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 1xs2_1_C DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LGTLLGGHKE QVEVGVSLGI QADEQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRATRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTYIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSTLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.534 176.300 0.390 0.000 0.893 6 R CA 0.000 56.249 56.100 0.248 0.000 0.921 6 R CB 0.000 30.385 30.300 0.142 0.000 0.687 7 M N 1.346 121.102 119.600 0.259 0.000 2.226 7 M HA 0.351 4.831 4.480 -0.000 0.000 0.324 7 M C -0.579 175.904 176.300 0.304 0.000 1.112 7 M CA 0.171 55.600 55.300 0.214 0.000 1.176 7 M CB 0.178 32.795 32.600 0.029 0.000 1.430 7 M HN 0.534 nan 8.290 nan 0.000 0.462 8 F N -0.404 119.641 119.950 0.158 0.000 2.576 8 F HA 0.713 5.240 4.527 -0.000 0.000 0.313 8 F C -0.931 174.962 175.800 0.155 0.000 1.078 8 F CA -1.211 56.888 58.000 0.166 0.000 0.921 8 F CB 1.285 40.421 39.000 0.227 0.000 1.232 8 F HN 0.419 nan 8.300 nan 0.000 0.459 9 K N 4.290 124.851 120.400 0.268 0.000 2.358 9 K HA 0.536 4.856 4.320 -0.000 0.000 0.260 9 K C -1.205 175.557 176.600 0.269 0.000 0.956 9 K CA -0.636 55.745 56.287 0.157 0.000 0.834 9 K CB 1.252 33.800 32.500 0.081 0.000 1.102 9 K HN 0.866 nan 8.250 nan 0.000 0.431 10 I N 4.836 125.585 120.570 0.299 0.000 2.347 10 I HA 0.036 4.206 4.170 -0.000 0.000 0.294 10 I C 0.675 176.910 176.117 0.197 0.000 1.090 10 I CA 0.028 61.496 61.300 0.280 0.000 1.314 10 I CB 1.017 39.196 38.000 0.299 0.000 1.423 10 I HN 0.792 nan 8.210 nan 0.000 0.503 11 E N 4.317 124.626 120.200 0.182 0.000 2.140 11 E HA 0.219 4.569 4.350 -0.000 0.000 0.191 11 E C 0.483 177.168 176.600 0.141 0.000 0.973 11 E CA 0.374 56.857 56.400 0.138 0.000 0.829 11 E CB 0.448 30.218 29.700 0.116 0.000 0.781 11 E HN 0.788 nan 8.360 nan 0.000 0.466 12 A N 0.081 123.017 122.820 0.193 0.000 2.593 12 A HA 0.841 5.161 4.320 -0.000 0.000 0.290 12 A C -1.628 176.121 177.584 0.276 0.000 1.126 12 A CA -0.279 51.880 52.037 0.203 0.000 0.695 12 A CB 1.779 20.860 19.000 0.134 0.000 1.290 12 A HN 0.079 nan 8.150 nan 0.000 0.414 13 A N 0.477 123.450 122.820 0.255 0.000 2.488 13 A HA 0.719 5.039 4.320 -0.000 0.000 0.298 13 A C -1.060 176.662 177.584 0.231 0.000 1.044 13 A CA -0.421 51.747 52.037 0.219 0.000 0.693 13 A CB 1.080 20.164 19.000 0.139 0.000 1.272 13 A HN 0.735 nan 8.150 nan 0.000 0.402 14 E N 1.439 121.755 120.200 0.193 0.000 2.183 14 E HA 0.570 4.920 4.350 -0.000 0.000 0.271 14 E C -1.134 175.536 176.600 0.115 0.000 0.919 14 E CA -0.496 56.003 56.400 0.165 0.000 0.781 14 E CB 2.394 32.188 29.700 0.155 0.000 1.140 14 E HN 0.568 nan 8.360 nan 0.000 0.402 15 I N 2.839 123.481 120.570 0.120 0.000 2.330 15 I HA 0.250 4.420 4.170 -0.000 0.000 0.289 15 I C -0.881 175.265 176.117 0.048 0.000 1.001 15 I CA -0.874 60.468 61.300 0.070 0.000 1.193 15 I CB 1.306 39.348 38.000 0.070 0.000 1.345 15 I HN 0.195 nan 8.210 nan 0.000 0.461 16 V N 7.433 127.361 119.914 0.023 0.000 2.443 16 V HA 0.328 4.448 4.120 -0.000 0.000 0.293 16 V C -0.106 175.980 176.094 -0.014 0.000 1.021 16 V CA -0.705 61.598 62.300 0.005 0.000 0.848 16 V CB 1.875 33.699 31.823 0.002 0.000 0.998 16 V HN 0.366 nan 8.190 nan 0.000 0.424 17 V N 4.141 124.043 119.914 -0.019 0.000 2.370 17 V HA 0.829 4.949 4.120 -0.000 0.000 0.279 17 V C 0.519 176.586 176.094 -0.045 0.000 1.029 17 V CA -0.276 62.007 62.300 -0.029 0.000 0.870 17 V CB 1.356 33.167 31.823 -0.021 0.000 0.984 17 V HN 0.974 nan 8.190 nan 0.000 0.451 18 A N 5.202 127.987 122.820 -0.059 0.000 2.356 18 A HA 0.883 5.203 4.320 -0.000 0.000 0.323 18 A C -0.285 177.265 177.584 -0.058 0.000 1.119 18 A CA -0.898 51.091 52.037 -0.081 0.000 0.790 18 A CB 1.369 20.298 19.000 -0.119 0.000 1.273 18 A HN 0.787 nan 8.150 nan 0.000 0.452 19 R N 1.168 121.643 120.500 -0.042 0.000 2.393 19 R HA 0.600 4.940 4.340 -0.000 0.000 0.315 19 R C -2.069 174.282 176.300 0.085 0.000 0.952 19 R CA -0.564 55.558 56.100 0.037 0.000 0.842 19 R CB 1.007 31.330 30.300 0.038 0.000 1.163 19 R HN 0.567 nan 8.270 nan 0.000 0.450 20 L N 7.049 128.333 121.223 0.101 0.000 2.325 20 L HA 0.552 4.892 4.340 -0.000 0.000 0.281 20 L C -2.311 174.650 176.870 0.152 0.000 1.004 20 L CA -2.254 52.611 54.840 0.043 0.000 0.823 20 L CB 1.913 43.799 42.059 -0.287 0.000 1.236 20 L HN 0.560 nan 8.230 nan 0.000 0.415 21 P HA 0.185 nan 4.420 nan 0.000 0.275 21 P C -0.415 176.971 177.300 0.144 0.000 1.227 21 P CA -0.246 62.715 63.100 -0.231 0.000 0.781 21 P CB 1.184 32.768 31.700 -0.194 0.000 0.906 22 L N 2.941 124.193 121.223 0.049 0.000 2.744 22 L HA 0.538 4.878 4.340 -0.000 0.000 0.218 22 L C 1.207 178.081 176.870 0.006 0.000 1.190 22 L CA 0.154 55.037 54.840 0.070 0.000 0.869 22 L CB 0.219 42.286 42.059 0.013 0.000 1.652 22 L HN 0.537 nan 8.230 nan 0.000 0.519 35 H N 0.383 119.514 119.070 0.103 0.000 2.977 35 H HA 0.695 5.251 4.556 0.000 0.000 0.350 35 H C -1.285 174.131 175.328 0.147 0.000 1.238 35 H CA -0.798 55.330 56.048 0.134 0.000 1.124 35 H CB 2.368 32.184 29.762 0.089 0.000 1.866 35 H HN 0.256 nan 8.280 nan 0.000 0.550 36 K N 0.729 121.310 120.400 0.301 0.000 2.501 36 K HA 0.389 4.709 4.320 -0.000 0.000 0.252 36 K C -1.894 174.788 176.600 0.138 0.000 0.934 36 K CA -0.562 55.860 56.287 0.226 0.000 0.797 36 K CB 1.925 34.627 32.500 0.336 0.000 1.270 36 K HN 0.248 nan 8.250 nan 0.000 0.431 37 V N 3.948 123.912 119.914 0.082 0.000 2.432 37 V HA 0.385 4.505 4.120 -0.000 0.000 0.275 37 V C -0.599 175.495 176.094 -0.000 0.000 1.043 37 V CA -0.770 61.548 62.300 0.029 0.000 0.925 37 V CB 1.366 33.201 31.823 0.020 0.000 0.985 37 V HN 0.582 nan 8.190 nan 0.000 0.466 38 V N 7.509 127.401 119.914 -0.038 0.000 2.304 38 V HA 0.344 4.464 4.120 -0.000 0.000 0.278 38 V C -2.485 173.580 176.094 -0.049 0.000 1.018 38 V CA -1.875 60.390 62.300 -0.059 0.000 0.814 38 V CB 1.516 33.268 31.823 -0.119 0.000 1.021 38 V HN 0.753 nan 8.190 nan 0.000 0.440 39 P HA 0.411 nan 4.420 nan 0.000 0.282 39 P C -0.788 176.492 177.300 -0.032 0.000 1.274 39 P CA -0.072 63.011 63.100 -0.029 0.000 0.770 39 P CB 0.735 32.421 31.700 -0.023 0.000 0.867 40 L N 3.804 125.011 121.223 -0.026 0.000 2.329 40 L HA 0.564 4.904 4.340 -0.000 0.000 0.279 40 L C -0.254 176.611 176.870 -0.009 0.000 1.014 40 L CA -1.104 53.723 54.840 -0.021 0.000 0.814 40 L CB 1.789 43.837 42.059 -0.018 0.000 1.257 40 L HN 0.212 nan 8.230 nan 0.000 0.424 41 L N 4.537 125.754 121.223 -0.011 0.000 2.333 41 L HA 0.599 4.939 4.340 -0.000 0.000 0.280 41 L C -0.762 176.102 176.870 -0.010 0.000 1.004 41 L CA 0.007 54.845 54.840 -0.003 0.000 0.820 41 L CB 1.410 43.465 42.059 -0.006 0.000 1.247 41 L HN 0.369 nan 8.230 nan 0.000 0.416 42 I N 6.327 126.887 120.570 -0.015 0.000 2.389 42 I HA 0.373 4.543 4.170 -0.000 0.000 0.288 42 I C -0.771 175.265 176.117 -0.135 0.000 0.999 42 I CA -0.571 60.676 61.300 -0.087 0.000 1.129 42 I CB 1.454 39.405 38.000 -0.083 0.000 1.288 42 I HN 0.460 nan 8.210 nan 0.000 0.444 43 L N 5.739 126.862 121.223 -0.165 0.000 2.325 43 L HA 0.543 4.883 4.340 -0.000 0.000 0.278 43 L C -0.348 176.364 176.870 -0.263 0.000 1.023 43 L CA -0.719 54.051 54.840 -0.116 0.000 0.811 43 L CB 1.242 43.298 42.059 -0.005 0.000 1.249 43 L HN 0.500 nan 8.230 nan 0.000 0.431 44 H N 1.383 120.503 119.070 0.083 0.000 2.538 44 H HA 0.757 5.313 4.556 -0.000 0.000 0.353 44 H C -0.261 175.128 175.328 0.102 0.000 1.109 44 H CA -0.599 55.495 56.048 0.077 0.000 1.192 44 H CB 2.316 32.118 29.762 0.067 0.000 1.555 44 H HN 0.772 nan 8.280 nan 0.000 0.518 45 G N 1.192 110.116 108.800 0.208 0.000 2.473 45 G HA2 0.188 4.148 3.960 -0.000 0.000 0.298 45 G HA3 0.188 4.148 3.960 -0.000 0.000 0.298 45 G C -0.779 174.213 174.900 0.153 0.000 1.575 45 G CA -0.840 44.376 45.100 0.194 0.000 0.846 45 G HN 0.433 nan 8.290 nan 0.000 0.585 46 E N -0.692 119.594 120.200 0.143 0.000 2.722 46 E HA -0.260 4.090 4.350 -0.000 0.000 0.265 46 E C 1.457 178.104 176.600 0.078 0.000 1.081 46 E CA 2.107 58.574 56.400 0.112 0.000 0.781 46 E CB -1.602 28.176 29.700 0.129 0.000 1.372 46 E HN 2.635 nan 8.360 nan 0.000 0.423 47 G N -1.516 107.334 108.800 0.083 0.000 2.179 47 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.257 47 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.257 47 G C 0.480 175.417 174.900 0.063 0.000 1.010 47 G CA 1.263 46.404 45.100 0.068 0.000 0.736 47 G HN 1.078 nan 8.290 nan 0.000 0.513 48 V N -3.962 115.993 119.914 0.068 0.000 3.119 48 V HA 1.003 5.123 4.120 -0.000 0.000 0.311 48 V C -0.434 175.691 176.094 0.051 0.000 1.259 48 V CA -0.264 62.062 62.300 0.043 0.000 1.067 48 V CB 1.830 33.651 31.823 -0.004 0.000 1.123 48 V HN 1.132 nan 8.190 nan 0.000 0.463 49 Q N 0.157 119.956 119.800 -0.001 0.000 2.416 49 Q HA 0.797 5.137 4.340 -0.000 0.000 0.281 49 Q C -0.655 175.300 176.000 -0.075 0.000 1.067 49 Q CA -0.602 55.154 55.803 -0.078 0.000 0.809 49 Q CB 2.241 30.887 28.738 -0.154 0.000 1.418 49 Q HN 1.346 nan 8.270 nan 0.000 0.411 50 G N 0.600 109.346 108.800 -0.091 0.000 2.461 50 G HA2 0.603 4.562 3.960 -0.000 0.000 0.323 50 G HA3 0.603 4.562 3.960 -0.000 0.000 0.323 50 G C -1.118 173.773 174.900 -0.015 0.000 1.229 50 G CA -0.705 44.380 45.100 -0.025 0.000 0.941 50 G HN 0.408 nan 8.290 nan 0.000 0.477 51 V N 0.589 120.540 119.914 0.062 0.000 2.656 51 V HA 0.873 4.993 4.120 -0.000 0.000 0.307 51 V C 0.209 176.399 176.094 0.160 0.000 1.051 51 V CA -0.659 61.684 62.300 0.072 0.000 0.893 51 V CB 1.160 33.019 31.823 0.061 0.000 0.999 51 V HN 1.229 nan 8.190 nan 0.000 0.426 52 A N 3.156 125.996 122.820 0.034 0.000 2.527 52 A HA 0.910 5.230 4.320 -0.000 0.000 0.293 52 A C -0.945 176.586 177.584 -0.089 0.000 1.117 52 A CA -0.654 51.322 52.037 -0.102 0.000 0.723 52 A CB 2.020 20.895 19.000 -0.208 0.000 1.313 52 A HN 0.887 nan 8.150 nan 0.000 0.411 53 E N 0.801 120.920 120.200 -0.136 0.000 2.210 53 E HA 0.544 4.894 4.350 -0.000 0.000 0.266 53 E C 0.117 176.662 176.600 -0.092 0.000 0.883 53 E CA -0.666 55.683 56.400 -0.086 0.000 0.761 53 E CB 1.626 31.289 29.700 -0.063 0.000 1.156 53 E HN 0.955 nan 8.360 nan 0.000 0.412 54 G N 1.488 110.251 108.800 -0.061 0.000 2.442 54 G HA2 0.185 4.145 3.960 -0.000 0.000 0.249 54 G HA3 0.185 4.145 3.960 -0.000 0.000 0.249 54 G C 0.625 175.496 174.900 -0.049 0.000 1.263 54 G CA 0.094 45.165 45.100 -0.050 0.000 0.846 54 G HN 0.617 nan 8.290 nan 0.000 0.555 55 T N 0.052 114.577 114.554 -0.049 0.000 3.092 55 T HA 0.218 4.568 4.350 -0.000 0.000 0.258 55 T C 1.065 175.743 174.700 -0.037 0.000 1.031 55 T CA -0.426 61.640 62.100 -0.056 0.000 0.925 55 T CB -0.090 68.726 68.868 -0.087 0.000 1.036 55 T HN 0.518 nan 8.240 nan 0.000 0.544 56 M N 1.358 120.949 119.600 -0.015 0.000 2.241 56 M HA 0.570 5.050 4.480 -0.000 0.000 0.335 56 M C -0.741 175.559 176.300 -0.001 0.000 1.122 56 M CA -0.186 55.115 55.300 0.002 0.000 1.164 56 M CB 0.289 32.891 32.600 0.004 0.000 1.459 56 M HN 0.054 nan 8.290 nan 0.000 0.461 57 E N 1.291 121.495 120.200 0.007 0.000 2.232 57 E HA 0.642 4.992 4.350 -0.000 0.000 0.265 57 E C 0.906 177.508 176.600 0.003 0.000 1.001 57 E CA -0.487 55.917 56.400 0.008 0.000 0.870 57 E CB 1.147 30.856 29.700 0.016 0.000 1.175 57 E HN 0.740 nan 8.360 nan 0.000 0.407 58 A N 1.912 124.735 122.820 0.004 0.000 1.927 58 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 58 A C 0.752 178.333 177.584 -0.004 0.000 1.185 58 A CA 1.524 53.560 52.037 -0.001 0.000 0.639 58 A CB -0.276 18.726 19.000 0.002 0.000 0.820 58 A HN 0.481 nan 8.150 nan 0.000 0.451 59 R N -0.857 119.641 120.500 -0.003 0.000 2.740 59 R HA 0.406 4.746 4.340 -0.000 0.000 0.282 59 R C -2.914 173.376 176.300 -0.017 0.000 0.969 59 R CA -2.247 53.848 56.100 -0.009 0.000 0.918 59 R CB 1.376 31.672 30.300 -0.006 0.000 1.175 59 R HN 0.045 nan 8.270 nan 0.000 0.464 60 P HA 0.085 nan 4.420 nan 0.000 0.260 60 P C -0.479 176.766 177.300 -0.092 0.000 1.651 60 P CA 0.321 63.382 63.100 -0.065 0.000 1.139 60 P CB 0.476 32.130 31.700 -0.076 0.000 1.756 61 M N 1.366 120.929 119.600 -0.062 0.000 2.906 61 M HA 0.044 4.524 4.480 -0.000 0.000 0.252 61 M C 1.865 178.117 176.300 -0.080 0.000 1.359 61 M CA 0.759 56.026 55.300 -0.055 0.000 1.239 61 M CB -0.214 32.386 32.600 0.001 0.000 1.229 61 M HN 0.092 nan 8.290 nan 0.000 0.547 62 Y N 0.742 120.954 120.300 -0.146 0.000 2.286 62 Y HA 0.162 4.712 4.550 -0.000 0.000 0.293 62 Y C 1.243 176.969 175.900 -0.290 0.000 1.124 62 Y CA 1.089 59.091 58.100 -0.164 0.000 1.178 62 Y CB 0.497 38.904 38.460 -0.088 0.000 1.010 62 Y HN -0.024 nan 8.280 nan 0.000 0.536 63 R N -0.840 119.484 120.500 -0.293 0.000 3.006 63 R HA 0.086 4.426 4.340 -0.000 0.000 0.261 63 R C 1.124 177.227 176.300 -0.328 0.000 1.113 63 R CA 0.127 55.919 56.100 -0.514 0.000 0.973 63 R CB 0.564 30.657 30.300 -0.346 0.000 1.341 63 R HN 0.121 nan 8.270 nan 0.000 0.437 64 E N 0.969 121.016 120.200 -0.255 0.000 2.216 64 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 64 E C -0.585 175.983 176.600 -0.054 0.000 0.988 64 E CA 1.075 57.398 56.400 -0.128 0.000 0.834 64 E CB 0.235 29.922 29.700 -0.022 0.000 0.772 64 E HN 0.432 nan 8.360 nan 0.000 0.479 65 E N 1.202 121.385 120.200 -0.029 0.000 2.349 65 E HA 0.251 4.601 4.350 -0.000 0.000 0.265 65 E C -0.241 176.352 176.600 -0.011 0.000 1.064 65 E CA 0.005 56.401 56.400 -0.006 0.000 0.886 65 E CB 1.224 30.933 29.700 0.014 0.000 1.036 65 E HN 0.271 nan 8.360 nan 0.000 0.413 66 T N -1.707 112.839 114.554 -0.013 0.000 2.916 66 T HA 0.381 4.731 4.350 -0.000 0.000 0.292 66 T C 1.059 175.750 174.700 -0.015 0.000 1.055 66 T CA -0.777 61.315 62.100 -0.013 0.000 1.009 66 T CB 0.753 69.610 68.868 -0.017 0.000 1.118 66 T HN 0.399 nan 8.240 nan 0.000 0.497 67 I N 1.085 121.647 120.570 -0.013 0.000 2.264 67 I HA -0.152 4.018 4.170 -0.000 0.000 0.248 67 I C 2.937 179.040 176.117 -0.023 0.000 1.111 67 I CA 1.730 63.020 61.300 -0.016 0.000 1.382 67 I CB -0.636 37.356 38.000 -0.012 0.000 1.060 67 I HN 0.904 nan 8.210 nan 0.000 0.418 68 A N 0.839 123.645 122.820 -0.023 0.000 1.858 68 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 68 A C 2.448 180.008 177.584 -0.040 0.000 1.190 68 A CA 1.947 53.967 52.037 -0.028 0.000 0.617 68 A CB -1.422 17.564 19.000 -0.024 0.000 0.827 68 A HN 0.443 nan 8.150 nan 0.000 0.443 69 G N -0.762 108.013 108.800 -0.041 0.000 2.402 69 G HA2 0.063 4.023 3.960 -0.000 0.000 0.216 69 G HA3 0.063 4.023 3.960 -0.000 0.000 0.216 69 G C 1.733 176.586 174.900 -0.079 0.000 1.162 69 G CA 1.394 46.459 45.100 -0.058 0.000 0.777 69 G HN 0.790 nan 8.290 nan 0.000 0.539 70 A N 0.566 123.352 122.820 -0.057 0.000 1.898 70 A HA 0.133 4.453 4.320 -0.000 0.000 0.216 70 A C 2.408 179.946 177.584 -0.078 0.000 1.181 70 A CA 1.127 53.130 52.037 -0.058 0.000 0.620 70 A CB -0.365 18.624 19.000 -0.018 0.000 0.819 70 A HN 0.343 nan 8.150 nan 0.000 0.442 71 L N -0.583 120.603 121.223 -0.062 0.000 2.156 71 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 71 L C 2.359 179.173 176.870 -0.094 0.000 1.095 71 L CA 1.753 56.556 54.840 -0.062 0.000 0.770 71 L CB -0.620 41.418 42.059 -0.035 0.000 0.914 71 L HN 0.596 nan 8.230 nan 0.000 0.439 72 D N 0.411 120.751 120.400 -0.100 0.000 2.117 72 D HA -0.241 4.399 4.640 -0.000 0.000 0.198 72 D C 2.144 178.326 176.300 -0.197 0.000 0.982 72 D CA 0.861 54.790 54.000 -0.118 0.000 0.828 72 D CB 0.071 40.813 40.800 -0.097 0.000 0.967 72 D HN 0.084 nan 8.370 nan 0.000 0.464 73 L N 0.172 121.238 121.223 -0.262 0.000 2.083 73 L HA -0.031 4.309 4.340 -0.000 0.000 0.209 73 L C 2.098 178.646 176.870 -0.535 0.000 1.083 73 L CA 1.434 55.988 54.840 -0.477 0.000 0.752 73 L CB -0.600 41.136 42.059 -0.537 0.000 0.899 73 L HN 0.253 nan 8.230 nan 0.000 0.433 74 L N -0.426 120.618 121.223 -0.299 0.000 1.961 74 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 74 L C 2.874 179.623 176.870 -0.201 0.000 1.072 74 L CA 1.936 56.680 54.840 -0.159 0.000 0.749 74 L CB -0.550 41.466 42.059 -0.072 0.000 0.889 74 L HN 0.360 nan 8.230 nan 0.000 0.432 75 R N -0.177 120.185 120.500 -0.231 0.000 2.148 75 R HA -0.069 4.271 4.340 -0.000 0.000 0.227 75 R C 1.925 178.121 176.300 -0.174 0.000 1.103 75 R CA 1.405 57.322 56.100 -0.304 0.000 0.983 75 R CB -0.788 29.398 30.300 -0.188 0.000 0.874 75 R HN 0.329 nan 8.270 nan 0.000 0.451 76 G N -0.782 107.917 108.800 -0.168 0.000 2.744 76 G HA2 0.016 3.976 3.960 -0.000 0.000 0.211 76 G HA3 0.016 3.976 3.960 -0.000 0.000 0.211 76 G C 0.742 175.547 174.900 -0.159 0.000 1.146 76 G CA 0.673 45.691 45.100 -0.137 0.000 0.787 76 G HN 0.352 nan 8.290 nan 0.000 0.534 77 T N -0.980 113.434 114.554 -0.234 0.000 3.467 77 T HA 0.194 4.544 4.350 -0.000 0.000 0.258 77 T C 1.797 176.476 174.700 -0.034 0.000 0.999 77 T CA -0.360 61.596 62.100 -0.241 0.000 1.148 77 T CB -0.231 68.285 68.868 -0.586 0.000 1.186 77 T HN 0.125 nan 8.240 nan 0.000 0.401 78 F N 1.767 121.641 119.950 -0.127 0.000 2.113 78 F HA 0.051 4.578 4.527 0.000 0.000 0.297 78 F C 2.303 178.071 175.800 -0.054 0.000 1.103 78 F CA 0.641 58.596 58.000 -0.075 0.000 1.248 78 F CB -0.289 38.661 39.000 -0.083 0.000 0.999 78 F HN 0.034 nan 8.300 nan 0.000 0.475 79 L N 0.056 121.342 121.223 0.106 0.000 1.994 79 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 79 L C -0.538 176.368 176.870 0.060 0.000 1.071 79 L CA 1.533 56.392 54.840 0.032 0.000 0.745 79 L CB -2.175 39.815 42.059 -0.114 0.000 0.892 79 L HN 0.035 nan 8.230 nan 0.000 0.431 80 P HA -0.189 nan 4.420 nan 0.000 0.217 80 P C 1.263 178.620 177.300 0.095 0.000 1.148 80 P CA 1.742 64.883 63.100 0.068 0.000 0.828 80 P CB -0.003 31.724 31.700 0.046 0.000 0.783 81 A N -1.088 121.805 122.820 0.122 0.000 2.119 81 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 81 A C 1.882 179.571 177.584 0.175 0.000 1.152 81 A CA 1.100 53.224 52.037 0.145 0.000 0.708 81 A CB -1.143 17.966 19.000 0.181 0.000 0.805 81 A HN 0.375 nan 8.150 nan 0.000 0.460 82 I N -4.797 115.880 120.570 0.177 0.000 4.312 82 I HA 0.355 4.525 4.170 -0.000 0.000 0.324 82 I C 0.237 176.509 176.117 0.259 0.000 1.298 82 I CA -0.347 61.121 61.300 0.281 0.000 1.231 82 I CB 0.051 38.127 38.000 0.127 0.000 1.152 82 I HN -0.095 nan 8.210 nan 0.000 0.421 83 L N 3.399 124.721 121.223 0.164 0.000 2.453 83 L HA 0.304 4.644 4.340 -0.000 0.000 0.272 83 L C 1.451 178.387 176.870 0.110 0.000 1.182 83 L CA 1.112 56.038 54.840 0.142 0.000 0.858 83 L CB 0.613 42.745 42.059 0.121 0.000 1.120 83 L HN 0.620 nan 8.230 nan 0.000 0.474 84 G N 1.560 110.420 108.800 0.101 0.000 2.184 84 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.264 84 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.264 84 G C 0.338 175.237 174.900 -0.002 0.000 0.975 84 G CA -0.189 44.942 45.100 0.051 0.000 0.642 84 G HN 0.522 nan 8.290 nan 0.000 0.536 85 Q N 0.248 120.042 119.800 -0.009 0.000 2.212 85 Q HA 0.663 5.003 4.340 -0.000 0.000 0.238 85 Q C -0.025 175.693 176.000 -0.471 0.000 0.955 85 Q CA 0.091 55.742 55.803 -0.253 0.000 0.906 85 Q CB 1.318 29.862 28.738 -0.324 0.000 1.215 85 Q HN 0.226 nan 8.270 nan 0.000 0.478 86 T N 1.600 115.691 114.554 -0.772 0.000 2.829 86 T HA 0.708 5.058 4.350 -0.000 0.000 0.280 86 T C -0.815 173.243 174.700 -1.070 0.000 0.999 86 T CA -0.298 61.387 62.100 -0.691 0.000 0.983 86 T CB 0.349 69.012 68.868 -0.342 0.000 0.968 86 T HN 0.253 nan 8.240 nan 0.000 0.446 87 F N 0.019 119.626 119.950 -0.572 0.000 2.603 87 F HA 0.647 5.174 4.527 -0.000 0.000 0.317 87 F C 0.972 176.343 175.800 -0.715 0.000 1.066 87 F CA -1.252 56.343 58.000 -0.675 0.000 0.941 87 F CB 1.528 39.999 39.000 -0.881 0.000 1.291 87 F HN 0.619 nan 8.300 nan 0.000 0.472 88 A N 1.015 123.660 122.820 -0.290 0.000 1.997 88 A HA 0.261 4.581 4.320 -0.000 0.000 0.212 88 A C 0.027 177.338 177.584 -0.455 0.000 1.178 88 A CA 1.026 52.913 52.037 -0.250 0.000 0.698 88 A CB -0.491 18.414 19.000 -0.158 0.000 0.842 88 A HN 0.818 nan 8.150 nan 0.000 0.458 89 N N -3.996 114.399 118.700 -0.508 0.000 3.185 89 N HA 0.295 5.035 4.740 -0.000 0.000 0.238 89 N C -3.129 172.022 175.510 -0.599 0.000 1.451 89 N CA -1.440 51.094 53.050 -0.859 0.000 0.888 89 N CB 0.330 38.341 38.487 -0.795 0.000 1.413 89 N HN -0.296 nan 8.380 nan 0.000 0.511 90 P HA -0.089 nan 4.420 nan 0.000 0.216 90 P C 0.496 177.510 177.300 -0.477 0.000 1.150 90 P CA 1.520 64.163 63.100 -0.761 0.000 0.837 90 P CB 0.254 30.976 31.700 -1.631 0.000 0.786 91 E N -0.346 119.629 120.200 -0.376 0.000 2.118 91 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 91 E C 2.103 178.604 176.600 -0.166 0.000 0.992 91 E CA 1.515 57.813 56.400 -0.169 0.000 0.804 91 E CB -1.032 28.619 29.700 -0.081 0.000 0.741 91 E HN 0.177 nan 8.360 nan 0.000 0.458 92 A N 0.360 123.062 122.820 -0.198 0.000 1.969 92 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 92 A C 2.399 179.886 177.584 -0.162 0.000 1.169 92 A CA 1.052 53.028 52.037 -0.102 0.000 0.635 92 A CB -0.478 18.499 19.000 -0.038 0.000 0.810 92 A HN 0.145 nan 8.150 nan 0.000 0.445 93 V N 0.214 119.859 119.914 -0.448 0.000 2.295 93 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 93 V C 2.766 178.630 176.094 -0.384 0.000 1.049 93 V CA 2.374 64.233 62.300 -0.736 0.000 1.024 93 V CB -1.005 30.376 31.823 -0.737 0.000 0.648 93 V HN 0.569 nan 8.190 nan 0.000 0.447 94 S N 0.116 115.654 115.700 -0.269 0.000 2.383 94 S HA -0.276 4.194 4.470 -0.000 0.000 0.229 94 S C 1.807 176.323 174.600 -0.140 0.000 1.030 94 S CA 1.788 59.871 58.200 -0.195 0.000 1.002 94 S CB -0.525 62.605 63.200 -0.116 0.000 0.829 94 S HN 0.768 nan 8.310 nan 0.000 0.467 95 D N 1.803 122.143 120.400 -0.100 0.000 2.149 95 D HA -0.062 4.578 4.640 -0.000 0.000 0.198 95 D C 1.755 178.042 176.300 -0.021 0.000 0.990 95 D CA 1.173 55.144 54.000 -0.047 0.000 0.839 95 D CB -0.285 40.498 40.800 -0.029 0.000 0.948 95 D HN 0.373 nan 8.370 nan 0.000 0.460 96 A N -0.321 122.492 122.820 -0.012 0.000 2.206 96 A HA 0.100 4.420 4.320 -0.000 0.000 0.211 96 A C 1.724 179.340 177.584 0.055 0.000 1.158 96 A CA 0.223 52.295 52.037 0.059 0.000 0.761 96 A CB -0.463 18.646 19.000 0.182 0.000 0.801 96 A HN 0.375 nan 8.150 nan 0.000 0.473 97 L N -0.073 121.139 121.223 -0.018 0.000 2.672 97 L HA 0.291 4.631 4.340 -0.000 0.000 0.236 97 L C 1.368 178.380 176.870 0.236 0.000 1.186 97 L CA 0.078 54.937 54.840 0.031 0.000 0.977 97 L CB -1.275 40.535 42.059 -0.414 0.000 1.203 97 L HN 0.528 nan 8.230 nan 0.000 0.448 98 G N 0.185 109.064 108.800 0.132 0.000 2.692 98 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.248 98 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.248 98 G C 0.333 175.202 174.900 -0.051 0.000 1.340 98 G CA -0.037 45.073 45.100 0.018 0.000 0.896 98 G HN 0.209 nan 8.290 nan 0.000 0.570 99 S N 0.245 115.787 115.700 -0.263 0.000 2.582 99 S HA 0.363 4.833 4.470 -0.000 0.000 0.234 99 S C 0.378 174.888 174.600 -0.150 0.000 0.961 99 S CA -0.172 57.929 58.200 -0.165 0.000 0.953 99 S CB -0.132 62.976 63.200 -0.154 0.000 0.800 99 S HN 0.443 nan 8.310 nan 0.000 0.471 100 Y N 2.524 122.884 120.300 0.099 0.000 2.788 100 Y HA 0.052 4.602 4.550 -0.000 0.000 0.341 100 Y C 1.231 177.187 175.900 0.094 0.000 1.258 100 Y CA 0.108 58.271 58.100 0.105 0.000 1.503 100 Y CB 0.327 38.883 38.460 0.159 0.000 1.325 100 Y HN 0.001 nan 8.280 nan 0.000 0.614 101 R N 1.669 122.300 120.500 0.219 0.000 2.368 101 R HA 0.454 4.794 4.340 -0.000 0.000 0.302 101 R C 0.685 177.068 176.300 0.139 0.000 1.002 101 R CA 0.158 56.340 56.100 0.136 0.000 0.929 101 R CB 1.136 31.491 30.300 0.093 0.000 1.073 101 R HN 0.988 nan 8.270 nan 0.000 0.464 102 G N 2.524 111.393 108.800 0.116 0.000 2.569 102 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.259 102 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.259 102 G C -0.335 174.643 174.900 0.130 0.000 1.263 102 G CA -0.012 45.152 45.100 0.107 0.000 0.928 102 G HN 0.827 nan 8.290 nan 0.000 0.572 103 N N -0.546 118.220 118.700 0.110 0.000 2.746 103 N HA -0.172 4.568 4.740 -0.000 0.000 0.250 103 N C 1.515 177.109 175.510 0.140 0.000 1.055 103 N CA 1.195 54.316 53.050 0.118 0.000 0.699 103 N CB -0.294 38.267 38.487 0.123 0.000 0.919 103 N HN 0.659 nan 8.380 nan 0.000 0.548 104 R N 0.299 120.858 120.500 0.099 0.000 2.090 104 R HA 0.079 4.419 4.340 -0.000 0.000 0.228 104 R C 2.163 178.497 176.300 0.057 0.000 1.110 104 R CA 0.918 57.063 56.100 0.075 0.000 0.973 104 R CB -0.032 30.305 30.300 0.062 0.000 0.869 104 R HN 0.451 nan 8.270 nan 0.000 0.440 105 M N -0.019 119.614 119.600 0.056 0.000 2.175 105 M HA -0.057 4.423 4.480 -0.000 0.000 0.264 105 M C 2.463 178.786 176.300 0.039 0.000 1.063 105 M CA 1.555 56.874 55.300 0.031 0.000 1.119 105 M CB -0.338 32.279 32.600 0.029 0.000 1.377 105 M HN 0.127 nan 8.290 nan 0.000 0.415 106 A N 0.731 123.604 122.820 0.088 0.000 1.873 106 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 106 A C 2.153 179.853 177.584 0.194 0.000 1.186 106 A CA 1.494 53.619 52.037 0.146 0.000 0.616 106 A CB -0.571 18.534 19.000 0.176 0.000 0.823 106 A HN 0.388 nan 8.150 nan 0.000 0.442 107 R N -0.440 120.165 120.500 0.175 0.000 2.091 107 R HA -0.096 4.244 4.340 -0.000 0.000 0.238 107 R C 2.419 178.669 176.300 -0.083 0.000 1.136 107 R CA 1.259 57.312 56.100 -0.078 0.000 0.959 107 R CB -0.486 29.751 30.300 -0.105 0.000 0.856 107 R HN 0.515 nan 8.270 nan 0.000 0.437 108 A N 0.798 123.598 122.820 -0.033 0.000 1.978 108 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 108 A C 2.122 179.663 177.584 -0.073 0.000 1.170 108 A CA 1.448 53.450 52.037 -0.059 0.000 0.636 108 A CB -0.435 18.524 19.000 -0.068 0.000 0.810 108 A HN 0.224 nan 8.150 nan 0.000 0.448 109 M N -0.930 118.643 119.600 -0.046 0.000 2.117 109 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 109 M C 2.080 178.356 176.300 -0.041 0.000 1.065 109 M CA 1.474 56.743 55.300 -0.051 0.000 1.114 109 M CB -0.428 32.162 32.600 -0.017 0.000 1.361 109 M HN 0.263 nan 8.290 nan 0.000 0.408 110 V N -0.072 119.818 119.914 -0.041 0.000 2.307 110 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 110 V C 2.419 178.473 176.094 -0.067 0.000 1.045 110 V CA 1.760 64.022 62.300 -0.064 0.000 1.024 110 V CB -0.704 31.040 31.823 -0.131 0.000 0.651 110 V HN 0.473 nan 8.190 nan 0.000 0.449 111 E N -0.087 120.074 120.200 -0.065 0.000 2.106 111 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 111 E C 2.168 178.867 176.600 0.165 0.000 0.984 111 E CA 1.488 57.886 56.400 -0.003 0.000 0.806 111 E CB -0.056 29.656 29.700 0.020 0.000 0.750 111 E HN 0.566 nan 8.360 nan 0.000 0.458 112 M N -0.370 119.302 119.600 0.120 0.000 2.236 112 M HA -0.000 4.480 4.480 -0.000 0.000 0.266 112 M C 2.376 178.857 176.300 0.302 0.000 1.070 112 M CA 1.086 56.519 55.300 0.221 0.000 1.137 112 M CB -0.044 32.447 32.600 -0.182 0.000 1.378 112 M HN 0.056 nan 8.290 nan 0.000 0.426 113 A N 0.632 123.526 122.820 0.123 0.000 1.930 113 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 113 A C 2.373 180.016 177.584 0.099 0.000 1.175 113 A CA 1.747 53.855 52.037 0.118 0.000 0.627 113 A CB -0.794 18.226 19.000 0.034 0.000 0.815 113 A HN 0.462 nan 8.150 nan 0.000 0.443 114 A N -1.315 121.535 122.820 0.051 0.000 1.902 114 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 114 A C 1.969 179.525 177.584 -0.048 0.000 1.181 114 A CA 1.329 53.342 52.037 -0.040 0.000 0.623 114 A CB -0.893 18.032 19.000 -0.125 0.000 0.818 114 A HN 0.739 nan 8.150 nan 0.000 0.443 115 W N -0.015 121.347 121.300 0.104 0.000 2.338 115 W HA -0.173 4.487 4.660 -0.000 0.000 0.304 115 W C 2.088 178.663 176.519 0.094 0.000 1.212 115 W CA 1.423 58.867 57.345 0.165 0.000 1.264 115 W CB -0.182 29.429 29.460 0.251 0.000 1.142 115 W HN 0.448 nan 8.180 nan 0.000 0.512 116 D N -0.000 120.587 120.400 0.312 0.000 2.097 116 D HA -0.198 4.442 4.640 -0.000 0.000 0.195 116 D C 2.036 178.342 176.300 0.010 0.000 0.989 116 D CA 1.369 55.435 54.000 0.110 0.000 0.827 116 D CB -0.493 40.381 40.800 0.124 0.000 0.966 116 D HN 0.023 nan 8.370 nan 0.000 0.456 117 L N 0.574 121.784 121.223 -0.022 0.000 2.017 117 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 117 L C 2.215 178.960 176.870 -0.208 0.000 1.073 117 L CA 1.790 56.557 54.840 -0.122 0.000 0.745 117 L CB -0.848 41.119 42.059 -0.153 0.000 0.894 117 L HN 0.389 nan 8.230 nan 0.000 0.432 118 W N 0.270 121.261 121.300 -0.514 0.000 2.381 118 W HA -0.172 4.488 4.660 0.000 0.000 0.301 118 W C 2.014 178.375 176.519 -0.264 0.000 1.205 118 W CA 1.416 58.388 57.345 -0.621 0.000 1.285 118 W CB -0.269 28.765 29.460 -0.710 0.000 1.133 118 W HN 0.329 nan 8.180 nan 0.000 0.521 119 A N 1.414 124.069 122.820 -0.275 0.000 1.972 119 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 119 A C 2.018 179.427 177.584 -0.292 0.000 1.169 119 A CA 1.602 53.437 52.037 -0.337 0.000 0.635 119 A CB -0.755 18.168 19.000 -0.128 0.000 0.810 119 A HN 0.402 nan 8.150 nan 0.000 0.446 120 R N -0.663 119.710 120.500 -0.210 0.000 2.153 120 R HA -0.050 4.290 4.340 -0.000 0.000 0.218 120 R C 2.363 178.563 176.300 -0.165 0.000 1.072 120 R CA 1.513 57.518 56.100 -0.158 0.000 0.990 120 R CB -0.378 29.859 30.300 -0.104 0.000 0.889 120 R HN 0.746 nan 8.270 nan 0.000 0.452 121 T N -1.187 113.240 114.554 -0.211 0.000 2.904 121 T HA -0.020 4.330 4.350 -0.000 0.000 0.267 121 T C 1.742 176.307 174.700 -0.225 0.000 1.059 121 T CA 0.816 62.812 62.100 -0.173 0.000 1.137 121 T CB -0.070 68.723 68.868 -0.125 0.000 0.879 121 T HN 0.129 nan 8.240 nan 0.000 0.467 122 L N 0.483 121.485 121.223 -0.370 0.000 2.509 122 L HA 0.340 4.680 4.340 -0.000 0.000 0.222 122 L C 2.123 178.864 176.870 -0.216 0.000 1.123 122 L CA 0.485 55.120 54.840 -0.341 0.000 0.856 122 L CB -0.741 41.011 42.059 -0.511 0.000 0.985 122 L HN 0.591 nan 8.230 nan 0.000 0.456 123 G N 0.884 109.571 108.800 -0.188 0.000 2.160 123 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.251 123 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.251 123 G C 0.011 174.837 174.900 -0.124 0.000 1.008 123 G CA 0.210 45.233 45.100 -0.129 0.000 0.724 123 G HN 0.151 nan 8.290 nan 0.000 0.514 124 V N 0.591 120.409 119.914 -0.160 0.000 2.581 124 V HA 0.564 4.684 4.120 -0.000 0.000 0.303 124 V C -1.859 174.150 176.094 -0.142 0.000 1.041 124 V CA -2.024 60.197 62.300 -0.131 0.000 0.907 124 V CB 2.130 33.872 31.823 -0.135 0.000 0.994 124 V HN 0.061 nan 8.190 nan 0.000 0.442 125 P HA 0.057 nan 4.420 nan 0.000 0.266 125 P C 0.597 177.744 177.300 -0.256 0.000 1.195 125 P CA -0.115 62.884 63.100 -0.169 0.000 0.768 125 P CB 0.647 32.325 31.700 -0.037 0.000 0.838 126 L N 4.797 125.713 121.223 -0.511 0.000 1.970 126 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 126 L C 2.354 179.006 176.870 -0.363 0.000 1.071 126 L CA 2.772 57.334 54.840 -0.464 0.000 0.751 126 L CB -1.771 39.878 42.059 -0.683 0.000 0.889 126 L HN 0.535 nan 8.230 nan 0.000 0.432 127 G N -1.759 106.871 108.800 -0.284 0.000 2.556 127 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.220 127 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.220 127 G C 1.467 176.319 174.900 -0.080 0.000 1.156 127 G CA 1.551 46.602 45.100 -0.082 0.000 0.766 127 G HN 0.473 nan 8.290 nan 0.000 0.583 128 T N 1.030 115.558 114.554 -0.044 0.000 2.788 128 T HA -0.009 4.341 4.350 -0.000 0.000 0.268 128 T C 2.384 177.083 174.700 -0.002 0.000 1.044 128 T CA 0.920 63.015 62.100 -0.008 0.000 1.139 128 T CB -0.154 68.710 68.868 -0.006 0.000 0.867 128 T HN 0.173 nan 8.240 nan 0.000 0.454 129 L N 0.284 121.497 121.223 -0.016 0.000 2.156 129 L HA 0.079 4.419 4.340 -0.000 0.000 0.208 129 L C 2.117 179.012 176.870 0.041 0.000 1.095 129 L CA 0.868 55.753 54.840 0.076 0.000 0.770 129 L CB -0.354 41.826 42.059 0.200 0.000 0.914 129 L HN 0.274 nan 8.230 nan 0.000 0.439 130 L N -0.838 120.310 121.223 -0.125 0.000 2.492 130 L HA 0.096 4.436 4.340 -0.000 0.000 0.223 130 L C 1.479 178.313 176.870 -0.060 0.000 1.132 130 L CA 0.726 55.450 54.840 -0.193 0.000 0.850 130 L CB -0.278 41.551 42.059 -0.383 0.000 0.966 130 L HN 0.487 nan 8.230 nan 0.000 0.454 131 G N -0.465 108.330 108.800 -0.007 0.000 2.184 131 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.206 131 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.206 131 G C 0.517 175.457 174.900 0.068 0.000 0.995 131 G CA -0.339 44.795 45.100 0.057 0.000 0.651 131 G HN 0.476 nan 8.290 nan 0.000 0.511 132 G N -0.301 108.492 108.800 -0.012 0.000 2.467 132 G HA2 0.601 4.561 3.960 -0.000 0.000 0.257 132 G HA3 0.601 4.561 3.960 -0.000 0.000 0.257 132 G C 0.141 175.048 174.900 0.012 0.000 1.227 132 G CA 0.303 45.359 45.100 -0.073 0.000 0.835 132 G HN 1.364 nan 8.290 nan 0.000 0.556 133 H N -1.641 117.427 119.070 -0.003 0.000 2.985 133 H HA 0.358 4.914 4.556 0.000 0.000 0.246 133 H C 0.237 175.563 175.328 -0.003 0.000 1.181 133 H CA -0.679 55.369 56.048 -0.001 0.000 0.972 133 H CB -0.148 29.619 29.762 0.009 0.000 2.016 133 H HN 0.318 nan 8.280 nan 0.000 0.672 134 K N 0.975 121.304 120.400 -0.118 0.000 2.237 134 K HA 0.148 4.468 4.320 -0.000 0.000 0.270 134 K C 0.219 176.797 176.600 -0.036 0.000 1.015 134 K CA -0.136 56.113 56.287 -0.063 0.000 0.949 134 K CB 1.276 33.722 32.500 -0.090 0.000 0.976 134 K HN 0.439 nan 8.250 nan 0.000 0.472 135 E N 1.024 121.211 120.200 -0.021 0.000 2.489 135 E HA -0.038 4.312 4.350 -0.000 0.000 0.204 135 E C -0.236 176.336 176.600 -0.045 0.000 1.006 135 E CA 0.077 56.462 56.400 -0.025 0.000 0.936 135 E CB 0.678 30.375 29.700 -0.004 0.000 1.002 135 E HN 0.485 nan 8.360 nan 0.000 0.488 136 Q N 0.373 120.145 119.800 -0.046 0.000 2.426 136 Q HA 0.434 4.774 4.340 -0.000 0.000 0.278 136 Q C -0.994 174.980 176.000 -0.044 0.000 1.007 136 Q CA -0.872 54.902 55.803 -0.048 0.000 0.850 136 Q CB 1.898 30.617 28.738 -0.031 0.000 1.427 136 Q HN -0.022 nan 8.270 nan 0.000 0.391 137 V N -1.545 118.343 119.914 -0.043 0.000 2.715 137 V HA 0.601 4.721 4.120 -0.000 0.000 0.310 137 V C -0.325 175.776 176.094 0.013 0.000 1.054 137 V CA -0.841 61.444 62.300 -0.025 0.000 0.928 137 V CB 1.791 33.578 31.823 -0.061 0.000 1.007 137 V HN 0.862 nan 8.190 nan 0.000 0.437 138 E N 2.051 122.275 120.200 0.040 0.000 2.354 138 E HA 0.557 4.907 4.350 -0.000 0.000 0.269 138 E C -0.510 176.144 176.600 0.089 0.000 1.036 138 E CA -0.392 56.042 56.400 0.057 0.000 0.876 138 E CB 1.974 31.710 29.700 0.060 0.000 1.009 138 E HN 0.930 nan 8.360 nan 0.000 0.416 139 V N -1.105 118.876 119.914 0.113 0.000 3.007 139 V HA 0.887 5.007 4.120 -0.000 0.000 0.311 139 V C -0.005 176.210 176.094 0.202 0.000 1.120 139 V CA -0.696 61.700 62.300 0.160 0.000 0.980 139 V CB 1.746 33.694 31.823 0.208 0.000 1.033 139 V HN 0.725 nan 8.190 nan 0.000 0.429 140 G N 0.990 109.843 108.800 0.088 0.000 3.175 140 G HA2 0.860 4.820 3.960 -0.000 0.000 0.255 140 G HA3 0.860 4.820 3.960 -0.000 0.000 0.255 140 G C -0.776 173.964 174.900 -0.267 0.000 1.352 140 G CA -0.353 44.731 45.100 -0.026 0.000 1.037 140 G HN 1.838 nan 8.290 nan 0.000 0.556 141 V N -2.233 117.445 119.914 -0.395 0.000 2.876 141 V HA 0.817 4.937 4.120 -0.000 0.000 0.312 141 V C -0.386 175.503 176.094 -0.341 0.000 1.085 141 V CA -1.024 60.983 62.300 -0.488 0.000 0.945 141 V CB 1.440 32.770 31.823 -0.821 0.000 1.017 141 V HN 0.825 nan 8.190 nan 0.000 0.428 142 S N 3.864 119.413 115.700 -0.252 0.000 2.454 142 S HA 0.842 5.312 4.470 -0.000 0.000 0.306 142 S C -0.600 173.887 174.600 -0.188 0.000 1.100 142 S CA -0.681 57.418 58.200 -0.168 0.000 1.087 142 S CB 1.359 64.531 63.200 -0.045 0.000 1.019 142 S HN 0.688 nan 8.310 nan 0.000 0.480 143 L N 2.285 123.410 121.223 -0.164 0.000 2.346 143 L HA 0.653 4.993 4.340 -0.000 0.000 0.276 143 L C 1.073 177.919 176.870 -0.040 0.000 1.006 143 L CA -0.949 53.812 54.840 -0.131 0.000 0.817 143 L CB 1.527 43.497 42.059 -0.148 0.000 1.272 143 L HN 0.867 nan 8.230 nan 0.000 0.421 144 G N 1.942 110.735 108.800 -0.011 0.000 2.583 144 G HA2 0.351 4.311 3.960 -0.000 0.000 0.275 144 G HA3 0.351 4.311 3.960 -0.000 0.000 0.275 144 G C -0.168 174.774 174.900 0.070 0.000 1.342 144 G CA -0.600 44.520 45.100 0.032 0.000 1.030 144 G HN 0.451 nan 8.290 nan 0.000 0.520 145 I N 0.791 121.421 120.570 0.100 0.000 2.496 145 I HA 0.104 4.274 4.170 -0.000 0.000 0.285 145 I C 0.404 176.596 176.117 0.125 0.000 1.080 145 I CA -0.045 61.358 61.300 0.170 0.000 1.404 145 I CB 1.209 39.311 38.000 0.170 0.000 1.403 145 I HN 0.247 nan 8.210 nan 0.000 0.539 146 Q N 4.166 124.086 119.800 0.201 0.000 2.194 146 Q HA 0.469 4.809 4.340 -0.000 0.000 0.245 146 Q C 0.816 176.843 176.000 0.044 0.000 0.993 146 Q CA -0.432 55.448 55.803 0.129 0.000 0.930 146 Q CB 1.196 30.032 28.738 0.163 0.000 1.238 146 Q HN 0.732 nan 8.270 nan 0.000 0.486 147 A N 0.296 123.110 122.820 -0.011 0.000 1.968 147 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 147 A C 0.039 177.515 177.584 -0.179 0.000 1.169 147 A CA 1.923 53.885 52.037 -0.125 0.000 0.638 147 A CB -0.115 18.841 19.000 -0.073 0.000 0.812 147 A HN 0.768 nan 8.150 nan 0.000 0.446 148 D N -4.135 116.298 120.400 0.055 0.000 2.713 148 D HA 0.188 4.828 4.640 -0.000 0.000 0.306 148 D C 0.125 176.676 176.300 0.418 0.000 1.299 148 D CA -0.310 53.811 54.000 0.201 0.000 0.823 148 D CB -0.191 40.654 40.800 0.075 0.000 1.353 148 D HN -0.011 nan 8.370 nan 0.000 0.447 149 E N -0.900 119.544 120.200 0.407 0.000 2.085 149 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 149 E C 1.321 178.001 176.600 0.132 0.000 0.994 149 E CA 1.416 57.948 56.400 0.220 0.000 0.801 149 E CB 0.011 29.790 29.700 0.132 0.000 0.743 149 E HN 0.399 nan 8.360 nan 0.000 0.453 150 Q N 0.586 120.454 119.800 0.113 0.000 2.137 150 Q HA -0.007 4.333 4.340 -0.000 0.000 0.198 150 Q C 1.913 177.963 176.000 0.084 0.000 0.960 150 Q CA 1.501 57.351 55.803 0.078 0.000 0.847 150 Q CB -0.220 28.551 28.738 0.056 0.000 0.915 150 Q HN 0.243 nan 8.270 nan 0.000 0.448 151 A N -0.825 122.051 122.820 0.093 0.000 1.969 151 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 151 A C 2.228 179.869 177.584 0.095 0.000 1.169 151 A CA 1.840 53.926 52.037 0.081 0.000 0.635 151 A CB -0.893 18.148 19.000 0.069 0.000 0.810 151 A HN 0.445 nan 8.150 nan 0.000 0.445 152 T N -0.280 114.348 114.554 0.124 0.000 2.674 152 T HA -0.131 4.219 4.350 -0.000 0.000 0.265 152 T C 1.897 176.651 174.700 0.090 0.000 1.039 152 T CA 1.732 63.898 62.100 0.110 0.000 1.150 152 T CB -0.456 68.484 68.868 0.120 0.000 0.864 152 T HN 0.152 nan 8.240 nan 0.000 0.427 153 V N 2.181 122.157 119.914 0.104 0.000 2.407 153 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 153 V C 2.340 178.539 176.094 0.174 0.000 1.055 153 V CA 1.735 64.129 62.300 0.156 0.000 1.049 153 V CB -0.637 31.266 31.823 0.134 0.000 0.662 153 V HN 0.445 nan 8.190 nan 0.000 0.455 154 D N -0.038 120.433 120.400 0.118 0.000 2.092 154 D HA -0.169 4.471 4.640 -0.000 0.000 0.193 154 D C 1.985 178.341 176.300 0.093 0.000 0.994 154 D CA 1.254 55.314 54.000 0.100 0.000 0.828 154 D CB -0.402 40.437 40.800 0.066 0.000 0.963 154 D HN 0.349 nan 8.370 nan 0.000 0.450 155 L N 0.729 122.005 121.223 0.089 0.000 2.083 155 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 155 L C 2.237 179.208 176.870 0.168 0.000 1.083 155 L CA 1.157 56.063 54.840 0.109 0.000 0.752 155 L CB -0.336 41.783 42.059 0.100 0.000 0.899 155 L HN -0.134 nan 8.230 nan 0.000 0.433 156 V N -0.036 119.929 119.914 0.086 0.000 2.343 156 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 156 V C 2.785 178.833 176.094 -0.076 0.000 1.051 156 V CA 2.106 64.395 62.300 -0.018 0.000 1.036 156 V CB -0.708 31.048 31.823 -0.111 0.000 0.654 156 V HN 0.547 nan 8.190 nan 0.000 0.451 157 R N 0.003 120.522 120.500 0.032 0.000 2.081 157 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 157 R C 2.524 178.850 176.300 0.043 0.000 1.131 157 R CA 1.598 57.769 56.100 0.119 0.000 0.960 157 R CB -0.235 30.253 30.300 0.313 0.000 0.856 157 R HN 0.412 nan 8.270 nan 0.000 0.436 158 R N -0.837 119.671 120.500 0.013 0.000 2.113 158 R HA -0.199 4.141 4.340 -0.000 0.000 0.244 158 R C 2.155 178.370 176.300 -0.141 0.000 1.142 158 R CA 2.296 58.340 56.100 -0.094 0.000 0.953 158 R CB -0.470 29.719 30.300 -0.184 0.000 0.860 158 R HN 0.493 nan 8.270 nan 0.000 0.438 159 H N -0.999 118.067 119.070 -0.006 0.000 2.436 159 H HA 0.004 4.560 4.556 -0.000 0.000 0.294 159 H C 1.984 177.345 175.328 0.055 0.000 1.048 159 H CA 1.060 57.151 56.048 0.071 0.000 1.353 159 H CB 0.185 29.951 29.762 0.008 0.000 1.414 159 H HN -0.060 nan 8.280 nan 0.000 0.536 160 V N 0.745 120.671 119.914 0.021 0.000 2.515 160 V HA -0.179 3.941 4.120 -0.000 0.000 0.250 160 V C 1.704 177.792 176.094 -0.010 0.000 1.058 160 V CA 1.674 63.937 62.300 -0.061 0.000 1.064 160 V CB -0.259 31.396 31.823 -0.279 0.000 0.675 160 V HN 0.496 nan 8.190 nan 0.000 0.461 161 E N -0.444 119.757 120.200 0.002 0.000 2.418 161 E HA -0.143 4.207 4.350 -0.000 0.000 0.197 161 E C 1.885 178.461 176.600 -0.040 0.000 1.026 161 E CA 0.337 56.735 56.400 -0.003 0.000 0.862 161 E CB 0.015 29.718 29.700 0.006 0.000 0.799 161 E HN 0.479 nan 8.360 nan 0.000 0.518 162 Q N -0.654 119.116 119.800 -0.050 0.000 2.403 162 Q HA 0.060 4.400 4.340 -0.000 0.000 0.203 162 Q C 1.106 176.959 176.000 -0.245 0.000 0.932 162 Q CA 0.609 56.331 55.803 -0.134 0.000 0.945 162 Q CB 1.003 29.673 28.738 -0.113 0.000 1.045 162 Q HN 0.411 nan 8.270 nan 0.000 0.511 163 G N 0.324 109.037 108.800 -0.145 0.000 2.143 163 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.249 163 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.249 163 G C -0.156 174.653 174.900 -0.151 0.000 0.981 163 G CA -0.093 44.921 45.100 -0.144 0.000 0.665 163 G HN 0.379 nan 8.290 nan 0.000 0.528 164 Y N 0.080 120.367 120.300 -0.022 0.000 2.712 164 Y HA 0.239 4.789 4.550 0.000 0.000 0.333 164 Y C 2.040 177.909 175.900 -0.052 0.000 1.225 164 Y CA 0.402 58.485 58.100 -0.027 0.000 1.499 164 Y CB 0.453 38.903 38.460 -0.017 0.000 1.288 164 Y HN 0.125 nan 8.280 nan 0.000 0.575 165 R N 1.603 122.177 120.500 0.124 0.000 2.310 165 R HA 0.104 4.444 4.340 -0.000 0.000 0.202 165 R C 0.262 176.554 176.300 -0.014 0.000 0.933 165 R CA 0.205 56.325 56.100 0.034 0.000 1.054 165 R CB 0.319 30.635 30.300 0.027 0.000 0.985 165 R HN 0.386 nan 8.270 nan 0.000 0.489 166 R N 0.928 121.409 120.500 -0.032 0.000 2.604 166 R HA 0.259 4.599 4.340 -0.000 0.000 0.270 166 R C -1.802 174.403 176.300 -0.159 0.000 1.052 166 R CA -0.529 55.496 56.100 -0.125 0.000 0.902 166 R CB 1.421 31.610 30.300 -0.185 0.000 1.233 166 R HN -0.074 nan 8.270 nan 0.000 0.455 167 I N 3.619 124.070 120.570 -0.199 0.000 2.389 167 I HA 0.348 4.518 4.170 -0.000 0.000 0.288 167 I C -0.063 175.912 176.117 -0.237 0.000 0.999 167 I CA -0.686 60.479 61.300 -0.225 0.000 1.129 167 I CB 1.603 39.471 38.000 -0.220 0.000 1.288 167 I HN 0.493 nan 8.210 nan 0.000 0.444 168 K N 7.696 127.959 120.400 -0.229 0.000 2.293 168 K HA 0.624 4.944 4.320 -0.000 0.000 0.267 168 K C -1.409 175.112 176.600 -0.132 0.000 1.010 168 K CA -0.493 55.685 56.287 -0.182 0.000 0.875 168 K CB 1.068 33.479 32.500 -0.147 0.000 1.106 168 K HN 0.539 nan 8.250 nan 0.000 0.450 169 L N 4.221 125.381 121.223 -0.105 0.000 2.295 169 L HA 0.409 4.749 4.340 -0.000 0.000 0.285 169 L C 0.352 177.217 176.870 -0.008 0.000 1.035 169 L CA -0.884 53.917 54.840 -0.065 0.000 0.806 169 L CB 1.340 43.348 42.059 -0.086 0.000 1.214 169 L HN 0.588 nan 8.230 nan 0.000 0.426 170 K N 3.906 124.325 120.400 0.032 0.000 2.414 170 K HA 0.418 4.738 4.320 -0.000 0.000 0.272 170 K C -0.449 176.212 176.600 0.101 0.000 0.993 170 K CA -0.005 56.333 56.287 0.084 0.000 0.964 170 K CB 0.736 33.295 32.500 0.098 0.000 0.925 170 K HN 0.596 nan 8.250 nan 0.000 0.487 171 I N -1.018 119.639 120.570 0.145 0.000 3.191 171 I HA 0.591 4.761 4.170 -0.000 0.000 0.313 171 I C -1.362 174.912 176.117 0.260 0.000 1.193 171 I CA -1.080 60.331 61.300 0.184 0.000 0.968 171 I CB 2.321 40.400 38.000 0.132 0.000 1.262 171 I HN 0.635 nan 8.210 nan 0.000 0.456 172 K N 0.976 121.542 120.400 0.276 0.000 2.533 172 K HA 0.640 4.960 4.320 -0.000 0.000 0.284 172 K C -3.309 173.368 176.600 0.128 0.000 1.025 172 K CA -1.637 54.737 56.287 0.144 0.000 0.900 172 K CB 1.990 34.548 32.500 0.096 0.000 1.519 172 K HN 0.341 nan 8.250 nan 0.000 0.432 173 P HA 0.162 nan 4.420 nan 0.000 0.286 173 P C -0.239 177.092 177.300 0.052 0.000 1.269 173 P CA -0.168 62.918 63.100 -0.024 0.000 0.787 173 P CB 1.175 32.759 31.700 -0.193 0.000 0.920 174 G N 2.826 111.701 108.800 0.126 0.000 4.464 174 G HA2 0.122 4.082 3.960 -0.000 0.000 0.297 174 G HA3 0.122 4.082 3.960 -0.000 0.000 0.297 174 G C -0.785 174.317 174.900 0.336 0.000 1.342 174 G CA -0.447 44.766 45.100 0.188 0.000 1.335 174 G HN 0.576 nan 8.290 nan 0.000 0.609 175 W N 2.669 124.002 121.300 0.056 0.000 2.374 175 W HA 0.306 4.966 4.660 0.000 0.000 0.302 175 W C -0.680 175.889 176.519 0.084 0.000 0.942 175 W CA -0.798 56.579 57.345 0.054 0.000 1.666 175 W CB 0.878 30.359 29.460 0.035 0.000 1.593 175 W HN 0.658 nan 8.180 nan 0.000 0.412 176 D N -0.352 119.992 120.400 -0.093 0.000 2.846 176 D HA -0.052 4.588 4.640 -0.000 0.000 0.200 176 D C 1.524 177.693 176.300 -0.218 0.000 1.421 176 D CA 0.059 53.992 54.000 -0.112 0.000 1.400 176 D CB 0.152 41.007 40.800 0.091 0.000 1.461 176 D HN -0.036 nan 8.370 nan 0.000 0.352 177 V N 0.810 120.648 119.914 -0.127 0.000 2.490 177 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 177 V C 2.158 178.083 176.094 -0.281 0.000 1.061 177 V CA 2.071 64.304 62.300 -0.113 0.000 1.064 177 V CB -0.799 31.034 31.823 0.016 0.000 0.670 177 V HN 0.142 nan 8.190 nan 0.000 0.461 178 Q N -0.122 119.431 119.800 -0.412 0.000 1.994 178 Q HA -0.061 4.279 4.340 -0.000 0.000 0.198 178 Q C 0.066 175.700 176.000 -0.611 0.000 0.976 178 Q CA 1.641 57.147 55.803 -0.495 0.000 0.828 178 Q CB -1.808 26.610 28.738 -0.533 0.000 0.894 178 Q HN 0.466 nan 8.270 nan 0.000 0.432 179 P HA -0.197 nan 4.420 nan 0.000 0.216 179 P C 1.189 178.258 177.300 -0.385 0.000 1.154 179 P CA 1.217 63.958 63.100 -0.599 0.000 0.865 179 P CB 0.002 31.289 31.700 -0.689 0.000 0.789 180 V N -0.238 119.426 119.914 -0.416 0.000 2.323 180 V HA -0.192 3.928 4.120 -0.000 0.000 0.244 180 V C 2.707 178.457 176.094 -0.574 0.000 1.041 180 V CA 1.769 63.834 62.300 -0.391 0.000 1.025 180 V CB -0.992 30.639 31.823 -0.322 0.000 0.656 180 V HN 0.066 nan 8.190 nan 0.000 0.451 181 R N 0.308 120.351 120.500 -0.762 0.000 2.096 181 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 181 R C 2.220 178.281 176.300 -0.398 0.000 1.127 181 R CA 1.702 57.266 56.100 -0.894 0.000 0.968 181 R CB -0.359 29.599 30.300 -0.571 0.000 0.861 181 R HN 0.482 nan 8.270 nan 0.000 0.440 182 A N 0.070 122.727 122.820 -0.272 0.000 1.854 182 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 182 A C 2.195 179.732 177.584 -0.078 0.000 1.192 182 A CA 1.842 53.798 52.037 -0.135 0.000 0.611 182 A CB -0.969 17.975 19.000 -0.092 0.000 0.832 182 A HN 0.425 nan 8.150 nan 0.000 0.442 183 T N -0.406 114.105 114.554 -0.073 0.000 2.699 183 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 183 T C 2.139 176.886 174.700 0.077 0.000 1.036 183 T CA 1.918 64.046 62.100 0.047 0.000 1.147 183 T CB -0.244 68.607 68.868 -0.028 0.000 0.862 183 T HN 0.463 nan 8.240 nan 0.000 0.446 184 R N 1.271 121.734 120.500 -0.062 0.000 2.075 184 R HA 0.017 4.357 4.340 -0.000 0.000 0.232 184 R C 2.156 178.467 176.300 0.018 0.000 1.126 184 R CA 1.607 57.699 56.100 -0.013 0.000 0.963 184 R CB -0.537 29.723 30.300 -0.067 0.000 0.858 184 R HN 0.469 nan 8.270 nan 0.000 0.435 185 E N -0.444 119.737 120.200 -0.030 0.000 2.031 185 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 185 E C 1.899 178.448 176.600 -0.085 0.000 0.994 185 E CA 1.463 57.843 56.400 -0.032 0.000 0.800 185 E CB -0.244 29.433 29.700 -0.037 0.000 0.752 185 E HN 0.446 nan 8.360 nan 0.000 0.447 186 A N 0.439 123.176 122.820 -0.139 0.000 1.940 186 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 186 A C 0.708 177.935 177.584 -0.594 0.000 1.176 186 A CA 1.187 52.990 52.037 -0.390 0.000 0.631 186 A CB -0.245 18.473 19.000 -0.470 0.000 0.814 186 A HN 0.224 nan 8.150 nan 0.000 0.446 187 F N -0.781 119.154 119.950 -0.026 0.000 2.564 187 F HA 0.332 4.859 4.527 -0.000 0.000 0.361 187 F C -1.856 173.932 175.800 -0.019 0.000 1.161 187 F CA -1.793 56.194 58.000 -0.021 0.000 1.198 187 F CB 1.737 40.722 39.000 -0.024 0.000 1.424 187 F HN 0.053 nan 8.300 nan 0.000 0.517 188 P HA 0.005 nan 4.420 nan 0.000 0.241 188 P C 0.248 177.588 177.300 0.066 0.000 1.191 188 P CA 0.956 64.099 63.100 0.070 0.000 0.771 188 P CB 0.550 32.271 31.700 0.035 0.000 0.929 189 D N -0.240 120.209 120.400 0.082 0.000 2.449 189 D HA 0.121 4.761 4.640 -0.000 0.000 0.210 189 D C 1.279 177.604 176.300 0.041 0.000 1.094 189 D CA -0.076 53.956 54.000 0.054 0.000 0.846 189 D CB 0.519 41.349 40.800 0.050 0.000 1.003 189 D HN 0.306 nan 8.370 nan 0.000 0.504 190 I N -1.116 119.486 120.570 0.053 0.000 2.938 190 I HA 0.177 4.347 4.170 -0.000 0.000 0.285 190 I C 0.465 176.560 176.117 -0.036 0.000 1.182 190 I CA -0.534 60.763 61.300 -0.005 0.000 1.388 190 I CB 0.916 38.881 38.000 -0.058 0.000 1.390 190 I HN -0.421 nan 8.210 nan 0.000 0.600 191 R N 3.706 124.168 120.500 -0.064 0.000 2.296 191 R HA 0.430 4.770 4.340 -0.000 0.000 0.323 191 R C -1.162 175.045 176.300 -0.154 0.000 1.067 191 R CA -0.554 55.485 56.100 -0.102 0.000 0.946 191 R CB 0.633 30.873 30.300 -0.100 0.000 0.991 191 R HN 0.592 nan 8.270 nan 0.000 0.448 192 L N 3.683 124.803 121.223 -0.170 0.000 2.385 192 L HA 0.465 4.805 4.340 -0.000 0.000 0.273 192 L C -0.453 176.249 176.870 -0.279 0.000 0.990 192 L CA -0.091 54.630 54.840 -0.198 0.000 0.821 192 L CB 2.146 44.127 42.059 -0.131 0.000 1.279 192 L HN 0.710 nan 8.230 nan 0.000 0.412 193 T N 1.853 116.204 114.554 -0.338 0.000 2.888 193 T HA 0.874 5.224 4.350 -0.000 0.000 0.288 193 T C -0.521 174.034 174.700 -0.241 0.000 1.063 193 T CA -0.196 61.638 62.100 -0.443 0.000 1.010 193 T CB 1.613 69.993 68.868 -0.812 0.000 1.214 193 T HN 0.937 nan 8.240 nan 0.000 0.533 194 V N -1.520 118.302 119.914 -0.153 0.000 3.040 194 V HA 0.791 4.911 4.120 -0.000 0.000 0.312 194 V C -1.590 174.551 176.094 0.078 0.000 1.115 194 V CA -0.944 61.334 62.300 -0.037 0.000 0.998 194 V CB 1.981 33.785 31.823 -0.031 0.000 1.042 194 V HN 1.013 nan 8.190 nan 0.000 0.433 195 D N 2.140 122.601 120.400 0.101 0.000 2.414 195 D HA 0.688 5.328 4.640 -0.000 0.000 0.232 195 D C 0.593 176.994 176.300 0.167 0.000 1.070 195 D CA 0.105 54.205 54.000 0.165 0.000 0.839 195 D CB 1.874 42.774 40.800 0.166 0.000 1.079 195 D HN 0.922 nan 8.370 nan 0.000 0.521 196 A N 4.071 127.002 122.820 0.185 0.000 2.251 196 A HA 0.030 4.350 4.320 -0.000 0.000 0.209 196 A C 1.221 178.995 177.584 0.317 0.000 1.187 196 A CA 0.191 52.386 52.037 0.263 0.000 0.823 196 A CB -0.384 18.701 19.000 0.140 0.000 0.846 196 A HN 0.681 nan 8.150 nan 0.000 0.486 197 N N -0.791 118.052 118.700 0.238 0.000 2.714 197 N HA -0.207 4.533 4.740 -0.000 0.000 0.250 197 N C 0.108 175.741 175.510 0.204 0.000 1.117 197 N CA 1.116 54.289 53.050 0.205 0.000 0.719 197 N CB -1.966 36.626 38.487 0.175 0.000 1.081 197 N HN 0.451 nan 8.380 nan 0.000 0.557 198 S N -3.172 112.674 115.700 0.243 0.000 3.581 198 S HA -0.204 4.266 4.470 -0.000 0.000 0.354 198 S C 0.627 175.341 174.600 0.189 0.000 1.059 198 S CA 1.039 59.380 58.200 0.236 0.000 1.060 198 S CB -1.719 61.625 63.200 0.239 0.000 0.908 198 S HN 0.997 nan 8.310 nan 0.000 0.475 199 A N -0.704 122.240 122.820 0.206 0.000 2.637 199 A HA 0.643 4.963 4.320 -0.000 0.000 0.293 199 A C -0.088 177.357 177.584 -0.232 0.000 1.216 199 A CA -0.094 51.938 52.037 -0.008 0.000 0.956 199 A CB 0.375 19.324 19.000 -0.084 0.000 1.174 199 A HN 0.499 nan 8.150 nan 0.000 0.525 200 Y N -1.172 119.164 120.300 0.061 0.000 2.669 200 Y HA 0.647 5.197 4.550 0.000 0.000 0.335 200 Y C 0.562 176.472 175.900 0.016 0.000 1.116 200 Y CA -0.380 57.746 58.100 0.043 0.000 1.081 200 Y CB 1.879 40.370 38.460 0.052 0.000 1.297 200 Y HN 0.159 nan 8.280 nan 0.000 0.484 201 T N -2.298 112.370 114.554 0.191 0.000 2.865 201 T HA 0.381 4.731 4.350 -0.000 0.000 0.294 201 T C 0.443 175.182 174.700 0.066 0.000 1.119 201 T CA -0.956 61.192 62.100 0.080 0.000 1.007 201 T CB 0.988 69.883 68.868 0.044 0.000 1.225 201 T HN 0.587 nan 8.240 nan 0.000 0.515 202 L N 0.584 121.816 121.223 0.015 0.000 2.189 202 L HA -0.116 4.224 4.340 -0.000 0.000 0.214 202 L C 3.100 179.986 176.870 0.027 0.000 1.097 202 L CA 1.668 56.513 54.840 0.007 0.000 0.764 202 L CB -0.930 41.121 42.059 -0.014 0.000 0.900 202 L HN 0.977 nan 8.230 nan 0.000 0.436 203 A N -0.099 122.742 122.820 0.035 0.000 1.948 203 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 203 A C 1.729 179.351 177.584 0.062 0.000 1.177 203 A CA 2.065 54.126 52.037 0.041 0.000 0.636 203 A CB -0.465 18.558 19.000 0.037 0.000 0.815 203 A HN 0.427 nan 8.150 nan 0.000 0.449 204 D N -0.120 120.341 120.400 0.102 0.000 2.336 204 D HA 0.253 4.893 4.640 -0.000 0.000 0.229 204 D C 1.811 178.165 176.300 0.091 0.000 1.061 204 D CA 0.757 54.845 54.000 0.147 0.000 0.875 204 D CB -0.027 40.974 40.800 0.334 0.000 0.904 204 D HN 0.480 nan 8.370 nan 0.000 0.525 205 A N 1.075 123.925 122.820 0.051 0.000 1.940 205 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 205 A C 2.359 179.952 177.584 0.016 0.000 1.176 205 A CA 1.905 53.954 52.037 0.020 0.000 0.631 205 A CB -0.892 18.116 19.000 0.013 0.000 0.814 205 A HN 0.328 nan 8.150 nan 0.000 0.446 206 G N -0.583 108.233 108.800 0.028 0.000 2.421 206 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 206 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 206 G C 1.719 176.635 174.900 0.028 0.000 1.171 206 G CA 1.123 46.237 45.100 0.023 0.000 0.775 206 G HN 0.590 nan 8.290 nan 0.000 0.543 207 R N 0.000 120.530 120.500 0.049 0.000 2.073 207 R HA 0.119 4.459 4.340 -0.000 0.000 0.234 207 R C 2.530 178.846 176.300 0.027 0.000 1.134 207 R CA 0.984 57.121 56.100 0.062 0.000 0.952 207 R CB -0.462 29.910 30.300 0.121 0.000 0.850 207 R HN 0.366 nan 8.270 nan 0.000 0.433 208 L N 0.263 121.478 121.223 -0.014 0.000 2.131 208 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 208 L C 2.782 179.628 176.870 -0.040 0.000 1.092 208 L CA 1.469 56.260 54.840 -0.081 0.000 0.759 208 L CB -0.413 41.556 42.059 -0.149 0.000 0.903 208 L HN 0.291 nan 8.230 nan 0.000 0.435 209 R N 0.177 120.664 120.500 -0.021 0.000 2.120 209 R HA -0.197 4.143 4.340 -0.000 0.000 0.234 209 R C 2.200 178.484 176.300 -0.027 0.000 1.123 209 R CA 1.247 57.334 56.100 -0.022 0.000 0.975 209 R CB -0.057 30.233 30.300 -0.016 0.000 0.866 209 R HN 0.393 nan 8.270 nan 0.000 0.446 210 Q N 0.337 120.131 119.800 -0.009 0.000 2.181 210 Q HA -0.136 4.204 4.340 -0.000 0.000 0.205 210 Q C 2.046 178.045 176.000 -0.001 0.000 0.980 210 Q CA 1.590 57.390 55.803 -0.006 0.000 0.862 210 Q CB -0.083 28.678 28.738 0.039 0.000 0.905 210 Q HN 0.414 nan 8.270 nan 0.000 0.429 211 L N 0.678 121.932 121.223 0.051 0.000 2.263 211 L HA -0.242 4.098 4.340 -0.000 0.000 0.216 211 L C 1.515 178.391 176.870 0.010 0.000 1.111 211 L CA 0.717 55.631 54.840 0.125 0.000 0.773 211 L CB -0.542 41.552 42.059 0.058 0.000 0.906 211 L HN 0.217 nan 8.230 nan 0.000 0.439 212 D N 0.548 120.904 120.400 -0.074 0.000 2.182 212 D HA -0.220 4.420 4.640 -0.000 0.000 0.201 212 D C 2.012 178.209 176.300 -0.171 0.000 0.986 212 D CA 1.555 55.499 54.000 -0.093 0.000 0.847 212 D CB -0.025 40.727 40.800 -0.080 0.000 0.942 212 D HN 0.631 nan 8.370 nan 0.000 0.467 213 E N -0.465 119.513 120.200 -0.370 0.000 2.427 213 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 213 E C 0.716 177.062 176.600 -0.423 0.000 1.028 213 E CA 0.461 56.601 56.400 -0.432 0.000 0.864 213 E CB -0.326 29.056 29.700 -0.530 0.000 0.813 213 E HN 0.306 nan 8.360 nan 0.000 0.514 214 Y N 1.740 122.018 120.300 -0.037 0.000 2.470 214 Y HA 0.127 4.677 4.550 -0.000 0.000 0.302 214 Y C -0.135 175.737 175.900 -0.046 0.000 1.194 214 Y CA -0.610 57.465 58.100 -0.041 0.000 1.271 214 Y CB -0.349 38.079 38.460 -0.053 0.000 1.092 214 Y HN -0.060 nan 8.280 nan 0.000 0.513 215 D N 0.883 121.304 120.400 0.036 0.000 2.720 215 D HA -0.220 4.420 4.640 -0.000 0.000 0.229 215 D C -0.211 176.086 176.300 -0.005 0.000 1.198 215 D CA 0.676 54.681 54.000 0.008 0.000 0.639 215 D CB -0.955 39.849 40.800 0.007 0.000 1.003 215 D HN 0.368 nan 8.370 nan 0.000 0.411 216 L N -0.312 120.903 121.223 -0.013 0.000 2.467 216 L HA 0.067 4.407 4.340 -0.000 0.000 0.270 216 L C 2.178 178.986 176.870 -0.103 0.000 1.205 216 L CA -0.194 54.596 54.840 -0.084 0.000 0.828 216 L CB 0.321 42.326 42.059 -0.091 0.000 1.101 216 L HN -0.081 nan 8.230 nan 0.000 0.479 217 T N -0.232 114.195 114.554 -0.211 0.000 2.942 217 T HA 0.027 4.377 4.350 -0.000 0.000 0.265 217 T C -0.511 174.181 174.700 -0.015 0.000 1.062 217 T CA 1.087 63.098 62.100 -0.147 0.000 1.139 217 T CB -0.115 68.610 68.868 -0.238 0.000 0.883 217 T HN 0.615 nan 8.240 nan 0.000 0.468 218 Y N -1.895 118.396 120.300 -0.016 0.000 2.774 218 Y HA 0.597 5.147 4.550 -0.000 0.000 0.346 218 Y C -2.052 173.851 175.900 0.005 0.000 1.222 218 Y CA -2.232 55.873 58.100 0.008 0.000 1.088 218 Y CB 0.455 38.946 38.460 0.050 0.000 1.354 218 Y HN -0.154 nan 8.280 nan 0.000 0.455 219 I N 1.987 122.718 120.570 0.270 0.000 2.389 219 I HA 0.315 4.485 4.170 -0.000 0.000 0.288 219 I C -0.580 175.685 176.117 0.248 0.000 0.999 219 I CA -0.618 60.788 61.300 0.177 0.000 1.129 219 I CB 1.831 39.865 38.000 0.056 0.000 1.288 219 I HN 0.685 nan 8.210 nan 0.000 0.444 220 E N 6.049 126.421 120.200 0.287 0.000 2.194 220 E HA 0.127 4.477 4.350 -0.000 0.000 0.284 220 E C -0.231 176.461 176.600 0.152 0.000 1.035 220 E CA -0.533 56.011 56.400 0.241 0.000 0.836 220 E CB 0.657 30.567 29.700 0.349 0.000 1.070 220 E HN 0.463 nan 8.360 nan 0.000 0.401 221 Q N 3.750 123.585 119.800 0.058 0.000 2.437 221 Q HA -0.166 4.174 4.340 -0.000 0.000 0.354 221 Q C -1.990 174.151 176.000 0.235 0.000 1.402 221 Q CA 0.646 56.493 55.803 0.074 0.000 1.020 221 Q CB -0.334 28.461 28.738 0.095 0.000 1.220 221 Q HN 0.542 nan 8.270 nan 0.000 0.368 222 P HA -0.126 nan 4.420 nan 0.000 0.219 222 P C 0.288 177.776 177.300 0.313 0.000 1.150 222 P CA 1.224 64.475 63.100 0.253 0.000 0.814 222 P CB 0.236 31.994 31.700 0.097 0.000 0.787 223 L N -1.557 119.854 121.223 0.314 0.000 2.585 223 L HA 0.621 4.961 4.340 -0.000 0.000 0.260 223 L C 0.801 177.743 176.870 0.120 0.000 1.085 223 L CA -1.723 53.146 54.840 0.048 0.000 0.913 223 L CB -0.497 41.345 42.059 -0.362 0.000 1.638 223 L HN -0.256 nan 8.230 nan 0.000 0.531 224 A N 0.510 123.329 122.820 -0.000 0.000 2.587 224 A HA -0.090 4.230 4.320 -0.000 0.000 0.233 224 A C 0.876 178.479 177.584 0.031 0.000 1.049 224 A CA 0.145 52.182 52.037 0.001 0.000 0.754 224 A CB -0.231 18.684 19.000 -0.142 0.000 0.977 224 A HN 0.898 nan 8.150 nan 0.000 0.509 225 W N 2.075 123.395 121.300 0.033 0.000 2.465 225 W HA -0.073 4.587 4.660 -0.000 0.000 0.268 225 W C -0.151 176.360 176.519 -0.013 0.000 1.242 225 W CA 1.125 58.468 57.345 -0.003 0.000 1.248 225 W CB -0.459 28.953 29.460 -0.079 0.000 1.118 225 W HN 0.755 nan 8.180 nan 0.000 0.587 226 D N -0.209 119.660 120.400 -0.885 0.000 2.462 226 D HA 0.021 4.661 4.640 -0.000 0.000 0.221 226 D C -0.206 175.854 176.300 -0.400 0.000 1.173 226 D CA -0.196 53.296 54.000 -0.847 0.000 0.831 226 D CB -0.621 39.258 40.800 -1.535 0.000 1.001 226 D HN 0.072 nan 8.370 nan 0.000 0.499 227 D N 0.580 120.857 120.400 -0.206 0.000 2.181 227 D HA 0.230 4.870 4.640 -0.000 0.000 0.248 227 D C 0.517 176.864 176.300 0.080 0.000 1.020 227 D CA -0.543 53.402 54.000 -0.092 0.000 0.891 227 D CB 2.102 42.821 40.800 -0.135 0.000 1.187 227 D HN 0.013 nan 8.370 nan 0.000 0.443 228 L N 2.374 123.612 121.223 0.024 0.000 2.600 228 L HA 0.050 4.390 4.340 -0.000 0.000 0.213 228 L C 2.306 179.198 176.870 0.036 0.000 1.045 228 L CA -0.094 54.781 54.840 0.058 0.000 0.863 228 L CB -0.032 42.020 42.059 -0.011 0.000 1.189 228 L HN 0.278 nan 8.230 nan 0.000 0.484 229 V N 0.463 120.365 119.914 -0.019 0.000 2.343 229 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 229 V C 1.932 178.002 176.094 -0.040 0.000 1.051 229 V CA 2.037 64.319 62.300 -0.029 0.000 1.036 229 V CB -0.436 31.361 31.823 -0.042 0.000 0.654 229 V HN 0.390 nan 8.190 nan 0.000 0.451 230 D N -1.422 118.923 120.400 -0.091 0.000 2.183 230 D HA -0.117 4.523 4.640 -0.000 0.000 0.203 230 D C 2.135 178.350 176.300 -0.143 0.000 0.969 230 D CA 0.961 54.881 54.000 -0.133 0.000 0.842 230 D CB -0.321 40.358 40.800 -0.201 0.000 0.957 230 D HN 0.480 nan 8.370 nan 0.000 0.484 231 H N 0.730 119.781 119.070 -0.030 0.000 2.321 231 H HA -0.016 4.540 4.556 -0.000 0.000 0.300 231 H C 2.100 177.412 175.328 -0.026 0.000 1.087 231 H CA 1.389 57.421 56.048 -0.026 0.000 1.319 231 H CB -0.331 29.411 29.762 -0.033 0.000 1.379 231 H HN 0.099 nan 8.280 nan 0.000 0.501 232 A N 1.064 123.935 122.820 0.085 0.000 1.948 232 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 232 A C 2.426 180.020 177.584 0.017 0.000 1.177 232 A CA 2.183 54.240 52.037 0.033 0.000 0.636 232 A CB -0.354 18.652 19.000 0.010 0.000 0.815 232 A HN 0.514 nan 8.150 nan 0.000 0.449 233 E N -0.278 119.924 120.200 0.004 0.000 2.028 233 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 233 E C 1.799 178.400 176.600 0.001 0.000 0.984 233 E CA 1.238 57.635 56.400 -0.005 0.000 0.800 233 E CB -0.544 29.145 29.700 -0.019 0.000 0.758 233 E HN 0.367 nan 8.360 nan 0.000 0.448 234 L N 0.592 121.815 121.223 0.001 0.000 2.081 234 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 234 L C 2.261 179.145 176.870 0.023 0.000 1.080 234 L CA 2.271 57.118 54.840 0.011 0.000 0.754 234 L CB -0.814 41.255 42.059 0.017 0.000 0.893 234 L HN 0.274 nan 8.230 nan 0.000 0.433 235 A N -0.696 122.145 122.820 0.035 0.000 2.015 235 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 235 A C 2.404 179.997 177.584 0.016 0.000 1.163 235 A CA 1.496 53.550 52.037 0.029 0.000 0.646 235 A CB -0.516 18.502 19.000 0.030 0.000 0.806 235 A HN 0.511 nan 8.150 nan 0.000 0.448 236 R N -0.848 119.659 120.500 0.012 0.000 2.189 236 R HA 0.030 4.370 4.340 -0.000 0.000 0.218 236 R C 1.950 178.253 176.300 0.004 0.000 1.074 236 R CA 0.848 56.952 56.100 0.007 0.000 0.991 236 R CB -0.054 30.248 30.300 0.004 0.000 0.883 236 R HN 0.419 nan 8.270 nan 0.000 0.457 237 R N 0.305 120.807 120.500 0.004 0.000 2.223 237 R HA 0.171 4.511 4.340 -0.000 0.000 0.198 237 R C 1.099 177.398 176.300 -0.002 0.000 0.984 237 R CA 0.436 56.537 56.100 0.001 0.000 1.018 237 R CB 0.266 30.567 30.300 0.001 0.000 0.945 237 R HN 0.245 nan 8.270 nan 0.000 0.479 238 I N -2.732 117.838 120.570 -0.000 0.000 2.846 238 I HA 0.398 4.568 4.170 -0.000 0.000 0.307 238 I C 0.630 176.746 176.117 -0.002 0.000 1.053 238 I CA -0.997 60.300 61.300 -0.005 0.000 1.050 238 I CB 2.292 40.287 38.000 -0.008 0.000 1.239 238 I HN -0.290 nan 8.210 nan 0.000 0.439 239 R N 1.149 121.644 120.500 -0.008 0.000 2.223 239 R HA 0.146 4.486 4.340 -0.000 0.000 0.198 239 R C 0.211 176.513 176.300 0.004 0.000 0.984 239 R CA 0.356 56.453 56.100 -0.005 0.000 1.018 239 R CB -0.186 30.105 30.300 -0.014 0.000 0.945 239 R HN 0.687 nan 8.270 nan 0.000 0.479 240 T N 4.481 119.037 114.554 0.003 0.000 2.817 240 T HA 0.134 4.484 4.350 -0.000 0.000 0.295 240 T C -2.365 172.359 174.700 0.041 0.000 0.958 240 T CA -0.920 61.190 62.100 0.017 0.000 1.157 240 T CB 1.063 69.937 68.868 0.009 0.000 0.898 240 T HN -0.023 nan 8.240 nan 0.000 0.536 241 P HA 0.076 nan 4.420 nan 0.000 0.264 241 P C -0.449 176.917 177.300 0.110 0.000 1.179 241 P CA 0.033 63.183 63.100 0.083 0.000 0.763 241 P CB 0.410 32.178 31.700 0.113 0.000 0.806 242 L N 2.467 123.729 121.223 0.066 0.000 2.325 242 L HA 0.466 4.806 4.340 -0.000 0.000 0.279 242 L C 0.288 177.153 176.870 -0.009 0.000 1.054 242 L CA -0.682 54.186 54.840 0.047 0.000 0.804 242 L CB 1.499 43.561 42.059 0.005 0.000 1.200 242 L HN 0.423 nan 8.230 nan 0.000 0.436 243 C N 4.905 124.188 119.300 -0.029 0.000 2.322 243 C HA 0.582 5.042 4.460 -0.000 0.000 0.324 243 C C 0.018 174.905 174.990 -0.171 0.000 1.284 243 C CA -0.697 58.224 59.018 -0.161 0.000 1.606 243 C CB -0.133 27.390 27.740 -0.361 0.000 2.251 243 C HN 0.687 nan 8.230 nan 0.000 0.502 244 L N 5.413 126.503 121.223 -0.222 0.000 2.357 244 L HA 0.445 4.785 4.340 -0.000 0.000 0.273 244 L C 0.533 177.290 176.870 -0.188 0.000 1.080 244 L CA 0.089 54.790 54.840 -0.231 0.000 0.803 244 L CB 1.228 43.148 42.059 -0.231 0.000 1.174 244 L HN 0.784 nan 8.230 nan 0.000 0.443 245 D N 0.210 120.540 120.400 -0.116 0.000 2.973 245 D HA -0.019 4.621 4.640 -0.000 0.000 0.187 245 D C 1.378 177.675 176.300 -0.006 0.000 1.467 245 D CA 0.227 54.189 54.000 -0.063 0.000 1.515 245 D CB 0.221 41.037 40.800 0.027 0.000 1.182 245 D HN 0.483 nan 8.370 nan 0.000 0.213 246 E N 0.295 120.514 120.200 0.032 0.000 2.204 246 E HA -0.064 4.286 4.350 -0.000 0.000 0.195 246 E C 1.891 178.550 176.600 0.099 0.000 0.990 246 E CA 1.411 57.842 56.400 0.052 0.000 0.821 246 E CB -0.076 29.665 29.700 0.067 0.000 0.750 246 E HN 0.316 nan 8.360 nan 0.000 0.477 247 S N -0.520 115.204 115.700 0.039 0.000 2.555 247 S HA 0.015 4.485 4.470 -0.000 0.000 0.230 247 S C 0.742 175.326 174.600 -0.026 0.000 0.978 247 S CA -0.063 58.133 58.200 -0.008 0.000 0.934 247 S CB 0.204 63.383 63.200 -0.035 0.000 0.766 247 S HN -0.051 nan 8.310 nan 0.000 0.533 248 V N 1.768 121.664 119.914 -0.029 0.000 2.293 248 V HA 0.710 4.830 4.120 -0.000 0.000 0.275 248 V C 0.535 176.623 176.094 -0.010 0.000 1.021 248 V CA -0.086 62.190 62.300 -0.040 0.000 0.815 248 V CB 0.576 32.349 31.823 -0.083 0.000 1.025 248 V HN 0.415 nan 8.190 nan 0.000 0.448 249 A N 3.788 126.614 122.820 0.009 0.000 2.470 249 A HA 0.686 5.006 4.320 -0.000 0.000 0.251 249 A C 0.651 178.249 177.584 0.022 0.000 1.245 249 A CA 0.504 52.559 52.037 0.029 0.000 0.932 249 A CB 0.225 19.258 19.000 0.055 0.000 1.037 249 A HN 0.949 nan 8.150 nan 0.000 0.522 250 S N -3.336 112.369 115.700 0.008 0.000 2.636 250 S HA 0.603 5.073 4.470 -0.000 0.000 0.266 250 S C 0.752 175.356 174.600 0.007 0.000 1.147 250 S CA 0.050 58.259 58.200 0.014 0.000 0.815 250 S CB 0.817 64.028 63.200 0.019 0.000 1.119 250 S HN 1.025 nan 8.310 nan 0.000 0.470 251 A N 1.493 124.324 122.820 0.019 0.000 1.930 251 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 251 A C 2.314 179.909 177.584 0.018 0.000 1.175 251 A CA 2.163 54.213 52.037 0.021 0.000 0.627 251 A CB -1.474 17.549 19.000 0.037 0.000 0.815 251 A HN 1.665 nan 8.150 nan 0.000 0.443 252 S N 0.181 115.892 115.700 0.018 0.000 2.402 252 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 252 S C 1.337 175.935 174.600 -0.004 0.000 1.021 252 S CA 1.386 59.595 58.200 0.015 0.000 0.974 252 S CB -0.450 62.760 63.200 0.017 0.000 0.800 252 S HN 0.486 nan 8.310 nan 0.000 0.484 253 D N 2.576 122.968 120.400 -0.014 0.000 2.117 253 D HA 0.063 4.703 4.640 -0.000 0.000 0.197 253 D C 2.347 178.608 176.300 -0.064 0.000 0.987 253 D CA 1.496 55.476 54.000 -0.034 0.000 0.829 253 D CB -0.824 39.959 40.800 -0.030 0.000 0.961 253 D HN 0.548 nan 8.370 nan 0.000 0.460 254 A N 1.320 124.100 122.820 -0.066 0.000 1.908 254 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 254 A C 2.183 179.674 177.584 -0.155 0.000 1.181 254 A CA 1.642 53.612 52.037 -0.110 0.000 0.627 254 A CB -0.478 18.474 19.000 -0.080 0.000 0.818 254 A HN 0.063 nan 8.150 nan 0.000 0.445 255 R N 0.332 120.794 120.500 -0.063 0.000 2.083 255 R HA -0.151 4.189 4.340 -0.000 0.000 0.237 255 R C 1.929 178.177 176.300 -0.088 0.000 1.137 255 R CA 2.186 58.281 56.100 -0.008 0.000 0.951 255 R CB -0.460 29.902 30.300 0.104 0.000 0.851 255 R HN 0.594 nan 8.270 nan 0.000 0.434 256 K N -0.066 120.297 120.400 -0.062 0.000 2.057 256 K HA -0.040 4.280 4.320 -0.000 0.000 0.206 256 K C 2.197 178.734 176.600 -0.105 0.000 1.050 256 K CA 1.366 57.619 56.287 -0.056 0.000 0.935 256 K CB -0.188 32.291 32.500 -0.036 0.000 0.715 256 K HN 0.235 nan 8.250 nan 0.000 0.439 257 A N 1.389 124.125 122.820 -0.141 0.000 1.877 257 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 257 A C 2.117 179.561 177.584 -0.234 0.000 1.186 257 A CA 1.383 53.325 52.037 -0.158 0.000 0.620 257 A CB -0.636 18.268 19.000 -0.161 0.000 0.822 257 A HN 0.155 nan 8.150 nan 0.000 0.443 258 L N -1.070 119.903 121.223 -0.416 0.000 2.131 258 L HA -0.065 4.275 4.340 -0.000 0.000 0.206 258 L C 3.007 179.560 176.870 -0.527 0.000 1.087 258 L CA 0.831 55.269 54.840 -0.670 0.000 0.767 258 L CB -0.478 40.773 42.059 -1.346 0.000 0.917 258 L HN 0.403 nan 8.230 nan 0.000 0.441 259 A N 0.038 122.653 122.820 -0.342 0.000 1.969 259 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 259 A C 2.226 179.806 177.584 -0.007 0.000 1.169 259 A CA 1.254 53.300 52.037 0.015 0.000 0.635 259 A CB -0.540 18.533 19.000 0.121 0.000 0.810 259 A HN 0.364 nan 8.150 nan 0.000 0.445 260 L N -1.511 119.678 121.223 -0.056 0.000 2.313 260 L HA 0.113 4.453 4.340 -0.000 0.000 0.214 260 L C 1.714 178.566 176.870 -0.029 0.000 1.119 260 L CA 0.732 55.552 54.840 -0.032 0.000 0.809 260 L CB -0.182 41.856 42.059 -0.036 0.000 0.933 260 L HN 0.592 nan 8.230 nan 0.000 0.449 261 G N -0.744 108.023 108.800 -0.056 0.000 2.149 261 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.235 261 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.235 261 G C 0.854 175.734 174.900 -0.033 0.000 1.018 261 G CA 0.316 45.392 45.100 -0.041 0.000 0.728 261 G HN 0.413 nan 8.290 nan 0.000 0.508 262 A N -0.883 121.907 122.820 -0.050 0.000 2.119 262 A HA 0.610 4.930 4.320 -0.000 0.000 0.217 262 A C 1.602 179.154 177.584 -0.053 0.000 1.153 262 A CA 1.800 53.828 52.037 -0.014 0.000 0.692 262 A CB 0.137 19.129 19.000 -0.013 0.000 0.799 262 A HN 2.186 nan 8.150 nan 0.000 0.458 263 G N -3.848 104.896 108.800 -0.093 0.000 2.601 263 G HA2 0.448 4.408 3.960 -0.000 0.000 0.291 263 G HA3 0.448 4.408 3.960 -0.000 0.000 0.291 263 G C 0.172 175.018 174.900 -0.091 0.000 1.456 263 G CA 0.200 45.243 45.100 -0.096 0.000 0.804 263 G HN 0.612 nan 8.290 nan 0.000 0.499 264 G N -1.315 107.451 108.800 -0.056 0.000 3.192 264 G HA2 0.478 4.438 3.960 -0.000 0.000 0.239 264 G HA3 0.478 4.438 3.960 -0.000 0.000 0.239 264 G C -0.298 174.579 174.900 -0.039 0.000 1.084 264 G CA 0.289 45.367 45.100 -0.035 0.000 0.784 264 G HN 0.981 nan 8.290 nan 0.000 0.540 265 V N 0.638 120.503 119.914 -0.083 0.000 2.969 265 V HA 0.489 4.609 4.120 -0.000 0.000 0.304 265 V C -1.197 174.780 176.094 -0.195 0.000 1.192 265 V CA -0.769 61.467 62.300 -0.107 0.000 0.962 265 V CB 2.411 34.165 31.823 -0.115 0.000 1.045 265 V HN 0.087 nan 8.190 nan 0.000 0.428 266 I N 2.908 123.333 120.570 -0.242 0.000 2.436 266 I HA 0.390 4.560 4.170 -0.000 0.000 0.289 266 I C 0.078 175.836 176.117 -0.597 0.000 1.010 266 I CA -0.290 60.809 61.300 -0.335 0.000 1.098 266 I CB 1.772 39.613 38.000 -0.265 0.000 1.266 266 I HN 0.746 nan 8.210 nan 0.000 0.434 267 N N 6.714 124.973 118.700 -0.735 0.000 2.402 267 N HA 0.184 4.924 4.740 -0.000 0.000 0.252 267 N C -1.074 174.065 175.510 -0.619 0.000 1.118 267 N CA -0.622 51.723 53.050 -1.175 0.000 0.945 267 N CB 0.653 38.485 38.487 -1.092 0.000 1.147 267 N HN 0.334 nan 8.380 nan 0.000 0.495 268 L N 4.130 125.042 121.223 -0.518 0.000 2.259 268 L HA 0.373 4.713 4.340 -0.000 0.000 0.288 268 L C -0.745 176.063 176.870 -0.104 0.000 1.051 268 L CA -0.308 54.397 54.840 -0.226 0.000 0.824 268 L CB 0.440 42.400 42.059 -0.165 0.000 1.206 268 L HN 0.416 nan 8.230 nan 0.000 0.429 269 K N 4.199 124.551 120.400 -0.080 0.000 2.316 269 K HA 0.213 4.533 4.320 -0.000 0.000 0.267 269 K C 0.907 177.495 176.600 -0.020 0.000 1.025 269 K CA -0.312 55.950 56.287 -0.042 0.000 0.896 269 K CB 1.994 34.467 32.500 -0.045 0.000 1.124 269 K HN 0.556 nan 8.250 nan 0.000 0.451 270 V N 3.373 123.278 119.914 -0.015 0.000 2.317 270 V HA -0.324 3.796 4.120 -0.000 0.000 0.251 270 V C 1.746 177.791 176.094 -0.082 0.000 1.065 270 V CA 2.818 65.089 62.300 -0.048 0.000 1.049 270 V CB -0.168 31.590 31.823 -0.109 0.000 0.651 270 V HN 0.914 nan 8.190 nan 0.000 0.450 271 A N -0.453 122.317 122.820 -0.083 0.000 2.016 271 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 271 A C 2.381 179.952 177.584 -0.020 0.000 1.162 271 A CA 1.299 53.289 52.037 -0.077 0.000 0.662 271 A CB -0.606 18.341 19.000 -0.087 0.000 0.812 271 A HN 0.582 nan 8.150 nan 0.000 0.450 272 R N 0.327 120.831 120.500 0.006 0.000 2.120 272 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 272 R C 1.604 177.929 176.300 0.041 0.000 1.123 272 R CA 1.880 58.014 56.100 0.056 0.000 0.975 272 R CB -0.245 30.114 30.300 0.099 0.000 0.866 272 R HN 0.510 nan 8.270 nan 0.000 0.446 273 V N -2.944 116.981 119.914 0.018 0.000 3.633 273 V HA 0.388 4.508 4.120 -0.000 0.000 0.283 273 V C 0.839 176.944 176.094 0.018 0.000 1.305 273 V CA 0.630 62.942 62.300 0.020 0.000 1.153 273 V CB 0.202 32.034 31.823 0.015 0.000 0.950 273 V HN 0.436 nan 8.190 nan 0.000 0.432 274 G N -1.416 107.388 108.800 0.006 0.000 2.157 274 G HA2 0.262 4.222 3.960 -0.000 0.000 0.239 274 G HA3 0.262 4.222 3.960 -0.000 0.000 0.239 274 G C 0.998 175.891 174.900 -0.012 0.000 0.982 274 G CA 0.016 45.116 45.100 0.001 0.000 0.650 274 G HN 2.283 nan 8.290 nan 0.000 0.527 275 G N -2.082 106.696 108.800 -0.036 0.000 2.315 275 G HA2 0.305 4.265 3.960 -0.000 0.000 0.296 275 G HA3 0.305 4.265 3.960 -0.000 0.000 0.296 275 G C 0.177 175.041 174.900 -0.059 0.000 1.289 275 G CA 0.481 45.534 45.100 -0.078 0.000 0.996 275 G HN 0.495 nan 8.290 nan 0.000 0.487 276 H N -0.073 119.002 119.070 0.008 0.000 2.326 276 H HA 0.075 4.632 4.556 0.000 0.000 0.301 276 H C 3.127 178.381 175.328 -0.124 0.000 1.081 276 H CA 2.574 58.511 56.048 -0.185 0.000 1.334 276 H CB -0.653 28.725 29.762 -0.640 0.000 1.385 276 H HN 0.726 nan 8.280 nan 0.000 0.504 277 A N 0.994 123.930 122.820 0.193 0.000 1.883 277 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 277 A C 2.396 180.065 177.584 0.141 0.000 1.186 277 A CA 2.106 54.276 52.037 0.223 0.000 0.624 277 A CB -0.415 18.812 19.000 0.379 0.000 0.822 277 A HN 0.398 nan 8.150 nan 0.000 0.444 278 E N 0.071 120.345 120.200 0.122 0.000 2.150 278 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 278 E C 2.120 178.767 176.600 0.078 0.000 0.985 278 E CA 1.377 57.828 56.400 0.086 0.000 0.814 278 E CB -0.202 29.536 29.700 0.063 0.000 0.752 278 E HN 0.517 nan 8.360 nan 0.000 0.466 279 S N 0.066 115.813 115.700 0.079 0.000 2.368 279 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 279 S C 1.854 176.535 174.600 0.136 0.000 1.029 279 S CA 1.037 59.294 58.200 0.095 0.000 0.988 279 S CB -0.285 62.979 63.200 0.107 0.000 0.838 279 S HN 0.269 nan 8.310 nan 0.000 0.462 280 R N 1.216 121.788 120.500 0.119 0.000 2.096 280 R HA -0.120 4.220 4.340 -0.000 0.000 0.240 280 R C 2.429 178.846 176.300 0.196 0.000 1.139 280 R CA 1.538 57.732 56.100 0.155 0.000 0.952 280 R CB -0.136 30.220 30.300 0.092 0.000 0.854 280 R HN 0.334 nan 8.270 nan 0.000 0.436 281 R N -0.459 120.118 120.500 0.129 0.000 2.081 281 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 281 R C 2.334 178.680 176.300 0.077 0.000 1.131 281 R CA 1.482 57.640 56.100 0.097 0.000 0.960 281 R CB -0.418 29.928 30.300 0.078 0.000 0.856 281 R HN 0.090 nan 8.270 nan 0.000 0.436 282 V N 0.742 120.700 119.914 0.072 0.000 2.287 282 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 282 V C 2.324 178.431 176.094 0.021 0.000 1.053 282 V CA 2.365 64.684 62.300 0.031 0.000 1.027 282 V CB -0.695 31.134 31.823 0.009 0.000 0.646 282 V HN 0.445 nan 8.190 nan 0.000 0.447 283 H N 0.464 119.511 119.070 -0.037 0.000 2.352 283 H HA -0.169 4.387 4.556 -0.000 0.000 0.299 283 H C 1.916 177.227 175.328 -0.028 0.000 1.097 283 H CA 2.246 58.248 56.048 -0.076 0.000 1.311 283 H CB -0.194 29.559 29.762 -0.015 0.000 1.377 283 H HN 0.416 nan 8.280 nan 0.000 0.504 284 D N -0.264 120.033 120.400 -0.172 0.000 2.194 284 D HA -0.075 4.565 4.640 -0.000 0.000 0.204 284 D C 2.426 178.672 176.300 -0.090 0.000 0.964 284 D CA 0.965 54.846 54.000 -0.199 0.000 0.846 284 D CB -0.129 40.655 40.800 -0.026 0.000 0.962 284 D HN 0.323 nan 8.370 nan 0.000 0.490 285 V N 1.652 121.559 119.914 -0.012 0.000 2.343 285 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 285 V C 2.569 178.749 176.094 0.142 0.000 1.051 285 V CA 1.773 64.120 62.300 0.079 0.000 1.036 285 V CB -0.772 31.108 31.823 0.096 0.000 0.654 285 V HN 0.162 nan 8.190 nan 0.000 0.451 286 A N -0.563 122.266 122.820 0.016 0.000 1.865 286 A HA -0.350 3.970 4.320 -0.000 0.000 0.217 286 A C 2.243 179.839 177.584 0.021 0.000 1.191 286 A CA 2.362 54.398 52.037 -0.001 0.000 0.623 286 A CB -0.681 18.256 19.000 -0.105 0.000 0.826 286 A HN 0.579 nan 8.150 nan 0.000 0.444 287 Q N 0.261 120.001 119.800 -0.100 0.000 2.096 287 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 287 Q C 2.147 178.128 176.000 -0.032 0.000 0.982 287 Q CA 2.448 58.193 55.803 -0.096 0.000 0.850 287 Q CB -0.269 28.348 28.738 -0.201 0.000 0.901 287 Q HN 0.801 nan 8.270 nan 0.000 0.422 288 S N -1.193 114.490 115.700 -0.029 0.000 2.469 288 S HA -0.109 4.361 4.470 -0.000 0.000 0.238 288 S C 1.209 175.728 174.600 -0.136 0.000 0.998 288 S CA 0.736 58.887 58.200 -0.082 0.000 0.957 288 S CB -0.274 62.857 63.200 -0.114 0.000 0.764 288 S HN 0.451 nan 8.310 nan 0.000 0.514 289 F N 1.457 121.375 119.950 -0.054 0.000 2.695 289 F HA 0.412 4.939 4.527 0.000 0.000 0.303 289 F C 1.807 177.585 175.800 -0.036 0.000 1.091 289 F CA 0.123 58.099 58.000 -0.041 0.000 1.300 289 F CB 0.357 39.330 39.000 -0.044 0.000 1.071 289 F HN 0.369 nan 8.300 nan 0.000 0.578 290 G N 1.137 110.003 108.800 0.110 0.000 2.160 290 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.251 290 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.251 290 G C 0.083 175.018 174.900 0.060 0.000 1.008 290 G CA 0.090 45.228 45.100 0.063 0.000 0.724 290 G HN 0.629 nan 8.290 nan 0.000 0.514 291 A N 0.694 123.550 122.820 0.059 0.000 2.276 291 A HA 0.862 5.182 4.320 -0.000 0.000 0.316 291 A C -1.566 176.007 177.584 -0.018 0.000 1.229 291 A CA -1.420 50.625 52.037 0.014 0.000 0.851 291 A CB 1.686 20.672 19.000 -0.023 0.000 1.165 291 A HN 0.194 nan 8.150 nan 0.000 0.513 292 P HA 0.410 nan 4.420 nan 0.000 0.276 292 P C -0.209 177.053 177.300 -0.064 0.000 1.252 292 P CA -0.165 62.930 63.100 -0.009 0.000 0.802 292 P CB 1.280 33.016 31.700 0.060 0.000 1.035 293 V N -1.482 118.342 119.914 -0.150 0.000 3.019 293 V HA 0.846 4.966 4.120 -0.000 0.000 0.317 293 V C -0.818 175.184 176.094 -0.153 0.000 1.094 293 V CA -0.848 61.272 62.300 -0.301 0.000 1.000 293 V CB 2.138 33.617 31.823 -0.575 0.000 1.060 293 V HN 0.802 nan 8.190 nan 0.000 0.443 294 W N 0.464 121.645 121.300 -0.198 0.000 3.083 294 W HA 0.658 5.318 4.660 -0.000 0.000 0.333 294 W C -1.277 175.360 176.519 0.196 0.000 1.217 294 W CA -1.361 56.025 57.345 0.068 0.000 1.170 294 W CB 1.150 30.670 29.460 0.100 0.000 1.437 294 W HN 0.876 nan 8.180 nan 0.000 0.557 295 C N 3.110 122.799 119.300 0.648 0.000 2.373 295 C HA 0.668 5.128 4.460 -0.000 0.000 0.354 295 C C 1.105 176.269 174.990 0.289 0.000 1.249 295 C CA 0.507 59.784 59.018 0.432 0.000 1.784 295 C CB -0.935 26.997 27.740 0.319 0.000 2.408 295 C HN 0.792 nan 8.230 nan 0.000 0.542 296 G N 4.198 112.992 108.800 -0.009 0.000 2.537 296 G HA2 0.597 4.557 3.960 -0.000 0.000 0.273 296 G HA3 0.597 4.557 3.960 -0.000 0.000 0.273 296 G C 0.060 174.995 174.900 0.059 0.000 1.189 296 G CA 0.134 45.240 45.100 0.009 0.000 0.881 296 G HN 1.190 nan 8.290 nan 0.000 0.535 297 G N -1.240 107.600 108.800 0.066 0.000 2.569 297 G HA2 0.558 4.518 3.960 -0.000 0.000 0.300 297 G HA3 0.558 4.518 3.960 -0.000 0.000 0.300 297 G C -0.624 174.229 174.900 -0.078 0.000 1.269 297 G CA -0.813 44.288 45.100 0.002 0.000 0.959 297 G HN 0.648 nan 8.290 nan 0.000 0.478 298 M N 2.011 121.540 119.600 -0.118 0.000 4.816 298 M HA 0.257 4.737 4.480 -0.000 0.000 0.560 298 M C -0.033 176.193 176.300 -0.124 0.000 2.256 298 M CA -0.328 54.879 55.300 -0.156 0.000 0.410 298 M CB -0.077 32.387 32.600 -0.228 0.000 1.476 298 M HN 0.454 nan 8.290 nan 0.000 0.613 299 L N 0.297 121.404 121.223 -0.193 0.000 3.717 299 L HA -0.245 4.095 4.340 -0.000 0.000 0.414 299 L C -0.551 176.336 176.870 0.028 0.000 1.228 299 L CA 0.920 55.627 54.840 -0.222 0.000 0.918 299 L CB -2.423 39.616 42.059 -0.032 0.000 1.865 299 L HN 0.622 nan 8.230 nan 0.000 0.922 300 E N 0.513 120.692 120.200 -0.035 0.000 2.373 300 E HA 0.326 4.676 4.350 -0.000 0.000 0.267 300 E C 0.913 177.650 176.600 0.228 0.000 1.032 300 E CA 0.501 56.943 56.400 0.071 0.000 0.889 300 E CB 0.834 30.541 29.700 0.011 0.000 0.984 300 E HN 0.407 nan 8.360 nan 0.000 0.425 301 S N 1.309 117.052 115.700 0.072 0.000 2.612 301 S HA 0.075 4.545 4.470 -0.000 0.000 0.253 301 S C 1.440 176.072 174.600 0.053 0.000 1.346 301 S CA -0.190 57.965 58.200 -0.074 0.000 0.976 301 S CB 0.776 63.822 63.200 -0.256 0.000 0.949 301 S HN 0.629 nan 8.310 nan 0.000 0.584 302 G N 0.010 108.832 108.800 0.035 0.000 2.443 302 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.219 302 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.219 302 G C 1.256 176.207 174.900 0.084 0.000 1.131 302 G CA 0.573 45.721 45.100 0.080 0.000 0.775 302 G HN 0.582 nan 8.290 nan 0.000 0.547 303 I N 1.985 122.598 120.570 0.071 0.000 2.076 303 I HA -0.125 4.045 4.170 -0.000 0.000 0.237 303 I C 3.063 179.306 176.117 0.211 0.000 1.059 303 I CA 1.666 63.045 61.300 0.131 0.000 1.317 303 I CB -1.563 36.488 38.000 0.085 0.000 1.037 303 I HN 0.224 nan 8.210 nan 0.000 0.398 304 G N 0.050 108.914 108.800 0.107 0.000 2.442 304 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 304 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 304 G C 1.944 176.912 174.900 0.113 0.000 1.141 304 G CA 0.748 45.894 45.100 0.076 0.000 0.763 304 G HN 0.315 nan 8.290 nan 0.000 0.554 305 R N 0.303 120.861 120.500 0.098 0.000 2.096 305 R HA 0.044 4.384 4.340 -0.000 0.000 0.235 305 R C 2.905 179.260 176.300 0.090 0.000 1.127 305 R CA 1.280 57.431 56.100 0.085 0.000 0.968 305 R CB -0.271 30.082 30.300 0.089 0.000 0.861 305 R HN 0.318 nan 8.270 nan 0.000 0.440 306 A N 0.186 123.075 122.820 0.115 0.000 1.898 306 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 306 A C 1.853 179.529 177.584 0.154 0.000 1.181 306 A CA 1.293 53.387 52.037 0.095 0.000 0.620 306 A CB -0.785 18.271 19.000 0.094 0.000 0.819 306 A HN 0.417 nan 8.150 nan 0.000 0.442 307 H N -0.060 119.096 119.070 0.143 0.000 2.319 307 H HA -0.120 4.436 4.556 0.000 0.000 0.299 307 H C 1.971 177.399 175.328 0.168 0.000 1.092 307 H CA 1.782 57.955 56.048 0.208 0.000 1.302 307 H CB -0.088 29.790 29.762 0.193 0.000 1.373 307 H HN 0.437 nan 8.280 nan 0.000 0.497 308 N N 0.851 119.671 118.700 0.200 0.000 2.069 308 N HA -0.118 4.622 4.740 -0.000 0.000 0.191 308 N C 2.215 177.696 175.510 -0.048 0.000 1.031 308 N CA 0.811 53.901 53.050 0.067 0.000 0.852 308 N CB -0.540 37.973 38.487 0.044 0.000 1.018 308 N HN 0.332 nan 8.380 nan 0.000 0.423 309 I N 0.196 120.731 120.570 -0.058 0.000 2.163 309 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 309 I C 1.953 177.922 176.117 -0.246 0.000 1.085 309 I CA 1.347 62.550 61.300 -0.163 0.000 1.347 309 I CB -0.335 37.554 38.000 -0.184 0.000 1.044 309 I HN 0.236 nan 8.210 nan 0.000 0.408 310 H N -0.232 118.743 119.070 -0.158 0.000 2.321 310 H HA -0.200 4.356 4.556 -0.000 0.000 0.300 310 H C 1.983 177.129 175.328 -0.303 0.000 1.087 310 H CA 1.637 57.553 56.048 -0.221 0.000 1.319 310 H CB -0.044 29.568 29.762 -0.250 0.000 1.379 310 H HN 0.153 nan 8.280 nan 0.000 0.501 311 L N 0.218 121.338 121.223 -0.172 0.000 2.042 311 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 311 L C 1.981 178.448 176.870 -0.672 0.000 1.076 311 L CA 1.612 56.276 54.840 -0.294 0.000 0.749 311 L CB -0.587 41.427 42.059 -0.074 0.000 0.893 311 L HN 0.063 nan 8.230 nan 0.000 0.432 312 S N -1.134 114.085 115.700 -0.800 0.000 2.500 312 S HA -0.137 4.333 4.470 -0.000 0.000 0.239 312 S C 1.686 175.917 174.600 -0.615 0.000 0.989 312 S CA 1.172 58.672 58.200 -1.167 0.000 0.951 312 S CB -0.805 62.050 63.200 -0.575 0.000 0.759 312 S HN 0.801 nan 8.310 nan 0.000 0.523 313 T N -0.487 113.832 114.554 -0.392 0.000 3.118 313 T HA 0.168 4.518 4.350 -0.000 0.000 0.260 313 T C 0.494 175.081 174.700 -0.187 0.000 1.139 313 T CA -0.013 61.951 62.100 -0.227 0.000 1.085 313 T CB -0.328 68.440 68.868 -0.167 0.000 0.934 313 T HN -0.016 nan 8.240 nan 0.000 0.518 314 L N 2.810 123.917 121.223 -0.194 0.000 2.464 314 L HA 0.320 4.660 4.340 -0.000 0.000 0.264 314 L C 1.868 178.790 176.870 0.086 0.000 1.199 314 L CA 0.282 55.054 54.840 -0.114 0.000 0.818 314 L CB 0.982 42.821 42.059 -0.367 0.000 1.102 314 L HN 0.349 nan 8.230 nan 0.000 0.473 315 S N 0.236 116.024 115.700 0.145 0.000 2.461 315 S HA -0.080 4.390 4.470 -0.000 0.000 0.228 315 S C 1.282 176.041 174.600 0.264 0.000 1.005 315 S CA 0.816 59.111 58.200 0.158 0.000 0.942 315 S CB -0.351 62.909 63.200 0.100 0.000 0.776 315 S HN 0.697 nan 8.310 nan 0.000 0.514 316 N N 0.323 119.334 118.700 0.517 0.000 2.383 316 N HA 0.211 4.951 4.740 -0.000 0.000 0.192 316 N C -0.907 174.700 175.510 0.161 0.000 1.141 316 N CA -0.336 52.869 53.050 0.259 0.000 0.851 316 N CB -0.504 37.965 38.487 -0.030 0.000 0.976 316 N HN 0.375 nan 8.380 nan 0.000 0.465 317 F N 0.696 120.754 119.950 0.180 0.000 2.652 317 F HA 0.269 4.796 4.527 -0.000 0.000 0.352 317 F C 1.341 177.212 175.800 0.118 0.000 1.259 317 F CA -0.185 57.895 58.000 0.133 0.000 1.249 317 F CB 0.387 39.425 39.000 0.065 0.000 1.628 317 F HN -0.061 nan 8.300 nan 0.000 0.654 318 R N 1.276 121.901 120.500 0.208 0.000 2.362 318 R HA 0.315 4.655 4.340 -0.000 0.000 0.227 318 R C -0.207 176.186 176.300 0.154 0.000 0.905 318 R CA 0.129 56.323 56.100 0.156 0.000 1.067 318 R CB 0.499 30.865 30.300 0.110 0.000 1.078 318 R HN 0.383 nan 8.270 nan 0.000 0.516 319 L N 1.063 122.411 121.223 0.208 0.000 2.354 319 L HA 0.500 4.840 4.340 -0.000 0.000 0.269 319 L C -2.421 174.568 176.870 0.198 0.000 1.005 319 L CA -2.648 52.294 54.840 0.171 0.000 0.819 319 L CB 1.926 44.092 42.059 0.179 0.000 1.311 319 L HN -0.271 nan 8.230 nan 0.000 0.423 320 P HA 0.104 nan 4.420 nan 0.000 0.268 320 P C -0.274 177.105 177.300 0.132 0.000 1.205 320 P CA -0.116 63.039 63.100 0.092 0.000 0.771 320 P CB 0.658 32.369 31.700 0.018 0.000 0.858 321 G N 0.851 109.787 108.800 0.227 0.000 2.462 321 G HA2 0.193 4.153 3.960 -0.000 0.000 0.319 321 G HA3 0.193 4.153 3.960 -0.000 0.000 0.319 321 G C -0.150 174.891 174.900 0.234 0.000 1.171 321 G CA -0.430 44.884 45.100 0.357 0.000 0.920 321 G HN 0.314 nan 8.290 nan 0.000 0.499 322 D N 0.181 120.766 120.400 0.309 0.000 2.504 322 D HA 0.085 4.725 4.640 -0.000 0.000 0.243 322 D C 0.884 177.271 176.300 0.145 0.000 1.203 322 D CA 0.412 54.526 54.000 0.190 0.000 0.847 322 D CB 0.314 41.262 40.800 0.246 0.000 0.973 322 D HN 0.163 nan 8.370 nan 0.000 0.490 323 T N 0.406 115.045 114.554 0.142 0.000 3.285 323 T HA 0.099 4.449 4.350 -0.000 0.000 0.232 323 T C 0.785 175.574 174.700 0.147 0.000 0.973 323 T CA -0.347 61.823 62.100 0.117 0.000 1.023 323 T CB -0.241 68.677 68.868 0.084 0.000 1.158 323 T HN 0.154 nan 8.240 nan 0.000 0.590 324 S N 0.602 116.411 115.700 0.182 0.000 2.625 324 S HA 0.409 4.879 4.470 -0.000 0.000 0.262 324 S C 0.570 175.332 174.600 0.270 0.000 1.223 324 S CA -0.817 57.526 58.200 0.238 0.000 0.993 324 S CB 0.409 63.670 63.200 0.101 0.000 1.051 324 S HN 0.323 nan 8.310 nan 0.000 0.562 325 S N 0.498 116.355 115.700 0.262 0.000 2.562 325 S HA 0.422 4.892 4.470 -0.000 0.000 0.281 325 S C 1.478 176.223 174.600 0.241 0.000 1.333 325 S CA -0.236 58.084 58.200 0.201 0.000 1.052 325 S CB 0.794 64.085 63.200 0.151 0.000 0.884 325 S HN 0.909 nan 8.310 nan 0.000 0.506 326 A N 2.927 125.888 122.820 0.235 0.000 1.902 326 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 326 A C 2.277 180.005 177.584 0.240 0.000 1.181 326 A CA 1.674 53.903 52.037 0.320 0.000 0.623 326 A CB -1.065 18.113 19.000 0.297 0.000 0.818 326 A HN 0.921 nan 8.150 nan 0.000 0.443 327 S N -0.422 115.357 115.700 0.132 0.000 2.500 327 S HA -0.113 4.357 4.470 -0.000 0.000 0.239 327 S C 1.731 176.298 174.600 -0.054 0.000 0.989 327 S CA 0.965 59.199 58.200 0.057 0.000 0.951 327 S CB -0.477 62.746 63.200 0.037 0.000 0.759 327 S HN 0.593 nan 8.310 nan 0.000 0.523 328 R N -0.817 119.597 120.500 -0.144 0.000 2.235 328 R HA 0.056 4.396 4.340 -0.000 0.000 0.213 328 R C 1.052 176.963 176.300 -0.649 0.000 1.059 328 R CA 1.378 57.232 56.100 -0.410 0.000 0.997 328 R CB -0.149 29.783 30.300 -0.614 0.000 0.884 328 R HN 0.633 nan 8.270 nan 0.000 0.462 329 Y N -2.452 117.607 120.300 -0.401 0.000 2.673 329 Y HA 0.121 4.671 4.550 -0.000 0.000 0.278 329 Y C 0.230 175.620 175.900 -0.850 0.000 1.127 329 Y CA -0.406 57.188 58.100 -0.843 0.000 1.261 329 Y CB 0.408 38.018 38.460 -1.416 0.000 1.412 329 Y HN -0.061 nan 8.280 nan 0.000 0.496 330 W N 1.108 122.509 121.300 0.168 0.000 2.632 330 W HA 0.453 5.113 4.660 -0.000 0.000 0.328 330 W C 0.646 177.185 176.519 0.033 0.000 1.044 330 W CA -0.768 56.630 57.345 0.089 0.000 1.225 330 W CB 0.965 30.482 29.460 0.094 0.000 1.396 330 W HN -0.098 nan 8.180 nan 0.000 0.499 331 E N 1.019 121.355 120.200 0.226 0.000 2.153 331 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 331 E C 0.609 177.245 176.600 0.060 0.000 0.988 331 E CA 1.004 57.468 56.400 0.106 0.000 0.811 331 E CB 0.215 29.960 29.700 0.076 0.000 0.746 331 E HN 0.265 nan 8.360 nan 0.000 0.466 332 R N 0.705 121.248 120.500 0.071 0.000 2.510 332 R HA 0.102 4.442 4.340 -0.000 0.000 0.287 332 R C -1.722 174.515 176.300 -0.106 0.000 1.084 332 R CA -0.471 55.528 56.100 -0.167 0.000 0.934 332 R CB 1.345 31.280 30.300 -0.607 0.000 1.201 332 R HN -0.130 nan 8.270 nan 0.000 0.431 333 D N 2.695 123.056 120.400 -0.065 0.000 2.383 333 D HA 0.140 4.780 4.640 -0.000 0.000 0.248 333 D C 1.099 177.386 176.300 -0.022 0.000 1.170 333 D CA -0.365 53.598 54.000 -0.062 0.000 0.977 333 D CB 1.241 42.075 40.800 0.056 0.000 1.120 333 D HN 0.563 nan 8.370 nan 0.000 0.481 334 L N 1.087 122.299 121.223 -0.018 0.000 2.552 334 L HA 0.104 4.444 4.340 -0.000 0.000 0.227 334 L C 0.976 177.890 176.870 0.074 0.000 1.146 334 L CA 0.277 55.170 54.840 0.088 0.000 0.858 334 L CB -0.517 41.528 42.059 -0.023 0.000 0.969 334 L HN 0.348 nan 8.230 nan 0.000 0.451 335 I N -4.803 115.790 120.570 0.039 0.000 2.982 335 I HA 0.222 4.392 4.170 -0.000 0.000 0.312 335 I C 0.686 176.818 176.117 0.026 0.000 1.041 335 I CA -0.825 60.498 61.300 0.039 0.000 1.053 335 I CB 1.286 39.308 38.000 0.037 0.000 1.248 335 I HN -0.119 nan 8.210 nan 0.000 0.471 336 Q N 0.589 120.404 119.800 0.025 0.000 2.187 336 Q HA 0.023 4.363 4.340 -0.000 0.000 0.199 336 Q C -0.310 175.696 176.000 0.011 0.000 0.957 336 Q CA 1.040 56.851 55.803 0.014 0.000 0.857 336 Q CB 0.023 28.772 28.738 0.018 0.000 0.929 336 Q HN 0.631 nan 8.270 nan 0.000 0.453 337 E N 1.636 121.847 120.200 0.018 0.000 2.313 337 E HA 0.166 4.516 4.350 -0.000 0.000 0.272 337 E C -2.357 174.258 176.600 0.026 0.000 1.038 337 E CA -2.088 54.323 56.400 0.018 0.000 0.863 337 E CB 0.534 30.246 29.700 0.019 0.000 1.060 337 E HN 0.014 nan 8.360 nan 0.000 0.402 338 P HA 0.197 nan 4.420 nan 0.000 0.284 338 P C -0.871 176.452 177.300 0.039 0.000 1.253 338 P CA -0.292 62.829 63.100 0.035 0.000 0.800 338 P CB 0.734 32.448 31.700 0.023 0.000 0.961 339 L N 3.002 124.262 121.223 0.062 0.000 2.408 339 L HA 0.361 4.701 4.340 -0.000 0.000 0.257 339 L C 0.180 177.094 176.870 0.073 0.000 1.053 339 L CA -0.223 54.653 54.840 0.060 0.000 0.922 339 L CB 0.802 42.907 42.059 0.077 0.000 1.261 339 L HN 0.205 nan 8.230 nan 0.000 0.458 340 E N 2.148 122.376 120.200 0.048 0.000 2.210 340 E HA 0.627 4.977 4.350 -0.000 0.000 0.266 340 E C -0.637 175.979 176.600 0.026 0.000 0.883 340 E CA -0.520 55.908 56.400 0.047 0.000 0.761 340 E CB 2.878 32.595 29.700 0.028 0.000 1.156 340 E HN 0.427 nan 8.360 nan 0.000 0.412 341 A N 2.244 125.085 122.820 0.035 0.000 2.310 341 A HA 0.612 4.932 4.320 -0.000 0.000 0.299 341 A C -0.388 177.149 177.584 -0.079 0.000 1.147 341 A CA -0.552 51.481 52.037 -0.006 0.000 0.818 341 A CB 0.873 19.897 19.000 0.040 0.000 1.096 341 A HN 0.329 nan 8.150 nan 0.000 0.495 342 V N 2.014 121.871 119.914 -0.096 0.000 2.588 342 V HA 0.398 4.518 4.120 -0.000 0.000 0.304 342 V C 0.063 176.071 176.094 -0.144 0.000 1.042 342 V CA 0.366 62.590 62.300 -0.127 0.000 0.877 342 V CB 1.440 33.215 31.823 -0.080 0.000 0.996 342 V HN 1.175 nan 8.190 nan 0.000 0.425 343 D N 3.953 124.239 120.400 -0.191 0.000 2.772 343 D HA -0.167 4.473 4.640 -0.000 0.000 0.233 343 D C 1.081 177.287 176.300 -0.157 0.000 1.143 343 D CA 2.008 55.911 54.000 -0.162 0.000 0.700 343 D CB -1.044 39.700 40.800 -0.093 0.000 1.076 343 D HN 1.643 nan 8.370 nan 0.000 0.430 344 G N -1.191 107.460 108.800 -0.248 0.000 2.160 344 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.251 344 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.251 344 G C 0.140 175.020 174.900 -0.033 0.000 1.008 344 G CA 0.407 45.433 45.100 -0.123 0.000 0.724 344 G HN 0.628 nan 8.290 nan 0.000 0.514 345 L N -0.710 120.482 121.223 -0.052 0.000 2.409 345 L HA 0.745 5.085 4.340 -0.000 0.000 0.272 345 L C -0.077 176.783 176.870 -0.018 0.000 0.980 345 L CA -1.098 53.730 54.840 -0.021 0.000 0.826 345 L CB 2.018 44.061 42.059 -0.027 0.000 1.268 345 L HN 0.155 nan 8.230 nan 0.000 0.407 346 M N 6.919 126.517 119.600 -0.004 0.000 2.114 346 M HA 0.547 5.027 4.480 -0.000 0.000 0.332 346 M C -2.571 173.708 176.300 -0.036 0.000 1.014 346 M CA -2.019 53.277 55.300 -0.006 0.000 0.956 346 M CB 1.457 34.066 32.600 0.016 0.000 1.551 346 M HN 0.104 nan 8.290 nan 0.000 0.427 347 P HA 0.130 nan 4.420 nan 0.000 0.274 347 P C -0.925 176.320 177.300 -0.092 0.000 1.231 347 P CA -0.363 62.704 63.100 -0.055 0.000 0.790 347 P CB 0.607 32.283 31.700 -0.040 0.000 0.951 348 V N 4.480 124.320 119.914 -0.122 0.000 2.470 348 V HA 0.109 4.229 4.120 -0.000 0.000 0.276 348 V C -1.544 174.460 176.094 -0.151 0.000 1.040 348 V CA -1.172 61.001 62.300 -0.212 0.000 1.008 348 V CB -0.036 31.653 31.823 -0.223 0.000 0.990 348 V HN 0.595 nan 8.190 nan 0.000 0.477 349 P HA 0.134 nan 4.420 nan 0.000 0.266 349 P C -0.412 176.890 177.300 0.004 0.000 1.215 349 P CA -0.106 62.961 63.100 -0.055 0.000 0.763 349 P CB 0.540 32.222 31.700 -0.031 0.000 0.806 350 Q N 1.431 121.236 119.800 0.008 0.000 2.368 350 Q HA 0.544 4.884 4.340 -0.000 0.000 0.237 350 Q C 0.766 176.782 176.000 0.026 0.000 0.987 350 Q CA 0.098 55.913 55.803 0.022 0.000 0.896 350 Q CB 0.636 29.377 28.738 0.005 0.000 1.241 350 Q HN 0.807 nan 8.270 nan 0.000 0.485 351 G N 1.019 109.829 108.800 0.017 0.000 2.381 351 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.672 351 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.672 351 G C -3.040 171.845 174.900 -0.026 0.000 1.324 351 G CA -1.135 43.963 45.100 -0.003 0.000 0.975 351 G HN 0.482 nan 8.290 nan 0.000 0.593 352 P HA 0.525 nan 4.420 nan 0.000 0.276 352 P C 1.276 178.495 177.300 -0.135 0.000 1.244 352 P CA 1.441 64.483 63.100 -0.097 0.000 0.801 352 P CB 1.048 32.692 31.700 -0.094 0.000 1.006 353 G N 1.779 110.461 108.800 -0.197 0.000 2.622 353 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.307 353 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.307 353 G C 1.102 175.746 174.900 -0.427 0.000 1.226 353 G CA 1.380 46.324 45.100 -0.259 0.000 0.997 353 G HN 0.713 nan 8.290 nan 0.000 0.551 354 T N -0.572 113.788 114.554 -0.323 0.000 3.051 354 T HA 0.329 4.679 4.350 -0.000 0.000 0.269 354 T C 2.663 177.423 174.700 0.099 0.000 1.127 354 T CA 1.695 63.663 62.100 -0.219 0.000 1.107 354 T CB -0.427 68.319 68.868 -0.203 0.000 0.898 354 T HN 2.746 nan 8.240 nan 0.000 0.517 355 G N 0.846 109.659 108.800 0.022 0.000 2.168 355 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.257 355 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.257 355 G C 0.185 175.111 174.900 0.043 0.000 0.997 355 G CA 0.577 45.715 45.100 0.063 0.000 0.708 355 G HN 1.595 nan 8.290 nan 0.000 0.520 356 V N -4.330 115.601 119.914 0.029 0.000 3.141 356 V HA 1.006 5.126 4.120 -0.000 0.000 0.312 356 V C -0.175 175.933 176.094 0.023 0.000 1.157 356 V CA -0.300 62.017 62.300 0.030 0.000 1.041 356 V CB 2.219 34.068 31.823 0.042 0.000 1.071 356 V HN 0.620 nan 8.190 nan 0.000 0.441 357 T N 2.665 117.235 114.554 0.027 0.000 2.928 357 T HA 0.549 4.899 4.350 -0.000 0.000 0.296 357 T C -0.445 174.276 174.700 0.034 0.000 1.000 357 T CA -0.433 61.683 62.100 0.027 0.000 0.989 357 T CB 1.297 70.179 68.868 0.023 0.000 1.005 357 T HN 0.781 nan 8.240 nan 0.000 0.442 358 L N 2.799 124.044 121.223 0.037 0.000 2.525 358 L HA 0.132 4.472 4.340 -0.000 0.000 0.278 358 L C 0.649 177.550 176.870 0.052 0.000 1.218 358 L CA -0.045 54.821 54.840 0.043 0.000 0.878 358 L CB 0.317 42.400 42.059 0.039 0.000 1.127 358 L HN 0.662 nan 8.230 nan 0.000 0.492 359 D N 3.545 123.989 120.400 0.073 0.000 2.441 359 D HA 0.068 4.708 4.640 -0.000 0.000 0.221 359 D C 0.967 177.329 176.300 0.104 0.000 1.156 359 D CA -0.334 53.722 54.000 0.094 0.000 0.896 359 D CB 0.741 41.614 40.800 0.121 0.000 1.028 359 D HN 0.297 nan 8.370 nan 0.000 0.509 360 R N 2.565 123.106 120.500 0.070 0.000 2.090 360 R HA -0.065 4.275 4.340 -0.000 0.000 0.228 360 R C 1.335 177.660 176.300 0.042 0.000 1.110 360 R CA 0.871 57.000 56.100 0.047 0.000 0.973 360 R CB 0.005 30.329 30.300 0.040 0.000 0.869 360 R HN 0.457 nan 8.270 nan 0.000 0.440 361 E N -0.092 120.146 120.200 0.064 0.000 2.031 361 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 361 E C 1.658 178.308 176.600 0.084 0.000 0.994 361 E CA 1.173 57.612 56.400 0.064 0.000 0.800 361 E CB -0.493 29.252 29.700 0.075 0.000 0.752 361 E HN 0.277 nan 8.360 nan 0.000 0.447 362 F N 0.575 120.525 119.950 -0.001 0.000 2.134 362 F HA -0.159 4.368 4.527 0.000 0.000 0.299 362 F C 2.003 177.795 175.800 -0.013 0.000 1.097 362 F CA 0.697 58.694 58.000 -0.005 0.000 1.264 362 F CB -0.033 38.962 39.000 -0.008 0.000 1.001 362 F HN 0.074 nan 8.300 nan 0.000 0.479 363 L N 1.107 122.251 121.223 -0.132 0.000 2.079 363 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 363 L C 2.409 179.140 176.870 -0.232 0.000 1.081 363 L CA 2.050 56.760 54.840 -0.217 0.000 0.752 363 L CB -1.304 40.718 42.059 -0.062 0.000 0.896 363 L HN 0.160 nan 8.230 nan 0.000 0.433 364 A N -1.241 121.493 122.820 -0.144 0.000 1.972 364 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 364 A C 2.319 179.817 177.584 -0.142 0.000 1.169 364 A CA 2.114 54.086 52.037 -0.108 0.000 0.635 364 A CB -1.282 17.686 19.000 -0.052 0.000 0.810 364 A HN 0.645 nan 8.150 nan 0.000 0.446 365 T N -2.628 111.798 114.554 -0.213 0.000 3.055 365 T HA 0.070 4.420 4.350 -0.000 0.000 0.265 365 T C 1.123 175.687 174.700 -0.227 0.000 1.111 365 T CA 1.275 63.264 62.100 -0.186 0.000 1.118 365 T CB -0.281 68.501 68.868 -0.145 0.000 0.909 365 T HN 0.798 nan 8.240 nan 0.000 0.501 366 V N -2.318 117.395 119.914 -0.335 0.000 3.380 366 V HA 0.380 4.500 4.120 -0.000 0.000 0.307 366 V C 0.505 176.497 176.094 -0.169 0.000 1.434 366 V CA -0.618 61.527 62.300 -0.257 0.000 1.075 366 V CB -0.622 30.979 31.823 -0.369 0.000 0.954 366 V HN 0.200 nan 8.190 nan 0.000 0.444 367 T N 3.303 117.768 114.554 -0.150 0.000 2.870 367 T HA 0.198 4.548 4.350 -0.000 0.000 0.300 367 T C 1.066 175.724 174.700 -0.070 0.000 0.989 367 T CA 0.926 62.968 62.100 -0.096 0.000 1.139 367 T CB 0.970 69.791 68.868 -0.079 0.000 0.920 367 T HN 0.861 nan 8.240 nan 0.000 0.537 368 E N 1.669 121.837 120.200 -0.055 0.000 2.511 368 E HA 0.486 4.836 4.350 -0.000 0.000 0.209 368 E C 0.205 176.786 176.600 -0.032 0.000 0.986 368 E CA -0.495 55.879 56.400 -0.043 0.000 0.974 368 E CB 0.629 30.303 29.700 -0.043 0.000 1.030 368 E HN 0.523 nan 8.360 nan 0.000 0.490 369 A N 1.698 124.501 122.820 -0.028 0.000 2.589 369 A HA 0.487 4.807 4.320 -0.000 0.000 0.296 369 A C -1.741 175.837 177.584 -0.010 0.000 1.062 369 A CA -0.843 51.184 52.037 -0.016 0.000 0.686 369 A CB 1.519 20.513 19.000 -0.010 0.000 1.282 369 A HN 0.229 nan 8.150 nan 0.000 0.404 370 Q N 1.045 120.843 119.800 -0.002 0.000 2.352 370 Q HA 0.655 4.995 4.340 -0.000 0.000 0.270 370 Q C -1.406 174.601 176.000 0.012 0.000 1.006 370 Q CA -0.723 55.085 55.803 0.008 0.000 0.880 370 Q CB 1.982 30.720 28.738 0.001 0.000 1.392 370 Q HN 0.931 nan 8.270 nan 0.000 0.401 371 E N 1.394 121.614 120.200 0.034 0.000 2.413 371 E HA 0.570 4.920 4.350 -0.000 0.000 0.277 371 E C -1.298 175.317 176.600 0.025 0.000 0.958 371 E CA -0.939 55.465 56.400 0.007 0.000 0.779 371 E CB 2.656 32.380 29.700 0.040 0.000 1.278 371 E HN 0.554 nan 8.360 nan 0.000 0.456 372 E N 0.758 120.898 120.200 -0.100 0.000 2.266 372 E HA 0.356 4.706 4.350 -0.000 0.000 0.268 372 E C -1.295 175.157 176.600 -0.247 0.000 0.879 372 E CA -0.763 55.606 56.400 -0.052 0.000 0.762 372 E CB 1.692 31.365 29.700 -0.045 0.000 1.199 372 E HN 0.446 nan 8.360 nan 0.000 0.422 373 H N 2.140 121.237 119.070 0.045 0.000 2.679 373 H HA 0.484 5.040 4.556 -0.000 0.000 0.360 373 H C -0.142 175.217 175.328 0.052 0.000 1.105 373 H CA -0.606 55.468 56.048 0.043 0.000 1.196 373 H CB 2.005 31.794 29.762 0.045 0.000 1.636 373 H HN 0.296 nan 8.280 nan 0.000 0.531 374 R N 0.736 121.314 120.500 0.130 0.000 2.905 374 R HA 0.690 5.030 4.340 -0.000 0.000 0.260 374 R C -0.362 175.993 176.300 0.091 0.000 1.086 374 R CA -0.991 55.167 56.100 0.096 0.000 0.978 374 R CB 2.146 32.477 30.300 0.051 0.000 1.215 374 R HN 0.591 nan 8.270 nan 0.000 0.480 375 A N 0.000 122.865 122.820 0.074 0.000 2.254 375 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 375 A CA 0.000 52.074 52.037 0.062 0.000 0.836 375 A CB 0.000 19.032 19.000 0.053 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486