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 3ooc_1_B DATA FIRST_RESID 89 DATA SEQUENCE TQNLGVKTAT VTRGPLTFAQ SFPANVSYNE YQYAIVQARA AGFIDKVYPL DATA SEQUENCE TVGDKVQKGT PLLDLTIPDW VEAQSEYLLL RETGGTATQT EGILERLRLA DATA SEQUENCE GMPEADIRRL IATQKIQTRF TLKAPIDGVI TAFDLRAGMN IAKDNVVAKI DATA SEQUENCE QGMDPVWVTA AIPESIAWLV KDASQFTLTV PARPDKTLTI RKWTLLPGVD DATA SEQUENCE AATRTLQLRL EVDNADEALK PGMNAWLQLN TASEPMLLIP SQALIDTGSE DATA SEQUENCE QRVITVDADG RFVPKRVAVF QASQGVTALR SGLAEGEKVV SSGLFLI 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 89 T HA 0.000 nan 4.350 nan 0.000 0.228 89 T C 0.000 174.701 174.700 0.002 0.000 1.109 89 T CA 0.000 62.107 62.100 0.012 0.000 1.349 89 T CB 0.000 68.882 68.868 0.024 0.000 0.612 90 Q N 1.523 121.320 119.800 -0.006 0.000 2.466 90 Q HA -0.145 4.194 4.340 -0.001 0.000 0.248 90 Q C -0.704 175.293 176.000 -0.006 0.000 0.791 90 Q CA 0.915 56.709 55.803 -0.016 0.000 1.225 90 Q CB -1.960 26.767 28.738 -0.019 0.000 1.418 90 Q HN 0.870 nan 8.270 nan 0.000 0.662 91 N N 1.108 119.810 118.700 0.004 0.000 3.209 91 N HA 0.187 4.927 4.740 -0.001 0.000 0.309 91 N C 0.138 175.656 175.510 0.014 0.000 1.384 91 N CA -0.360 52.697 53.050 0.012 0.000 1.173 91 N CB 0.080 38.579 38.487 0.022 0.000 1.460 91 N HN 0.266 nan 8.380 nan 0.000 0.534 92 L N -1.961 119.271 121.223 0.015 0.000 2.452 92 L HA 0.787 5.127 4.340 -0.001 0.000 0.267 92 L C 0.234 177.131 176.870 0.044 0.000 1.188 92 L CA -0.149 54.710 54.840 0.032 0.000 0.821 92 L CB -0.114 41.984 42.059 0.067 0.000 1.102 92 L HN 0.307 nan 8.230 nan 0.000 0.470 93 G N 2.463 111.302 108.800 0.064 0.000 2.460 93 G HA2 0.535 4.494 3.960 -0.001 0.000 0.299 93 G HA3 0.535 4.494 3.960 -0.001 0.000 0.299 93 G C -1.419 173.537 174.900 0.093 0.000 1.592 93 G CA -0.226 44.916 45.100 0.071 0.000 1.008 93 G HN 0.642 nan 8.290 nan 0.000 0.513 94 V N 1.256 121.222 119.914 0.087 0.000 3.087 94 V HA 0.675 4.795 4.120 -0.001 0.000 0.306 94 V C -0.539 175.599 176.094 0.073 0.000 1.187 94 V CA -1.128 61.232 62.300 0.099 0.000 0.999 94 V CB 2.635 34.542 31.823 0.139 0.000 1.049 94 V HN 0.690 nan 8.190 nan 0.000 0.431 95 K N 1.647 122.086 120.400 0.065 0.000 2.324 95 K HA 0.791 5.111 4.320 -0.001 0.000 0.253 95 K C -0.529 176.103 176.600 0.054 0.000 0.932 95 K CA -0.269 56.048 56.287 0.050 0.000 0.799 95 K CB 2.136 34.656 32.500 0.035 0.000 1.154 95 K HN 0.976 nan 8.250 nan 0.000 0.425 96 T N -0.378 114.205 114.554 0.049 0.000 2.940 96 T HA 0.881 5.230 4.350 -0.001 0.000 0.288 96 T C -0.661 174.061 174.700 0.035 0.000 1.045 96 T CA -0.959 61.172 62.100 0.052 0.000 1.018 96 T CB 1.796 70.700 68.868 0.060 0.000 1.151 96 T HN 0.629 nan 8.240 nan 0.000 0.529 97 A N 0.496 123.337 122.820 0.034 0.000 2.572 97 A HA 0.754 5.074 4.320 -0.001 0.000 0.295 97 A C -0.270 177.328 177.584 0.024 0.000 1.072 97 A CA -0.788 51.263 52.037 0.023 0.000 0.691 97 A CB 1.669 20.680 19.000 0.017 0.000 1.291 97 A HN 1.102 nan 8.150 nan 0.000 0.404 98 T N 0.932 115.496 114.554 0.017 0.000 2.794 98 T HA 0.531 4.880 4.350 -0.001 0.000 0.280 98 T C -0.047 174.660 174.700 0.011 0.000 0.987 98 T CA -0.330 61.780 62.100 0.016 0.000 0.993 98 T CB 0.441 69.316 68.868 0.013 0.000 0.939 98 T HN 0.948 nan 8.240 nan 0.000 0.449 99 V N 5.412 125.334 119.914 0.014 0.000 2.814 99 V HA 0.367 4.487 4.120 -0.001 0.000 0.307 99 V C 1.174 177.270 176.094 0.003 0.000 1.089 99 V CA 0.619 62.925 62.300 0.009 0.000 1.212 99 V CB 0.508 32.339 31.823 0.014 0.000 0.912 99 V HN 1.141 nan 8.190 nan 0.000 0.497 100 T N 3.248 117.800 114.554 -0.003 0.000 2.787 100 T HA 0.620 4.969 4.350 -0.001 0.000 0.297 100 T C -0.777 173.914 174.700 -0.014 0.000 1.221 100 T CA -1.071 61.024 62.100 -0.009 0.000 1.006 100 T CB 1.964 70.824 68.868 -0.014 0.000 1.328 100 T HN 0.766 nan 8.240 nan 0.000 0.509 101 R N 0.206 120.696 120.500 -0.018 0.000 2.460 101 R HA 0.751 5.090 4.340 -0.001 0.000 0.303 101 R C -0.052 176.227 176.300 -0.036 0.000 0.968 101 R CA 0.014 56.099 56.100 -0.025 0.000 0.889 101 R CB 1.090 31.380 30.300 -0.017 0.000 1.123 101 R HN 1.221 nan 8.270 nan 0.000 0.455 102 G N 3.294 112.063 108.800 -0.052 0.000 2.342 102 G HA2 0.321 4.280 3.960 -0.001 0.000 0.297 102 G HA3 0.321 4.280 3.960 -0.001 0.000 0.297 102 G C -3.249 171.592 174.900 -0.097 0.000 1.313 102 G CA -0.969 44.092 45.100 -0.066 0.000 0.830 102 G HN 0.462 nan 8.290 nan 0.000 0.506 103 P HA 0.665 nan 4.420 nan 0.000 0.284 103 P C -0.975 176.187 177.300 -0.230 0.000 1.287 103 P CA -0.752 62.245 63.100 -0.171 0.000 0.824 103 P CB 1.207 32.810 31.700 -0.163 0.000 1.180 104 L N 0.755 121.764 121.223 -0.358 0.000 2.317 104 L HA 0.481 4.821 4.340 -0.001 0.000 0.281 104 L C -0.063 176.386 176.870 -0.702 0.000 1.024 104 L CA 0.035 54.580 54.840 -0.492 0.000 0.810 104 L CB 0.989 42.698 42.059 -0.583 0.000 1.240 104 L HN 0.407 nan 8.230 nan 0.000 0.427 105 T N 0.787 115.034 114.554 -0.512 0.000 2.749 105 T HA 0.544 4.893 4.350 -0.001 0.000 0.287 105 T C -0.436 174.071 174.700 -0.322 0.000 0.970 105 T CA -0.384 61.477 62.100 -0.399 0.000 0.980 105 T CB 0.162 68.914 68.868 -0.193 0.000 0.924 105 T HN 0.118 nan 8.240 nan 0.000 0.456 106 F N 2.234 122.159 119.950 -0.041 0.000 2.361 106 F HA 0.618 5.144 4.527 -0.001 0.000 0.364 106 F C 0.799 176.592 175.800 -0.012 0.000 1.120 106 F CA -1.653 56.331 58.000 -0.026 0.000 1.102 106 F CB 0.590 39.575 39.000 -0.025 0.000 1.183 106 F HN 0.870 nan 8.300 nan 0.000 0.476 107 A N 3.803 126.736 122.820 0.188 0.000 2.371 107 A HA 0.624 4.943 4.320 -0.001 0.000 0.257 107 A C -0.388 177.254 177.584 0.098 0.000 1.089 107 A CA -0.209 51.894 52.037 0.110 0.000 0.794 107 A CB 0.741 19.779 19.000 0.063 0.000 1.029 107 A HN 0.788 nan 8.150 nan 0.000 0.488 108 Q N 0.320 120.180 119.800 0.099 0.000 2.443 108 Q HA 0.437 4.777 4.340 -0.001 0.000 0.258 108 Q C -1.507 174.553 176.000 0.100 0.000 0.967 108 Q CA -0.194 55.646 55.803 0.061 0.000 0.951 108 Q CB 1.845 30.675 28.738 0.153 0.000 1.459 108 Q HN 0.798 nan 8.270 nan 0.000 0.415 109 S N 2.849 118.494 115.700 -0.091 0.000 2.482 109 S HA 0.857 5.326 4.470 -0.001 0.000 0.303 109 S C -1.474 173.076 174.600 -0.085 0.000 1.091 109 S CA -0.266 57.957 58.200 0.039 0.000 1.057 109 S CB 0.519 63.703 63.200 -0.028 0.000 1.031 109 S HN 0.427 nan 8.310 nan 0.000 0.485 110 F N 3.135 123.243 119.950 0.263 0.000 2.593 110 F HA 0.567 5.094 4.527 -0.001 0.000 0.320 110 F C -2.344 173.575 175.800 0.199 0.000 1.060 110 F CA -2.245 55.889 58.000 0.223 0.000 0.940 110 F CB 2.040 41.082 39.000 0.071 0.000 1.268 110 F HN 0.338 nan 8.300 nan 0.000 0.475 111 P HA 0.468 nan 4.420 nan 0.000 0.292 111 P C -1.488 175.690 177.300 -0.204 0.000 1.287 111 P CA -0.330 62.557 63.100 -0.355 0.000 0.800 111 P CB 1.411 32.934 31.700 -0.294 0.000 0.945 112 A N 3.136 125.778 122.820 -0.298 0.000 2.435 112 A HA 0.718 5.037 4.320 -0.001 0.000 0.304 112 A C -0.953 176.510 177.584 -0.202 0.000 1.064 112 A CA -0.570 51.353 52.037 -0.189 0.000 0.727 112 A CB 1.148 20.062 19.000 -0.142 0.000 1.284 112 A HN 0.620 nan 8.150 nan 0.000 0.415 113 N N 0.880 119.497 118.700 -0.137 0.000 2.372 113 N HA 0.440 5.180 4.740 -0.001 0.000 0.285 113 N C -0.747 174.717 175.510 -0.077 0.000 1.008 113 N CA -0.554 52.425 53.050 -0.118 0.000 0.880 113 N CB 1.206 39.631 38.487 -0.104 0.000 1.239 113 N HN 0.287 nan 8.380 nan 0.000 0.484 114 V N 0.882 120.747 119.914 -0.081 0.000 2.788 114 V HA 0.284 4.404 4.120 -0.001 0.000 0.307 114 V C 0.831 176.877 176.094 -0.080 0.000 1.069 114 V CA 0.108 62.373 62.300 -0.059 0.000 1.173 114 V CB 0.276 32.053 31.823 -0.078 0.000 0.925 114 V HN 0.897 nan 8.190 nan 0.000 0.492 115 S N 2.827 118.516 115.700 -0.018 0.000 2.607 115 S HA 0.616 5.085 4.470 -0.001 0.000 0.273 115 S C -1.401 173.208 174.600 0.015 0.000 1.148 115 S CA -0.666 57.521 58.200 -0.022 0.000 0.833 115 S CB 1.419 64.705 63.200 0.143 0.000 1.130 115 S HN 0.531 nan 8.310 nan 0.000 0.470 116 Y N 2.537 122.805 120.300 -0.053 0.000 2.323 116 Y HA 0.320 4.870 4.550 -0.001 0.000 0.331 116 Y C 0.572 176.174 175.900 -0.497 0.000 1.092 116 Y CA -1.291 56.679 58.100 -0.217 0.000 1.150 116 Y CB 1.093 39.462 38.460 -0.151 0.000 1.200 116 Y HN 0.676 nan 8.280 nan 0.000 0.472 117 N N 2.101 120.350 118.700 -0.751 0.000 2.492 117 N HA -0.024 4.715 4.740 -0.001 0.000 0.262 117 N C -0.255 174.790 175.510 -0.775 0.000 1.202 117 N CA -0.171 51.951 53.050 -1.547 0.000 0.926 117 N CB 0.729 38.310 38.487 -1.511 0.000 1.078 117 N HN 0.625 nan 8.380 nan 0.000 0.454 118 E N 0.447 120.173 120.200 -0.791 0.000 2.502 118 E HA 0.019 4.368 4.350 -0.001 0.000 0.194 118 E C 0.086 176.549 176.600 -0.228 0.000 1.062 118 E CA 0.394 56.607 56.400 -0.311 0.000 0.867 118 E CB -0.238 29.328 29.700 -0.223 0.000 0.888 118 E HN 0.682 nan 8.360 nan 0.000 0.510 119 Y N -1.373 118.828 120.300 -0.166 0.000 2.481 119 Y HA 0.121 4.670 4.550 -0.001 0.000 0.258 119 Y C 1.718 177.415 175.900 -0.338 0.000 1.103 119 Y CA -0.211 57.764 58.100 -0.208 0.000 1.287 119 Y CB 0.596 39.008 38.460 -0.081 0.000 1.108 119 Y HN -0.043 nan 8.280 nan 0.000 0.529 120 Q N 0.948 120.637 119.800 -0.186 0.000 2.212 120 Q HA 0.099 4.439 4.340 -0.001 0.000 0.213 120 Q C -0.686 175.214 176.000 -0.167 0.000 0.874 120 Q CA -0.341 55.346 55.803 -0.195 0.000 0.965 120 Q CB -0.518 28.090 28.738 -0.216 0.000 1.074 120 Q HN 0.527 nan 8.270 nan 0.000 0.473 121 Y N -2.191 118.039 120.300 -0.117 0.000 2.354 121 Y HA 0.795 5.345 4.550 -0.001 0.000 0.322 121 Y C -0.528 175.331 175.900 -0.070 0.000 1.253 121 Y CA -1.263 56.772 58.100 -0.107 0.000 1.272 121 Y CB 0.924 39.328 38.460 -0.092 0.000 1.255 121 Y HN -0.026 nan 8.280 nan 0.000 0.500 122 A N 3.046 126.003 122.820 0.229 0.000 2.435 122 A HA 0.741 5.060 4.320 -0.001 0.000 0.304 122 A C -1.633 176.077 177.584 0.210 0.000 1.064 122 A CA -0.944 51.193 52.037 0.166 0.000 0.727 122 A CB 1.015 20.028 19.000 0.021 0.000 1.284 122 A HN 0.791 nan 8.150 nan 0.000 0.415 123 I N 0.402 121.077 120.570 0.176 0.000 2.464 123 I HA 0.416 4.586 4.170 -0.001 0.000 0.277 123 I C -0.435 175.719 176.117 0.063 0.000 1.040 123 I CA -0.843 60.520 61.300 0.105 0.000 1.153 123 I CB 0.874 38.935 38.000 0.102 0.000 1.274 123 I HN 0.104 nan 8.210 nan 0.000 0.469 124 V N 7.080 127.022 119.914 0.047 0.000 2.390 124 V HA 0.155 4.274 4.120 -0.001 0.000 0.260 124 V C 0.635 176.748 176.094 0.032 0.000 1.043 124 V CA -0.067 62.253 62.300 0.035 0.000 1.047 124 V CB -0.692 31.154 31.823 0.038 0.000 1.066 124 V HN 0.855 nan 8.190 nan 0.000 0.481 125 Q N 4.100 123.914 119.800 0.023 0.000 2.240 125 Q HA 0.869 5.208 4.340 -0.001 0.000 0.260 125 Q C -0.554 175.449 176.000 0.005 0.000 1.018 125 Q CA -1.088 54.723 55.803 0.014 0.000 0.898 125 Q CB 2.456 31.203 28.738 0.016 0.000 1.301 125 Q HN 0.578 nan 8.270 nan 0.000 0.469 126 A N 1.584 124.401 122.820 -0.005 0.000 2.285 126 A HA 0.536 4.856 4.320 -0.001 0.000 0.310 126 A C -0.907 176.674 177.584 -0.006 0.000 1.266 126 A CA -0.834 51.193 52.037 -0.017 0.000 0.832 126 A CB 0.541 19.517 19.000 -0.040 0.000 1.163 126 A HN 0.576 nan 8.150 nan 0.000 0.499 127 R N 1.788 122.301 120.500 0.022 0.000 2.370 127 R HA 0.557 4.896 4.340 -0.001 0.000 0.309 127 R C 0.643 176.996 176.300 0.088 0.000 1.059 127 R CA 1.352 57.496 56.100 0.074 0.000 0.981 127 R CB -0.104 30.268 30.300 0.121 0.000 0.972 127 R HN 2.026 nan 8.270 nan 0.000 0.437 128 A N 1.379 124.244 122.820 0.075 0.000 2.467 128 A HA 0.207 4.526 4.320 -0.001 0.000 0.685 128 A C -0.417 177.108 177.584 -0.099 0.000 0.168 128 A CA -0.487 51.573 52.037 0.038 0.000 0.046 128 A CB -1.392 17.674 19.000 0.110 0.000 3.967 128 A HN 0.962 nan 8.150 nan 0.000 0.547 129 A N -0.089 122.652 122.820 -0.131 0.000 2.264 129 A HA 1.060 5.379 4.320 -0.001 0.000 0.304 129 A C 1.188 178.611 177.584 -0.269 0.000 1.100 129 A CA 0.835 52.758 52.037 -0.190 0.000 0.839 129 A CB 0.894 19.800 19.000 -0.157 0.000 1.121 129 A HN 2.935 nan 8.150 nan 0.000 0.496 130 G N -1.206 107.372 108.800 -0.371 0.000 2.435 130 G HA2 0.543 4.502 3.960 -0.001 0.000 0.296 130 G HA3 0.543 4.502 3.960 -0.001 0.000 0.296 130 G C -1.710 172.776 174.900 -0.690 0.000 1.240 130 G CA -0.553 44.337 45.100 -0.349 0.000 0.872 130 G HN 0.704 nan 8.290 nan 0.000 0.480 131 F N 0.023 119.935 119.950 -0.063 0.000 2.596 131 F HA 0.591 5.118 4.527 -0.000 0.000 0.311 131 F C 0.326 176.107 175.800 -0.033 0.000 1.116 131 F CA -0.738 57.234 58.000 -0.046 0.000 0.957 131 F CB 1.924 40.895 39.000 -0.048 0.000 1.250 131 F HN 0.368 nan 8.300 nan 0.000 0.444 132 I N 1.574 122.220 120.570 0.127 0.000 2.764 132 I HA 0.454 4.624 4.170 -0.001 0.000 0.294 132 I C -0.706 175.454 176.117 0.072 0.000 1.045 132 I CA -0.084 61.261 61.300 0.076 0.000 1.340 132 I CB 1.226 39.243 38.000 0.030 0.000 1.436 132 I HN 0.522 nan 8.210 nan 0.000 0.567 133 D N 2.638 123.074 120.400 0.060 0.000 2.706 133 D HA 0.307 4.947 4.640 -0.001 0.000 0.225 133 D C -0.187 176.130 176.300 0.029 0.000 1.241 133 D CA -0.419 53.601 54.000 0.033 0.000 0.784 133 D CB 1.505 42.322 40.800 0.027 0.000 1.521 133 D HN 0.511 nan 8.370 nan 0.000 0.461 134 K N 1.447 121.832 120.400 -0.025 0.000 9.931 134 K HA -0.290 4.030 4.320 -0.001 0.000 0.456 134 K C 0.737 177.293 176.600 -0.073 0.000 0.649 134 K CA 3.133 59.355 56.287 -0.109 0.000 1.643 134 K CB -1.635 30.757 32.500 -0.179 0.000 0.770 134 K HN 0.972 nan 8.250 nan 0.000 1.122 135 V N -4.446 115.505 119.914 0.062 0.000 0.387 135 V HA -0.190 3.929 4.120 -0.001 0.000 0.092 135 V C 0.030 176.381 176.094 0.427 0.000 2.735 135 V CA 1.610 64.041 62.300 0.218 0.000 3.811 135 V CB -1.426 30.444 31.823 0.079 0.000 1.065 135 V HN 1.032 nan 8.190 nan 0.000 1.122 136 Y N -2.080 118.278 120.300 0.096 0.000 2.513 136 Y HA -0.076 4.474 4.550 -0.001 0.000 0.022 136 Y C -2.417 173.546 175.900 0.104 0.000 1.710 136 Y CA -0.008 58.148 58.100 0.093 0.000 1.414 136 Y CB -1.324 37.192 38.460 0.092 0.000 2.060 136 Y HN 0.297 nan 8.280 nan 0.000 0.255 137 P HA 0.184 nan 4.420 nan 0.000 0.238 137 P C -1.050 176.323 177.300 0.122 0.000 1.714 137 P CA 0.392 63.576 63.100 0.140 0.000 0.908 137 P CB -0.102 31.659 31.700 0.101 0.000 1.893 138 L N 1.145 122.470 121.223 0.171 0.000 2.319 138 L HA 0.268 4.608 4.340 -0.001 0.000 0.281 138 L C 1.659 178.644 176.870 0.192 0.000 1.005 138 L CA 0.039 54.917 54.840 0.065 0.000 0.828 138 L CB 0.911 42.858 42.059 -0.187 0.000 1.227 138 L HN 0.042 nan 8.230 nan 0.000 0.415 139 T N 0.531 115.147 114.554 0.105 0.000 2.866 139 T HA 0.063 4.413 4.350 -0.001 0.000 0.250 139 T C 0.973 175.786 174.700 0.188 0.000 1.033 139 T CA 1.304 63.491 62.100 0.144 0.000 1.145 139 T CB 0.299 69.213 68.868 0.077 0.000 0.866 139 T HN 0.335 nan 8.240 nan 0.000 0.434 140 V N -1.482 118.491 119.914 0.099 0.000 5.899 140 V HA 0.332 4.451 4.120 -0.001 0.000 0.938 140 V C 0.532 176.641 176.094 0.024 0.000 2.648 140 V CA 0.493 62.858 62.300 0.108 0.000 4.615 140 V CB 0.065 31.965 31.823 0.128 0.000 0.657 140 V HN 0.779 nan 8.190 nan 0.000 0.627 141 G N 0.575 109.371 108.800 -0.007 0.000 5.129 141 G HA2 0.374 4.334 3.960 -0.001 0.000 0.253 141 G HA3 0.374 4.334 3.960 -0.001 0.000 0.253 141 G C -0.462 174.419 174.900 -0.031 0.000 0.912 141 G CA 0.326 45.417 45.100 -0.015 0.000 0.729 141 G HN 0.521 nan 8.290 nan 0.000 0.373 142 D N 0.503 120.868 120.400 -0.060 0.000 2.440 142 D HA 0.513 5.152 4.640 -0.001 0.000 0.269 142 D C 0.183 176.439 176.300 -0.073 0.000 1.249 142 D CA -0.090 53.876 54.000 -0.057 0.000 1.055 142 D CB 0.887 41.649 40.800 -0.064 0.000 1.104 142 D HN -0.062 nan 8.370 nan 0.000 0.561 143 K N 0.276 120.638 120.400 -0.064 0.000 2.394 143 K HA 0.494 4.813 4.320 -0.001 0.000 0.260 143 K C -1.172 175.382 176.600 -0.075 0.000 0.967 143 K CA -0.774 55.472 56.287 -0.068 0.000 0.855 143 K CB 1.653 34.126 32.500 -0.045 0.000 1.101 143 K HN 0.331 nan 8.250 nan 0.000 0.433 144 V N 0.447 120.304 119.914 -0.095 0.000 2.667 144 V HA 0.500 4.619 4.120 -0.001 0.000 0.308 144 V C -0.897 175.148 176.094 -0.082 0.000 1.048 144 V CA -0.840 61.402 62.300 -0.096 0.000 0.928 144 V CB 1.644 33.388 31.823 -0.131 0.000 1.004 144 V HN 0.753 nan 8.190 nan 0.000 0.444 145 Q N 2.590 122.348 119.800 -0.070 0.000 2.341 145 Q HA 0.478 4.817 4.340 -0.001 0.000 0.268 145 Q C -0.153 175.811 176.000 -0.060 0.000 1.013 145 Q CA -0.819 54.948 55.803 -0.059 0.000 0.798 145 Q CB 1.631 30.342 28.738 -0.045 0.000 1.253 145 Q HN 0.886 nan 8.270 nan 0.000 0.457 146 K N 1.613 121.977 120.400 -0.061 0.000 3.020 146 K HA -0.224 4.096 4.320 -0.001 0.000 0.266 146 K C 0.287 176.848 176.600 -0.065 0.000 1.067 146 K CA 0.638 56.891 56.287 -0.057 0.000 0.780 146 K CB -1.590 30.883 32.500 -0.045 0.000 1.220 146 K HN 1.244 nan 8.250 nan 0.000 0.483 147 G N 0.511 109.263 108.800 -0.080 0.000 2.247 147 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.260 147 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.260 147 G C 0.739 175.577 174.900 -0.103 0.000 0.852 147 G CA 0.720 45.760 45.100 -0.099 0.000 1.281 147 G HN 0.571 nan 8.290 nan 0.000 0.378 148 T N -0.479 114.013 114.554 -0.102 0.000 2.668 148 T HA 0.077 4.426 4.350 -0.001 0.000 0.262 148 T C -0.710 173.894 174.700 -0.160 0.000 1.045 148 T CA 1.480 63.522 62.100 -0.097 0.000 1.152 148 T CB -0.518 68.311 68.868 -0.065 0.000 0.864 148 T HN 0.573 nan 8.240 nan 0.000 0.419 149 P HA 0.763 nan 4.420 nan 0.000 0.310 149 P C -0.068 176.910 177.300 -0.536 0.000 1.292 149 P CA -0.766 61.991 63.100 -0.571 0.000 0.861 149 P CB 2.113 33.376 31.700 -0.728 0.000 1.337 150 L N -2.163 118.594 121.223 -0.776 0.000 1.457 150 L HA 0.372 4.711 4.340 -0.001 0.000 0.147 150 L C -1.451 175.464 176.870 0.075 0.000 1.318 150 L CA 0.496 55.196 54.840 -0.233 0.000 1.241 150 L CB 0.217 42.227 42.059 -0.083 0.000 2.558 150 L HN 0.454 nan 8.230 nan 0.000 0.487 151 L N -2.546 118.729 121.223 0.085 0.000 3.189 151 L HA 0.468 4.807 4.340 -0.001 0.000 0.244 151 L C -2.312 174.740 176.870 0.303 0.000 0.980 151 L CA -1.036 54.040 54.840 0.393 0.000 1.035 151 L CB 0.941 43.155 42.059 0.258 0.000 1.625 151 L HN -0.149 nan 8.230 nan 0.000 0.447 152 D N 5.013 125.603 120.400 0.317 0.000 2.193 152 D HA 0.683 5.323 4.640 -0.001 0.000 0.244 152 D C -0.503 175.891 176.300 0.157 0.000 1.064 152 D CA -0.082 54.053 54.000 0.225 0.000 0.845 152 D CB 2.205 43.119 40.800 0.189 0.000 1.148 152 D HN 0.612 nan 8.370 nan 0.000 0.464 153 L N -0.396 120.930 121.223 0.172 0.000 2.365 153 L HA 0.616 4.956 4.340 -0.001 0.000 0.273 153 L C 0.284 177.208 176.870 0.089 0.000 1.000 153 L CA -0.853 54.064 54.840 0.127 0.000 0.819 153 L CB 0.694 42.813 42.059 0.100 0.000 1.284 153 L HN 0.287 nan 8.230 nan 0.000 0.418 154 T N 0.516 115.097 114.554 0.045 0.000 2.910 154 T HA 0.764 5.113 4.350 -0.001 0.000 0.293 154 T C 0.022 174.724 174.700 0.003 0.000 1.015 154 T CA -0.481 61.596 62.100 -0.039 0.000 1.094 154 T CB 1.439 70.289 68.868 -0.029 0.000 0.968 154 T HN 0.563 nan 8.240 nan 0.000 0.521 155 I N 3.704 124.214 120.570 -0.099 0.000 2.500 155 I HA 0.285 4.454 4.170 -0.001 0.000 0.286 155 I C -2.175 173.909 176.117 -0.055 0.000 1.063 155 I CA -2.522 58.706 61.300 -0.120 0.000 1.062 155 I CB 2.496 40.251 38.000 -0.409 0.000 1.223 155 I HN 0.476 nan 8.210 nan 0.000 0.435 156 P HA 0.007 nan 4.420 nan 0.000 0.215 156 P C 0.436 177.803 177.300 0.112 0.000 1.173 156 P CA 0.686 63.823 63.100 0.061 0.000 0.663 156 P CB 0.141 31.897 31.700 0.094 0.000 0.720 157 D N -1.650 118.829 120.400 0.132 0.000 4.408 157 D HA -0.322 4.317 4.640 -0.001 0.000 0.497 157 D C 1.507 178.001 176.300 0.324 0.000 1.446 157 D CA 2.294 56.418 54.000 0.206 0.000 1.381 157 D CB -1.851 39.088 40.800 0.233 0.000 0.329 157 D HN 0.227 nan 8.370 nan 0.000 0.833 158 W N 0.865 122.208 121.300 0.073 0.000 2.289 158 W HA -0.208 4.451 4.660 -0.002 0.000 0.331 158 W C 2.915 179.466 176.519 0.054 0.000 1.283 158 W CA 2.105 59.495 57.345 0.075 0.000 1.252 158 W CB -1.699 27.839 29.460 0.131 0.000 1.153 158 W HN 0.238 nan 8.180 nan 0.000 0.467 159 V N 0.580 120.667 119.914 0.289 0.000 2.439 159 V HA -0.322 3.797 4.120 -0.001 0.000 0.253 159 V C 1.916 178.083 176.094 0.122 0.000 1.074 159 V CA 2.774 65.168 62.300 0.158 0.000 1.076 159 V CB -1.222 30.655 31.823 0.089 0.000 0.664 159 V HN 0.362 nan 8.190 nan 0.000 0.461 160 E N 2.445 122.721 120.200 0.127 0.000 2.107 160 E HA 0.039 4.388 4.350 -0.001 0.000 0.191 160 E C 1.878 178.534 176.600 0.093 0.000 0.982 160 E CA 1.693 58.151 56.400 0.097 0.000 0.809 160 E CB -0.760 28.994 29.700 0.090 0.000 0.756 160 E HN 0.656 nan 8.360 nan 0.000 0.459 161 A N 0.109 122.988 122.820 0.098 0.000 2.251 161 A HA 0.078 4.397 4.320 -0.001 0.000 0.209 161 A C 1.676 179.298 177.584 0.064 0.000 1.187 161 A CA 0.394 52.473 52.037 0.071 0.000 0.823 161 A CB -0.195 18.831 19.000 0.042 0.000 0.846 161 A HN 0.334 nan 8.150 nan 0.000 0.486 162 Q N -0.296 119.549 119.800 0.074 0.000 2.373 162 Q HA -0.028 4.311 4.340 -0.001 0.000 0.210 162 Q C 2.161 178.269 176.000 0.180 0.000 0.913 162 Q CA 1.110 56.948 55.803 0.057 0.000 0.911 162 Q CB -0.036 28.722 28.738 0.033 0.000 1.040 162 Q HN 0.707 nan 8.270 nan 0.000 0.521 163 S N 1.655 117.439 115.700 0.140 0.000 2.362 163 S HA -0.164 4.305 4.470 -0.001 0.000 0.221 163 S C 1.940 176.613 174.600 0.122 0.000 1.032 163 S CA 1.102 59.378 58.200 0.127 0.000 0.973 163 S CB -0.242 63.008 63.200 0.083 0.000 0.849 163 S HN 0.426 nan 8.310 nan 0.000 0.465 164 E N 1.031 121.297 120.200 0.110 0.000 2.333 164 E HA -0.185 4.164 4.350 -0.001 0.000 0.198 164 E C 1.664 178.326 176.600 0.103 0.000 1.007 164 E CA 1.164 57.614 56.400 0.084 0.000 0.845 164 E CB -0.892 28.851 29.700 0.071 0.000 0.766 164 E HN 0.830 nan 8.360 nan 0.000 0.507 165 Y N 0.884 121.190 120.300 0.010 0.000 2.314 165 Y HA 0.167 4.716 4.550 -0.002 0.000 0.294 165 Y C 1.628 177.532 175.900 0.006 0.000 1.119 165 Y CA 0.893 58.996 58.100 0.005 0.000 1.179 165 Y CB -0.054 38.408 38.460 0.002 0.000 1.025 165 Y HN 0.031 nan 8.280 nan 0.000 0.541 166 L N 0.454 121.686 121.223 0.015 0.000 2.201 166 L HA -0.170 4.169 4.340 -0.001 0.000 0.212 166 L C 2.303 179.088 176.870 -0.141 0.000 1.105 166 L CA 1.201 55.978 54.840 -0.104 0.000 0.775 166 L CB -0.654 41.455 42.059 0.084 0.000 0.913 166 L HN 0.420 nan 8.230 nan 0.000 0.440 167 L N -2.786 118.387 121.223 -0.083 0.000 2.095 167 L HA -0.072 4.267 4.340 -0.001 0.000 0.204 167 L C 2.257 179.065 176.870 -0.103 0.000 1.080 167 L CA 1.345 56.144 54.840 -0.069 0.000 0.759 167 L CB -1.146 40.896 42.059 -0.028 0.000 0.914 167 L HN -0.043 nan 8.230 nan 0.000 0.439 168 L N 0.180 121.323 121.223 -0.133 0.000 2.083 168 L HA -0.113 4.226 4.340 -0.001 0.000 0.209 168 L C 2.968 179.737 176.870 -0.170 0.000 1.083 168 L CA 1.932 56.695 54.840 -0.128 0.000 0.752 168 L CB -0.753 41.240 42.059 -0.110 0.000 0.899 168 L HN 0.540 nan 8.230 nan 0.000 0.433 169 R N -0.908 119.422 120.500 -0.284 0.000 2.115 169 R HA -0.085 4.255 4.340 -0.001 0.000 0.226 169 R C 1.767 177.980 176.300 -0.145 0.000 1.100 169 R CA 1.023 56.973 56.100 -0.249 0.000 0.980 169 R CB -0.136 29.932 30.300 -0.387 0.000 0.875 169 R HN 0.325 nan 8.270 nan 0.000 0.445 170 E N 0.328 120.451 120.200 -0.128 0.000 2.427 170 E HA -0.052 4.297 4.350 -0.001 0.000 0.196 170 E C 0.337 176.902 176.600 -0.057 0.000 1.028 170 E CA 1.268 57.622 56.400 -0.076 0.000 0.864 170 E CB 0.687 30.351 29.700 -0.061 0.000 0.813 170 E HN 0.468 nan 8.360 nan 0.000 0.514 171 T N -2.932 111.584 114.554 -0.063 0.000 3.448 171 T HA 0.384 4.733 4.350 -0.001 0.000 0.271 171 T C 0.814 175.490 174.700 -0.041 0.000 1.002 171 T CA -0.025 62.049 62.100 -0.044 0.000 0.995 171 T CB 0.363 69.208 68.868 -0.038 0.000 1.153 171 T HN 0.082 nan 8.240 nan 0.000 0.510 172 G N 0.737 109.512 108.800 -0.043 0.000 2.395 172 G HA2 0.034 3.993 3.960 -0.001 0.000 0.292 172 G HA3 0.034 3.993 3.960 -0.001 0.000 0.292 172 G C 0.453 175.332 174.900 -0.035 0.000 0.953 172 G CA -0.136 44.942 45.100 -0.036 0.000 1.207 172 G HN 1.094 nan 8.290 nan 0.000 0.503 173 G N -0.542 108.230 108.800 -0.047 0.000 2.477 173 G HA2 0.731 4.690 3.960 -0.001 0.000 0.304 173 G HA3 0.731 4.690 3.960 -0.001 0.000 0.304 173 G C 0.637 175.519 174.900 -0.029 0.000 1.175 173 G CA 0.354 45.430 45.100 -0.039 0.000 0.907 173 G HN 1.407 nan 8.290 nan 0.000 0.509 174 T N -1.193 113.350 114.554 -0.017 0.000 2.792 174 T HA 0.302 4.651 4.350 -0.001 0.000 0.286 174 T C 1.463 176.160 174.700 -0.004 0.000 0.970 174 T CA 0.381 62.476 62.100 -0.008 0.000 1.187 174 T CB 0.934 69.801 68.868 -0.002 0.000 0.915 174 T HN 0.977 nan 8.240 nan 0.000 0.529 175 A N 3.627 126.445 122.820 -0.003 0.000 2.248 175 A HA 0.083 4.403 4.320 -0.001 0.000 0.210 175 A C 2.335 179.929 177.584 0.016 0.000 1.174 175 A CA 1.215 53.255 52.037 0.006 0.000 0.750 175 A CB -0.958 18.044 19.000 0.004 0.000 0.780 175 A HN 1.091 nan 8.150 nan 0.000 0.478 176 T N -4.098 110.464 114.554 0.013 0.000 3.042 176 T HA 0.000 4.350 4.350 -0.001 0.000 0.245 176 T C 1.796 176.508 174.700 0.020 0.000 1.029 176 T CA 1.047 63.155 62.100 0.014 0.000 1.120 176 T CB -0.115 68.758 68.868 0.008 0.000 0.917 176 T HN 0.296 nan 8.240 nan 0.000 0.467 177 Q N 1.861 121.674 119.800 0.021 0.000 2.302 177 Q HA 0.066 4.405 4.340 -0.001 0.000 0.202 177 Q C 2.259 178.293 176.000 0.057 0.000 0.936 177 Q CA 1.826 57.646 55.803 0.029 0.000 0.886 177 Q CB -0.739 28.010 28.738 0.020 0.000 0.986 177 Q HN 0.727 nan 8.270 nan 0.000 0.487 178 T N -1.830 112.763 114.554 0.065 0.000 2.708 178 T HA -0.156 4.194 4.350 -0.001 0.000 0.266 178 T C 1.659 176.472 174.700 0.188 0.000 1.037 178 T CA 1.463 63.648 62.100 0.142 0.000 1.146 178 T CB -0.364 68.544 68.868 0.067 0.000 0.865 178 T HN 0.262 nan 8.240 nan 0.000 0.435 179 E N 1.653 121.915 120.200 0.103 0.000 2.285 179 E HA 0.160 4.509 4.350 -0.001 0.000 0.194 179 E C 2.259 178.876 176.600 0.028 0.000 0.997 179 E CA 0.985 57.423 56.400 0.063 0.000 0.845 179 E CB -0.931 28.793 29.700 0.040 0.000 0.782 179 E HN 0.615 nan 8.360 nan 0.000 0.491 180 G N 0.474 109.293 108.800 0.032 0.000 2.402 180 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.216 180 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.216 180 G C 1.571 176.475 174.900 0.006 0.000 1.162 180 G CA 0.679 45.787 45.100 0.013 0.000 0.777 180 G HN 0.344 nan 8.290 nan 0.000 0.539 181 I N -0.048 120.541 120.570 0.032 0.000 2.493 181 I HA 0.009 4.178 4.170 -0.001 0.000 0.254 181 I C 2.296 178.384 176.117 -0.049 0.000 1.160 181 I CA 0.574 61.886 61.300 0.018 0.000 1.445 181 I CB 0.085 38.138 38.000 0.089 0.000 1.086 181 I HN 0.032 nan 8.210 nan 0.000 0.433 182 L N -0.141 121.047 121.223 -0.059 0.000 2.156 182 L HA -0.103 4.236 4.340 -0.001 0.000 0.208 182 L C 2.364 179.161 176.870 -0.121 0.000 1.095 182 L CA 1.415 56.173 54.840 -0.135 0.000 0.770 182 L CB -0.855 41.129 42.059 -0.125 0.000 0.914 182 L HN 0.184 nan 8.230 nan 0.000 0.439 183 E N 0.254 120.408 120.200 -0.077 0.000 2.107 183 E HA -0.185 4.164 4.350 -0.001 0.000 0.191 183 E C 2.259 178.805 176.600 -0.090 0.000 0.982 183 E CA 0.772 57.128 56.400 -0.074 0.000 0.809 183 E CB 0.030 29.703 29.700 -0.045 0.000 0.756 183 E HN 0.523 nan 8.360 nan 0.000 0.459 184 R N 0.035 120.484 120.500 -0.085 0.000 2.280 184 R HA -0.040 4.299 4.340 -0.001 0.000 0.207 184 R C 1.982 178.188 176.300 -0.157 0.000 1.043 184 R CA 0.564 56.609 56.100 -0.091 0.000 1.006 184 R CB -0.207 30.057 30.300 -0.059 0.000 0.885 184 R HN 0.052 nan 8.270 nan 0.000 0.467 185 L N 1.076 122.175 121.223 -0.207 0.000 2.202 185 L HA 0.153 4.493 4.340 -0.001 0.000 0.205 185 L C 2.562 179.194 176.870 -0.396 0.000 1.083 185 L CA 1.341 55.972 54.840 -0.350 0.000 0.790 185 L CB -0.425 41.437 42.059 -0.330 0.000 0.942 185 L HN 0.096 nan 8.230 nan 0.000 0.452 186 R N -0.891 119.454 120.500 -0.258 0.000 2.120 186 R HA -0.166 4.173 4.340 -0.001 0.000 0.234 186 R C 2.140 178.333 176.300 -0.178 0.000 1.123 186 R CA 1.487 57.460 56.100 -0.211 0.000 0.975 186 R CB -0.303 29.914 30.300 -0.137 0.000 0.866 186 R HN 0.332 nan 8.270 nan 0.000 0.446 187 L N 0.439 121.572 121.223 -0.150 0.000 2.017 187 L HA -0.021 4.319 4.340 -0.001 0.000 0.208 187 L C 2.112 178.924 176.870 -0.097 0.000 1.073 187 L CA 2.211 56.992 54.840 -0.098 0.000 0.745 187 L CB -1.117 40.900 42.059 -0.071 0.000 0.894 187 L HN 0.151 nan 8.230 nan 0.000 0.432 188 A N -0.744 121.971 122.820 -0.175 0.000 1.948 188 A HA 0.140 4.459 4.320 -0.001 0.000 0.220 188 A C 1.976 179.565 177.584 0.009 0.000 1.177 188 A CA 1.999 53.962 52.037 -0.123 0.000 0.636 188 A CB -1.027 17.731 19.000 -0.404 0.000 0.815 188 A HN 1.119 nan 8.150 nan 0.000 0.449 189 G N -3.515 105.157 108.800 -0.214 0.000 2.321 189 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.174 189 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.174 189 G C 0.144 174.973 174.900 -0.118 0.000 1.008 189 G CA -0.031 45.069 45.100 0.001 0.000 0.739 189 G HN 0.229 nan 8.290 nan 0.000 0.502 190 M N 1.862 121.091 119.600 -0.619 0.000 2.284 190 M HA 0.171 4.650 4.480 -0.001 0.000 0.351 190 M C -1.950 174.239 176.300 -0.184 0.000 1.443 190 M CA -0.722 54.306 55.300 -0.452 0.000 1.031 190 M CB 0.277 32.561 32.600 -0.526 0.000 1.893 190 M HN -0.073 nan 8.290 nan 0.000 0.456 191 P HA -0.071 nan 4.420 nan 0.000 0.261 191 P C 0.341 177.605 177.300 -0.060 0.000 1.183 191 P CA 0.160 63.207 63.100 -0.088 0.000 0.761 191 P CB 0.346 31.988 31.700 -0.097 0.000 0.785 192 E N 2.939 123.105 120.200 -0.057 0.000 2.331 192 E HA -0.196 4.154 4.350 -0.001 0.000 0.199 192 E C 1.686 178.272 176.600 -0.022 0.000 1.008 192 E CA 1.224 57.595 56.400 -0.048 0.000 0.843 192 E CB -0.057 29.618 29.700 -0.043 0.000 0.761 192 E HN 0.487 nan 8.360 nan 0.000 0.507 193 A N 1.038 123.853 122.820 -0.008 0.000 1.854 193 A HA -0.170 4.149 4.320 -0.001 0.000 0.214 193 A C 1.813 179.422 177.584 0.041 0.000 1.192 193 A CA 1.688 53.734 52.037 0.016 0.000 0.611 193 A CB -0.371 18.641 19.000 0.021 0.000 0.832 193 A HN 0.099 nan 8.150 nan 0.000 0.442 194 D N -0.291 120.152 120.400 0.072 0.000 2.219 194 D HA -0.029 4.610 4.640 -0.001 0.000 0.205 194 D C 1.669 178.012 176.300 0.072 0.000 0.970 194 D CA 0.539 54.616 54.000 0.128 0.000 0.851 194 D CB -0.193 40.782 40.800 0.292 0.000 0.943 194 D HN 0.474 nan 8.370 nan 0.000 0.488 195 I N 0.461 121.041 120.570 0.016 0.000 2.226 195 I HA -0.230 3.939 4.170 -0.001 0.000 0.245 195 I C 2.197 178.298 176.117 -0.028 0.000 1.100 195 I CA 1.009 62.282 61.300 -0.045 0.000 1.374 195 I CB 0.000 37.949 38.000 -0.086 0.000 1.057 195 I HN -0.042 nan 8.210 nan 0.000 0.413 196 R N 0.235 120.732 120.500 -0.005 0.000 2.189 196 R HA -0.108 4.232 4.340 -0.001 0.000 0.223 196 R C 2.214 178.529 176.300 0.024 0.000 1.092 196 R CA 0.920 57.025 56.100 0.008 0.000 0.989 196 R CB -0.128 30.178 30.300 0.010 0.000 0.876 196 R HN 0.407 nan 8.270 nan 0.000 0.457 197 R N -0.231 120.289 120.500 0.033 0.000 2.173 197 R HA 0.004 4.343 4.340 -0.001 0.000 0.208 197 R C 1.992 178.320 176.300 0.048 0.000 1.035 197 R CA 0.342 56.468 56.100 0.044 0.000 1.004 197 R CB -0.127 30.207 30.300 0.057 0.000 0.917 197 R HN 0.068 nan 8.270 nan 0.000 0.462 198 L N 1.038 122.283 121.223 0.037 0.000 2.156 198 L HA -0.059 4.281 4.340 -0.001 0.000 0.208 198 L C 1.828 178.753 176.870 0.091 0.000 1.095 198 L CA 1.399 56.265 54.840 0.042 0.000 0.770 198 L CB -0.016 42.022 42.059 -0.036 0.000 0.914 198 L HN 0.075 nan 8.230 nan 0.000 0.439 199 I N -0.589 120.024 120.570 0.073 0.000 2.439 199 I HA -0.132 4.037 4.170 -0.001 0.000 0.251 199 I C 2.443 178.616 176.117 0.092 0.000 1.139 199 I CA 1.216 62.588 61.300 0.120 0.000 1.438 199 I CB -1.909 36.141 38.000 0.083 0.000 1.085 199 I HN 0.310 nan 8.210 nan 0.000 0.427 200 A N 1.477 124.336 122.820 0.065 0.000 1.843 200 A HA -0.101 4.218 4.320 -0.001 0.000 0.213 200 A C 2.332 179.946 177.584 0.050 0.000 1.239 200 A CA 1.987 54.054 52.037 0.050 0.000 0.606 200 A CB -1.074 17.949 19.000 0.039 0.000 0.903 200 A HN 0.442 nan 8.150 nan 0.000 0.455 201 T N -3.320 111.264 114.554 0.050 0.000 3.067 201 T HA 0.103 4.452 4.350 -0.001 0.000 0.257 201 T C 1.053 175.786 174.700 0.054 0.000 1.105 201 T CA 1.146 63.273 62.100 0.045 0.000 1.104 201 T CB 0.066 68.957 68.868 0.039 0.000 0.925 201 T HN 0.702 nan 8.240 nan 0.000 0.498 202 Q N 0.289 120.135 119.800 0.077 0.000 2.305 202 Q HA -0.268 4.071 4.340 -0.001 0.000 0.203 202 Q C 0.896 176.945 176.000 0.082 0.000 0.663 202 Q CA 1.340 57.203 55.803 0.101 0.000 1.389 202 Q CB -1.230 27.555 28.738 0.078 0.000 1.566 202 Q HN 0.464 nan 8.270 nan 0.000 0.755 203 K N 1.293 121.730 120.400 0.061 0.000 2.546 203 K HA 0.121 4.440 4.320 -0.001 0.000 0.198 203 K C 0.113 176.739 176.600 0.044 0.000 1.028 203 K CA 0.512 56.826 56.287 0.045 0.000 1.150 203 K CB -0.177 32.343 32.500 0.033 0.000 0.876 203 K HN 0.436 nan 8.250 nan 0.000 0.508 204 I N 1.143 121.749 120.570 0.061 0.000 8.905 204 I HA -0.258 3.911 4.170 -0.001 0.000 0.126 204 I C -0.681 175.457 176.117 0.035 0.000 1.862 204 I CA 0.590 61.923 61.300 0.055 0.000 2.041 204 I CB -0.124 37.902 38.000 0.044 0.000 3.915 204 I HN 0.311 nan 8.210 nan 0.000 0.170 205 Q N 5.698 125.523 119.800 0.041 0.000 2.421 205 Q HA 0.246 4.586 4.340 -0.001 0.000 0.242 205 Q C 0.898 176.843 176.000 -0.090 0.000 1.024 205 Q CA 0.234 56.049 55.803 0.020 0.000 0.891 205 Q CB 1.282 30.090 28.738 0.118 0.000 1.222 205 Q HN 0.837 nan 8.270 nan 0.000 0.483 206 T N 2.416 116.883 114.554 -0.145 0.000 2.558 206 T HA -0.021 4.329 4.350 -0.001 0.000 0.247 206 T C 0.629 175.056 174.700 -0.455 0.000 1.146 206 T CA 1.031 63.008 62.100 -0.206 0.000 1.289 206 T CB 0.360 69.150 68.868 -0.131 0.000 0.905 206 T HN 0.683 nan 8.240 nan 0.000 0.397 207 R N -0.035 120.192 120.500 -0.455 0.000 2.807 207 R HA 0.609 4.948 4.340 -0.001 0.000 0.276 207 R C -1.545 174.489 176.300 -0.444 0.000 0.979 207 R CA -0.854 54.885 56.100 -0.602 0.000 0.928 207 R CB 1.353 31.516 30.300 -0.228 0.000 1.191 207 R HN 0.425 nan 8.270 nan 0.000 0.471 208 F N -1.291 118.691 119.950 0.053 0.000 2.599 208 F HA 0.462 4.989 4.527 -0.000 0.000 0.311 208 F C -0.273 175.567 175.800 0.067 0.000 1.076 208 F CA -1.644 56.396 58.000 0.066 0.000 0.937 208 F CB 1.315 40.364 39.000 0.082 0.000 1.282 208 F HN 0.577 nan 8.300 nan 0.000 0.460 209 T N 1.241 115.976 114.554 0.301 0.000 2.728 209 T HA 0.600 4.949 4.350 -0.001 0.000 0.296 209 T C -0.552 174.211 174.700 0.105 0.000 0.940 209 T CA -0.623 61.598 62.100 0.201 0.000 1.013 209 T CB 0.343 69.321 68.868 0.183 0.000 0.912 209 T HN 0.847 nan 8.240 nan 0.000 0.484 210 L N 2.036 123.301 121.223 0.071 0.000 2.350 210 L HA 0.702 5.041 4.340 -0.001 0.000 0.275 210 L C -0.382 176.464 176.870 -0.039 0.000 1.099 210 L CA -0.390 54.453 54.840 0.005 0.000 0.808 210 L CB 0.574 42.635 42.059 0.003 0.000 1.149 210 L HN 0.624 nan 8.230 nan 0.000 0.442 211 K N 3.372 123.741 120.400 -0.051 0.000 2.259 211 K HA 0.795 5.114 4.320 -0.001 0.000 0.252 211 K C -0.565 175.997 176.600 -0.064 0.000 0.936 211 K CA -0.813 55.426 56.287 -0.079 0.000 0.810 211 K CB 1.932 34.388 32.500 -0.073 0.000 1.143 211 K HN 0.907 nan 8.250 nan 0.000 0.427 212 A N 3.323 126.096 122.820 -0.078 0.000 2.462 212 A HA 0.196 4.515 4.320 -0.001 0.000 0.243 212 A C -1.803 175.746 177.584 -0.059 0.000 1.076 212 A CA -0.943 51.054 52.037 -0.066 0.000 0.773 212 A CB -0.096 18.851 19.000 -0.088 0.000 1.010 212 A HN 0.483 nan 8.150 nan 0.000 0.493 213 P HA 0.007 nan 4.420 nan 0.000 0.214 213 P C 0.429 177.696 177.300 -0.054 0.000 1.162 213 P CA 0.925 63.997 63.100 -0.046 0.000 0.871 213 P CB -0.153 31.524 31.700 -0.039 0.000 0.783 214 I N -3.628 116.906 120.570 -0.060 0.000 3.062 214 I HA 0.473 4.642 4.170 -0.001 0.000 0.316 214 I C -0.309 175.763 176.117 -0.074 0.000 1.041 214 I CA -1.245 60.014 61.300 -0.067 0.000 1.069 214 I CB 0.693 38.647 38.000 -0.076 0.000 1.300 214 I HN -0.319 nan 8.210 nan 0.000 0.518 215 D N 0.665 121.021 120.400 -0.074 0.000 2.358 215 D HA 0.687 5.327 4.640 -0.001 0.000 0.244 215 D C 0.433 176.673 176.300 -0.100 0.000 1.163 215 D CA 0.459 54.412 54.000 -0.079 0.000 0.945 215 D CB 1.344 42.104 40.800 -0.066 0.000 1.152 215 D HN 1.048 nan 8.370 nan 0.000 0.451 216 G N -1.601 107.135 108.800 -0.106 0.000 2.366 216 G HA2 0.284 4.243 3.960 -0.001 0.000 0.190 216 G HA3 0.284 4.243 3.960 -0.001 0.000 0.190 216 G C -1.787 173.034 174.900 -0.133 0.000 1.299 216 G CA -0.416 44.601 45.100 -0.138 0.000 1.056 216 G HN 0.520 nan 8.290 nan 0.000 0.468 217 V N 0.725 120.545 119.914 -0.155 0.000 2.668 217 V HA 0.463 4.582 4.120 -0.001 0.000 0.304 217 V C -0.349 175.672 176.094 -0.121 0.000 1.071 217 V CA -0.534 61.690 62.300 -0.126 0.000 0.894 217 V CB 1.511 33.270 31.823 -0.107 0.000 1.008 217 V HN 0.714 nan 8.190 nan 0.000 0.425 218 I N 3.960 124.454 120.570 -0.126 0.000 2.664 218 I HA 0.196 4.366 4.170 -0.001 0.000 0.284 218 I C 1.021 177.101 176.117 -0.061 0.000 1.154 218 I CA 0.886 62.108 61.300 -0.131 0.000 1.402 218 I CB 0.699 38.555 38.000 -0.240 0.000 1.395 218 I HN 0.793 nan 8.210 nan 0.000 0.545 219 T N 4.506 119.038 114.554 -0.037 0.000 2.947 219 T HA 0.781 5.131 4.350 -0.001 0.000 0.337 219 T C -0.086 174.627 174.700 0.023 0.000 1.139 219 T CA -0.051 62.046 62.100 -0.004 0.000 0.992 219 T CB 0.248 69.108 68.868 -0.013 0.000 1.043 219 T HN 1.406 nan 8.240 nan 0.000 0.498 220 A N 2.678 125.532 122.820 0.056 0.000 2.435 220 A HA 0.249 4.568 4.320 -0.001 0.000 0.686 220 A C -0.326 177.380 177.584 0.204 0.000 0.138 220 A CA 0.107 52.200 52.037 0.094 0.000 0.024 220 A CB -1.574 17.455 19.000 0.048 0.000 3.974 220 A HN 1.520 nan 8.150 nan 0.000 0.548 221 F N 1.187 121.132 119.950 -0.009 0.000 1.900 221 F HA 0.414 4.940 4.527 -0.002 0.000 0.229 221 F C 0.991 176.790 175.800 -0.001 0.000 1.278 221 F CA 1.853 59.850 58.000 -0.004 0.000 1.213 221 F CB -0.505 38.495 39.000 0.001 0.000 2.058 221 F HN 1.367 nan 8.300 nan 0.000 0.110 222 D N 0.282 120.574 120.400 -0.179 0.000 4.235 222 D HA -0.248 4.392 4.640 -0.001 0.000 0.139 222 D C -1.029 175.002 176.300 -0.449 0.000 0.834 222 D CA 2.434 56.290 54.000 -0.240 0.000 1.081 222 D CB -1.157 39.576 40.800 -0.111 0.000 0.567 222 D HN 1.173 nan 8.370 nan 0.000 0.575 223 L N -3.450 117.602 121.223 -0.284 0.000 0.606 223 L HA -0.015 4.324 4.340 -0.001 0.000 0.356 223 L C -0.523 176.235 176.870 -0.186 0.000 1.005 223 L CA 1.301 55.997 54.840 -0.240 0.000 1.222 223 L CB -0.906 40.979 42.059 -0.291 0.000 0.015 223 L HN 0.654 nan 8.230 nan 0.000 0.100 224 R N 1.325 121.757 120.500 -0.113 0.000 2.854 224 R HA 0.920 5.260 4.340 -0.001 0.000 0.271 224 R C -0.313 175.960 176.300 -0.046 0.000 0.994 224 R CA -0.240 55.817 56.100 -0.072 0.000 0.945 224 R CB 1.861 32.132 30.300 -0.048 0.000 1.194 224 R HN 1.230 nan 8.270 nan 0.000 0.476 225 A N 0.704 123.508 122.820 -0.027 0.000 2.520 225 A HA 0.448 4.768 4.320 -0.001 0.000 0.245 225 A C 0.841 178.430 177.584 0.008 0.000 1.072 225 A CA 0.916 52.948 52.037 -0.007 0.000 0.761 225 A CB -0.589 18.405 19.000 -0.009 0.000 1.004 225 A HN 0.991 nan 8.150 nan 0.000 0.499 226 G N 1.670 110.491 108.800 0.035 0.000 2.164 226 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.212 226 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.212 226 G C -0.078 174.877 174.900 0.092 0.000 1.031 226 G CA 0.244 45.387 45.100 0.072 0.000 0.730 226 G HN 0.732 nan 8.290 nan 0.000 0.501 227 M N 0.682 120.316 119.600 0.056 0.000 2.444 227 M HA 0.417 4.896 4.480 -0.001 0.000 0.319 227 M C 0.386 176.665 176.300 -0.036 0.000 1.183 227 M CA -1.016 54.294 55.300 0.017 0.000 1.032 227 M CB 1.116 33.695 32.600 -0.035 0.000 1.569 227 M HN 0.355 nan 8.290 nan 0.000 0.468 228 N N 1.978 120.592 118.700 -0.142 0.000 2.439 228 N HA 0.289 5.028 4.740 -0.001 0.000 0.249 228 N C -1.484 173.846 175.510 -0.300 0.000 1.003 228 N CA -0.330 52.457 53.050 -0.438 0.000 0.942 228 N CB 0.588 38.736 38.487 -0.566 0.000 1.115 228 N HN 0.420 nan 8.380 nan 0.000 0.505 229 I N 1.971 122.363 120.570 -0.297 0.000 2.379 229 I HA 0.230 4.400 4.170 -0.001 0.000 0.290 229 I C 0.929 176.933 176.117 -0.188 0.000 1.063 229 I CA -0.578 60.609 61.300 -0.189 0.000 1.351 229 I CB 0.430 38.344 38.000 -0.142 0.000 1.410 229 I HN 0.659 nan 8.210 nan 0.000 0.505 230 A N 7.655 130.395 122.820 -0.133 0.000 2.386 230 A HA 0.409 4.728 4.320 -0.001 0.000 0.248 230 A C 1.105 178.643 177.584 -0.077 0.000 1.082 230 A CA -0.243 51.730 52.037 -0.105 0.000 0.789 230 A CB 0.163 19.118 19.000 -0.075 0.000 1.025 230 A HN 0.870 nan 8.150 nan 0.000 0.490 231 K N 0.473 120.837 120.400 -0.059 0.000 2.161 231 K HA -0.304 4.016 4.320 -0.001 0.000 0.101 231 K C -0.673 175.913 176.600 -0.024 0.000 1.202 231 K CA 2.151 58.422 56.287 -0.027 0.000 0.563 231 K CB -1.692 30.800 32.500 -0.014 0.000 0.497 231 K HN 0.737 nan 8.250 nan 0.000 1.028 232 D N 2.126 122.520 120.400 -0.010 0.000 2.359 232 D HA 0.415 5.054 4.640 -0.001 0.000 0.230 232 D C -0.527 175.764 176.300 -0.015 0.000 1.118 232 D CA -0.554 53.442 54.000 -0.007 0.000 0.844 232 D CB 0.823 41.628 40.800 0.008 0.000 1.059 232 D HN 0.346 nan 8.370 nan 0.000 0.493 233 N N 0.413 119.099 118.700 -0.023 0.000 2.402 233 N HA 0.374 5.114 4.740 -0.001 0.000 0.294 233 N C -1.177 174.324 175.510 -0.014 0.000 1.203 233 N CA -0.910 52.125 53.050 -0.025 0.000 0.838 233 N CB 2.221 40.683 38.487 -0.042 0.000 1.306 233 N HN 0.287 nan 8.380 nan 0.000 0.510 234 V N 2.119 122.026 119.914 -0.011 0.000 2.408 234 V HA 0.149 4.269 4.120 -0.001 0.000 0.267 234 V C 1.125 177.223 176.094 0.006 0.000 1.047 234 V CA -0.118 62.183 62.300 0.002 0.000 0.937 234 V CB 0.364 32.187 31.823 -0.000 0.000 0.999 234 V HN 0.531 nan 8.190 nan 0.000 0.472 235 V N 4.538 124.468 119.914 0.027 0.000 3.307 235 V HA 0.756 4.876 4.120 -0.001 0.000 0.253 235 V C 0.602 176.776 176.094 0.133 0.000 1.149 235 V CA 0.917 63.242 62.300 0.042 0.000 1.112 235 V CB -0.082 31.771 31.823 0.050 0.000 0.777 235 V HN 1.460 nan 8.190 nan 0.000 0.464 236 A N -0.355 122.545 122.820 0.133 0.000 2.594 236 A HA 0.691 5.010 4.320 -0.001 0.000 0.296 236 A C -1.069 176.567 177.584 0.086 0.000 1.056 236 A CA -0.753 51.396 52.037 0.186 0.000 0.693 236 A CB 1.428 20.554 19.000 0.210 0.000 1.278 236 A HN 0.174 nan 8.150 nan 0.000 0.408 237 K N 1.712 122.151 120.400 0.066 0.000 2.376 237 K HA 0.681 5.000 4.320 -0.001 0.000 0.257 237 K C -1.220 175.378 176.600 -0.003 0.000 0.939 237 K CA -0.346 55.956 56.287 0.024 0.000 0.809 237 K CB 1.560 34.059 32.500 -0.003 0.000 1.121 237 K HN 0.655 nan 8.250 nan 0.000 0.425 238 I N 1.715 122.281 120.570 -0.006 0.000 2.750 238 I HA 0.297 4.466 4.170 -0.001 0.000 0.308 238 I C -0.195 175.887 176.117 -0.060 0.000 1.016 238 I CA -1.051 60.218 61.300 -0.052 0.000 1.098 238 I CB 1.959 39.918 38.000 -0.069 0.000 1.279 238 I HN 0.276 nan 8.210 nan 0.000 0.454 239 Q N 2.767 122.485 119.800 -0.136 0.000 2.327 239 Q HA 0.398 4.737 4.340 -0.001 0.000 0.270 239 Q C -0.258 175.550 176.000 -0.321 0.000 1.022 239 Q CA -0.394 55.268 55.803 -0.234 0.000 0.773 239 Q CB 2.225 30.764 28.738 -0.332 0.000 1.251 239 Q HN 0.895 nan 8.270 nan 0.000 0.457 240 G N 1.999 110.632 108.800 -0.279 0.000 2.569 240 G HA2 0.392 4.351 3.960 -0.001 0.000 0.249 240 G HA3 0.392 4.351 3.960 -0.001 0.000 0.249 240 G C 0.306 174.981 174.900 -0.374 0.000 1.216 240 G CA -0.255 44.689 45.100 -0.259 0.000 0.845 240 G HN 0.634 nan 8.290 nan 0.000 0.568 241 M N -0.343 119.110 119.600 -0.246 0.000 3.615 241 M HA 0.306 4.785 4.480 -0.001 0.000 0.484 241 M C 0.336 176.614 176.300 -0.036 0.000 1.686 241 M CA -0.314 54.891 55.300 -0.159 0.000 0.713 241 M CB 1.186 33.706 32.600 -0.134 0.000 1.471 241 M HN 0.387 nan 8.290 nan 0.000 0.538 242 D N 1.868 122.238 120.400 -0.050 0.000 2.194 242 D HA 0.158 4.798 4.640 -0.001 0.000 0.204 242 D C -1.884 174.429 176.300 0.021 0.000 0.964 242 D CA 0.803 54.796 54.000 -0.011 0.000 0.846 242 D CB -0.096 40.690 40.800 -0.022 0.000 0.962 242 D HN 0.292 nan 8.370 nan 0.000 0.490 243 P HA 0.301 nan 4.420 nan 0.000 0.295 243 P C -0.991 176.358 177.300 0.083 0.000 1.319 243 P CA -0.674 62.471 63.100 0.075 0.000 0.940 243 P CB 2.888 34.643 31.700 0.091 0.000 1.192 244 V N 1.243 121.263 119.914 0.178 0.000 3.155 244 V HA 0.596 4.716 4.120 -0.001 0.000 0.313 244 V C -1.413 174.955 176.094 0.457 0.000 1.162 244 V CA -0.469 61.960 62.300 0.214 0.000 1.048 244 V CB 2.280 34.200 31.823 0.162 0.000 1.092 244 V HN 0.475 nan 8.190 nan 0.000 0.447 245 W N 2.800 124.120 121.300 0.033 0.000 2.237 245 W HA 0.482 5.142 4.660 -0.001 0.000 0.289 245 W C -0.302 176.196 176.519 -0.035 0.000 0.988 245 W CA -1.029 56.321 57.345 0.008 0.000 1.671 245 W CB 1.152 30.623 29.460 0.019 0.000 1.746 245 W HN 0.464 nan 8.180 nan 0.000 0.380 246 V N 0.778 120.747 119.914 0.091 0.000 2.637 246 V HA 0.746 4.866 4.120 -0.001 0.000 0.296 246 V C 0.104 176.143 176.094 -0.091 0.000 1.046 246 V CA 0.326 62.614 62.300 -0.020 0.000 1.066 246 V CB 0.936 32.727 31.823 -0.053 0.000 0.968 246 V HN 0.235 nan 8.190 nan 0.000 0.483 247 T N 5.072 119.567 114.554 -0.098 0.000 2.985 247 T HA 0.723 5.072 4.350 -0.001 0.000 0.315 247 T C 0.013 174.640 174.700 -0.123 0.000 1.001 247 T CA 0.254 62.277 62.100 -0.127 0.000 1.016 247 T CB 1.073 69.882 68.868 -0.099 0.000 0.993 247 T HN 1.342 nan 8.240 nan 0.000 0.454 248 A N 2.504 125.230 122.820 -0.157 0.000 2.279 248 A HA 0.872 5.191 4.320 -0.001 0.000 0.303 248 A C 0.378 177.888 177.584 -0.123 0.000 1.108 248 A CA -0.807 51.151 52.037 -0.132 0.000 0.830 248 A CB 0.480 19.372 19.000 -0.179 0.000 1.106 248 A HN 0.974 nan 8.150 nan 0.000 0.493 249 A N 2.110 124.905 122.820 -0.041 0.000 2.294 249 A HA 0.577 4.896 4.320 -0.001 0.000 0.316 249 A C -0.274 177.288 177.584 -0.038 0.000 1.359 249 A CA -0.318 51.713 52.037 -0.010 0.000 0.956 249 A CB -0.272 18.764 19.000 0.060 0.000 1.155 249 A HN 0.580 nan 8.150 nan 0.000 0.544 250 I N 3.474 123.956 120.570 -0.146 0.000 2.437 250 I HA 0.371 4.540 4.170 -0.001 0.000 0.298 250 I C -2.405 173.693 176.117 -0.033 0.000 0.984 250 I CA -2.637 58.522 61.300 -0.236 0.000 1.214 250 I CB 1.488 39.304 38.000 -0.306 0.000 1.365 250 I HN 0.309 nan 8.210 nan 0.000 0.469 251 P HA 0.119 nan 4.420 nan 0.000 0.271 251 P C 0.562 177.890 177.300 0.046 0.000 1.216 251 P CA -0.191 62.952 63.100 0.072 0.000 0.771 251 P CB 0.427 32.195 31.700 0.113 0.000 0.864 252 E N 1.631 121.867 120.200 0.061 0.000 2.153 252 E HA -0.190 4.159 4.350 -0.001 0.000 0.194 252 E C 1.184 177.862 176.600 0.129 0.000 0.988 252 E CA 1.545 57.993 56.400 0.080 0.000 0.811 252 E CB -0.623 29.122 29.700 0.075 0.000 0.746 252 E HN 0.390 nan 8.360 nan 0.000 0.466 253 S N 0.597 116.374 115.700 0.129 0.000 2.474 253 S HA -0.062 4.408 4.470 -0.001 0.000 0.235 253 S C 1.850 176.566 174.600 0.193 0.000 0.997 253 S CA 0.796 59.111 58.200 0.191 0.000 0.949 253 S CB -0.197 63.092 63.200 0.149 0.000 0.766 253 S HN 0.443 nan 8.310 nan 0.000 0.517 254 I N 0.232 120.837 120.570 0.057 0.000 4.018 254 I HA 0.357 4.527 4.170 -0.001 0.000 0.337 254 I C 2.020 178.023 176.117 -0.190 0.000 1.327 254 I CA 0.203 61.439 61.300 -0.107 0.000 1.100 254 I CB -0.036 37.933 38.000 -0.052 0.000 1.025 254 I HN 0.321 nan 8.210 nan 0.000 0.396 255 A N 2.174 124.970 122.820 -0.039 0.000 1.873 255 A HA -0.192 4.127 4.320 -0.001 0.000 0.215 255 A C 1.996 179.591 177.584 0.017 0.000 1.186 255 A CA 1.445 53.480 52.037 -0.004 0.000 0.616 255 A CB -0.998 18.054 19.000 0.086 0.000 0.823 255 A HN 0.786 nan 8.150 nan 0.000 0.442 256 W N -1.073 120.251 121.300 0.041 0.000 2.747 256 W HA 0.024 4.683 4.660 -0.001 0.000 0.244 256 W C 0.567 177.110 176.519 0.041 0.000 1.270 256 W CA 0.307 57.682 57.345 0.050 0.000 1.333 256 W CB -0.519 28.966 29.460 0.042 0.000 1.139 256 W HN 0.213 nan 8.180 nan 0.000 0.662 257 L N 1.079 121.943 121.223 -0.598 0.000 2.616 257 L HA 0.055 4.394 4.340 -0.001 0.000 0.229 257 L C 2.107 178.777 176.870 -0.333 0.000 1.110 257 L CA 0.300 54.712 54.840 -0.713 0.000 0.884 257 L CB -0.623 40.944 42.059 -0.820 0.000 1.115 257 L HN -0.174 nan 8.230 nan 0.000 0.481 258 V N 0.169 119.950 119.914 -0.221 0.000 2.239 258 V HA -0.183 3.937 4.120 -0.001 0.000 0.236 258 V C 1.839 177.812 176.094 -0.201 0.000 1.040 258 V CA 1.607 63.752 62.300 -0.258 0.000 0.996 258 V CB -0.385 31.237 31.823 -0.334 0.000 0.640 258 V HN 0.390 nan 8.190 nan 0.000 0.456 259 K N -0.770 119.644 120.400 0.023 0.000 10.645 259 K HA -0.248 4.072 4.320 -0.001 0.000 0.521 259 K C 0.285 177.022 176.600 0.229 0.000 0.402 259 K CA 1.858 58.237 56.287 0.153 0.000 1.938 259 K CB -1.098 31.421 32.500 0.030 0.000 0.754 259 K HN 0.581 nan 8.250 nan 0.000 1.186 260 D N -0.584 119.793 120.400 -0.039 0.000 2.375 260 D HA 0.566 5.205 4.640 -0.001 0.000 0.247 260 D C 0.107 176.204 176.300 -0.339 0.000 1.061 260 D CA 0.383 54.366 54.000 -0.027 0.000 0.834 260 D CB 1.740 42.511 40.800 -0.049 0.000 1.247 260 D HN 0.403 nan 8.370 nan 0.000 0.489 261 A N 2.358 125.111 122.820 -0.111 0.000 2.277 261 A HA -0.024 4.295 4.320 -0.001 0.000 0.208 261 A C 1.531 178.962 177.584 -0.254 0.000 1.202 261 A CA 1.098 52.945 52.037 -0.316 0.000 0.762 261 A CB -0.642 18.602 19.000 0.407 0.000 0.770 261 A HN 0.484 nan 8.150 nan 0.000 0.487 262 S N -1.419 114.135 115.700 -0.243 0.000 2.556 262 S HA 0.016 4.485 4.470 -0.001 0.000 0.216 262 S C 1.252 175.743 174.600 -0.180 0.000 0.970 262 S CA 0.306 58.426 58.200 -0.134 0.000 0.912 262 S CB -0.118 63.037 63.200 -0.075 0.000 0.790 262 S HN 0.699 nan 8.310 nan 0.000 0.504 263 Q N 0.224 119.804 119.800 -0.366 0.000 2.392 263 Q HA 0.312 4.651 4.340 -0.001 0.000 0.203 263 Q C -0.522 175.388 176.000 -0.150 0.000 0.917 263 Q CA 0.087 55.719 55.803 -0.285 0.000 0.939 263 Q CB -0.026 28.491 28.738 -0.368 0.000 1.063 263 Q HN 0.623 nan 8.270 nan 0.000 0.516 264 F N 1.502 121.385 119.950 -0.112 0.000 2.445 264 F HA 0.212 4.738 4.527 -0.001 0.000 0.359 264 F C 0.191 175.972 175.800 -0.032 0.000 1.101 264 F CA -0.524 57.419 58.000 -0.095 0.000 1.177 264 F CB 1.072 39.997 39.000 -0.125 0.000 1.110 264 F HN -0.213 nan 8.300 nan 0.000 0.522 265 T N 5.553 120.222 114.554 0.191 0.000 2.833 265 T HA 0.317 4.666 4.350 -0.001 0.000 0.297 265 T C -0.637 174.132 174.700 0.115 0.000 1.015 265 T CA -0.561 61.615 62.100 0.126 0.000 0.963 265 T CB 1.124 70.048 68.868 0.093 0.000 0.955 265 T HN 0.157 nan 8.240 nan 0.000 0.449 266 L N 3.275 124.555 121.223 0.095 0.000 2.295 266 L HA 0.765 5.105 4.340 -0.001 0.000 0.285 266 L C 0.252 177.175 176.870 0.088 0.000 1.035 266 L CA 0.085 54.971 54.840 0.077 0.000 0.806 266 L CB 1.427 43.513 42.059 0.045 0.000 1.214 266 L HN 0.746 nan 8.230 nan 0.000 0.426 267 T N 3.807 118.429 114.554 0.113 0.000 2.956 267 T HA 0.647 4.996 4.350 -0.001 0.000 0.312 267 T C -1.295 173.493 174.700 0.148 0.000 1.151 267 T CA -0.453 61.720 62.100 0.123 0.000 1.024 267 T CB 1.295 70.242 68.868 0.132 0.000 1.140 267 T HN 0.382 nan 8.240 nan 0.000 0.473 268 V N 4.086 124.068 119.914 0.115 0.000 2.540 268 V HA 0.615 4.734 4.120 -0.001 0.000 0.302 268 V C -2.082 174.084 176.094 0.120 0.000 1.035 268 V CA -2.205 60.156 62.300 0.102 0.000 0.873 268 V CB 1.263 33.115 31.823 0.047 0.000 0.992 268 V HN 0.603 nan 8.190 nan 0.000 0.428 269 P HA -0.085 nan 4.420 nan 0.000 0.214 269 P C 0.858 178.205 177.300 0.079 0.000 1.163 269 P CA 2.291 65.475 63.100 0.140 0.000 0.889 269 P CB 0.092 31.891 31.700 0.166 0.000 0.790 270 A N -0.772 122.082 122.820 0.057 0.000 2.327 270 A HA 0.259 4.579 4.320 -0.001 0.000 0.255 270 A C 0.495 178.101 177.584 0.036 0.000 1.099 270 A CA -0.311 51.749 52.037 0.037 0.000 0.801 270 A CB -0.640 18.373 19.000 0.022 0.000 1.062 270 A HN 0.094 nan 8.150 nan 0.000 0.496 271 R N -0.467 120.051 120.500 0.029 0.000 2.470 271 R HA -0.157 4.182 4.340 -0.001 0.000 0.230 271 R C -1.849 174.471 176.300 0.034 0.000 0.785 271 R CA 0.855 56.972 56.100 0.028 0.000 0.566 271 R CB -0.793 29.522 30.300 0.024 0.000 1.388 271 R HN 0.586 nan 8.270 nan 0.000 0.534 272 P HA -0.053 nan 4.420 nan 0.000 0.222 272 P C 0.615 177.936 177.300 0.036 0.000 1.157 272 P CA 1.304 64.428 63.100 0.041 0.000 0.816 272 P CB 0.073 31.796 31.700 0.039 0.000 0.813 273 D N 0.515 120.933 120.400 0.030 0.000 2.149 273 D HA -0.192 4.448 4.640 -0.001 0.000 0.198 273 D C 1.026 177.344 176.300 0.029 0.000 0.990 273 D CA 0.892 54.908 54.000 0.027 0.000 0.839 273 D CB -0.886 39.927 40.800 0.022 0.000 0.948 273 D HN 0.083 nan 8.370 nan 0.000 0.460 274 K N 0.246 120.664 120.400 0.031 0.000 2.484 274 K HA 0.026 4.345 4.320 -0.001 0.000 0.280 274 K C -0.710 175.913 176.600 0.038 0.000 1.013 274 K CA 0.246 56.553 56.287 0.033 0.000 1.029 274 K CB 0.319 32.839 32.500 0.034 0.000 0.902 274 K HN 0.052 nan 8.250 nan 0.000 0.481 275 T N 6.087 120.664 114.554 0.038 0.000 2.811 275 T HA 0.231 4.580 4.350 -0.001 0.000 0.309 275 T C 0.264 174.993 174.700 0.048 0.000 1.005 275 T CA -0.690 61.435 62.100 0.042 0.000 0.955 275 T CB 0.045 68.936 68.868 0.038 0.000 0.970 275 T HN 0.394 nan 8.240 nan 0.000 0.496 276 L N 3.444 124.699 121.223 0.053 0.000 2.490 276 L HA 0.226 4.565 4.340 -0.001 0.000 0.274 276 L C 0.514 177.423 176.870 0.066 0.000 1.201 276 L CA 0.095 54.969 54.840 0.058 0.000 0.869 276 L CB -0.234 41.859 42.059 0.056 0.000 1.123 276 L HN 0.562 nan 8.230 nan 0.000 0.484 277 T N 3.577 118.174 114.554 0.071 0.000 2.791 277 T HA 0.481 4.830 4.350 -0.001 0.000 0.288 277 T C -0.012 174.748 174.700 0.100 0.000 0.999 277 T CA -0.430 61.719 62.100 0.082 0.000 0.952 277 T CB 1.074 69.985 68.868 0.072 0.000 0.938 277 T HN 0.250 nan 8.240 nan 0.000 0.444 278 I N 3.970 124.616 120.570 0.125 0.000 2.293 278 I HA 0.214 4.383 4.170 -0.001 0.000 0.299 278 I C 1.861 178.085 176.117 0.177 0.000 1.153 278 I CA -0.394 60.999 61.300 0.155 0.000 1.302 278 I CB -0.071 38.054 38.000 0.210 0.000 1.460 278 I HN 0.588 nan 8.210 nan 0.000 0.552 279 R N 5.518 126.105 120.500 0.146 0.000 2.092 279 R HA -0.046 4.293 4.340 -0.001 0.000 0.231 279 R C 0.634 177.018 176.300 0.139 0.000 1.119 279 R CA 0.917 57.094 56.100 0.129 0.000 0.970 279 R CB -0.271 30.094 30.300 0.107 0.000 0.864 279 R HN 0.653 nan 8.270 nan 0.000 0.440 280 K N -0.552 119.946 120.400 0.163 0.000 2.283 280 K HA 0.374 4.693 4.320 -0.001 0.000 0.257 280 K C -1.552 175.209 176.600 0.268 0.000 1.066 280 K CA -1.115 55.256 56.287 0.140 0.000 0.891 280 K CB 1.745 34.285 32.500 0.067 0.000 1.438 280 K HN 0.247 nan 8.250 nan 0.000 0.464 281 W N -0.360 120.972 121.300 0.053 0.000 3.153 281 W HA 0.559 5.218 4.660 -0.001 0.000 0.316 281 W C -2.112 174.405 176.519 -0.003 0.000 1.255 281 W CA -0.670 56.683 57.345 0.014 0.000 1.192 281 W CB 0.960 30.507 29.460 0.146 0.000 1.400 281 W HN 0.901 nan 8.180 nan 0.000 0.568 282 T N 0.708 115.439 114.554 0.294 0.000 2.802 282 T HA 0.538 4.888 4.350 -0.001 0.000 0.311 282 T C -2.452 172.386 174.700 0.230 0.000 1.405 282 T CA -0.552 61.592 62.100 0.074 0.000 1.016 282 T CB 1.935 70.751 68.868 -0.085 0.000 1.352 282 T HN 0.596 nan 8.240 nan 0.000 0.498 283 L N 3.868 125.188 121.223 0.161 0.000 2.408 283 L HA 0.547 4.887 4.340 -0.001 0.000 0.257 283 L C -0.408 176.497 176.870 0.058 0.000 1.053 283 L CA -0.620 54.311 54.840 0.151 0.000 0.922 283 L CB 0.612 42.811 42.059 0.234 0.000 1.261 283 L HN 0.642 nan 8.230 nan 0.000 0.458 284 L N 5.311 126.542 121.223 0.013 0.000 2.678 284 L HA 0.119 4.459 4.340 -0.001 0.000 0.276 284 L C -1.182 175.699 176.870 0.018 0.000 1.142 284 L CA -1.240 53.602 54.840 0.003 0.000 0.961 284 L CB -0.437 41.608 42.059 -0.023 0.000 1.291 284 L HN 0.396 nan 8.230 nan 0.000 0.476 285 P HA -0.157 nan 4.420 nan 0.000 0.221 285 P C 1.082 178.399 177.300 0.028 0.000 1.141 285 P CA 0.950 64.071 63.100 0.034 0.000 0.794 285 P CB 0.057 31.777 31.700 0.033 0.000 0.764 286 G N 0.932 109.745 108.800 0.021 0.000 2.272 286 G HA2 0.234 4.193 3.960 -0.001 0.000 0.274 286 G HA3 0.234 4.193 3.960 -0.001 0.000 0.274 286 G C 0.134 175.044 174.900 0.017 0.000 1.136 286 G CA -0.281 44.830 45.100 0.019 0.000 1.098 286 G HN 0.211 nan 8.290 nan 0.000 0.425 287 V N 1.173 121.100 119.914 0.021 0.000 2.530 287 V HA 0.271 4.390 4.120 -0.001 0.000 0.282 287 V C -0.167 175.939 176.094 0.019 0.000 1.048 287 V CA -1.391 60.922 62.300 0.023 0.000 0.997 287 V CB 1.415 33.256 31.823 0.029 0.000 0.987 287 V HN 0.432 nan 8.190 nan 0.000 0.477 288 D N 4.739 125.150 120.400 0.018 0.000 2.357 288 D HA 0.308 4.947 4.640 -0.001 0.000 0.265 288 D C 1.319 177.631 176.300 0.020 0.000 1.334 288 D CA 0.910 54.921 54.000 0.017 0.000 0.984 288 D CB 1.219 42.029 40.800 0.017 0.000 1.077 288 D HN 0.881 nan 8.370 nan 0.000 0.514 289 A N 3.102 125.933 122.820 0.018 0.000 1.997 289 A HA -0.135 4.184 4.320 -0.001 0.000 0.221 289 A C 1.429 179.024 177.584 0.018 0.000 1.172 289 A CA 1.306 53.353 52.037 0.018 0.000 0.645 289 A CB -0.323 18.686 19.000 0.015 0.000 0.813 289 A HN 0.576 nan 8.150 nan 0.000 0.454 290 A N 0.935 123.765 122.820 0.017 0.000 2.513 290 A HA 0.442 4.761 4.320 -0.001 0.000 0.274 290 A C 1.206 178.804 177.584 0.023 0.000 1.115 290 A CA 0.874 52.921 52.037 0.018 0.000 0.792 290 A CB -1.432 17.577 19.000 0.016 0.000 1.053 290 A HN 2.067 nan 8.150 nan 0.000 0.515 291 T N 0.700 115.269 114.554 0.024 0.000 1.611 291 T HA -0.261 4.089 4.350 -0.001 0.000 0.771 291 T C 0.033 174.751 174.700 0.031 0.000 0.998 291 T CA 1.217 63.334 62.100 0.029 0.000 4.060 291 T CB -0.560 68.329 68.868 0.035 0.000 2.308 291 T HN 1.001 nan 8.240 nan 0.000 0.396 292 R N 2.112 122.635 120.500 0.039 0.000 2.564 292 R HA 0.602 4.941 4.340 -0.001 0.000 0.282 292 R C -0.581 175.746 176.300 0.046 0.000 1.573 292 R CA -0.302 55.823 56.100 0.041 0.000 1.588 292 R CB 0.827 31.154 30.300 0.045 0.000 1.154 292 R HN 0.786 nan 8.270 nan 0.000 0.606 293 T N 2.391 116.968 114.554 0.038 0.000 2.841 293 T HA 0.499 4.849 4.350 -0.001 0.000 0.283 293 T C 0.091 174.801 174.700 0.017 0.000 1.000 293 T CA -0.519 61.600 62.100 0.033 0.000 0.977 293 T CB 1.867 70.757 68.868 0.037 0.000 0.979 293 T HN 0.046 nan 8.240 nan 0.000 0.446 294 L N 2.641 123.866 121.223 0.003 0.000 2.375 294 L HA 0.467 4.807 4.340 -0.001 0.000 0.268 294 L C 0.406 177.255 176.870 -0.034 0.000 1.058 294 L CA -0.706 54.130 54.840 -0.005 0.000 0.803 294 L CB 1.452 43.512 42.059 0.002 0.000 1.212 294 L HN 0.615 nan 8.230 nan 0.000 0.451 295 Q N 2.408 122.189 119.800 -0.032 0.000 2.290 295 Q HA 0.373 4.712 4.340 -0.001 0.000 0.259 295 Q C -0.944 175.012 176.000 -0.073 0.000 0.941 295 Q CA -0.681 55.087 55.803 -0.059 0.000 0.912 295 Q CB 2.452 31.160 28.738 -0.050 0.000 1.244 295 Q HN 0.276 nan 8.270 nan 0.000 0.441 296 L N 3.261 124.411 121.223 -0.123 0.000 2.356 296 L HA 0.312 4.652 4.340 -0.001 0.000 0.264 296 L C -0.430 176.329 176.870 -0.186 0.000 1.029 296 L CA -0.186 54.571 54.840 -0.137 0.000 0.897 296 L CB 0.780 42.700 42.059 -0.233 0.000 1.256 296 L HN 0.498 nan 8.230 nan 0.000 0.444 297 R N 4.609 125.006 120.500 -0.170 0.000 2.490 297 R HA 0.560 4.899 4.340 -0.001 0.000 0.280 297 R C -1.507 174.656 176.300 -0.229 0.000 1.077 297 R CA -0.334 55.597 56.100 -0.282 0.000 1.065 297 R CB 0.539 30.546 30.300 -0.488 0.000 1.003 297 R HN 0.698 nan 8.270 nan 0.000 0.470 298 L N 3.444 124.520 121.223 -0.245 0.000 2.406 298 L HA 0.347 4.686 4.340 -0.001 0.000 0.272 298 L C -0.403 176.440 176.870 -0.044 0.000 0.980 298 L CA -0.678 54.085 54.840 -0.129 0.000 0.831 298 L CB 1.946 43.880 42.059 -0.207 0.000 1.253 298 L HN 0.648 nan 8.230 nan 0.000 0.406 299 E N 2.781 123.014 120.200 0.054 0.000 2.104 299 E HA 0.294 4.644 4.350 -0.001 0.000 0.278 299 E C -0.867 175.848 176.600 0.191 0.000 1.127 299 E CA -0.389 56.154 56.400 0.239 0.000 0.897 299 E CB 0.798 30.671 29.700 0.287 0.000 1.043 299 E HN 0.352 nan 8.360 nan 0.000 0.410 300 V N 4.076 124.107 119.914 0.194 0.000 2.644 300 V HA 0.081 4.200 4.120 -0.001 0.000 0.295 300 V C 0.356 176.528 176.094 0.129 0.000 1.053 300 V CA -0.674 61.706 62.300 0.134 0.000 0.987 300 V CB 1.662 33.546 31.823 0.102 0.000 1.006 300 V HN 0.687 nan 8.190 nan 0.000 0.472 301 D N 3.331 123.791 120.400 0.100 0.000 2.365 301 D HA 0.090 4.729 4.640 -0.001 0.000 0.237 301 D C -0.480 175.862 176.300 0.070 0.000 1.190 301 D CA -0.054 53.995 54.000 0.083 0.000 0.867 301 D CB 0.389 41.231 40.800 0.070 0.000 1.050 301 D HN 0.472 nan 8.370 nan 0.000 0.491 302 N N 2.515 121.256 118.700 0.069 0.000 2.589 302 N HA 0.326 5.065 4.740 -0.001 0.000 0.232 302 N C -0.240 175.294 175.510 0.041 0.000 1.015 302 N CA -0.384 52.702 53.050 0.060 0.000 0.931 302 N CB 1.080 39.613 38.487 0.076 0.000 1.150 302 N HN 0.341 nan 8.380 nan 0.000 0.512 303 A N 2.214 125.055 122.820 0.035 0.000 2.498 303 A HA 0.221 4.541 4.320 -0.001 0.000 0.238 303 A C 0.553 178.150 177.584 0.021 0.000 1.225 303 A CA -0.120 51.931 52.037 0.024 0.000 0.978 303 A CB 0.429 19.442 19.000 0.022 0.000 1.142 303 A HN 0.383 nan 8.150 nan 0.000 0.552 304 D N 0.626 121.042 120.400 0.026 0.000 2.363 304 D HA 0.174 4.813 4.640 -0.001 0.000 0.214 304 D C -0.056 176.258 176.300 0.024 0.000 1.093 304 D CA 0.123 54.136 54.000 0.023 0.000 0.837 304 D CB -0.017 40.797 40.800 0.024 0.000 0.948 304 D HN 0.492 nan 8.370 nan 0.000 0.507 305 E N -0.585 119.631 120.200 0.028 0.000 2.494 305 E HA -0.263 4.086 4.350 -0.001 0.000 0.249 305 E C 0.116 176.739 176.600 0.037 0.000 1.184 305 E CA 0.543 56.964 56.400 0.034 0.000 0.727 305 E CB -1.099 28.614 29.700 0.023 0.000 1.281 305 E HN 0.297 nan 8.360 nan 0.000 0.405 306 A N 0.628 123.470 122.820 0.036 0.000 2.708 306 A HA 0.466 4.785 4.320 -0.001 0.000 0.293 306 A C 0.045 177.648 177.584 0.032 0.000 1.303 306 A CA -0.131 51.925 52.037 0.031 0.000 0.949 306 A CB 0.353 19.370 19.000 0.028 0.000 1.121 306 A HN 0.155 nan 8.150 nan 0.000 0.542 307 L N 0.031 121.278 121.223 0.040 0.000 2.439 307 L HA 0.481 4.820 4.340 -0.001 0.000 0.270 307 L C -1.136 175.745 176.870 0.018 0.000 0.972 307 L CA -0.571 54.287 54.840 0.029 0.000 0.836 307 L CB 2.455 44.541 42.059 0.045 0.000 1.255 307 L HN 0.042 nan 8.230 nan 0.000 0.404 308 K N 3.757 124.137 120.400 -0.033 0.000 2.463 308 K HA 0.487 4.806 4.320 -0.001 0.000 0.255 308 K C -2.638 173.852 176.600 -0.183 0.000 0.942 308 K CA -1.800 54.433 56.287 -0.090 0.000 0.814 308 K CB 1.595 34.069 32.500 -0.043 0.000 1.122 308 K HN 0.067 nan 8.250 nan 0.000 0.425 309 P HA -0.047 nan 4.420 nan 0.000 0.253 309 P C 0.555 177.730 177.300 -0.209 0.000 1.159 309 P CA 1.165 64.038 63.100 -0.379 0.000 0.779 309 P CB 0.360 31.666 31.700 -0.658 0.000 0.745 310 G N 2.502 111.213 108.800 -0.148 0.000 2.284 310 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.201 310 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.201 310 G C 0.277 175.120 174.900 -0.094 0.000 0.998 310 G CA -0.469 44.566 45.100 -0.108 0.000 0.651 310 G HN 0.419 nan 8.290 nan 0.000 0.489 311 M N 1.344 120.889 119.600 -0.092 0.000 2.252 311 M HA 0.176 4.656 4.480 -0.001 0.000 0.321 311 M C 0.198 176.436 176.300 -0.103 0.000 1.070 311 M CA 0.177 55.431 55.300 -0.076 0.000 1.143 311 M CB 0.084 32.650 32.600 -0.057 0.000 1.498 311 M HN 0.172 nan 8.290 nan 0.000 0.445 312 N N 1.507 120.144 118.700 -0.106 0.000 2.514 312 N HA 0.577 5.317 4.740 -0.001 0.000 0.277 312 N C -1.053 174.324 175.510 -0.220 0.000 1.126 312 N CA -0.108 52.827 53.050 -0.192 0.000 0.978 312 N CB 1.202 39.594 38.487 -0.158 0.000 1.106 312 N HN 0.683 nan 8.380 nan 0.000 0.461 313 A N 1.468 124.062 122.820 -0.377 0.000 2.515 313 A HA 0.663 4.983 4.320 -0.001 0.000 0.298 313 A C -1.786 175.522 177.584 -0.459 0.000 1.059 313 A CA -0.745 51.125 52.037 -0.280 0.000 0.698 313 A CB 0.989 19.904 19.000 -0.142 0.000 1.289 313 A HN 0.662 nan 8.150 nan 0.000 0.404 314 W N 1.736 123.045 121.300 0.014 0.000 2.411 314 W HA 0.526 5.186 4.660 -0.001 0.000 0.317 314 W C -0.422 176.119 176.519 0.037 0.000 1.030 314 W CA -0.440 56.921 57.345 0.028 0.000 1.239 314 W CB 1.923 31.395 29.460 0.019 0.000 1.304 314 W HN 0.512 nan 8.180 nan 0.000 0.437 315 L N 4.947 126.340 121.223 0.283 0.000 2.302 315 L HA 0.254 4.593 4.340 -0.001 0.000 0.285 315 L C 0.322 177.357 176.870 0.275 0.000 1.090 315 L CA -0.605 54.351 54.840 0.192 0.000 0.866 315 L CB 0.111 42.209 42.059 0.065 0.000 1.244 315 L HN 0.455 nan 8.230 nan 0.000 0.435 316 Q N 3.909 123.838 119.800 0.214 0.000 2.381 316 Q HA 0.299 4.638 4.340 -0.001 0.000 0.243 316 Q C -0.902 175.206 176.000 0.180 0.000 1.154 316 Q CA 0.157 56.069 55.803 0.181 0.000 0.899 316 Q CB 0.338 29.147 28.738 0.118 0.000 1.396 316 Q HN 0.671 nan 8.270 nan 0.000 0.485 317 L N 3.344 124.703 121.223 0.227 0.000 2.431 317 L HA 0.622 4.962 4.340 -0.001 0.000 0.260 317 L C -0.787 176.154 176.870 0.118 0.000 1.098 317 L CA -0.026 54.925 54.840 0.185 0.000 0.800 317 L CB 1.308 43.480 42.059 0.187 0.000 1.210 317 L HN 0.795 nan 8.230 nan 0.000 0.465 318 N N 0.164 118.890 118.700 0.043 0.000 2.331 318 N HA 0.528 5.267 4.740 -0.001 0.000 0.280 318 N C -1.383 174.102 175.510 -0.040 0.000 1.155 318 N CA -0.451 52.605 53.050 0.010 0.000 0.822 318 N CB 2.221 40.692 38.487 -0.028 0.000 1.619 318 N HN 0.644 nan 8.380 nan 0.000 0.476 319 T N 0.203 114.748 114.554 -0.016 0.000 2.804 319 T HA 0.851 5.201 4.350 -0.001 0.000 0.290 319 T C -0.545 174.073 174.700 -0.137 0.000 1.099 319 T CA -0.456 61.613 62.100 -0.051 0.000 1.011 319 T CB 2.055 70.961 68.868 0.063 0.000 1.291 319 T HN 0.613 nan 8.240 nan 0.000 0.523 320 A N 0.849 123.573 122.820 -0.160 0.000 2.470 320 A HA 0.985 5.305 4.320 -0.001 0.000 0.271 320 A C -0.892 176.576 177.584 -0.193 0.000 1.269 320 A CA -0.651 51.249 52.037 -0.229 0.000 0.828 320 A CB 1.200 20.100 19.000 -0.168 0.000 1.374 320 A HN 1.234 nan 8.150 nan 0.000 0.454 321 S N -0.363 115.222 115.700 -0.192 0.000 2.543 321 S HA 0.488 4.957 4.470 -0.001 0.000 0.271 321 S C -0.819 173.727 174.600 -0.091 0.000 1.148 321 S CA -0.423 57.712 58.200 -0.107 0.000 0.914 321 S CB 0.852 63.955 63.200 -0.160 0.000 1.096 321 S HN 1.171 nan 8.310 nan 0.000 0.471 322 E N 1.393 121.577 120.200 -0.027 0.000 2.900 322 E HA 0.061 4.410 4.350 -0.001 0.000 0.259 322 E C -2.420 174.136 176.600 -0.074 0.000 0.918 322 E CA -0.762 55.626 56.400 -0.019 0.000 0.960 322 E CB -0.946 28.764 29.700 0.015 0.000 0.908 322 E HN 0.314 nan 8.360 nan 0.000 0.511 323 P HA -0.093 nan 4.420 nan 0.000 0.261 323 P C -0.693 176.560 177.300 -0.078 0.000 1.173 323 P CA 0.906 63.964 63.100 -0.070 0.000 0.760 323 P CB 0.460 32.135 31.700 -0.041 0.000 0.783 324 M N 1.669 121.210 119.600 -0.098 0.000 2.775 324 M HA 0.389 4.868 4.480 -0.001 0.000 0.296 324 M C -0.232 176.037 176.300 -0.052 0.000 1.248 324 M CA -1.162 54.085 55.300 -0.088 0.000 0.800 324 M CB 1.147 33.648 32.600 -0.164 0.000 1.765 324 M HN 0.007 nan 8.290 nan 0.000 0.472 325 L N 2.840 124.049 121.223 -0.024 0.000 2.325 325 L HA 0.232 4.571 4.340 -0.001 0.000 0.284 325 L C -1.133 175.730 176.870 -0.012 0.000 1.089 325 L CA -0.519 54.316 54.840 -0.008 0.000 0.836 325 L CB 0.131 42.198 42.059 0.014 0.000 1.184 325 L HN 0.299 nan 8.230 nan 0.000 0.444 326 L N 5.935 127.147 121.223 -0.019 0.000 2.272 326 L HA 0.469 4.808 4.340 -0.001 0.000 0.289 326 L C -0.006 176.860 176.870 -0.007 0.000 1.032 326 L CA -0.403 54.424 54.840 -0.021 0.000 0.810 326 L CB 1.202 43.238 42.059 -0.038 0.000 1.205 326 L HN 0.434 nan 8.230 nan 0.000 0.422 327 I N 2.274 122.844 120.570 0.001 0.000 2.530 327 I HA 0.636 4.806 4.170 -0.001 0.000 0.297 327 I C -2.512 173.607 176.117 0.003 0.000 1.011 327 I CA -2.528 58.776 61.300 0.006 0.000 1.107 327 I CB 1.589 39.598 38.000 0.015 0.000 1.285 327 I HN 0.310 nan 8.210 nan 0.000 0.436 328 P HA 0.044 nan 4.420 nan 0.000 0.260 328 P C 0.846 178.148 177.300 0.002 0.000 1.207 328 P CA 0.293 63.394 63.100 0.000 0.000 0.780 328 P CB 0.780 32.481 31.700 0.003 0.000 0.789 329 S N 3.304 119.005 115.700 0.002 0.000 2.421 329 S HA -0.313 4.156 4.470 -0.001 0.000 0.239 329 S C 1.730 176.330 174.600 0.000 0.000 1.054 329 S CA 1.798 60.001 58.200 0.005 0.000 1.035 329 S CB -0.417 62.787 63.200 0.006 0.000 0.840 329 S HN 0.567 nan 8.310 nan 0.000 0.475 330 Q N -0.225 119.573 119.800 -0.003 0.000 2.119 330 Q HA -0.015 4.324 4.340 -0.001 0.000 0.201 330 Q C 2.032 178.024 176.000 -0.012 0.000 0.972 330 Q CA 1.276 57.073 55.803 -0.009 0.000 0.847 330 Q CB -0.357 28.377 28.738 -0.008 0.000 0.903 330 Q HN 0.676 nan 8.270 nan 0.000 0.433 331 A N 0.477 123.294 122.820 -0.005 0.000 2.209 331 A HA 0.072 4.391 4.320 -0.001 0.000 0.212 331 A C 0.886 178.465 177.584 -0.007 0.000 1.158 331 A CA -0.002 52.032 52.037 -0.004 0.000 0.742 331 A CB -0.199 18.807 19.000 0.010 0.000 0.790 331 A HN 0.443 nan 8.150 nan 0.000 0.472 332 L N -0.150 121.069 121.223 -0.006 0.000 2.325 332 L HA 0.699 5.038 4.340 -0.001 0.000 0.279 332 L C -0.837 176.024 176.870 -0.016 0.000 1.054 332 L CA -0.717 54.121 54.840 -0.004 0.000 0.804 332 L CB 1.385 43.448 42.059 0.007 0.000 1.200 332 L HN 0.188 nan 8.230 nan 0.000 0.436 333 I N 3.725 124.283 120.570 -0.019 0.000 2.619 333 I HA 0.515 4.684 4.170 -0.001 0.000 0.292 333 I C -1.617 174.488 176.117 -0.020 0.000 1.100 333 I CA -0.236 61.047 61.300 -0.028 0.000 1.043 333 I CB 1.938 39.908 38.000 -0.050 0.000 1.239 333 I HN 0.760 nan 8.210 nan 0.000 0.420 334 D N 2.735 123.123 120.400 -0.020 0.000 2.490 334 D HA 0.543 5.182 4.640 -0.001 0.000 0.232 334 D C -0.031 176.258 176.300 -0.018 0.000 1.053 334 D CA -0.208 53.784 54.000 -0.014 0.000 0.914 334 D CB 1.731 42.526 40.800 -0.008 0.000 1.431 334 D HN 0.514 nan 8.370 nan 0.000 0.483 335 T N -3.149 111.396 114.554 -0.015 0.000 3.087 335 T HA 0.577 4.926 4.350 -0.001 0.000 0.283 335 T C 0.907 175.599 174.700 -0.012 0.000 0.956 335 T CA 0.486 62.576 62.100 -0.016 0.000 0.894 335 T CB 0.266 69.124 68.868 -0.016 0.000 1.160 335 T HN 0.955 nan 8.240 nan 0.000 0.532 336 G N 1.353 110.147 108.800 -0.010 0.000 2.374 336 G HA2 0.081 4.040 3.960 -0.001 0.000 0.067 336 G HA3 0.081 4.040 3.960 -0.001 0.000 0.067 336 G C 0.561 175.457 174.900 -0.007 0.000 1.023 336 G CA 0.097 45.192 45.100 -0.009 0.000 1.131 336 G HN 0.133 nan 8.290 nan 0.000 0.436 337 S N 0.631 116.327 115.700 -0.007 0.000 2.507 337 S HA 0.127 4.596 4.470 -0.001 0.000 0.235 337 S C 0.753 175.350 174.600 -0.004 0.000 0.988 337 S CA 1.455 59.652 58.200 -0.006 0.000 0.944 337 S CB -0.030 63.167 63.200 -0.006 0.000 0.762 337 S HN 0.569 nan 8.310 nan 0.000 0.526 338 E N 1.596 121.794 120.200 -0.003 0.000 2.151 338 E HA 0.250 4.599 4.350 -0.001 0.000 0.275 338 E C -1.033 175.566 176.600 -0.001 0.000 0.936 338 E CA -0.511 55.888 56.400 -0.001 0.000 0.777 338 E CB 0.549 30.248 29.700 -0.001 0.000 1.108 338 E HN 0.191 nan 8.360 nan 0.000 0.401 339 Q N 4.109 123.911 119.800 0.003 0.000 2.275 339 Q HA 0.444 4.783 4.340 -0.001 0.000 0.266 339 Q C -1.024 174.981 176.000 0.009 0.000 1.002 339 Q CA -0.737 55.069 55.803 0.004 0.000 0.761 339 Q CB 2.152 30.894 28.738 0.006 0.000 1.255 339 Q HN 0.519 nan 8.270 nan 0.000 0.446 340 R N -0.104 120.399 120.500 0.006 0.000 2.929 340 R HA 0.781 5.120 4.340 -0.001 0.000 0.259 340 R C -0.540 175.765 176.300 0.009 0.000 1.141 340 R CA -0.730 55.377 56.100 0.013 0.000 0.991 340 R CB 0.738 31.048 30.300 0.017 0.000 1.287 340 R HN 0.401 nan 8.270 nan 0.000 0.450 341 V N -2.737 117.188 119.914 0.019 0.000 3.130 341 V HA 0.630 4.749 4.120 -0.001 0.000 0.308 341 V C -0.974 175.145 176.094 0.042 0.000 1.413 341 V CA -1.087 61.225 62.300 0.019 0.000 1.053 341 V CB 1.786 33.623 31.823 0.023 0.000 1.075 341 V HN 0.487 nan 8.190 nan 0.000 0.465 342 I N 1.565 122.168 120.570 0.055 0.000 2.353 342 I HA 0.547 4.716 4.170 -0.001 0.000 0.293 342 I C 0.346 176.539 176.117 0.126 0.000 0.992 342 I CA 0.473 61.837 61.300 0.107 0.000 1.268 342 I CB 1.374 39.449 38.000 0.125 0.000 1.387 342 I HN 0.896 nan 8.210 nan 0.000 0.478 343 T N 5.951 120.591 114.554 0.143 0.000 2.867 343 T HA 0.553 4.902 4.350 -0.001 0.000 0.282 343 T C -0.142 174.650 174.700 0.154 0.000 1.000 343 T CA -0.441 61.731 62.100 0.120 0.000 1.042 343 T CB 1.950 70.868 68.868 0.083 0.000 0.973 343 T HN 0.244 nan 8.240 nan 0.000 0.465 344 V N 2.843 122.823 119.914 0.111 0.000 2.448 344 V HA 0.305 4.425 4.120 -0.001 0.000 0.295 344 V C -0.208 175.898 176.094 0.019 0.000 1.025 344 V CA -0.751 61.596 62.300 0.078 0.000 0.859 344 V CB 1.782 33.662 31.823 0.095 0.000 0.988 344 V HN 0.867 nan 8.190 nan 0.000 0.431 345 D N 4.029 124.413 120.400 -0.026 0.000 2.395 345 D HA 0.370 5.009 4.640 -0.001 0.000 0.226 345 D C 1.513 177.789 176.300 -0.040 0.000 1.146 345 D CA 0.660 54.642 54.000 -0.030 0.000 0.830 345 D CB 0.784 41.559 40.800 -0.042 0.000 0.958 345 D HN 0.814 nan 8.370 nan 0.000 0.501 346 A N 0.684 123.481 122.820 -0.039 0.000 3.768 346 A HA -0.287 4.032 4.320 -0.001 0.000 0.270 346 A C 1.065 178.613 177.584 -0.061 0.000 1.019 346 A CA 1.719 53.733 52.037 -0.039 0.000 1.058 346 A CB -1.610 17.375 19.000 -0.024 0.000 1.085 346 A HN 0.254 nan 8.150 nan 0.000 0.857 347 D N -0.924 119.424 120.400 -0.087 0.000 2.339 347 D HA 0.391 5.031 4.640 -0.001 0.000 0.217 347 D C 1.620 177.822 176.300 -0.164 0.000 1.050 347 D CA 1.615 55.552 54.000 -0.106 0.000 0.856 347 D CB -0.126 40.614 40.800 -0.100 0.000 0.922 347 D HN 1.574 nan 8.370 nan 0.000 0.518 348 G N 1.544 110.226 108.800 -0.197 0.000 2.184 348 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.264 348 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.264 348 G C 0.459 174.970 174.900 -0.648 0.000 0.975 348 G CA 0.428 45.346 45.100 -0.304 0.000 0.642 348 G HN 0.509 nan 8.290 nan 0.000 0.536 349 R N -0.644 119.535 120.500 -0.534 0.000 2.528 349 R HA 0.749 5.088 4.340 -0.001 0.000 0.271 349 R C -0.238 175.680 176.300 -0.637 0.000 1.056 349 R CA -0.614 55.099 56.100 -0.646 0.000 1.117 349 R CB 0.695 30.822 30.300 -0.289 0.000 1.085 349 R HN 0.111 nan 8.270 nan 0.000 0.530 350 F N 0.001 119.931 119.950 -0.033 0.000 2.585 350 F HA 0.771 5.297 4.527 -0.001 0.000 0.350 350 F C 0.008 175.821 175.800 0.022 0.000 1.074 350 F CA -1.205 56.797 58.000 0.003 0.000 1.032 350 F CB 1.647 40.657 39.000 0.015 0.000 1.330 350 F HN 0.373 nan 8.300 nan 0.000 0.495 351 V N 0.829 120.898 119.914 0.258 0.000 3.022 351 V HA 0.401 4.520 4.120 -0.001 0.000 0.272 351 V C -2.982 173.186 176.094 0.122 0.000 1.584 351 V CA -1.629 60.759 62.300 0.147 0.000 0.974 351 V CB 2.261 34.138 31.823 0.090 0.000 1.219 351 V HN 0.469 nan 8.190 nan 0.000 0.450 352 P HA 0.470 nan 4.420 nan 0.000 0.271 352 P C -1.456 175.876 177.300 0.053 0.000 1.216 352 P CA -0.166 62.974 63.100 0.066 0.000 0.776 352 P CB 0.399 32.130 31.700 0.052 0.000 0.881 353 K N 2.665 123.093 120.400 0.046 0.000 2.652 353 K HA 0.257 4.576 4.320 -0.001 0.000 0.249 353 K C -0.522 176.096 176.600 0.031 0.000 0.986 353 K CA -0.552 55.758 56.287 0.038 0.000 0.867 353 K CB 2.266 34.792 32.500 0.043 0.000 1.201 353 K HN 0.393 nan 8.250 nan 0.000 0.450 354 R N 2.132 122.648 120.500 0.026 0.000 2.401 354 R HA 0.262 4.601 4.340 -0.001 0.000 0.299 354 R C 0.227 176.541 176.300 0.024 0.000 1.064 354 R CA -0.221 55.893 56.100 0.022 0.000 1.000 354 R CB 0.486 30.797 30.300 0.018 0.000 0.973 354 R HN 0.420 nan 8.270 nan 0.000 0.438 355 V N 0.638 120.567 119.914 0.024 0.000 3.046 355 V HA 0.907 5.027 4.120 -0.001 0.000 0.316 355 V C -0.823 175.287 176.094 0.028 0.000 1.104 355 V CA -0.964 61.354 62.300 0.029 0.000 1.006 355 V CB 1.976 33.819 31.823 0.032 0.000 1.058 355 V HN 0.804 nan 8.190 nan 0.000 0.440 356 A N 2.514 125.355 122.820 0.036 0.000 2.363 356 A HA 0.735 5.054 4.320 -0.001 0.000 0.296 356 A C -0.234 177.383 177.584 0.054 0.000 1.237 356 A CA -0.192 51.864 52.037 0.032 0.000 0.773 356 A CB 0.817 19.832 19.000 0.024 0.000 1.153 356 A HN 2.191 nan 8.150 nan 0.000 0.473 357 V N 1.170 121.115 119.914 0.051 0.000 2.655 357 V HA 0.380 4.499 4.120 -0.001 0.000 0.300 357 V C 0.823 176.984 176.094 0.111 0.000 1.044 357 V CA 0.186 62.538 62.300 0.086 0.000 1.095 357 V CB 0.233 32.096 31.823 0.067 0.000 0.952 357 V HN 0.788 nan 8.190 nan 0.000 0.485 358 F N 3.493 123.460 119.950 0.028 0.000 2.148 358 F HA 0.271 4.797 4.527 -0.001 0.000 0.285 358 F C 1.104 176.931 175.800 0.044 0.000 1.092 358 F CA 1.541 59.563 58.000 0.037 0.000 1.218 358 F CB 0.179 39.206 39.000 0.044 0.000 1.059 358 F HN 0.901 nan 8.300 nan 0.000 0.490 359 Q N -0.815 119.256 119.800 0.452 0.000 2.907 359 Q HA 0.608 4.947 4.340 -0.001 0.000 0.310 359 Q C -1.981 174.137 176.000 0.196 0.000 0.861 359 Q CA -0.970 55.005 55.803 0.287 0.000 0.769 359 Q CB 1.388 30.340 28.738 0.356 0.000 1.465 359 Q HN 0.209 nan 8.270 nan 0.000 0.449 360 A N 0.504 123.418 122.820 0.156 0.000 2.413 360 A HA 0.906 5.225 4.320 -0.001 0.000 0.307 360 A C -1.032 176.640 177.584 0.146 0.000 1.087 360 A CA -0.095 52.011 52.037 0.115 0.000 0.750 360 A CB 2.210 21.255 19.000 0.074 0.000 1.296 360 A HN 0.844 nan 8.150 nan 0.000 0.423 361 S N 0.444 116.212 115.700 0.113 0.000 2.563 361 S HA 0.436 4.906 4.470 -0.001 0.000 0.279 361 S C 0.108 174.742 174.600 0.057 0.000 1.155 361 S CA 0.116 58.401 58.200 0.142 0.000 0.928 361 S CB 0.953 64.321 63.200 0.281 0.000 1.107 361 S HN 0.950 nan 8.310 nan 0.000 0.462 362 Q N 1.863 121.698 119.800 0.058 0.000 2.100 362 Q HA -0.295 4.045 4.340 -0.001 0.000 0.163 362 Q C 0.939 176.942 176.000 0.004 0.000 0.618 362 Q CA 2.171 57.988 55.803 0.024 0.000 1.485 362 Q CB -1.497 27.247 28.738 0.010 0.000 1.627 362 Q HN 1.463 nan 8.270 nan 0.000 0.824 363 G N -1.345 107.456 108.800 0.002 0.000 3.990 363 G HA2 0.171 4.130 3.960 -0.001 0.000 0.213 363 G HA3 0.171 4.130 3.960 -0.001 0.000 0.213 363 G C -0.264 174.633 174.900 -0.005 0.000 0.849 363 G CA 0.335 45.432 45.100 -0.004 0.000 0.857 363 G HN 0.696 nan 8.290 nan 0.000 0.484 364 V N -0.242 119.667 119.914 -0.008 0.000 3.102 364 V HA 0.975 5.095 4.120 -0.001 0.000 0.312 364 V C -0.292 175.806 176.094 0.005 0.000 1.135 364 V CA 0.157 62.452 62.300 -0.008 0.000 1.022 364 V CB 1.578 33.386 31.823 -0.025 0.000 1.056 364 V HN 0.935 nan 8.190 nan 0.000 0.436 365 T N 0.192 114.753 114.554 0.013 0.000 2.912 365 T HA 0.893 5.242 4.350 -0.001 0.000 0.288 365 T C -0.290 174.427 174.700 0.028 0.000 1.030 365 T CA -0.129 61.992 62.100 0.035 0.000 1.020 365 T CB 1.562 70.457 68.868 0.045 0.000 1.056 365 T HN 2.091 nan 8.240 nan 0.000 0.480 366 A N 3.149 125.999 122.820 0.050 0.000 2.331 366 A HA 0.711 5.030 4.320 -0.001 0.000 0.320 366 A C -0.914 176.738 177.584 0.114 0.000 1.138 366 A CA -0.845 51.212 52.037 0.034 0.000 0.790 366 A CB 0.583 19.551 19.000 -0.053 0.000 1.206 366 A HN 0.696 nan 8.150 nan 0.000 0.470 367 L N 2.657 123.936 121.223 0.093 0.000 2.312 367 L HA 0.451 4.790 4.340 -0.001 0.000 0.281 367 L C 1.562 178.530 176.870 0.164 0.000 1.070 367 L CA 0.054 54.966 54.840 0.120 0.000 0.805 367 L CB 0.687 42.790 42.059 0.073 0.000 1.174 367 L HN 0.930 nan 8.230 nan 0.000 0.434 368 R N 1.019 121.637 120.500 0.196 0.000 2.065 368 R HA 0.088 4.427 4.340 -0.001 0.000 0.224 368 R C 0.207 176.575 176.300 0.114 0.000 1.161 368 R CA 0.906 57.126 56.100 0.200 0.000 0.923 368 R CB -0.221 30.152 30.300 0.122 0.000 0.822 368 R HN 0.616 nan 8.270 nan 0.000 0.437 369 S N -1.796 113.950 115.700 0.076 0.000 2.726 369 S HA 0.700 5.169 4.470 -0.001 0.000 0.308 369 S C 0.272 174.900 174.600 0.046 0.000 1.115 369 S CA -0.302 57.930 58.200 0.053 0.000 0.965 369 S CB 2.043 65.267 63.200 0.039 0.000 1.145 369 S HN 0.634 nan 8.310 nan 0.000 0.532 370 G N -0.217 108.605 108.800 0.037 0.000 1.649 370 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.099 370 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.099 370 G C -0.436 174.483 174.900 0.031 0.000 1.449 370 G CA -0.343 44.777 45.100 0.033 0.000 1.238 370 G HN 0.537 nan 8.290 nan 0.000 0.398 371 L N 1.102 122.344 121.223 0.031 0.000 2.928 371 L HA 0.782 5.121 4.340 -0.001 0.000 0.162 371 L C 0.890 177.775 176.870 0.025 0.000 1.540 371 L CA -0.144 54.714 54.840 0.029 0.000 1.836 371 L CB 0.284 42.361 42.059 0.029 0.000 2.626 371 L HN 1.233 nan 8.230 nan 0.000 0.549 372 A N -0.746 122.087 122.820 0.023 0.000 2.605 372 A HA 0.359 4.678 4.320 -0.001 0.000 0.294 372 A C -1.100 176.494 177.584 0.016 0.000 1.062 372 A CA -0.551 51.497 52.037 0.019 0.000 0.682 372 A CB 1.149 20.159 19.000 0.017 0.000 1.278 372 A HN 0.566 nan 8.150 nan 0.000 0.410 373 E N -0.025 120.183 120.200 0.012 0.000 2.436 373 E HA 0.340 4.690 4.350 -0.001 0.000 0.262 373 E C 1.445 178.051 176.600 0.009 0.000 1.063 373 E CA 1.753 58.158 56.400 0.009 0.000 0.944 373 E CB 0.274 29.977 29.700 0.005 0.000 0.950 373 E HN 2.033 nan 8.360 nan 0.000 0.444 374 G N 3.011 111.816 108.800 0.008 0.000 2.396 374 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.242 374 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.242 374 G C 0.321 175.228 174.900 0.012 0.000 1.069 374 G CA 0.514 45.619 45.100 0.008 0.000 0.633 374 G HN 0.662 nan 8.290 nan 0.000 0.517 375 E N 1.288 121.497 120.200 0.015 0.000 2.534 375 E HA 0.267 4.616 4.350 -0.001 0.000 0.264 375 E C 0.527 177.142 176.600 0.025 0.000 0.981 375 E CA 0.398 56.811 56.400 0.021 0.000 0.948 375 E CB 0.350 30.065 29.700 0.024 0.000 0.934 375 E HN 0.176 nan 8.360 nan 0.000 0.459 376 K N 1.776 122.196 120.400 0.032 0.000 2.098 376 K HA 0.531 4.850 4.320 -0.001 0.000 0.258 376 K C -0.764 175.870 176.600 0.056 0.000 0.973 376 K CA -0.606 55.705 56.287 0.040 0.000 0.898 376 K CB 1.905 34.430 32.500 0.041 0.000 1.057 376 K HN 0.325 nan 8.250 nan 0.000 0.447 377 V N 0.466 120.415 119.914 0.059 0.000 3.202 377 V HA 0.461 4.580 4.120 -0.001 0.000 0.306 377 V C -1.675 174.463 176.094 0.072 0.000 1.283 377 V CA -0.902 61.439 62.300 0.069 0.000 1.065 377 V CB 2.491 34.343 31.823 0.049 0.000 1.079 377 V HN 0.407 nan 8.190 nan 0.000 0.448 378 V N 3.036 122.994 119.914 0.072 0.000 2.407 378 V HA 0.756 4.876 4.120 -0.001 0.000 0.291 378 V C -0.145 175.973 176.094 0.039 0.000 1.018 378 V CA 0.533 62.876 62.300 0.071 0.000 0.842 378 V CB 1.648 33.532 31.823 0.102 0.000 0.996 378 V HN 1.223 nan 8.190 nan 0.000 0.426 379 S N 4.012 119.732 115.700 0.033 0.000 2.252 379 S HA 0.584 5.053 4.470 -0.001 0.000 0.180 379 S C 0.166 174.776 174.600 0.016 0.000 1.534 379 S CA 0.186 58.396 58.200 0.017 0.000 1.141 379 S CB 0.734 63.942 63.200 0.013 0.000 1.122 379 S HN 1.682 nan 8.310 nan 0.000 0.475 380 S N 0.613 116.321 115.700 0.014 0.000 4.692 380 S HA 0.039 4.508 4.470 -0.001 0.000 0.042 380 S C 0.597 175.213 174.600 0.026 0.000 0.872 380 S CA -0.059 58.149 58.200 0.013 0.000 0.897 380 S CB -1.465 61.746 63.200 0.018 0.000 0.342 380 S HN 1.216 nan 8.310 nan 0.000 0.804 381 G N 1.452 110.274 108.800 0.037 0.000 2.616 381 G HA2 0.638 4.597 3.960 -0.001 0.000 0.268 381 G HA3 0.638 4.597 3.960 -0.001 0.000 0.268 381 G C -0.431 174.486 174.900 0.029 0.000 1.213 381 G CA -0.101 45.051 45.100 0.087 0.000 0.926 381 G HN 1.242 nan 8.290 nan 0.000 0.523 382 L N -1.667 119.628 121.223 0.120 0.000 2.710 382 L HA 0.751 5.091 4.340 -0.001 0.000 0.262 382 L C -1.143 175.834 176.870 0.178 0.000 0.940 382 L CA -1.098 53.742 54.840 -0.001 0.000 0.944 382 L CB 1.117 43.179 42.059 0.005 0.000 1.348 382 L HN 0.697 nan 8.230 nan 0.000 0.425 383 F N 1.541 121.438 119.950 -0.089 0.000 2.807 383 F HA 0.776 5.303 4.527 -0.001 0.000 0.316 383 F C -0.880 174.879 175.800 -0.068 0.000 1.162 383 F CA -1.309 56.644 58.000 -0.077 0.000 0.910 383 F CB 1.007 39.945 39.000 -0.104 0.000 1.314 383 F HN 0.650 nan 8.300 nan 0.000 0.454 384 L N 1.411 122.714 121.223 0.133 0.000 2.657 384 L HA 0.686 5.026 4.340 -0.001 0.000 0.240 384 L C 0.518 177.445 176.870 0.095 0.000 1.151 384 L CA -1.193 53.673 54.840 0.043 0.000 0.831 384 L CB 0.429 42.516 42.059 0.046 0.000 1.539 384 L HN 0.763 nan 8.230 nan 0.000 0.511 385 I N 0.000 120.600 120.570 0.050 0.000 2.984 385 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 385 I CA 0.000 61.337 61.300 0.062 0.000 1.566 385 I CB 0.000 38.024 38.000 0.041 0.000 1.214 385 I HN 0.000 nan 8.210 nan 0.000 0.494