000 1.588 193 Q HN 1.091 nan 8.270 nan 0.000 0.500 194 Y N 1.792 122.107 120.300 0.024 0.000 2.795 194 Y HA -0.159 4.392 4.550 0.001 0.000 0.031 194 Y C -1.001 174.930 175.900 0.051 0.000 2.076 194 Y CA -0.093 58.031 58.100 0.040 0.000 1.211 194 Y CB -1.059 37.397 38.460 -0.006 0.000 1.890 194 Y HN 0.720 nan 8.280 nan 0.000 0.286 195 L N 3.735 125.099 121.223 0.235 0.000 2.490 195 L HA 0.381 4.721 4.340 0.001 0.000 0.245 195 L C 0.751 177.679 176.870 0.096 0.000 1.185 195 L CA -0.650 54.275 54.840 0.141 0.000 0.813 195 L CB 0.594 42.735 42.059 0.136 0.000 1.233 195 L HN 0.579 nan 8.230 nan 0.000 0.489 196 Q N 0.740 120.583 119.800 0.073 0.000 2.316 196 Q HA 0.455 4.795 4.340 0.001 0.000 0.264 196 Q C -1.430 174.600 176.000 0.051 0.000 0.987 196 Q CA -0.960 54.886 55.803 0.073 0.000 0.852 196 Q CB 2.481 31.229 28.738 0.016 0.000 1.287 196 Q HN 0.401 nan 8.270 nan 0.000 0.448 197 Q N 1.071 120.900 119.800 0.049 0.000 2.852 197 Q HA 0.349 4.689 4.340 0.001 0.000 0.262 197 Q C -0.997 174.704 176.000 -0.498 0.000 1.051 197 Q CA -0.713 54.892 55.803 -0.330 0.000 0.894 197 Q CB 1.260 29.517 28.738 -0.801 0.000 1.381 197 Q HN 0.745 nan 8.270 nan 0.000 0.501 198 D N -0.497 119.624 120.400 -0.466 0.000 2.210 198 D HA 0.330 4.970 4.640 0.001 0.000 0.249 198 D C 0.293 176.489 176.300 -0.173 0.000 1.078 198 D CA -0.003 53.892 54.000 -0.174 0.000 0.875 198 D CB 1.846 42.658 40.800 0.020 0.000 1.175 198 D HN 0.534 nan 8.370 nan 0.000 0.440 199 A N 4.616 127.647 122.820 0.352 0.000 1.858 199 A HA -0.255 4.065 4.320 0.001 0.000 0.216 199 A C 1.943 179.691 177.584 0.272 0.000 1.190 199 A CA 1.759 53.997 52.037 0.334 0.000 0.617 199 A CB -0.764 18.407 19.000 0.285 0.000 0.827 199 A HN 0.739 nan 8.150 nan 0.000 0.443 200 N N -0.222 118.687 118.700 0.348 0.000 2.037 200 N HA -0.239 4.502 4.740 0.001 0.000 0.196 200 N C 1.751 177.397 175.510 0.227 0.000 1.034 200 N CA 2.030 55.278 53.050 0.330 0.000 0.861 200 N CB -0.374 38.331 38.487 0.363 0.000 1.039 200 N HN 0.639 nan 8.380 nan 0.000 0.427 201 E N -0.482 119.815 120.200 0.161 0.000 2.147 201 E HA -0.290 4.060 4.350 0.001 0.000 0.199 201 E C 2.168 178.872 176.600 0.174 0.000 1.005 201 E CA 1.535 58.010 56.400 0.125 0.000 0.810 201 E CB -0.321 29.446 29.700 0.112 0.000 0.736 201 E HN 0.586 nan 8.360 nan 0.000 0.460 202 C N 0.186 119.593 119.300 0.179 0.000 2.489 202 C HA -0.102 4.358 4.460 0.001 0.000 0.279 202 C C 2.368 177.502 174.990 0.240 0.000 1.266 202 C CA 0.678 59.846 59.018 0.249 0.000 1.707 202 C CB -1.633 26.195 27.740 0.147 0.000 2.059 202 C HN 0.772 nan 8.230 nan 0.000 0.481 203 W N 1.629 122.961 121.300 0.054 0.000 2.311 203 W HA -0.128 4.533 4.660 0.001 0.000 0.326 203 W C 2.291 178.778 176.519 -0.053 0.000 1.239 203 W CA 1.981 59.326 57.345 -0.001 0.000 1.258 203 W CB -1.249 28.202 29.460 -0.015 0.000 1.165 203 W HN 0.387 nan 8.180 nan 0.000 0.466 204 I N 0.426 121.162 120.570 0.277 0.000 2.185 204 I HA -0.398 3.772 4.170 0.001 0.000 0.246 204 I C 2.498 178.622 176.117 0.012 0.000 1.088 204 I CA 2.075 63.418 61.300 0.072 0.000 1.347 204 I CB -0.648 37.348 38.000 -0.006 0.000 1.041 204 I HN 0.080 nan 8.210 nan 0.000 0.415 205 Q N -0.201 119.589 119.800 -0.016 0.000 2.083 205 Q HA -0.138 4.203 4.340 0.001 0.000 0.198 205 Q C 2.153 178.121 176.000 -0.055 0.000 0.969 205 Q CA 1.416 57.105 55.803 -0.191 0.000 0.838 205 Q CB -0.065 28.428 28.738 -0.408 0.000 0.900 205 Q HN 0.326 nan 8.270 nan 0.000 0.436 206 M N -1.060 118.582 119.600 0.072 0.000 2.117 206 M HA -0.152 4.328 4.480 0.001 0.000 0.262 206 M C 1.793 178.092 176.300 -0.002 0.000 1.065 206 M CA 1.297 56.635 55.300 0.063 0.000 1.114 206 M CB -0.078 32.523 32.600 0.001 0.000 1.361 206 M HN 0.259 nan 8.290 nan 0.000 0.408 207 M N -0.525 119.091 119.600 0.026 0.000 2.086 207 M HA -0.184 4.296 4.480 0.001 0.000 0.261 207 M C 2.119 178.393 176.300 -0.044 0.000 1.067 207 M CA 1.718 57.008 55.300 -0.016 0.000 1.116 207 M CB -0.636 31.994 32.600 0.049 0.000 1.348 207 M HN 0.110 nan 8.290 nan 0.000 0.407 208 R N 0.264 120.734 120.500 -0.050 0.000 2.133 208 R HA -0.172 4.168 4.340 0.001 0.000 0.245 208 R C 1.958 178.220 176.300 -0.063 0.000 1.137 208 R CA 2.505 58.562 56.100 -0.072 0.000 0.947 208 R CB -1.361 28.866 30.300 -0.122 0.000 0.865 208 R HN 0.441 nan 8.270 nan 0.000 0.437 209 V N -0.895 118.989 119.914 -0.050 0.000 2.358 209 V HA -0.185 3.936 4.120 0.001 0.000 0.246 209 V C 2.728 178.779 176.094 -0.073 0.000 1.047 209 V CA 1.694 63.970 62.300 -0.041 0.000 1.035 209 V CB -0.911 30.922 31.823 0.017 0.000 0.658 209 V HN 0.180 nan 8.190 nan 0.000 0.452 210 L N 0.233 121.410 121.223 -0.077 0.000 2.012 210 L HA -0.261 4.079 4.340 0.001 0.000 0.210 210 L C 3.042 179.856 176.870 -0.093 0.000 1.073 210 L CA 2.472 57.247 54.840 -0.109 0.000 0.748 210 L CB -0.683 41.308 42.059 -0.114 0.000 0.891 210 L HN 0.507 nan 8.230 nan 0.000 0.431 211 Q N -0.120 119.645 119.800 -0.058 0.000 2.152 211 Q HA -0.328 4.012 4.340 0.001 0.000 0.206 211 Q C 2.147 178.121 176.000 -0.044 0.000 0.985 211 Q CA 2.168 57.956 55.803 -0.026 0.000 0.863 211 Q CB -0.086 28.643 28.738 -0.016 0.000 0.904 211 Q HN 0.546 nan 8.270 nan 0.000 0.422 212 Q N -0.629 119.131 119.800 -0.067 0.000 2.049 212 Q HA -0.117 4.223 4.340 0.001 0.000 0.198 212 Q C 1.667 177.602 176.000 -0.109 0.000 0.971 212 Q CA 1.219 56.976 55.803 -0.075 0.000 0.833 212 Q CB 0.286 28.979 28.738 -0.075 0.000 0.896 212 Q HN 0.147 nan 8.270 nan 0.000 0.434 213 K N -0.251 120.046 120.400 -0.172 0.000 2.276 213 K HA 0.166 4.487 4.320 0.001 0.000 0.198 213 K C 0.364 176.756 176.600 -0.347 0.000 1.052 213 K CA 0.145 56.256 56.287 -0.292 0.000 0.984 213 K CB 0.248 32.474 32.500 -0.458 0.000 0.836 213 K HN 0.221 nan 8.250 nan 0.000 0.490 214 L N 2.473 123.539 121.223 -0.261 0.000 2.410 214 L HA 0.070 4.410 4.340 0.001 0.000 0.273 214 L C 0.658 177.471 176.870 -0.094 0.000 1.152 214 L CA 0.117 54.839 54.840 -0.196 0.000 0.855 214 L CB 0.398 42.383 42.059 -0.124 0.000 1.129 214 L HN 0.072 nan 8.230 nan 0.000 0.463 215 E N 1.357 121.519 120.200 -0.064 0.000 2.314 215 E HA 0.514 4.864 4.350 0.001 0.000 0.262 215 E C -0.460 176.160 176.600 0.033 0.000 1.093 215 E CA -0.749 55.645 56.400 -0.010 0.000 0.908 215 E CB 1.513 31.213 29.700 0.001 0.000 1.091 215 E HN 0.685 nan 8.360 nan 0.000 0.425 216 A N 2.403 125.253 122.820 0.051 0.000 2.331 216 A HA 0.363 4.684 4.320 0.001 0.000 0.283 216 A C 0.051 177.685 177.584 0.084 0.000 1.142 216 A CA -0.539 51.549 52.037 0.087 0.000 0.812 216 A CB 0.008 19.054 19.000 0.078 0.000 1.074 216 A HN 0.545 nan 8.150 nan 0.000 0.497 217 I N 0.662 121.303 120.570 0.118 0.000 2.496 217 I HA 0.293 4.463 4.170 0.001 0.000 0.285 217 I C -0.171 175.992 176.117 0.076 0.000 1.080 217 I CA 0.187 61.547 61.300 0.100 0.000 1.404 217 I CB 0.371 38.452 38.000 0.135 0.000 1.403 217 I HN 0.603 nan 8.210 nan 0.000 0.539 218 E N 5.339 125.572 120.200 0.055 0.000 2.235 218 E HA 0.304 4.654 4.350 0.001 0.000 0.252 218 E C -1.382 175.239 176.600 0.035 0.000 0.886 218 E CA -0.712 55.712 56.400 0.040 0.000 0.767 218 E CB 1.763 31.483 29.700 0.033 0.000 1.205 218 E HN 0.523 nan 8.360 nan 0.000 0.421 219 D N 2.518 122.937 120.400 0.031 0.000 2.264 219 D HA 0.154 4.795 4.640 0.001 0.000 0.249 219 D C -0.232 176.082 176.300 0.023 0.000 1.070 219 D CA 0.035 54.052 54.000 0.028 0.000 0.912 219 D CB 1.318 42.135 40.800 0.028 0.000 1.193 219 D HN 0.327 nan 8.370 nan 0.000 0.427 235 P HA 0.514 nan 4.420 nan 0.000 0.274 235 P C -0.924 176.380 177.300 0.008 0.000 1.231 235 P CA -0.278 62.826 63.100 0.007 0.000 0.790 235 P CB 0.545 32.249 31.700 0.007 0.000 0.951 236 S N 0.868 116.572 115.700 0.007 0.000 2.512 236 S HA 0.391 4.861 4.470 0.001 0.000 0.291 236 S C 0.042 174.646 174.600 0.007 0.000 1.151 236 S CA -0.681 57.523 58.200 0.007 0.000 1.120 236 S CB 0.505 63.708 63.200 0.005 0.000 1.029 236 S HN 0.347 nan 8.310 nan 0.000 0.485 237 K N 2.122 122.527 120.400 0.009 0.000 3.690 237 K HA 0.404 4.724 4.320 0.001 0.000 0.291 237 K C -0.423 176.184 176.600 0.012 0.000 0.984 237 K CA -0.970 55.322 56.287 0.009 0.000 1.581 237 K CB 0.300 32.804 32.500 0.007 0.000 3.336 237 K HN 0.298 nan 8.250 nan 0.000 0.998 238 K N 2.477 122.886 120.400 0.014 0.000 2.338 238 K HA 0.082 4.402 4.320 0.001 0.000 0.290 238 K C -0.507 176.111 176.600 0.029 0.000 1.069 238 K CA 0.350 56.651 56.287 0.022 0.000 0.941 238 K CB 0.537 33.048 32.500 0.019 0.000 1.023 238 K HN 0.197 nan 8.250 nan 0.000 0.477 239 K N 2.359 122.777 120.400 0.030 0.000 2.842 239 K HA 0.113 4.434 4.320 0.001 0.000 0.176 239 K C -1.634 174.984 176.600 0.030 0.000 1.080 239 K CA -0.244 56.060 56.287 0.029 0.000 0.954 239 K CB 0.483 32.993 32.500 0.017 0.000 1.203 239 K HN 0.630 nan 8.250 nan 0.000 0.611 240 S N 1.921 117.652 115.700 0.052 0.000 2.354 240 S HA 0.009 4.479 4.470 0.001 0.000 0.306 240 S C 0.308 174.976 174.600 0.114 0.000 0.900 240 S CA -0.891 57.342 58.200 0.055 0.000 0.921 240 S CB 0.687 63.913 63.200 0.045 0.000 1.209 240 S HN 0.259 nan 8.310 nan 0.000 0.433 241 L N 2.886 124.177 121.223 0.113 0.000 2.054 241 L HA -0.158 4.183 4.340 0.001 0.000 0.220 241 L C 1.885 178.940 176.870 0.309 0.000 1.081 241 L CA 2.197 57.152 54.840 0.191 0.000 0.780 241 L CB -1.137 40.969 42.059 0.078 0.000 0.893 241 L HN 0.926 nan 8.230 nan 0.000 0.438 242 I N -0.378 120.343 120.570 0.252 0.000 2.113 242 I HA -0.342 3.828 4.170 0.001 0.000 0.238 242 I C 2.231 178.574 176.117 0.378 0.000 1.070 242 I CA 1.680 63.215 61.300 0.392 0.000 1.332 242 I CB -0.442 37.679 38.000 0.202 0.000 1.044 242 I HN 0.295 nan 8.210 nan 0.000 0.402 243 D N 0.387 120.917 120.400 0.216 0.000 2.203 243 D HA -0.242 4.398 4.640 0.001 0.000 0.199 243 D C 2.182 178.576 176.300 0.157 0.000 0.997 243 D CA 1.328 55.422 54.000 0.157 0.000 0.863 243 D CB -0.215 40.639 40.800 0.089 0.000 0.928 243 D HN 0.500 nan 8.370 nan 0.000 0.458 244 Q N -1.061 118.857 119.800 0.197 0.000 2.083 244 Q HA -0.085 4.255 4.340 0.001 0.000 0.198 244 Q C 1.402 177.414 176.000 0.019 0.000 0.969 244 Q CA 0.861 56.725 55.803 0.103 0.000 0.838 244 Q CB 0.024 28.860 28.738 0.164 0.000 0.900 244 Q HN 0.354 nan 8.270 nan 0.000 0.436 245 F N -2.399 117.566 119.950 0.024 0.000 2.678 245 F HA 0.193 4.721 4.527 0.001 0.000 0.305 245 F C 0.789 176.350 175.800 -0.399 0.000 1.090 245 F CA -0.053 57.851 58.000 -0.161 0.000 1.272 245 F CB 0.581 39.472 39.000 -0.181 0.000 1.060 245 F HN -0.054 nan 8.300 nan 0.000 0.576 246 F N -0.998 119.123 119.950 0.284 0.000 2.819 246 F HA 0.378 4.905 4.527 0.001 0.000 0.325 246 F C 1.657 177.518 175.800 0.101 0.000 1.041 246 F CA -0.516 57.600 58.000 0.194 0.000 1.184 246 F CB -0.324 38.771 39.000 0.158 0.000 1.019 246 F HN -0.206 nan 8.300 nan 0.000 0.590 247 G N 1.589 110.524 108.800 0.225 0.000 2.432 247 G HA2 0.466 4.427 3.960 0.001 0.000 0.257 247 G HA3 0.466 4.427 3.960 0.001 0.000 0.257 247 G C -0.777 174.171 174.900 0.080 0.000 1.238 247 G CA -0.243 44.928 45.100 0.119 0.000 0.838 247 G HN 0.018 nan 8.290 nan 0.000 0.547 248 V N 0.327 120.270 119.914 0.049 0.000 2.448 248 V HA 0.585 4.706 4.120 0.001 0.000 0.295 248 V C -0.129 176.011 176.094 0.077 0.000 1.025 248 V CA -1.211 61.142 62.300 0.088 0.000 0.859 248 V CB 1.508 33.411 31.823 0.134 0.000 0.988 248 V HN 0.752 nan 8.190 nan 0.000 0.431 249 E N 3.190 123.484 120.200 0.157 0.000 2.283 249 E HA 0.646 4.996 4.350 0.001 0.000 0.267 249 E C -1.395 175.487 176.600 0.471 0.000 1.045 249 E CA -0.510 55.997 56.400 0.177 0.000 0.884 249 E CB 2.018 31.780 29.700 0.103 0.000 1.106 249 E HN 0.728 nan 8.360 nan 0.000 0.408 250 F N 0.334 120.278 119.950 -0.010 0.000 2.588 250 F HA 0.299 4.826 4.527 0.001 0.000 0.314 250 F C -0.095 175.695 175.800 -0.015 0.000 1.069 250 F CA -0.823 57.169 58.000 -0.013 0.000 0.931 250 F CB 2.190 41.184 39.000 -0.009 0.000 1.260 250 F HN 0.336 nan 8.300 nan 0.000 0.465 251 E N 1.575 121.778 120.200 0.005 0.000 2.191 251 E HA 0.281 4.631 4.350 0.001 0.000 0.263 251 E C -1.445 175.132 176.600 -0.038 0.000 0.881 251 E CA -0.384 56.005 56.400 -0.018 0.000 0.757 251 E CB 1.971 31.633 29.700 -0.062 0.000 1.147 251 E HN 0.532 nan 8.360 nan 0.000 0.414 252 T N 2.361 116.921 114.554 0.010 0.000 2.848 252 T HA 0.445 4.795 4.350 0.001 0.000 0.285 252 T C -0.855 173.843 174.700 -0.003 0.000 0.995 252 T CA -0.490 61.615 62.100 0.008 0.000 0.970 252 T CB 1.273 70.173 68.868 0.053 0.000 0.976 252 T HN 0.449 nan 8.240 nan 0.000 0.441 253 T N 3.223 117.766 114.554 -0.019 0.000 2.824 253 T HA 0.689 5.039 4.350 0.001 0.000 0.282 253 T C -0.460 174.225 174.700 -0.026 0.000 0.993 253 T CA -0.911 61.174 62.100 -0.026 0.000 0.967 253 T CB 1.303 70.148 68.868 -0.039 0.000 0.960 253 T HN 0.747 nan 8.240 nan 0.000 0.441 254 M N 4.447 124.029 119.600 -0.031 0.000 2.151 254 M HA 0.494 4.974 4.480 0.001 0.000 0.290 254 M C -1.288 174.941 176.300 -0.117 0.000 0.965 254 M CA -0.602 54.673 55.300 -0.041 0.000 0.930 254 M CB 1.445 34.052 32.600 0.012 0.000 1.560 254 M HN 0.876 nan 8.290 nan 0.000 0.438 255 K N 3.485 123.796 120.400 -0.149 0.000 2.259 255 K HA 0.587 4.907 4.320 0.001 0.000 0.249 255 K C -0.757 175.648 176.600 -0.325 0.000 0.942 255 K CA -0.937 55.211 56.287 -0.231 0.000 0.816 255 K CB 2.015 34.431 32.500 -0.141 0.000 1.155 255 K HN 0.734 nan 8.250 nan 0.000 0.428 256 C N 1.608 120.630 119.300 -0.464 0.000 2.656 256 C HA 0.160 4.620 4.460 0.001 0.000 0.391 256 C C 1.341 176.252 174.990 -0.132 0.000 1.300 256 C CA 0.076 58.851 59.018 -0.406 0.000 2.302 256 C CB -0.144 27.365 27.740 -0.386 0.000 2.655 256 C HN 0.935 nan 8.230 nan 0.000 0.656 257 T N 2.249 116.788 114.554 -0.026 0.000 3.100 257 T HA 0.062 4.413 4.350 0.001 0.000 0.253 257 T C 0.233 174.930 174.700 -0.005 0.000 1.118 257 T CA 0.788 62.884 62.100 -0.008 0.000 1.058 257 T CB -0.221 68.660 68.868 0.021 0.000 0.953 257 T HN 0.752 nan 8.240 nan 0.000 0.515 258 E N 1.436 121.635 120.200 -0.001 0.000 2.042 258 E HA 0.365 4.715 4.350 0.001 0.000 0.260 258 E C 0.726 177.317 176.600 -0.014 0.000 0.975 258 E CA -0.280 56.122 56.400 0.003 0.000 0.799 258 E CB 0.613 30.329 29.700 0.026 0.000 1.131 258 E HN 0.044 nan 8.360 nan 0.000 0.423 259 S N 2.681 118.370 115.700 -0.019 0.000 2.724 259 S HA -0.455 4.015 4.470 0.001 0.000 0.348 259 S C 1.812 176.396 174.600 -0.026 0.000 1.374 259 S CA 2.090 60.276 58.200 -0.023 0.000 1.101 259 S CB -0.555 62.636 63.200 -0.015 0.000 1.222 259 S HN 0.875 nan 8.310 nan 0.000 0.442 260 E N 1.673 121.863 120.200 -0.017 0.000 2.782 260 E HA -0.366 3.984 4.350 0.001 0.000 0.241 260 E C 0.479 177.066 176.600 -0.023 0.000 0.998 260 E CA 2.697 59.089 56.400 -0.014 0.000 1.535 260 E CB -0.839 28.858 29.700 -0.006 0.000 1.442 260 E HN 0.815 nan 8.360 nan 0.000 0.461 261 E N -0.424 119.753 120.200 -0.038 0.000 3.684 261 E HA -0.113 4.237 4.350 0.001 0.000 0.214 261 E C -1.377 175.195 176.600 -0.047 0.000 1.216 261 E CA 0.699 57.072 56.400 -0.046 0.000 0.930 261 E CB -1.279 28.401 29.700 -0.033 0.000 1.100 261 E HN 0.538 nan 8.360 nan 0.000 0.422 262 E N 2.024 122.180 120.200 -0.072 0.000 2.242 262 E HA 0.157 4.508 4.350 0.001 0.000 0.275 262 E C -0.260 176.292 176.600 -0.080 0.000 1.002 262 E CA -0.607 55.753 56.400 -0.066 0.000 0.841 262 E CB 0.831 30.485 29.700 -0.078 0.000 1.109 262 E HN 0.391 nan 8.360 nan 0.000 0.394 263 E N 0.726 120.897 120.200 -0.047 0.000 3.250 263 E HA -0.109 4.241 4.350 0.001 0.000 0.244 263 E C -0.497 176.064 176.600 -0.065 0.000 0.931 263 E CA -0.067 56.309 56.400 -0.041 0.000 0.954 263 E CB -0.128 29.563 29.700 -0.016 0.000 0.894 263 E HN 0.041 nan 8.360 nan 0.000 0.560 264 V N 5.357 125.231 119.914 -0.067 0.000 2.381 264 V HA 0.008 4.128 4.120 0.001 0.000 0.257 264 V C 0.666 176.732 176.094 -0.047 0.000 1.057 264 V CA 0.271 62.526 62.300 -0.076 0.000 1.013 264 V CB 0.064 31.846 31.823 -0.068 0.000 1.069 264 V HN 0.769 nan 8.190 nan 0.000 0.484 265 T N 3.991 118.522 114.554 -0.039 0.000 2.727 265 T HA 0.371 4.721 4.350 0.001 0.000 0.295 265 T C -0.117 174.579 174.700 -0.008 0.000 0.915 265 T CA -0.806 61.286 62.100 -0.012 0.000 1.066 265 T CB 0.515 69.389 68.868 0.010 0.000 0.891 265 T HN 0.505 nan 8.240 nan 0.000 0.516 266 K N 2.128 122.523 120.400 -0.008 0.000 2.098 266 K HA 0.726 5.047 4.320 0.001 0.000 0.257 266 K C 0.412 177.016 176.600 0.006 0.000 0.999 266 K CA -0.828 55.456 56.287 -0.006 0.000 0.924 266 K CB 1.653 34.147 32.500 -0.011 0.000 1.028 266 K HN 0.899 nan 8.250 nan 0.000 0.466 267 G N 0.810 109.619 108.800 0.014 0.000 2.506 267 G HA2 0.332 4.292 3.960 0.001 0.000 0.292 267 G HA3 0.332 4.292 3.960 0.001 0.000 0.292 267 G C -1.590 173.334 174.900 0.041 0.000 1.425 267 G CA -0.666 44.449 45.100 0.025 0.000 0.788 267 G HN 0.369 nan 8.290 nan 0.000 0.490 268 K N -0.399 120.030 120.400 0.049 0.000 2.352 268 K HA 0.737 5.057 4.320 0.001 0.000 0.240 268 K C -1.006 175.642 176.600 0.080 0.000 1.017 268 K CA -0.737 55.595 56.287 0.076 0.000 0.851 268 K CB 2.540 35.075 32.500 0.058 0.000 1.261 268 K HN 0.569 nan 8.250 nan 0.000 0.451 269 E N 0.675 120.940 120.200 0.108 0.000 2.363 269 E HA 0.252 4.603 4.350 0.001 0.000 0.281 269 E C -1.351 175.230 176.600 -0.033 0.000 0.953 269 E CA -0.849 55.570 56.400 0.032 0.000 0.778 269 E CB 1.813 31.524 29.700 0.020 0.000 1.220 269 E HN 0.402 nan 8.360 nan 0.000 0.431 270 N N 1.551 120.202 118.700 -0.081 0.000 2.518 270 N HA 0.481 5.221 4.740 0.001 0.000 0.284 270 N C -0.828 174.567 175.510 -0.191 0.000 1.230 270 N CA -0.453 52.534 53.050 -0.106 0.000 0.941 270 N CB 1.759 40.218 38.487 -0.046 0.000 1.219 270 N HN 0.409 nan 8.380 nan 0.000 0.560 271 Q N 0.264 119.964 119.800 -0.168 0.000 2.805 271 Q HA 0.144 4.485 4.340 0.001 0.000 0.257 271 Q C -0.596 175.346 176.000 -0.098 0.000 0.977 271 Q CA -0.279 55.420 55.803 -0.174 0.000 0.901 271 Q CB 0.977 29.535 28.738 -0.301 0.000 1.778 271 Q HN 0.434 nan 8.270 nan 0.000 0.441 272 L N 0.690 121.870 121.223 -0.072 0.000 2.556 272 L HA 0.252 4.592 4.340 0.001 0.000 0.226 272 L C 0.315 177.159 176.870 -0.044 0.000 1.089 272 L CA 0.670 55.504 54.840 -0.011 0.000 0.864 272 L CB 0.597 42.650 42.059 -0.010 0.000 1.067 272 L HN 0.448 nan 8.230 nan 0.000 0.477 273 Q N 0.736 120.468 119.800 -0.113 0.000 2.295 273 Q HA 0.296 4.637 4.340 0.001 0.000 0.259 273 Q C -1.439 174.474 176.000 -0.144 0.000 0.966 273 Q CA -0.700 55.008 55.803 -0.159 0.000 0.763 273 Q CB 1.825 30.405 28.738 -0.263 0.000 1.283 273 Q HN -0.051 nan 8.270 nan 0.000 0.445 274 L N 2.691 123.855 121.223 -0.098 0.000 2.477 274 L HA 0.185 4.525 4.340 0.001 0.000 0.272 274 L C -0.270 176.532 176.870 -0.115 0.000 1.157 274 L CA 0.920 55.723 54.840 -0.062 0.000 0.889 274 L CB 1.185 43.249 42.059 0.007 0.000 1.158 274 L HN 0.574 nan 8.230 nan 0.000 0.473 275 S N 2.672 118.318 115.700 -0.090 0.000 2.499 275 S HA 0.162 4.632 4.470 0.001 0.000 0.275 275 S C -0.153 174.313 174.600 -0.224 0.000 1.257 275 S CA -0.610 57.459 58.200 -0.219 0.000 1.050 275 S CB 0.557 63.668 63.200 -0.148 0.000 0.937 275 S HN 0.746 nan 8.310 nan 0.000 0.490 276 C N 6.818 125.889 119.300 -0.381 0.000 2.242 276 C HA 0.564 5.024 4.460 0.001 0.000 0.317 276 C C -0.204 174.555 174.990 -0.385 0.000 1.087 276 C CA -1.247 57.618 59.018 -0.255 0.000 1.535 276 C CB -2.491 25.132 27.740 -0.196 0.000 1.893 276 C HN 0.715 nan 8.230 nan 0.000 0.426 277 F N 4.109 124.016 119.950 -0.072 0.000 2.539 277 F HA 0.391 4.918 4.527 0.001 0.000 0.340 277 F C 0.901 176.653 175.800 -0.080 0.000 1.185 277 F CA 0.183 58.135 58.000 -0.080 0.000 1.333 277 F CB 0.461 39.433 39.000 -0.046 0.000 1.152 277 F HN 0.336 nan 8.300 nan 0.000 0.602 278 I N 2.818 123.407 120.570 0.032 0.000 2.476 278 I HA 0.214 4.384 4.170 0.001 0.000 0.281 278 I C -0.669 175.452 176.117 0.007 0.000 1.040 278 I CA -0.521 60.767 61.300 -0.020 0.000 1.094 278 I CB 1.211 39.127 38.000 -0.140 0.000 1.219 278 I HN 0.526 nan 8.210 nan 0.000 0.450 279 N N 4.406 123.177 118.700 0.118 0.000 2.269 279 N HA 0.230 4.970 4.740 0.001 0.000 0.304 279 N C 0.453 176.079 175.510 0.193 0.000 1.072 279 N CA -0.493 52.670 53.050 0.189 0.000 0.802 279 N CB 2.276 40.852 38.487 0.147 0.000 1.348 279 N HN 0.429 nan 8.380 nan 0.000 0.484 280 Q N 1.007 120.946 119.800 0.230 0.000 2.615 280 Q HA -0.096 4.244 4.340 0.001 0.000 0.220 280 Q C 0.553 176.629 176.000 0.128 0.000 0.981 280 Q CA 0.873 56.779 55.803 0.171 0.000 0.939 280 Q CB 0.079 28.901 28.738 0.140 0.000 0.982 280 Q HN 0.654 nan 8.270 nan 0.000 0.550 281 E N -0.348 119.926 120.200 0.124 0.000 2.122 281 E HA -0.016 4.334 4.350 0.001 0.000 0.190 281 E C 0.226 176.897 176.600 0.119 0.000 0.977 281 E CA 0.269 56.731 56.400 0.105 0.000 0.820 281 E CB 0.503 30.259 29.700 0.093 0.000 0.770 281 E HN 0.074 nan 8.360 nan 0.000 0.462 282 V N 2.082 122.076 119.914 0.133 0.000 2.488 282 V HA 0.106 4.226 4.120 0.001 0.000 0.277 282 V C 0.714 176.904 176.094 0.159 0.000 1.046 282 V CA 0.058 62.450 62.300 0.153 0.000 0.986 282 V CB 1.227 33.135 31.823 0.140 0.000 0.989 282 V HN 0.072 nan 8.190 nan 0.000 0.475 283 K N 3.012 123.548 120.400 0.226 0.000 2.517 283 K HA 0.291 4.611 4.320 0.001 0.000 0.210 283 K C -0.890 175.803 176.600 0.156 0.000 1.166 283 K CA 0.170 56.579 56.287 0.204 0.000 1.030 283 K CB 0.898 33.559 32.500 0.268 0.000 0.974 283 K HN 0.735 nan 8.250 nan 0.000 0.585 284 Y N 0.676 121.041 120.300 0.108 0.000 2.332 284 Y HA 0.059 4.610 4.550 0.001 0.000 0.325 284 Y C 1.085 177.082 175.900 0.162 0.000 1.054 284 Y CA -0.898 57.284 58.100 0.137 0.000 1.119 284 Y CB 1.789 40.328 38.460 0.132 0.000 1.168 284 Y HN -0.231 nan 8.280 nan 0.000 0.439 285 L N 3.416 124.776 121.223 0.229 0.000 2.143 285 L HA -0.351 3.989 4.340 0.001 0.000 0.231 285 L C 1.868 178.854 176.870 0.193 0.000 1.106 285 L CA 2.289 57.229 54.840 0.167 0.000 0.827 285 L CB -1.092 41.069 42.059 0.170 0.000 0.915 285 L HN 0.788 nan 8.230 nan 0.000 0.448 286 F N 0.187 120.226 119.950 0.148 0.000 2.037 286 F HA -0.428 4.099 4.527 0.001 0.000 0.296 286 F C 2.485 178.337 175.800 0.087 0.000 1.132 286 F CA 3.176 61.237 58.000 0.102 0.000 1.211 286 F CB -0.788 38.267 39.000 0.091 0.000 0.951 286 F HN 0.280 nan 8.300 nan 0.000 0.503 287 T N -0.301 114.557 114.554 0.506 0.000 2.653 287 T HA -0.265 4.085 4.350 0.001 0.000 0.268 287 T C 2.030 176.868 174.700 0.230 0.000 1.035 287 T CA 1.503 63.808 62.100 0.342 0.000 1.154 287 T CB -1.538 67.468 68.868 0.229 0.000 0.862 287 T HN 0.548 nan 8.240 nan 0.000 0.441 288 G N 1.121 110.030 108.800 0.180 0.000 2.499 288 G HA2 -0.149 3.812 3.960 0.001 0.000 0.221 288 G HA3 -0.149 3.812 3.960 0.001 0.000 0.221 288 G C 1.341 176.330 174.900 0.150 0.000 1.109 288 G CA 0.557 45.745 45.100 0.145 0.000 0.749 288 G HN 0.503 nan 8.290 nan 0.000 0.568 289 L N -0.899 120.379 121.223 0.090 0.000 2.492 289 L HA 0.161 4.501 4.340 0.001 0.000 0.223 289 L C 2.580 179.495 176.870 0.075 0.000 1.132 289 L CA 0.698 55.557 54.840 0.031 0.000 0.850 289 L CB 0.126 42.084 42.059 -0.168 0.000 0.966 289 L HN 0.157 nan 8.230 nan 0.000 0.454 290 K N -0.781 119.699 120.400 0.133 0.000 2.287 290 K HA 0.107 4.427 4.320 0.001 0.000 0.199 290 K C 1.407 178.056 176.600 0.082 0.000 1.061 290 K CA 0.104 56.462 56.287 0.120 0.000 0.976 290 K CB 0.126 32.726 32.500 0.167 0.000 0.898 290 K HN 0.002 nan 8.250 nan 0.000 0.492 291 L N 1.551 122.830 121.223 0.094 0.000 2.757 291 L HA -0.101 4.239 4.340 0.001 0.000 0.243 291 L C 1.865 178.703 176.870 -0.053 0.000 1.182 291 L CA 1.394 56.258 54.840 0.039 0.000 0.851 291 L CB -0.625 41.477 42.059 0.072 0.000 0.989 291 L HN 0.143 nan 8.230 nan 0.000 0.457 292 R N -1.893 118.592 120.500 -0.024 0.000 2.517 292 R HA 0.172 4.512 4.340 0.001 0.000 0.265 292 R C 1.749 178.042 176.300 -0.013 0.000 0.921 292 R CA 0.014 56.056 56.100 -0.097 0.000 1.054 292 R CB 0.344 30.617 30.300 -0.046 0.000 1.340 292 R HN 0.265 nan 8.270 nan 0.000 0.551 293 L N 0.715 121.947 121.223 0.015 0.000 1.961 293 L HA -0.029 4.311 4.340 0.001 0.000 0.209 293 L C 0.759 177.621 176.870 -0.012 0.000 1.075 293 L CA 1.356 56.198 54.840 0.003 0.000 0.749 293 L CB -0.184 41.869 42.059 -0.011 0.000 0.890 293 L HN 0.133 nan 8.230 nan 0.000 0.433 294 Q N 1.141 120.932 119.800 -0.015 0.000 2.421 294 Q HA 0.220 4.560 4.340 0.001 0.000 0.242 294 Q C -0.885 175.104 176.000 -0.020 0.000 1.024 294 Q CA -0.036 55.757 55.803 -0.017 0.000 0.891 294 Q CB 0.945 29.673 28.738 -0.016 0.000 1.222 294 Q HN 0.355 nan 8.270 nan 0.000 0.483 295 E N 1.469 121.657 120.200 -0.019 0.000 2.264 295 E HA 0.329 4.679 4.350 0.001 0.000 0.260 295 E C -0.851 175.745 176.600 -0.007 0.000 0.961 295 E CA -0.808 55.575 56.400 -0.027 0.000 0.834 295 E CB 1.519 31.191 29.700 -0.046 0.000 1.230 295 E HN 0.332 nan 8.360 nan 0.000 0.412 296 E N 1.439 121.634 120.200 -0.008 0.000 2.073 296 E HA 0.316 4.666 4.350 0.001 0.000 0.269 296 E C -0.649 175.958 176.600 0.011 0.000 0.917 296 E CA -0.176 56.231 56.400 0.011 0.000 0.757 296 E CB 0.909 30.613 29.700 0.007 0.000 1.111 296 E HN 0.277 nan 8.360 nan 0.000 0.410 297 I N 2.139 122.731 120.570 0.037 0.000 2.359 297 I HA 0.192 4.363 4.170 0.001 0.000 0.294 297 I C 0.176 176.297 176.117 0.006 0.000 0.987 297 I CA -0.538 60.776 61.300 0.022 0.000 1.225 297 I CB 1.742 39.770 38.000 0.047 0.000 1.366 297 I HN 0.288 nan 8.210 nan 0.000 0.466 298 T N 6.755 121.282 114.554 -0.045 0.000 2.781 298 T HA 0.320 4.670 4.350 0.001 0.000 0.305 298 T C -0.201 174.394 174.700 -0.175 0.000 1.001 298 T CA -0.535 61.512 62.100 -0.088 0.000 0.950 298 T CB 0.235 69.070 68.868 -0.056 0.000 0.955 298 T HN 0.425 nan 8.240 nan 0.000 0.471 299 K N 2.925 123.108 120.400 -0.362 0.000 2.259 299 K HA 0.331 4.652 4.320 0.001 0.000 0.252 299 K C -0.105 176.250 176.600 -0.408 0.000 0.936 299 K CA -0.825 55.191 56.287 -0.452 0.000 0.810 299 K CB 2.066 34.086 32.500 -0.801 0.000 1.143 299 K HN 0.507 nan 8.250 nan 0.000 0.427 300 Q N 1.347 121.002 119.800 -0.242 0.000 2.262 300 Q HA 0.033 4.374 4.340 0.001 0.000 0.272 300 Q C -0.460 175.436 176.000 -0.175 0.000 1.076 300 Q CA 0.201 55.907 55.803 -0.160 0.000 0.905 300 Q CB 0.920 29.601 28.738 -0.095 0.000 1.182 300 Q HN 0.325 nan 8.270 nan 0.000 0.390 301 S N 4.123 119.742 115.700 -0.136 0.000 2.422 301 S HA 0.305 4.775 4.470 0.001 0.000 0.308 301 S C -1.946 172.675 174.600 0.035 0.000 1.097 301 S CA -1.951 56.235 58.200 -0.022 0.000 1.099 301 S CB 0.974 64.240 63.200 0.110 0.000 0.976 301 S HN 0.353 nan 8.310 nan 0.000 0.471 302 P HA -0.098 nan 4.420 nan 0.000 0.214 302 P C 0.645 177.967 177.300 0.037 0.000 1.169 302 P CA 1.417 64.538 63.100 0.034 0.000 0.908 302 P CB -0.131 31.590 31.700 0.035 0.000 0.791 303 T N -0.798 113.787 114.554 0.051 0.000 3.802 303 T HA 0.172 4.522 4.350 0.001 0.000 0.243 303 T C 0.987 175.712 174.700 0.042 0.000 0.934 303 T CA 0.629 62.753 62.100 0.039 0.000 0.931 303 T CB -0.877 68.012 68.868 0.035 0.000 1.167 303 T HN 0.045 nan 8.240 nan 0.000 0.655 304 L N -1.178 120.069 121.223 0.039 0.000 1.835 304 L HA 0.093 4.434 4.340 0.001 0.000 0.207 304 L C -0.403 176.480 176.870 0.021 0.000 1.220 304 L CA -0.341 54.520 54.840 0.035 0.000 1.307 304 L CB 0.160 42.253 42.059 0.056 0.000 2.618 304 L HN 0.076 nan 8.230 nan 0.000 0.514 305 Q N 2.307 122.118 119.800 0.017 0.000 2.444 305 Q HA -0.156 4.184 4.340 0.001 0.000 0.343 305 Q C -0.707 175.290 176.000 -0.006 0.000 1.458 305 Q CA 1.078 56.883 55.803 0.002 0.000 0.903 305 Q CB -1.112 27.628 28.738 0.003 0.000 1.127 305 Q HN 0.688 nan 8.270 nan 0.000 0.344 306 R N -1.055 119.434 120.500 -0.017 0.000 3.429 306 R HA 0.171 4.512 4.340 0.001 0.000 0.277 306 R C -1.622 174.649 176.300 -0.049 0.000 0.978 306 R CA -0.872 55.213 56.100 -0.025 0.000 0.891 306 R CB 0.226 30.519 30.300 -0.011 0.000 1.299 306 R HN 0.174 nan 8.270 nan 0.000 0.541 307 N N 0.702 119.365 118.700 -0.062 0.000 2.431 307 N HA 0.308 5.048 4.740 0.001 0.000 0.265 307 N C -0.500 174.967 175.510 -0.071 0.000 1.184 307 N CA 0.388 53.378 53.050 -0.099 0.000 0.943 307 N CB 1.446 39.882 38.487 -0.086 0.000 1.080 307 N HN 0.579 nan 8.380 nan 0.000 0.477 308 A N 2.660 125.426 122.820 -0.090 0.000 2.309 308 A HA 0.438 4.759 4.320 0.001 0.000 0.317 308 A C 0.213 177.836 177.584 0.064 0.000 1.134 308 A CA -0.735 51.314 52.037 0.020 0.000 0.866 308 A CB 0.813 19.886 19.000 0.122 0.000 1.329 308 A HN 0.669 nan 8.150 nan 0.000 0.477 309 L N 2.107 123.402 121.223 0.119 0.000 2.415 309 L HA 0.126 4.466 4.340 0.001 0.000 0.269 309 L C -1.009 176.005 176.870 0.240 0.000 1.244 309 L CA -0.088 54.828 54.840 0.126 0.000 1.113 309 L CB -0.848 41.254 42.059 0.073 0.000 1.352 309 L HN 0.590 nan 8.230 nan 0.000 0.433 310 Y N 2.932 123.225 120.300 -0.011 0.000 2.307 310 Y HA 0.440 4.991 4.550 0.001 0.000 0.324 310 Y C 0.523 176.415 175.900 -0.014 0.000 1.238 310 Y CA -0.835 57.258 58.100 -0.012 0.000 1.280 310 Y CB 1.096 39.549 38.460 -0.011 0.000 1.248 310 Y HN 0.240 nan 8.280 nan 0.000 0.508 311 I N 2.624 123.240 120.570 0.077 0.000 2.582 311 I HA 0.333 4.503 4.170 0.001 0.000 0.292 311 I C -1.007 175.118 176.117 0.014 0.000 1.066 311 I CA -1.209 60.111 61.300 0.033 0.000 1.053 311 I CB 2.398 40.398 38.000 -0.001 0.000 1.241 311 I HN 0.489 nan 8.210 nan 0.000 0.421 312 K N 3.142 123.552 120.400 0.016 0.000 2.156 312 K HA 0.672 4.992 4.320 0.001 0.000 0.254 312 K C -0.800 175.794 176.600 -0.011 0.000 0.950 312 K CA -0.603 55.689 56.287 0.009 0.000 0.849 312 K CB 2.168 34.684 32.500 0.026 0.000 1.100 312 K HN 0.366 nan 8.250 nan 0.000 0.434 313 S N 1.498 117.184 115.700 -0.022 0.000 2.640 313 S HA 0.362 4.833 4.470 0.001 0.000 0.320 313 S C -1.305 173.258 174.600 -0.060 0.000 1.097 313 S CA -0.636 57.538 58.200 -0.044 0.000 1.092 313 S CB 0.694 63.863 63.200 -0.051 0.000 0.988 313 S HN 0.600 nan 8.310 nan 0.000 0.470 314 S N 4.392 120.039 115.700 -0.088 0.000 2.473 314 S HA 0.587 5.057 4.470 0.001 0.000 0.307 314 S C -0.829 173.580 174.600 -0.317 0.000 1.094 314 S CA -0.860 57.234 58.200 -0.176 0.000 1.070 314 S CB 1.351 64.497 63.200 -0.091 0.000 1.019 314 S HN 0.646 nan 8.310 nan 0.000 0.480 315 K N 1.644 121.783 120.400 -0.436 0.000 2.464 315 K HA 0.462 4.783 4.320 0.001 0.000 0.253 315 K C -0.891 175.345 176.600 -0.608 0.000 0.933 315 K CA -0.696 55.335 56.287 -0.427 0.000 0.801 315 K CB 2.037 34.387 32.500 -0.250 0.000 1.271 315 K HN 0.528 nan 8.250 nan 0.000 0.430 316 I N 2.725 122.981 120.570 -0.522 0.000 2.705 316 I HA -0.141 4.029 4.170 0.001 0.000 0.291 316 I C 1.676 177.703 176.117 -0.150 0.000 1.146 316 I CA 0.336 61.411 61.300 -0.375 0.000 1.383 316 I CB 0.367 38.279 38.000 -0.147 0.000 1.454 316 I HN 0.756 nan 8.210 nan 0.000 0.581 317 S N 6.294 121.954 115.700 -0.067 0.000 2.368 317 S HA -0.112 4.358 4.470 0.001 0.000 0.226 317 S C 0.978 175.580 174.600 0.003 0.000 1.044 317 S CA 1.530 59.727 58.200 -0.005 0.000 1.062 317 S CB 0.187 63.427 63.200 0.067 0.000 0.931 317 S HN 0.639 nan 8.310 nan 0.000 0.440 318 R N -0.725 119.800 120.500 0.042 0.000 2.707 318 R HA 0.510 4.850 4.340 0.001 0.000 0.272 318 R C -1.469 174.853 176.300 0.036 0.000 1.011 318 R CA -0.671 55.438 56.100 0.014 0.000 0.893 318 R CB 1.399 31.702 30.300 0.004 0.000 1.233 318 R HN 0.202 nan 8.270 nan 0.000 0.464 319 L N 2.569 123.792 121.223 -0.000 0.000 2.334 319 L HA 0.559 4.899 4.340 0.001 0.000 0.275 319 L C -2.286 174.606 176.870 0.038 0.000 1.036 319 L CA -2.143 52.716 54.840 0.032 0.000 0.807 319 L CB 2.037 44.080 42.059 -0.026 0.000 1.231 319 L HN 0.259 nan 8.230 nan 0.000 0.438 320 P HA 0.210 nan 4.420 nan 0.000 0.286 320 P C -0.050 177.273 177.300 0.039 0.000 1.261 320 P CA -0.431 62.697 63.100 0.045 0.000 0.821 320 P CB 1.297 33.051 31.700 0.091 0.000 1.013 321 A N 1.958 124.689 122.820 -0.150 0.000 1.940 321 A HA -0.124 4.196 4.320 0.001 0.000 0.219 321 A C 0.148 177.497 177.584 -0.393 0.000 1.176 321 A CA 1.580 53.444 52.037 -0.289 0.000 0.631 321 A CB -1.187 17.515 19.000 -0.497 0.000 0.814 321 A HN 0.620 nan 8.150 nan 0.000 0.446 322 Y N -1.767 118.440 120.300 -0.155 0.000 2.331 322 Y HA 0.580 5.130 4.550 0.001 0.000 0.334 322 Y C -0.560 175.245 175.900 -0.159 0.000 0.960 322 Y CA -0.840 57.117 58.100 -0.238 0.000 1.130 322 Y CB 1.606 39.843 38.460 -0.372 0.000 1.164 322 Y HN 0.122 nan 8.280 nan 0.000 0.458 323 L N 4.016 125.203 121.223 -0.060 0.000 2.305 323 L HA 0.555 4.895 4.340 0.001 0.000 0.284 323 L C -0.415 176.507 176.870 0.086 0.000 1.013 323 L CA -0.195 54.671 54.840 0.043 0.000 0.819 323 L CB 1.237 43.318 42.059 0.035 0.000 1.227 323 L HN 0.617 nan 8.230 nan 0.000 0.417 324 T N 5.673 120.272 114.554 0.076 0.000 2.747 324 T HA 0.462 4.813 4.350 0.001 0.000 0.301 324 T C 0.147 174.752 174.700 -0.157 0.000 0.952 324 T CA -0.098 61.937 62.100 -0.108 0.000 0.983 324 T CB -0.088 68.616 68.868 -0.273 0.000 0.930 324 T HN 0.359 nan 8.240 nan 0.000 0.494 325 I N 3.408 123.893 120.570 -0.143 0.000 2.307 325 I HA 0.213 4.383 4.170 0.001 0.000 0.289 325 I C 0.764 176.708 176.117 -0.288 0.000 1.021 325 I CA -0.620 60.592 61.300 -0.148 0.000 1.224 325 I CB 1.294 39.278 38.000 -0.026 0.000 1.376 325 I HN 0.593 nan 8.210 nan 0.000 0.470 326 Q N 7.425 127.021 119.800 -0.341 0.000 2.534 326 Q HA 0.198 4.539 4.340 0.001 0.000 0.223 326 Q C -0.234 175.455 176.000 -0.519 0.000 1.239 326 Q CA -0.670 54.854 55.803 -0.464 0.000 0.936 326 Q CB 0.455 28.939 28.738 -0.424 0.000 1.457 326 Q HN 0.604 nan 8.270 nan 0.000 0.547 327 M N 3.787 123.063 119.600 -0.540 0.000 2.921 327 M HA -0.011 4.469 4.480 0.001 0.000 0.319 327 M C -0.798 175.126 176.300 -0.627 0.000 1.710 327 M CA 0.218 55.209 55.300 -0.514 0.000 1.471 327 M CB 0.232 32.569 32.600 -0.439 0.000 1.832 327 M HN 0.289 nan 8.290 nan 0.000 0.467 328 V N 5.635 125.185 119.914 -0.608 0.000 2.415 328 V HA -0.063 4.057 4.120 0.001 0.000 0.252 328 V C 0.521 176.225 176.094 -0.651 0.000 1.043 328 V CA 0.476 62.418 62.300 -0.596 0.000 1.149 328 V CB -0.867 30.593 31.823 -0.605 0.000 1.143 328 V HN 0.554 nan 8.190 nan 0.000 0.478 329 R N 5.063 124.987 120.500 -0.960 0.000 2.755 329 R HA 0.485 4.825 4.340 0.001 0.000 0.268 329 R C -1.244 174.452 176.300 -1.008 0.000 1.295 329 R CA 0.033 55.655 56.100 -0.796 0.000 1.379 329 R CB 0.272 30.280 30.300 -0.487 0.000 1.170 329 R HN 0.517 nan 8.270 nan 0.000 0.584 330 F N 2.067 121.935 119.950 -0.136 0.000 2.716 330 F HA 0.329 4.857 4.527 0.001 0.000 0.354 330 F C -0.713 175.083 175.800 -0.007 0.000 1.168 330 F CA -1.026 56.959 58.000 -0.026 0.000 1.045 330 F CB 0.819 39.828 39.000 0.014 0.000 1.311 330 F HN 0.169 nan 8.300 nan 0.000 0.477 331 F N 3.545 123.630 119.950 0.224 0.000 2.308 331 F HA 0.334 4.862 4.527 0.001 0.000 0.370 331 F C -0.696 175.228 175.800 0.206 0.000 1.100 331 F CA -1.407 56.703 58.000 0.183 0.000 1.108 331 F CB 0.585 39.648 39.000 0.106 0.000 1.293 331 F HN 0.306 nan 8.300 nan 0.000 0.478 332 Y N 5.434 125.922 120.300 0.312 0.000 2.328 332 Y HA 0.527 5.078 4.550 0.001 0.000 0.337 332 Y C -0.425 175.567 175.900 0.153 0.000 0.966 332 Y CA -0.778 57.436 58.100 0.189 0.000 1.136 332 Y CB 0.561 39.103 38.460 0.137 0.000 1.170 332 Y HN 0.430 nan 8.280 nan 0.000 0.470 333 K N 2.601 123.219 120.400 0.364 0.000 1.956 333 K HA 0.227 4.548 4.320 0.001 0.000 0.245 333 K C -1.079 175.660 176.600 0.230 0.000 1.015 333 K CA -1.013 55.442 56.287 0.280 0.000 0.864 333 K CB 1.325 33.897 32.500 0.120 0.000 1.570 333 K HN 0.709 nan 8.250 nan 0.000 0.577 334 E N 1.930 122.210 120.200 0.134 0.000 1.944 334 E HA 0.068 4.418 4.350 0.001 0.000 0.272 334 E C -1.117 175.517 176.600 0.055 0.000 1.195 334 E CA 0.531 56.994 56.400 0.104 0.000 0.926 334 E CB -0.003 29.740 29.700 0.072 0.000 1.051 334 E HN 0.317 nan 8.360 nan 0.000 0.404 335 K N 2.714 123.145 120.400 0.053 0.000 3.035 335 K HA 0.019 4.339 4.320 0.001 0.000 0.330 335 K C -2.031 174.560 176.600 -0.016 0.000 1.164 335 K CA -0.650 55.642 56.287 0.009 0.000 0.919 335 K CB 1.040 33.527 32.500 -0.020 0.000 1.368 335 K HN 0.468 nan 8.250 nan 0.000 0.385 336 E N 2.280 122.475 120.200 -0.009 0.000 2.281 336 E HA 0.485 4.835 4.350 0.001 0.000 0.266 336 E C -1.385 175.206 176.600 -0.014 0.000 0.893 336 E CA -0.084 56.310 56.400 -0.011 0.000 0.798 336 E CB 1.950 31.699 29.700 0.081 0.000 1.245 336 E HN 0.642 nan 8.360 nan 0.000 0.410 337 S N 2.562 118.233 115.700 -0.048 0.000 7.294 337 S HA -0.009 4.461 4.470 0.001 0.000 0.049 337 S C -0.948 173.628 174.600 -0.039 0.000 1.511 337 S CA 0.330 58.517 58.200 -0.021 0.000 0.982 337 S CB -0.595 62.599 63.200 -0.010 0.000 1.021 337 S HN 0.319 nan 8.310 nan 0.000 0.542 338 V N 4.808 124.696 119.914 -0.043 0.000 2.599 338 V HA 0.287 4.407 4.120 0.001 0.000 0.300 338 V C 0.444 176.492 176.094 -0.078 0.000 1.034 338 V CA -0.071 62.208 62.300 -0.035 0.000 1.115 338 V CB 0.154 31.964 31.823 -0.021 0.000 0.934 338 V HN 0.472 nan 8.190 nan 0.000 0.485 339 N N 2.053 120.727 118.700 -0.042 0.000 2.408 339 N HA 0.671 5.411 4.740 0.001 0.000 0.260 339 N C -0.153 175.357 175.510 0.000 0.000 1.242 339 N CA -0.077 52.945 53.050 -0.047 0.000 0.959 339 N CB 1.741 40.248 38.487 0.034 0.000 1.201 339 N HN 0.869 nan 8.380 nan 0.000 0.511 340 A N 0.330 123.178 122.820 0.047 0.000 2.380 340 A HA 0.537 4.857 4.320 0.001 0.000 0.315 340 A C -0.430 177.258 177.584 0.173 0.000 1.101 340 A CA -0.624 51.475 52.037 0.102 0.000 0.771 340 A CB 1.475 20.541 19.000 0.110 0.000 1.287 340 A HN 0.608 nan 8.150 nan 0.000 0.436 341 K N 0.870 121.343 120.400 0.121 0.000 2.259 341 K HA 0.615 4.935 4.320 0.001 0.000 0.249 341 K C -1.359 175.283 176.600 0.070 0.000 0.942 341 K CA -0.575 55.743 56.287 0.051 0.000 0.816 341 K CB 1.870 34.356 32.500 -0.023 0.000 1.155 341 K HN 0.379 nan 8.250 nan 0.000 0.428 342 V N 6.260 126.153 119.914 -0.036 0.000 2.222 342 V HA 0.101 4.221 4.120 0.001 0.000 0.253 342 V C 0.323 176.420 176.094 0.005 0.000 1.210 342 V CA -0.381 61.939 62.300 0.035 0.000 1.079 342 V CB -0.289 31.401 31.823 -0.222 0.000 1.265 342 V HN 0.596 nan 8.190 nan 0.000 0.494 343 L N 1.518 122.778 121.223 0.063 0.000 2.934 343 L HA 0.534 4.875 4.340 0.001 0.000 0.233 343 L C 0.266 177.173 176.870 0.063 0.000 1.358 343 L CA -0.071 54.797 54.840 0.046 0.000 1.233 343 L CB -0.499 41.595 42.059 0.059 0.000 1.594 343 L HN 0.290 nan 8.230 nan 0.000 0.439 344 K N -0.163 120.275 120.400 0.063 0.000 2.185 344 K HA 0.300 4.620 4.320 0.001 0.000 0.240 344 K C -0.451 176.175 176.600 0.043 0.000 0.983 344 K CA -0.965 55.363 56.287 0.068 0.000 0.873 344 K CB 1.355 33.915 32.500 0.100 0.000 1.118 344 K HN 0.140 nan 8.250 nan 0.000 0.441 345 D N 1.592 122.017 120.400 0.042 0.000 2.488 345 D HA 0.039 4.679 4.640 0.001 0.000 0.238 345 D C -0.866 175.434 176.300 -0.001 0.000 1.138 345 D CA 0.189 54.203 54.000 0.023 0.000 0.873 345 D CB 0.710 41.517 40.800 0.012 0.000 1.183 345 D HN 0.271 nan 8.370 nan 0.000 0.458 346 V N 1.265 121.176 119.914 -0.006 0.000 2.670 346 V HA 0.296 4.416 4.120 0.001 0.000 0.258 346 V C 0.321 176.446 176.094 0.051 0.000 0.906 346 V CA -1.169 61.119 62.300 -0.020 0.000 0.887 346 V CB 0.333 32.134 31.823 -0.036 0.000 1.059 346 V HN 0.348 nan 8.190 nan 0.000 0.484 347 K N 2.865 123.212 120.400 -0.087 0.000 2.455 347 K HA 0.432 4.752 4.320 0.001 0.000 0.269 347 K C -0.481 176.276 176.600 0.261 0.000 0.972 347 K CA 0.591 56.872 56.287 -0.011 0.000 0.938 347 K CB 0.387 32.648 32.500 -0.398 0.000 0.931 347 K HN 0.749 nan 8.250 nan 0.000 0.507 348 F N -1.105 118.818 119.950 -0.045 0.000 2.613 348 F HA 0.512 5.039 4.527 0.001 0.000 0.310 348 F C -2.796 173.067 175.800 0.105 0.000 1.085 348 F CA -3.732 54.307 58.000 0.065 0.000 0.945 348 F CB -0.298 38.762 39.000 0.099 0.000 1.298 348 F HN 0.288 nan 8.300 nan 0.000 0.455 349 P HA 0.386 nan 4.420 nan 0.000 0.272 349 P C 0.217 177.653 177.300 0.226 0.000 1.230 349 P CA -0.384 62.827 63.100 0.184 0.000 0.788 349 P CB 1.136 32.930 31.700 0.157 0.000 0.949 350 L N -0.402 120.909 121.223 0.146 0.000 2.470 350 L HA 0.260 4.601 4.340 0.001 0.000 0.219 350 L C 0.869 177.911 176.870 0.287 0.000 1.071 350 L CA 0.683 55.623 54.840 0.167 0.000 0.850 350 L CB -0.017 42.056 42.059 0.023 0.000 1.040 350 L HN 0.308 nan 8.230 nan 0.000 0.475 351 M N 0.762 120.493 119.600 0.218 0.000 2.142 351 M HA 0.335 4.816 4.480 0.001 0.000 0.299 351 M C -1.262 175.142 176.300 0.174 0.000 0.960 351 M CA -0.559 54.871 55.300 0.217 0.000 0.920 351 M CB 2.824 35.519 32.600 0.158 0.000 1.541 351 M HN -0.107 nan 8.290 nan 0.000 0.429 352 L N 2.798 124.105 121.223 0.139 0.000 2.399 352 L HA 0.589 4.929 4.340 0.001 0.000 0.265 352 L C -0.688 176.246 176.870 0.107 0.000 1.089 352 L CA 0.344 55.193 54.840 0.014 0.000 0.802 352 L CB 1.157 43.063 42.059 -0.256 0.000 1.180 352 L HN 0.572 nan 8.230 nan 0.000 0.454 353 D N 3.291 123.719 120.400 0.046 0.000 2.386 353 D HA 0.237 4.877 4.640 0.001 0.000 0.247 353 D C -0.587 175.687 176.300 -0.044 0.000 1.336 353 D CA -0.247 53.749 54.000 -0.006 0.000 0.976 353 D CB 0.844 41.724 40.800 0.133 0.000 1.257 353 D HN 0.359 nan 8.370 nan 0.000 0.570 354 M N 3.686 123.174 119.600 -0.187 0.000 2.738 354 M HA 0.069 4.549 4.480 0.001 0.000 0.295 354 M C 0.368 176.623 176.300 -0.075 0.000 1.266 354 M CA -0.340 54.865 55.300 -0.158 0.000 0.985 354 M CB -0.658 31.802 32.600 -0.233 0.000 1.365 354 M HN 0.462 nan 8.290 nan 0.000 0.492 355 Y N 2.555 122.750 120.300 -0.175 0.000 2.114 355 Y HA -0.071 4.480 4.550 0.001 0.000 0.284 355 Y C 1.496 177.357 175.900 -0.065 0.000 1.119 355 Y CA 1.713 59.721 58.100 -0.154 0.000 1.108 355 Y CB 0.122 38.485 38.460 -0.162 0.000 0.995 355 Y HN 0.263 nan 8.280 nan 0.000 0.491 356 E N 0.719 120.903 120.200 -0.026 0.000 2.412 356 E HA -0.097 4.254 4.350 0.001 0.000 0.207 356 E C 0.434 177.026 176.600 -0.013 0.000 1.252 356 E CA 0.718 57.075 56.400 -0.071 0.000 1.004 356 E CB -0.680 29.058 29.700 0.063 0.000 1.027 356 E HN 0.514 nan 8.360 nan 0.000 0.517 357 L N -1.036 120.130 121.223 -0.096 0.000 3.521 357 L HA 0.111 4.451 4.340 0.001 0.000 0.323 357 L C 0.122 176.889 176.870 -0.173 0.000 1.268 357 L CA -0.095 54.688 54.840 -0.096 0.000 1.064 357 L CB 0.560 42.567 42.059 -0.088 0.000 1.455 357 L HN 0.139 nan 8.230 nan 0.000 0.622 358 C N -2.199 116.976 119.300 -0.209 0.000 3.002 358 C HA 0.634 5.094 4.460 0.001 0.000 0.298 358 C C 0.890 175.760 174.990 -0.199 0.000 3.043 358 C CA -0.587 58.308 59.018 -0.204 0.000 1.888 358 C CB 0.684 28.326 27.740 -0.164 0.000 3.007 358 C HN 0.142 nan 8.230 nan 0.000 0.425 359 T N 2.148 116.605 114.554 -0.162 0.000 2.909 359 T HA 0.282 4.633 4.350 0.001 0.000 0.286 359 T C -1.903 172.722 174.700 -0.125 0.000 1.002 359 T CA -0.296 61.725 62.100 -0.132 0.000 1.074 359 T CB 1.200 70.010 68.868 -0.097 0.000 0.984 359 T HN 0.445 nan 8.240 nan 0.000 0.495 360 P HA -0.085 nan 4.420 nan 0.000 0.215 360 P C 1.246 178.514 177.300 -0.054 0.000 1.153 360 P CA 1.071 64.117 63.100 -0.091 0.000 0.853 360 P CB 0.258 31.915 31.700 -0.071 0.000 0.788 361 E N -0.256 119.917 120.200 -0.044 0.000 2.012 361 E HA -0.198 4.152 4.350 0.001 0.000 0.197 361 E C 2.063 178.655 176.600 -0.013 0.000 1.007 361 E CA 0.972 57.358 56.400 -0.023 0.000 0.816 361 E CB -1.068 28.617 29.700 -0.025 0.000 0.762 361 E HN 0.152 nan 8.360 nan 0.000 0.451 362 L N 1.258 122.465 121.223 -0.027 0.000 1.997 362 L HA -0.340 4.001 4.340 0.001 0.000 0.216 362 L C 2.327 179.209 176.870 0.020 0.000 1.074 362 L CA 1.714 56.543 54.840 -0.020 0.000 0.763 362 L CB -0.279 41.753 42.059 -0.045 0.000 0.890 362 L HN 0.213 nan 8.230 nan 0.000 0.434 363 Q N -0.481 119.331 119.800 0.020 0.000 2.449 363 Q HA -0.248 4.093 4.340 0.001 0.000 0.214 363 Q C 1.832 177.959 176.000 0.212 0.000 0.986 363 Q CA 1.608 57.515 55.803 0.174 0.000 0.893 363 Q CB -0.142 28.567 28.738 -0.049 0.000 0.940 363 Q HN 0.698 nan 8.270 nan 0.000 0.477 364 E N 0.757 121.015 120.200 0.097 0.000 2.060 364 E HA -0.082 4.269 4.350 0.001 0.000 0.189 364 E C 1.783 178.432 176.600 0.082 0.000 0.974 364 E CA 0.443 56.891 56.400 0.080 0.000 0.808 364 E CB 0.118 29.845 29.700 0.045 0.000 0.768 364 E HN 0.265 nan 8.360 nan 0.000 0.453 365 K N 0.659 121.099 120.400 0.067 0.000 2.044 365 K HA -0.126 4.194 4.320 0.001 0.000 0.210 365 K C 2.055 178.734 176.600 0.131 0.000 1.049 365 K CA 1.482 57.817 56.287 0.080 0.000 0.927 365 K CB -0.163 32.344 32.500 0.013 0.000 0.713 365 K HN 0.140 nan 8.250 nan 0.000 0.443 366 M N 0.710 120.357 119.600 0.078 0.000 2.632 366 M HA -0.099 4.382 4.480 0.001 0.000 0.256 366 M C 1.875 178.218 176.300 0.072 0.000 1.080 366 M CA 0.636 55.976 55.300 0.066 0.000 1.084 366 M CB -0.017 32.576 32.600 -0.011 0.000 1.439 366 M HN -0.039 nan 8.290 nan 0.000 0.509 367 V N -0.582 119.378 119.914 0.076 0.000 2.323 367 V HA -0.199 3.922 4.120 0.001 0.000 0.244 367 V C 2.277 178.381 176.094 0.017 0.000 1.041 367 V CA 1.920 64.232 62.300 0.020 0.000 1.025 367 V CB -0.534 31.309 31.823 0.033 0.000 0.656 367 V HN 0.419 nan 8.190 nan 0.000 0.451 368 S N -0.108 115.639 115.700 0.079 0.000 2.370 368 S HA -0.143 4.327 4.470 0.001 0.000 0.226 368 S C 1.678 176.180 174.600 -0.163 0.000 1.033 368 S CA 1.867 60.045 58.200 -0.037 0.000 1.011 368 S CB -0.332 62.895 63.200 0.045 0.000 0.852 368 S HN 0.520 nan 8.310 nan 0.000 0.457 369 F N 0.719 120.675 119.950 0.010 0.000 2.202 369 F HA 0.304 4.831 4.527 0.001 0.000 0.279 369 F C 2.496 178.357 175.800 0.101 0.000 1.077 369 F CA 0.286 58.387 58.000 0.167 0.000 1.193 369 F CB -0.940 38.190 39.000 0.217 0.000 1.090 369 F HN -0.087 nan 8.300 nan 0.000 0.516 370 R N 0.217 120.880 120.500 0.273 0.000 2.154 370 R HA -0.156 4.184 4.340 0.001 0.000 0.248 370 R C 1.891 178.227 176.300 0.059 0.000 1.155 370 R CA 1.964 58.157 56.100 0.156 0.000 0.979 370 R CB -0.295 29.927 30.300 -0.131 0.000 0.869 370 R HN 0.216 nan 8.270 nan 0.000 0.452 371 S N -0.790 114.895 115.700 -0.025 0.000 2.441 371 S HA 0.064 4.535 4.470 0.001 0.000 0.224 371 S C 1.534 176.054 174.600 -0.135 0.000 1.043 371 S CA 0.408 58.562 58.200 -0.077 0.000 0.948 371 S CB 0.199 63.345 63.200 -0.090 0.000 0.810 371 S HN 0.269 nan 8.310 nan 0.000 0.504 372 K N -0.162 120.081 120.400 -0.263 0.000 2.262 372 K HA 0.177 4.497 4.320 0.001 0.000 0.200 372 K C 0.245 176.485 176.600 -0.600 0.000 1.049 372 K CA 0.687 56.671 56.287 -0.504 0.000 0.979 372 K CB 0.100 32.129 32.500 -0.785 0.000 0.773 372 K HN 0.243 nan 8.250 nan 0.000 0.474 373 F N 0.328 120.253 119.950 -0.042 0.000 2.678 373 F HA 0.235 4.762 4.527 0.001 0.000 0.305 373 F C 1.607 177.404 175.800 -0.004 0.000 1.090 373 F CA -0.065 57.919 58.000 -0.026 0.000 1.272 373 F CB 0.369 39.359 39.000 -0.017 0.000 1.060 373 F HN -0.138 nan 8.300 nan 0.000 0.576 374 K N 0.548 121.020 120.400 0.119 0.000 2.296 374 K HA -0.100 4.220 4.320 0.001 0.000 0.200 374 K C 1.243 177.853 176.600 0.016 0.000 1.048 374 K CA 1.197 57.516 56.287 0.054 0.000 0.966 374 K CB 0.028 32.563 32.500 0.059 0.000 0.754 374 K HN 0.092 nan 8.250 nan 0.000 0.466 375 D N 1.334 121.743 120.400 0.015 0.000 2.084 375 D HA -0.124 4.516 4.640 0.001 0.000 0.196 375 D C 0.608 176.920 176.300 0.020 0.000 0.985 375 D CA 0.796 54.798 54.000 0.002 0.000 0.826 375 D CB -0.126 40.662 40.800 -0.020 0.000 0.978 375 D HN 0.211 nan 8.370 nan 0.000 0.456 376 L N 1.657 122.913 121.223 0.056 0.000 2.827 376 L HA -0.073 4.268 4.340 0.001 0.000 0.293 376 L C 1.389 178.276 176.870 0.029 0.000 1.156 376 L CA 0.523 55.396 54.840 0.056 0.000 1.145 376 L CB -0.171 41.948 42.059 0.101 0.000 1.474 376 L HN 0.117 nan 8.230 nan 0.000 0.442 377 E N 0.092 120.300 120.200 0.013 0.000 3.566 377 E HA 0.070 4.420 4.350 0.001 0.000 0.241 377 E C -0.057 176.544 176.600 0.002 0.000 1.208 377 E CA -0.292 56.108 56.400 0.001 0.000 1.773 377 E CB 0.733 30.425 29.700 -0.012 0.000 1.818 377 E HN 0.523 nan 8.360 nan 0.000 0.865 398 V N -0.028 119.895 119.914 0.015 0.000 2.656 398 V HA 0.961 5.082 4.120 0.001 0.000 0.307 398 V C -0.236 175.867 176.094 0.015 0.000 1.051 398 V CA -0.137 62.171 62.300 0.014 0.000 0.893 398 V CB 1.095 32.926 31.823 0.014 0.000 0.999 398 V HN 1.304 nan 8.190 nan 0.000 0.426 399 K N 1.889 122.297 120.400 0.013 0.000 2.578 399 K HA 0.723 5.044 4.320 0.001 0.000 0.250 399 K C -0.569 176.035 176.600 0.006 0.000 0.955 399 K CA 0.149 56.444 56.287 0.013 0.000 0.825 399 K CB 1.021 33.530 32.500 0.016 0.000 1.151 399 K HN 2.315 nan 8.250 nan 0.000 0.432 400 Y N -0.818 119.483 120.300 0.003 0.000 2.696 400 Y HA 0.695 5.245 4.550 0.001 0.000 0.260 400 Y C 0.482 176.369 175.900 -0.022 0.000 1.165 400 Y CA 1.320 59.416 58.100 -0.007 0.000 1.189 400 Y CB -0.589 37.868 38.460 -0.005 0.000 1.180 400 Y HN 1.402 nan 8.280 nan 0.000 0.538 401 E N -1.007 119.180 120.200 -0.022 0.000 2.164 401 E HA 0.821 5.171 4.350 0.001 0.000 0.240 401 E C -2.859 173.721 176.600 -0.033 0.000 1.335 401 E CA -0.355 56.018 56.400 -0.046 0.000 0.935 401 E CB 0.362 30.025 29.700 -0.061 0.000 1.711 401 E HN 1.299 nan 8.360 nan 0.000 0.510 402 P HA 1.148 nan 4.420 nan 0.000 0.312 402 P C -0.885 176.412 177.300 -0.005 0.000 1.326 402 P CA 0.385 63.474 63.100 -0.018 0.000 1.203 402 P CB 1.043 32.733 31.700 -0.017 0.000 1.832 403 F N -2.272 117.688 119.950 0.017 0.000 3.569 403 F HA 0.833 5.361 4.527 0.001 0.000 0.328 403 F C 1.023 176.796 175.800 -0.046 0.000 1.077 403 F CA 0.382 58.392 58.000 0.017 0.000 0.832 403 F CB 0.068 39.079 39.000 0.018 0.000 1.588 403 F HN 2.094 nan 8.300 nan 0.000 0.482 404 S N -1.126 114.523 115.700 -0.085 0.000 3.790 404 S HA 0.467 4.937 4.470 0.001 0.000 0.628 404 S C 1.000 175.458 174.600 -0.237 0.000 2.348 404 S CA 1.574 59.681 58.200 -0.154 0.000 3.927 404 S CB -2.148 60.955 63.200 -0.162 0.000 0.236 404 S HN 2.791 nan 8.310 nan 0.000 0.953 405 F N 0.188 119.999 119.950 -0.233 0.000 2.427 405 F HA 0.858 5.386 4.527 0.001 0.000 0.346 405 F C 0.873 176.577 175.800 -0.160 0.000 1.120 405 F CA 0.208 58.063 58.000 -0.240 0.000 1.033 405 F CB 0.999 39.865 39.000 -0.223 0.000 1.126 405 F HN 1.903 nan 8.300 nan 0.000 0.462 406 A N 2.088 124.838 122.820 -0.117 0.000 2.606 406 A HA 0.531 4.852 4.320 0.001 0.000 0.290 406 A C 0.457 178.040 177.584 -0.002 0.000 1.174 406 A CA 0.707 52.729 52.037 -0.025 0.000 0.958 406 A CB -1.308 17.725 19.000 0.055 0.000 1.194 406 A HN 1.443 nan 8.150 nan 0.000 0.526 407 D N -0.558 119.822 120.400 -0.034 0.000 2.414 407 D HA 0.410 5.051 4.640 0.001 0.000 0.251 407 D C 0.399 176.693 176.300 -0.010 0.000 1.252 407 D CA 0.206 54.199 54.000 -0.012 0.000 0.999 407 D CB 0.185 40.966 40.800 -0.030 0.000 1.093 407 D HN 0.533 nan 8.370 nan 0.000 0.515 408 D N -1.752 118.647 120.400 -0.001 0.000 3.134 408 D HA 0.522 5.163 4.640 0.001 0.000 0.248 408 D C 0.727 177.023 176.300 -0.007 0.000 1.273 408 D CA 0.881 54.881 54.000 0.000 0.000 0.904 408 D CB -0.556 40.249 40.800 0.008 0.000 1.089 408 D HN 1.548 nan 8.370 nan 0.000 0.478 409 I N -2.023 118.536 120.570 -0.019 0.000 5.329 409 I HA 0.575 4.745 4.170 0.001 0.000 0.325 409 I C 1.179 177.273 176.117 -0.038 0.000 1.054 409 I CA 0.422 61.709 61.300 -0.021 0.000 1.623 409 I CB -0.059 37.932 38.000 -0.016 0.000 2.122 409 I HN 0.699 nan 8.210 nan 0.000 0.689 410 G N 0.813 109.577 108.800 -0.061 0.000 2.609 410 G HA2 0.574 4.534 3.960 0.001 0.000 0.308 410 G HA3 0.574 4.534 3.960 0.001 0.000 0.308 410 G C -0.333 174.475 174.900 -0.153 0.000 1.369 410 G CA 0.375 45.418 45.100 -0.096 0.000 0.958 410 G HN 0.622 nan 8.290 nan 0.000 0.499 411 S N 2.810 118.373 115.700 -0.228 0.000 3.208 411 S HA 0.229 4.699 4.470 0.001 0.000 0.195 411 S C 0.645 174.917 174.600 -0.546 0.000 1.394 411 S CA -0.782 57.203 58.200 -0.359 0.000 1.127 411 S CB -0.186 62.784 63.200 -0.384 0.000 1.282 411 S HN 0.605 nan 8.310 nan 0.000 0.513 412 N N 2.506 120.997 118.700 -0.349 0.000 2.129 412 N HA 0.271 5.011 4.740 0.001 0.000 0.245 412 N C -0.110 175.254 175.510 -0.244 0.000 1.262 412 N CA -0.254 52.621 53.050 -0.292 0.000 0.910 412 N CB 0.069 38.458 38.487 -0.162 0.000 1.215 412 N HN 0.425 nan 8.380 nan 0.000 0.366 413 N N 0.075 118.681 118.700 -0.156 0.000 2.235 413 N HA 0.321 5.061 4.740 0.001 0.000 0.293 413 N C -1.866 173.532 175.510 -0.187 0.000 1.083 413 N CA -0.195 52.778 53.050 -0.129 0.000 0.801 413 N CB 1.554 40.059 38.487 0.030 0.000 1.559 413 N HN 0.333 nan 8.380 nan 0.000 0.472 414 C N 1.542 120.704 119.300 -0.230 0.000 2.609 414 C HA 0.923 5.383 4.460 0.001 0.000 0.313 414 C C 0.807 175.708 174.990 -0.148 0.000 1.175 414 C CA 0.704 59.548 59.018 -0.291 0.000 1.434 414 C CB 0.627 27.981 27.740 -0.644 0.000 2.005 414 C HN 1.074 nan 8.230 nan 0.000 0.471 415 G N 2.295 111.046 108.800 -0.081 0.000 2.601 415 G HA2 -0.056 3.904 3.960 0.001 0.000 0.224 415 G HA3 -0.056 3.904 3.960 0.001 0.000 0.224 415 G C -1.088 173.787 174.900 -0.041 0.000 1.171 415 G CA 0.148 45.322 45.100 0.124 0.000 1.009 415 G HN 0.578 nan 8.290 nan 0.000 0.589 416 Y N -0.953 119.306 120.300 -0.069 0.000 3.072 416 Y HA 0.841 5.391 4.550 0.001 0.000 0.314 416 Y C 0.253 176.145 175.900 -0.013 0.000 1.446 416 Y CA -1.262 56.777 58.100 -0.103 0.000 1.055 416 Y CB 0.482 38.941 38.460 -0.001 0.000 1.365 416 Y HN 0.615 nan 8.280 nan 0.000 0.657 417 Y N -0.699 119.737 120.300 0.225 0.000 2.534 417 Y HA 0.390 4.940 4.550 0.001 0.000 0.345 417 Y C -1.380 174.660 175.900 0.233 0.000 1.031 417 Y CA -1.217 56.986 58.100 0.172 0.000 1.022 417 Y CB 2.513 41.012 38.460 0.065 0.000 1.292 417 Y HN 0.386 nan 8.280 nan 0.000 0.459 418 D N 2.120 122.806 120.400 0.476 0.000 2.649 418 D HA 0.273 4.914 4.640 0.001 0.000 0.249 418 D C -1.124 175.487 176.300 0.519 0.000 1.112 418 D CA -0.546 53.712 54.000 0.429 0.000 0.850 418 D CB 2.101 43.080 40.800 0.298 0.000 1.399 418 D HN 0.221 nan 8.370 nan 0.000 0.503 419 L N 2.165 123.746 121.223 0.596 0.000 2.483 419 L HA 0.152 4.493 4.340 0.001 0.000 0.275 419 L C 0.726 177.783 176.870 0.313 0.000 1.220 419 L CA 1.243 56.254 54.840 0.286 0.000 0.833 419 L CB 0.646 42.875 42.059 0.282 0.000 1.102 419 L HN 0.624 nan 8.230 nan 0.000 0.490 420 Q N 1.902 121.796 119.800 0.156 0.000 2.006 420 Q HA 0.491 4.831 4.340 0.001 0.000 0.158 420 Q C -0.711 175.313 176.000 0.040 0.000 0.530 420 Q CA 0.116 55.949 55.803 0.050 0.000 0.784 420 Q CB 0.903 29.664 28.738 0.039 0.000 1.031 420 Q HN 0.796 nan 8.270 nan 0.000 0.368 421 A N 0.961 123.811 122.820 0.049 0.000 2.312 421 A HA 0.670 4.990 4.320 0.001 0.000 0.328 421 A C -0.631 177.047 177.584 0.156 0.000 1.158 421 A CA -0.369 51.722 52.037 0.091 0.000 0.821 421 A CB 1.284 20.322 19.000 0.064 0.000 1.170 421 A HN 0.190 nan 8.150 nan 0.000 0.490 422 V N 1.659 121.719 119.914 0.244 0.000 3.181 422 V HA 0.673 4.793 4.120 0.001 0.000 0.314 422 V C -0.698 175.553 176.094 0.261 0.000 1.173 422 V CA -0.751 61.670 62.300 0.203 0.000 1.052 422 V CB 1.969 33.894 31.823 0.170 0.000 1.123 422 V HN 0.821 nan 8.190 nan 0.000 0.454 423 L N 0.958 122.293 121.223 0.186 0.000 2.466 423 L HA 0.756 5.096 4.340 0.001 0.000 0.258 423 L C -1.180 175.767 176.870 0.129 0.000 0.973 423 L CA 0.020 54.970 54.840 0.185 0.000 0.826 423 L CB 2.368 44.535 42.059 0.181 0.000 1.372 423 L HN 0.851 nan 8.230 nan 0.000 0.409 424 T N 2.735 117.358 114.554 0.115 0.000 3.187 424 T HA 0.221 4.572 4.350 0.001 0.000 0.328 424 T C -0.928 173.857 174.700 0.143 0.000 0.951 424 T CA -0.344 61.830 62.100 0.123 0.000 1.049 424 T CB 0.286 69.293 68.868 0.232 0.000 1.015 424 T HN 0.517 nan 8.240 nan 0.000 0.461 425 H N 4.227 123.293 119.070 -0.006 0.000 2.820 425 H HA 0.380 4.936 4.556 0.001 0.000 0.278 425 H C 0.047 175.487 175.328 0.187 0.000 1.142 425 H CA -0.386 55.773 56.048 0.185 0.000 1.346 425 H CB 0.723 30.526 29.762 0.069 0.000 1.438 425 H HN 0.702 nan 8.280 nan 0.000 0.473 426 Q N 3.911 123.844 119.800 0.222 0.000 2.193 426 Q HA 0.620 4.960 4.340 0.001 0.000 0.246 426 Q C 0.049 176.087 176.000 0.064 0.000 0.959 426 Q CA -0.190 55.686 55.803 0.121 0.000 0.904 426 Q CB 1.936 30.488 28.738 -0.311 0.000 1.238 426 Q HN 0.778 nan 8.270 nan 0.000 0.469 427 G N 0.381 109.255 108.800 0.125 0.000 2.253 427 G HA2 -0.020 3.940 3.960 0.001 0.000 0.190 427 G HA3 -0.020 3.940 3.960 0.001 0.000 0.190 427 G C -0.862 174.151 174.900 0.189 0.000 1.274 427 G CA -0.312 44.876 45.100 0.146 0.000 1.275 427 G HN 0.716 nan 8.290 nan 0.000 0.518 428 R N -1.069 119.560 120.500 0.216 0.000 3.142 428 R HA 0.644 4.985 4.340 0.001 0.000 0.260 428 R C -0.006 176.367 176.300 0.122 0.000 1.129 428 R CA -0.233 55.953 56.100 0.143 0.000 0.976 428 R CB 0.591 30.948 30.300 0.096 0.000 1.396 428 R HN 0.764 nan 8.270 nan 0.000 0.434 429 S N 1.181 116.929 115.700 0.079 0.000 3.116 429 S HA -0.157 4.313 4.470 0.001 0.000 0.373 429 S C 0.152 174.796 174.600 0.074 0.000 1.193 429 S CA 0.493 58.732 58.200 0.065 0.000 0.972 429 S CB -0.001 63.229 63.200 0.050 0.000 0.671 429 S HN 0.494 nan 8.310 nan 0.000 0.488 430 S N 2.509 118.250 115.700 0.068 0.000 2.784 430 S HA 0.179 4.649 4.470 0.001 0.000 0.322 430 S C 1.027 175.676 174.600 0.082 0.000 1.234 430 S CA 0.802 59.050 58.200 0.080 0.000 1.064 430 S CB -0.035 63.234 63.200 0.115 0.000 0.787 430 S HN 0.876 nan 8.310 nan 0.000 0.506 431 S N 2.496 118.253 115.700 0.095 0.000 2.693 431 S HA -0.047 4.423 4.470 0.001 0.000 0.178 431 S C -0.495 174.155 174.600 0.084 0.000 0.664 431 S CA 0.347 58.592 58.200 0.076 0.000 1.238 431 S CB -1.177 62.060 63.200 0.062 0.000 0.833 431 S HN 0.811 nan 8.310 nan 0.000 0.431 432 S N 0.372 116.141 115.700 0.115 0.000 2.536 432 S HA 0.882 5.352 4.470 0.001 0.000 0.298 432 S C 0.011 174.706 174.600 0.159 0.000 1.083 432 S CA -0.142 58.118 58.200 0.101 0.000 0.995 432 S CB 1.787 65.033 63.200 0.076 0.000 1.058 432 S HN 1.286 nan 8.310 nan 0.000 0.488 433 G N 0.374 109.181 108.800 0.012 0.000 2.338 433 G HA2 0.460 4.420 3.960 0.001 0.000 0.295 433 G HA3 0.460 4.420 3.960 0.001 0.000 0.295 433 G C -2.297 172.477 174.900 -0.209 0.000 1.461 433 G CA -0.818 44.137 45.100 -0.242 0.000 0.817 433 G HN 0.818 nan 8.290 nan 0.000 0.556 434 H N -0.258 118.598 119.070 -0.357 0.000 3.177 434 H HA 0.518 5.075 4.556 0.001 0.000 0.314 434 H C -1.146 174.212 175.328 0.050 0.000 1.059 434 H CA -0.549 55.417 56.048 -0.136 0.000 1.515 434 H CB 0.164 29.913 29.762 -0.021 0.000 1.672 434 H HN 0.510 nan 8.280 nan 0.000 0.514 435 Y N 4.051 124.134 120.300 -0.363 0.000 2.359 435 Y HA 0.405 4.955 4.550 0.001 0.000 0.330 435 Y C 0.025 175.679 175.900 -0.410 0.000 1.143 435 Y CA -0.822 57.121 58.100 -0.261 0.000 1.318 435 Y CB 1.183 39.579 38.460 -0.106 0.000 1.234 435 Y HN 0.238 nan 8.280 nan 0.000 0.522 436 V N 2.601 122.436 119.914 -0.131 0.000 2.709 436 V HA 0.225 4.345 4.120 0.001 0.000 0.308 436 V C -0.367 175.574 176.094 -0.255 0.000 1.062 436 V CA -0.842 61.245 62.300 -0.355 0.000 0.901 436 V CB 1.983 33.415 31.823 -0.652 0.000 1.003 436 V HN 0.776 nan 8.190 nan 0.000 0.425 437 S N 3.168 118.668 115.700 -0.334 0.000 2.617 437 S HA 0.759 5.230 4.470 0.001 0.000 0.283 437 S C -1.827 172.531 174.600 -0.403 0.000 1.189 437 S CA -0.375 57.734 58.200 -0.152 0.000 1.036 437 S CB 0.754 63.899 63.200 -0.093 0.000 1.014 437 S HN 0.572 nan 8.310 nan 0.000 0.522 438 W N 3.142 124.394 121.300 -0.080 0.000 2.631 438 W HA 0.529 5.189 4.660 0.001 0.000 0.321 438 W C -1.070 175.380 176.519 -0.116 0.000 1.004 438 W CA -0.840 56.489 57.345 -0.028 0.000 1.291 438 W CB 0.311 29.884 29.460 0.188 0.000 1.300 438 W HN 0.324 nan 8.180 nan 0.000 0.422 439 V N 3.007 122.750 119.914 -0.285 0.000 2.834 439 V HA 0.517 4.638 4.120 0.001 0.000 0.313 439 V C 0.056 175.697 176.094 -0.754 0.000 1.060 439 V CA -1.352 60.669 62.300 -0.466 0.000 0.989 439 V CB 1.965 33.428 31.823 -0.599 0.000 1.041 439 V HN 0.368 nan 8.190 nan 0.000 0.459 440 K N 2.635 122.470 120.400 -0.941 0.000 2.244 440 K HA 0.605 4.926 4.320 0.001 0.000 0.260 440 K C -0.399 175.877 176.600 -0.541 0.000 0.951 440 K CA -0.628 54.953 56.287 -1.176 0.000 0.826 440 K CB 1.054 32.386 32.500 -1.948 0.000 1.108 440 K HN 0.655 nan 8.250 nan 0.000 0.433 441 R N 3.357 123.655 120.500 -0.337 0.000 2.617 441 R HA 0.219 4.559 4.340 0.001 0.000 0.432 441 R C -1.183 175.070 176.300 -0.079 0.000 1.018 441 R CA -0.335 55.665 56.100 -0.166 0.000 1.077 441 R CB 0.848 31.078 30.300 -0.116 0.000 1.394 441 R HN 0.541 nan 8.270 nan 0.000 0.608 442 K N 0.587 120.952 120.400 -0.059 0.000 2.610 442 K HA 0.090 4.411 4.320 0.001 0.000 0.267 442 K C -1.120 175.511 176.600 0.051 0.000 0.943 442 K CA -0.647 55.645 56.287 0.009 0.000 0.862 442 K CB 2.231 34.749 32.500 0.031 0.000 1.376 442 K HN 0.061 nan 8.250 nan 0.000 0.412 443 Q N 2.257 122.092 119.800 0.057 0.000 2.426 443 Q HA -0.052 4.288 4.340 0.001 0.000 0.253 443 Q C -0.822 175.241 176.000 0.104 0.000 1.313 443 Q CA 0.868 56.720 55.803 0.081 0.000 0.902 443 Q CB -0.288 28.487 28.738 0.062 0.000 1.563 443 Q HN 0.621 nan 8.270 nan 0.000 0.517 444 D N 0.167 120.662 120.400 0.157 0.000 2.183 444 D HA -0.121 4.519 4.640 0.001 0.000 0.166 444 D C -0.891 175.539 176.300 0.216 0.000 0.927 444 D CA 0.746 54.851 54.000 0.176 0.000 0.984 444 D CB -0.289 40.579 40.800 0.113 0.000 1.093 444 D HN 0.529 nan 8.370 nan 0.000 0.521 445 E N 0.155 120.470 120.200 0.191 0.000 2.156 445 E HA 0.379 4.729 4.350 0.001 0.000 0.279 445 E C -0.824 175.915 176.600 0.231 0.000 0.965 445 E CA -0.612 55.906 56.400 0.197 0.000 0.789 445 E CB 1.427 31.199 29.700 0.120 0.000 1.098 445 E HN 0.127 nan 8.360 nan 0.000 0.397 446 W N 5.404 126.755 121.300 0.085 0.000 2.538 446 W HA 0.404 5.064 4.660 0.001 0.000 0.322 446 W C -0.953 175.650 176.519 0.140 0.000 1.028 446 W CA -0.709 56.697 57.345 0.103 0.000 1.228 446 W CB 0.955 30.483 29.460 0.112 0.000 1.356 446 W HN 0.481 nan 8.180 nan 0.000 0.452 447 I N 4.604 125.255 120.570 0.135 0.000 2.472 447 I HA 0.144 4.314 4.170 0.001 0.000 0.290 447 I C 0.748 176.986 176.117 0.202 0.000 1.016 447 I CA -0.099 61.299 61.300 0.163 0.000 1.348 447 I CB 1.149 39.203 38.000 0.091 0.000 1.417 447 I HN 0.178 nan 8.210 nan 0.000 0.521 448 K N 6.683 127.186 120.400 0.172 0.000 2.526 448 K HA 0.248 4.568 4.320 0.001 0.000 0.214 448 K C -0.772 175.759 176.600 -0.117 0.000 1.088 448 K CA -0.646 55.561 56.287 -0.133 0.000 1.058 448 K CB 0.183 32.573 32.500 -0.182 0.000 1.653 448 K HN 0.329 nan 8.250 nan 0.000 0.521 449 F N 2.328 122.065 119.950 -0.356 0.000 2.514 449 F HA -0.066 4.461 4.527 0.001 0.000 0.319 449 F C 0.832 176.425 175.800 -0.344 0.000 1.282 449 F CA 0.058 57.883 58.000 -0.292 0.000 1.052 449 F CB -0.788 38.072 39.000 -0.233 0.000 1.479 449 F HN 0.375 nan 8.300 nan 0.000 0.659 450 D N 2.809 123.119 120.400 -0.149 0.000 2.280 450 D HA 0.049 4.689 4.640 0.001 0.000 0.243 450 D C 0.973 177.227 176.300 -0.077 0.000 1.129 450 D CA -0.177 53.744 54.000 -0.132 0.000 0.848 450 D CB 0.871 41.642 40.800 -0.049 0.000 1.107 450 D HN 0.320 nan 8.370 nan 0.000 0.471 451 D N 3.225 123.586 120.400 -0.065 0.000 1.880 451 D HA -0.304 4.336 4.640 0.001 0.000 0.613 451 D C 0.349 176.593 176.300 -0.094 0.000 0.646 451 D CA 2.019 55.984 54.000 -0.059 0.000 1.702 451 D CB -0.356 40.445 40.800 0.002 0.000 0.194 451 D HN 0.599 nan 8.370 nan 0.000 0.255 452 D N 0.172 120.531 120.400 -0.069 0.000 2.402 452 D HA 0.156 4.796 4.640 0.001 0.000 0.216 452 D C -0.162 176.088 176.300 -0.082 0.000 1.128 452 D CA 0.102 54.051 54.000 -0.084 0.000 0.833 452 D CB 0.329 41.095 40.800 -0.057 0.000 0.971 452 D HN 0.199 nan 8.370 nan 0.000 0.503 453 K N 0.907 121.260 120.400 -0.079 0.000 2.606 453 K HA 0.286 4.606 4.320 0.001 0.000 0.196 453 K C -0.861 175.691 176.600 -0.080 0.000 1.048 453 K CA -0.440 55.811 56.287 -0.060 0.000 1.017 453 K CB 2.010 34.500 32.500 -0.016 0.000 1.413 453 K HN -0.154 nan 8.250 nan 0.000 0.568 454 V N 2.155 121.996 119.914 -0.122 0.000 2.352 454 V HA 0.051 4.171 4.120 0.001 0.000 0.253 454 V C 0.400 176.479 176.094 -0.025 0.000 1.083 454 V CA -0.297 61.929 62.300 -0.123 0.000 0.993 454 V CB -0.415 31.247 31.823 -0.268 0.000 1.111 454 V HN 0.543 nan 8.190 nan 0.000 0.490 455 S N 4.946 120.661 115.700 0.026 0.000 2.745 455 S HA 0.781 5.251 4.470 0.001 0.000 0.292 455 S C -0.290 174.380 174.600 0.116 0.000 1.127 455 S CA -0.857 57.382 58.200 0.066 0.000 1.007 455 S CB 2.100 65.347 63.200 0.077 0.000 1.165 455 S HN 0.446 nan 8.310 nan 0.000 0.544 456 I N 1.261 121.911 120.570 0.133 0.000 2.545 456 I HA 0.566 4.736 4.170 0.001 0.000 0.292 456 I C -0.981 175.260 176.117 0.208 0.000 1.040 456 I CA -0.783 60.617 61.300 0.168 0.000 1.068 456 I CB 1.926 40.003 38.000 0.128 0.000 1.251 456 I HN 0.675 nan 8.210 nan 0.000 0.424 457 V N 2.148 122.227 119.914 0.274 0.000 3.167 457 V HA 0.743 4.864 4.120 0.001 0.000 0.310 457 V C -0.336 175.917 176.094 0.265 0.000 1.207 457 V CA -0.578 61.893 62.300 0.285 0.000 1.059 457 V CB 1.706 33.767 31.823 0.397 0.000 1.079 457 V HN 0.773 nan 8.190 nan 0.000 0.446 458 T N -2.251 112.414 114.554 0.185 0.000 2.945 458 T HA 0.634 4.984 4.350 0.001 0.000 0.286 458 T C -2.034 172.677 174.700 0.019 0.000 1.025 458 T CA -1.835 60.344 62.100 0.132 0.000 1.039 458 T CB 1.580 70.496 68.868 0.080 0.000 1.068 458 T HN 0.522 nan 8.240 nan 0.000 0.497 459 P HA -0.191 nan 4.420 nan 0.000 0.214 459 P C 1.595 178.722 177.300 -0.289 0.000 1.169 459 P CA 1.246 64.161 63.100 -0.308 0.000 0.908 459 P CB 0.033 31.626 31.700 -0.178 0.000 0.791 460 E N -0.359 119.751 120.200 -0.151 0.000 2.187 460 E HA -0.230 4.121 4.350 0.001 0.000 0.199 460 E C 1.638 178.167 176.600 -0.117 0.000 1.004 460 E CA 1.243 57.568 56.400 -0.124 0.000 0.813 460 E CB -1.155 28.509 29.700 -0.059 0.000 0.736 460 E HN 0.426 nan 8.360 nan 0.000 0.468 461 D N 0.328 120.678 120.400 -0.082 0.000 2.149 461 D HA -0.079 4.562 4.640 0.001 0.000 0.201 461 D C 2.033 178.267 176.300 -0.110 0.000 0.972 461 D CA 0.375 54.366 54.000 -0.015 0.000 0.835 461 D CB 0.028 40.882 40.800 0.090 0.000 0.966 461 D HN 0.114 nan 8.370 nan 0.000 0.476 462 I N 0.961 121.356 120.570 -0.293 0.000 2.163 462 I HA -0.225 3.946 4.170 0.001 0.000 0.243 462 I C 1.917 177.781 176.117 -0.422 0.000 1.085 462 I CA 0.781 61.785 61.300 -0.494 0.000 1.347 462 I CB -1.063 36.427 38.000 -0.850 0.000 1.044 462 I HN 0.008 nan 8.210 nan 0.000 0.408 463 L N 0.729 121.692 121.223 -0.434 0.000 2.885 463 L HA -0.071 4.270 4.340 0.001 0.000 0.258 463 L C 1.823 178.572 176.870 -0.203 0.000 1.146 463 L CA 0.966 55.534 54.840 -0.453 0.000 0.922 463 L CB -0.855 40.956 42.059 -0.414 0.000 1.138 463 L HN 0.161 nan 8.230 nan 0.000 0.431 464 R N -1.482 118.972 120.500 -0.078 0.000 2.476 464 R HA 0.245 4.586 4.340 0.001 0.000 0.276 464 R C 1.349 177.758 176.300 0.181 0.000 0.941 464 R CA -0.102 56.061 56.100 0.105 0.000 1.088 464 R CB 0.225 30.650 30.300 0.209 0.000 1.216 464 R HN 0.313 nan 8.270 nan 0.000 0.533 465 L N 0.498 121.741 121.223 0.032 0.000 2.554 465 L HA 0.033 4.373 4.340 0.001 0.000 0.226 465 L C 1.618 178.562 176.870 0.123 0.000 1.137 465 L CA 0.460 55.280 54.840 -0.033 0.000 0.863 465 L CB -0.107 41.861 42.059 -0.151 0.000 0.985 465 L HN 0.094 nan 8.230 nan 0.000 0.451 466 S N 0.109 115.956 115.700 0.244 0.000 2.392 466 S HA -0.059 4.412 4.470 0.001 0.000 0.232 466 S C 1.211 175.875 174.600 0.106 0.000 1.041 466 S CA 1.049 59.400 58.200 0.251 0.000 1.026 466 S CB -0.338 62.946 63.200 0.139 0.000 0.845 466 S HN 0.709 nan 8.310 nan 0.000 0.465 467 G N -0.983 107.880 108.800 0.105 0.000 2.306 467 G HA2 0.435 4.395 3.960 0.001 0.000 0.262 467 G HA3 0.435 4.395 3.960 0.001 0.000 0.262 467 G C 0.286 175.248 174.900 0.103 0.000 1.263 467 G CA -0.168 44.986 45.100 0.089 0.000 1.088 467 G HN 1.301 nan 8.290 nan 0.000 0.489 468 G N -1.749 107.103 108.800 0.087 0.000 3.405 468 G HA2 0.339 4.299 3.960 0.001 0.000 0.246 468 G HA3 0.339 4.299 3.960 0.001 0.000 0.246 468 G C 1.680 176.632 174.900 0.087 0.000 1.852 468 G CA 1.379 46.527 45.100 0.081 0.000 1.510 468 G HN 2.370 nan 8.290 nan 0.000 0.570 469 G N -0.666 108.199 108.800 0.108 0.000 2.908 469 G HA2 0.411 4.372 3.960 0.001 0.000 0.188 469 G HA3 0.411 4.372 3.960 0.001 0.000 0.188 469 G C 0.581 175.553 174.900 0.119 0.000 1.903 469 G CA 1.453 46.615 45.100 0.103 0.000 0.883 469 G HN 0.501 nan 8.290 nan 0.000 0.515 470 D N -1.697 118.792 120.400 0.148 0.000 2.500 470 D HA 0.073 4.713 4.640 0.001 0.000 0.218 470 D C 0.569 177.002 176.300 0.222 0.000 1.140 470 D CA -0.572 53.517 54.000 0.148 0.000 0.830 470 D CB 0.750 41.618 40.800 0.113 0.000 1.055 470 D HN 0.340 nan 8.370 nan 0.000 0.512 471 W N 1.995 123.298 121.300 0.005 0.000 1.718 471 W HA -0.087 4.574 4.660 0.001 0.000 0.341 471 W C 0.722 177.246 176.519 0.008 0.000 1.432 471 W CA 0.237 57.580 57.345 -0.003 0.000 1.578 471 W CB 0.426 29.912 29.460 0.043 0.000 1.410 471 W HN -0.034 nan 8.180 nan 0.000 0.729 472 H N 1.420 120.086 119.070 -0.675 0.000 2.771 472 H HA 0.212 4.769 4.556 0.001 0.000 0.364 472 H C -0.351 174.795 175.328 -0.303 0.000 1.133 472 H CA 0.690 56.383 56.048 -0.591 0.000 1.423 472 H CB 0.638 29.851 29.762 -0.916 0.000 1.425 472 H HN 0.212 nan 8.280 nan 0.000 0.606 473 I N 1.374 121.958 120.570 0.023 0.000 2.499 473 I HA 0.295 4.465 4.170 0.001 0.000 0.288 473 I C 0.270 176.379 176.117 -0.013 0.000 1.048 473 I CA -0.863 60.446 61.300 0.015 0.000 1.062 473 I CB 1.819 39.859 38.000 0.066 0.000 1.238 473 I HN 0.520 nan 8.210 nan 0.000 0.426 474 A N 4.382 127.136 122.820 -0.109 0.000 2.507 474 A HA 0.143 4.464 4.320 0.001 0.000 0.235 474 A C -0.169 177.354 177.584 -0.102 0.000 1.070 474 A CA 0.751 52.669 52.037 -0.199 0.000 0.768 474 A CB 0.074 18.742 19.000 -0.555 0.000 1.011 474 A HN 0.840 nan 8.150 nan 0.000 0.502 475 Y N 0.607 120.755 120.300 -0.254 0.000 2.460 475 Y HA 0.386 4.936 4.550 0.001 0.000 0.276 475 Y C -0.343 175.404 175.900 -0.256 0.000 1.119 475 Y CA 0.136 58.086 58.100 -0.251 0.000 1.181 475 Y CB 0.791 39.116 38.460 -0.225 0.000 1.304 475 Y HN 0.424 nan 8.280 nan 0.000 0.536 476 V N 2.502 122.310 119.914 -0.177 0.000 2.777 476 V HA 0.386 4.506 4.120 0.001 0.000 0.306 476 V C -0.841 175.130 176.094 -0.204 0.000 1.112 476 V CA -1.003 61.136 62.300 -0.269 0.000 0.917 476 V CB 2.256 33.943 31.823 -0.226 0.000 1.018 476 V HN 0.043 nan 8.190 nan 0.000 0.426 477 L N 4.303 125.376 121.223 -0.251 0.000 2.313 477 L HA 0.749 5.089 4.340 0.001 0.000 0.268 477 L C -0.917 175.821 176.870 -0.221 0.000 1.010 477 L CA -0.947 53.745 54.840 -0.247 0.000 0.814 477 L CB 1.941 43.817 42.059 -0.305 0.000 1.304 477 L HN 0.492 nan 8.230 nan 0.000 0.441 478 L N 1.071 122.146 121.223 -0.246 0.000 2.406 478 L HA 0.476 4.816 4.340 0.001 0.000 0.270 478 L C -1.473 175.261 176.870 -0.227 0.000 0.982 478 L CA 0.084 54.864 54.840 -0.101 0.000 0.843 478 L CB 1.153 43.279 42.059 0.112 0.000 1.225 478 L HN 0.280 nan 8.230 nan 0.000 0.412 479 Y N 3.019 123.308 120.300 -0.018 0.000 2.361 479 Y HA 0.774 5.324 4.550 0.001 0.000 0.332 479 Y C 0.882 176.665 175.900 -0.194 0.000 1.101 479 Y CA -0.113 57.916 58.100 -0.117 0.000 1.137 479 Y CB 2.160 40.462 38.460 -0.263 0.000 1.207 479 Y HN 0.655 nan 8.280 nan 0.000 0.463 480 G N 2.692 111.556 108.800 0.106 0.000 2.569 480 G HA2 0.601 4.561 3.960 0.001 0.000 0.300 480 G HA3 0.601 4.561 3.960 0.001 0.000 0.300 480 G C -3.069 171.902 174.900 0.119 0.000 1.269 480 G CA -2.247 42.941 45.100 0.145 0.000 0.959 480 G HN 0.260 nan 8.290 nan 0.000 0.478 481 P HA 0.028 nan 4.420 nan 0.000 0.273 481 P C 0.014 177.417 177.300 0.172 0.000 1.237 481 P CA 0.185 63.354 63.100 0.115 0.000 0.813 481 P CB 0.541 32.214 31.700 -0.046 0.000 0.930 482 R N 0.000 120.597 120.500 0.162 0.000 2.786 482 R HA 0.000 4.340 4.340 0.001 0.000 0.208 482 R CA 0.000 56.185 56.100 0.142 0.000 0.921 482 R CB 0.000 30.401 30.300 0.169 0.000 0.687 482 R HN 0.000 nan 8.270 nan 0.000 0.535