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 2ggi_1_B DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LGTLLGGHKE QVEVGVSLGI QADcQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRcTRE 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 0.000 176.506 176.300 0.343 0.000 0.893 6 R CA 0.000 56.240 56.100 0.234 0.000 0.921 6 R CB 0.000 30.381 30.300 0.135 0.000 0.687 7 M N 1.198 120.922 119.600 0.205 0.000 2.241 7 M HA 0.384 4.863 4.480 -0.002 0.000 0.335 7 M C -0.442 176.010 176.300 0.252 0.000 1.122 7 M CA -0.335 55.057 55.300 0.152 0.000 1.164 7 M CB 0.344 32.923 32.600 -0.035 0.000 1.459 7 M HN 0.445 nan 8.290 nan 0.000 0.461 8 F N -0.085 119.939 119.950 0.122 0.000 2.495 8 F HA 0.669 5.195 4.527 -0.002 0.000 0.327 8 F C -0.642 175.229 175.800 0.119 0.000 1.103 8 F CA -1.299 56.786 58.000 0.142 0.000 0.949 8 F CB 0.778 39.903 39.000 0.207 0.000 1.142 8 F HN 0.412 nan 8.300 nan 0.000 0.457 9 K N 4.713 125.221 120.400 0.180 0.000 2.183 9 K HA 0.565 4.884 4.320 -0.002 0.000 0.274 9 K C -1.097 175.638 176.600 0.225 0.000 1.009 9 K CA -0.567 55.775 56.287 0.092 0.000 0.888 9 K CB 0.960 33.484 32.500 0.040 0.000 1.078 9 K HN 0.902 nan 8.250 nan 0.000 0.459 10 I N 4.801 125.522 120.570 0.252 0.000 2.337 10 I HA 0.061 4.230 4.170 -0.002 0.000 0.291 10 I C 0.727 176.955 176.117 0.185 0.000 1.046 10 I CA 0.022 61.483 61.300 0.269 0.000 1.324 10 I CB 1.260 39.445 38.000 0.308 0.000 1.409 10 I HN 0.790 nan 8.210 nan 0.000 0.494 11 E N 4.502 124.807 120.200 0.175 0.000 2.290 11 E HA 0.335 4.684 4.350 -0.002 0.000 0.197 11 E C 0.315 176.992 176.600 0.127 0.000 0.948 11 E CA 0.012 56.490 56.400 0.129 0.000 0.895 11 E CB 0.669 30.433 29.700 0.108 0.000 0.865 11 E HN 0.730 nan 8.360 nan 0.000 0.486 12 A N 0.637 123.562 122.820 0.174 0.000 2.594 12 A HA 0.833 5.152 4.320 -0.002 0.000 0.291 12 A C -1.631 176.107 177.584 0.256 0.000 1.105 12 A CA -0.339 51.800 52.037 0.170 0.000 0.694 12 A CB 1.800 20.836 19.000 0.060 0.000 1.291 12 A HN 0.078 nan 8.150 nan 0.000 0.410 13 A N 0.532 123.498 122.820 0.243 0.000 2.455 13 A HA 0.732 5.051 4.320 -0.002 0.000 0.300 13 A C -1.045 176.688 177.584 0.248 0.000 1.040 13 A CA -0.418 51.762 52.037 0.239 0.000 0.697 13 A CB 1.121 20.217 19.000 0.159 0.000 1.265 13 A HN 0.729 nan 8.150 nan 0.000 0.407 14 E N 1.523 121.857 120.200 0.223 0.000 2.199 14 E HA 0.554 4.903 4.350 -0.002 0.000 0.269 14 E C -1.175 175.503 176.600 0.131 0.000 0.899 14 E CA -0.477 56.030 56.400 0.178 0.000 0.772 14 E CB 2.359 32.161 29.700 0.170 0.000 1.155 14 E HN 0.576 nan 8.360 nan 0.000 0.408 15 I N 2.909 123.556 120.570 0.128 0.000 2.339 15 I HA 0.279 4.448 4.170 -0.002 0.000 0.290 15 I C -0.751 175.398 176.117 0.054 0.000 0.994 15 I CA -0.931 60.417 61.300 0.079 0.000 1.191 15 I CB 1.358 39.405 38.000 0.079 0.000 1.343 15 I HN 0.177 nan 8.210 nan 0.000 0.458 16 V N 7.193 127.125 119.914 0.030 0.000 2.487 16 V HA 0.371 4.490 4.120 -0.002 0.000 0.298 16 V C -0.110 175.980 176.094 -0.006 0.000 1.028 16 V CA -0.733 61.573 62.300 0.009 0.000 0.860 16 V CB 2.085 33.909 31.823 0.002 0.000 0.991 16 V HN 0.379 nan 8.190 nan 0.000 0.427 17 V N 4.173 124.079 119.914 -0.013 0.000 2.347 17 V HA 0.785 4.904 4.120 -0.002 0.000 0.280 17 V C 0.501 176.574 176.094 -0.035 0.000 1.021 17 V CA -0.354 61.934 62.300 -0.020 0.000 0.847 17 V CB 1.295 33.111 31.823 -0.013 0.000 0.990 17 V HN 0.995 nan 8.190 nan 0.000 0.444 18 A N 5.101 127.894 122.820 -0.046 0.000 2.306 18 A HA 0.848 5.167 4.320 -0.002 0.000 0.330 18 A C -0.038 177.526 177.584 -0.034 0.000 1.146 18 A CA -0.829 51.168 52.037 -0.067 0.000 0.827 18 A CB 1.044 19.978 19.000 -0.110 0.000 1.178 18 A HN 0.782 nan 8.150 nan 0.000 0.490 19 R N 1.618 122.107 120.500 -0.018 0.000 2.310 19 R HA 0.469 4.808 4.340 -0.002 0.000 0.316 19 R C -1.869 174.528 176.300 0.162 0.000 1.004 19 R CA -0.504 55.637 56.100 0.069 0.000 0.900 19 R CB 0.580 30.894 30.300 0.023 0.000 1.152 19 R HN 0.585 nan 8.270 nan 0.000 0.513 20 L N 6.681 127.989 121.223 0.142 0.000 2.272 20 L HA 0.522 4.861 4.340 -0.002 0.000 0.289 20 L C -2.384 174.625 176.870 0.231 0.000 1.032 20 L CA -2.351 52.537 54.840 0.081 0.000 0.810 20 L CB 1.499 43.391 42.059 -0.278 0.000 1.205 20 L HN 0.474 nan 8.230 nan 0.000 0.422 21 P HA 0.132 nan 4.420 nan 0.000 0.271 21 P C -0.411 177.030 177.300 0.235 0.000 1.226 21 P CA -0.064 62.959 63.100 -0.129 0.000 0.765 21 P CB 0.385 32.012 31.700 -0.121 0.000 0.835 22 L N 2.271 123.571 121.223 0.128 0.000 2.473 22 L HA 0.116 4.455 4.340 -0.002 0.000 0.265 22 L C 1.508 178.401 176.870 0.039 0.000 1.243 22 L CA -0.094 54.785 54.840 0.065 0.000 0.822 22 L CB -0.043 41.987 42.059 -0.048 0.000 1.101 22 L HN 0.403 nan 8.230 nan 0.000 0.507 35 H N 0.805 119.938 119.070 0.105 0.000 2.821 35 H HA 0.717 5.272 4.556 -0.002 0.000 0.373 35 H C -1.143 174.281 175.328 0.159 0.000 1.165 35 H CA -0.762 55.371 56.048 0.142 0.000 1.154 35 H CB 2.658 32.478 29.762 0.096 0.000 1.765 35 H HN 0.267 nan 8.280 nan 0.000 0.549 36 K N 1.683 122.285 120.400 0.337 0.000 2.397 36 K HA 0.360 4.678 4.320 -0.002 0.000 0.253 36 K C -1.264 175.454 176.600 0.196 0.000 0.932 36 K CA -0.635 55.822 56.287 0.282 0.000 0.795 36 K CB 1.598 34.347 32.500 0.414 0.000 1.159 36 K HN 0.232 nan 8.250 nan 0.000 0.424 37 V N 4.561 124.551 119.914 0.127 0.000 2.470 37 V HA 0.141 4.260 4.120 -0.002 0.000 0.276 37 V C -0.455 175.668 176.094 0.049 0.000 1.040 37 V CA -0.446 61.895 62.300 0.068 0.000 1.008 37 V CB 1.030 32.878 31.823 0.043 0.000 0.990 37 V HN 0.542 nan 8.190 nan 0.000 0.477 38 V N 8.353 128.274 119.914 0.011 0.000 2.304 38 V HA 0.333 4.452 4.120 -0.002 0.000 0.278 38 V C -2.404 173.676 176.094 -0.022 0.000 1.018 38 V CA -1.848 60.443 62.300 -0.014 0.000 0.814 38 V CB 1.585 33.363 31.823 -0.075 0.000 1.021 38 V HN 0.742 nan 8.190 nan 0.000 0.440 39 P HA 0.437 nan 4.420 nan 0.000 0.282 39 P C -0.847 176.446 177.300 -0.013 0.000 1.262 39 P CA -0.086 63.007 63.100 -0.011 0.000 0.773 39 P CB 0.826 32.521 31.700 -0.008 0.000 0.879 40 L N 3.412 124.630 121.223 -0.009 0.000 2.362 40 L HA 0.602 4.941 4.340 -0.002 0.000 0.271 40 L C -0.373 176.503 176.870 0.010 0.000 1.002 40 L CA -1.138 53.700 54.840 -0.003 0.000 0.818 40 L CB 1.914 43.970 42.059 -0.004 0.000 1.298 40 L HN 0.201 nan 8.230 nan 0.000 0.420 41 L N 3.700 124.931 121.223 0.012 0.000 2.333 41 L HA 0.624 4.963 4.340 -0.002 0.000 0.280 41 L C -0.949 175.933 176.870 0.019 0.000 1.004 41 L CA -0.009 54.846 54.840 0.024 0.000 0.820 41 L CB 1.548 43.619 42.059 0.021 0.000 1.247 41 L HN 0.388 nan 8.230 nan 0.000 0.416 42 I N 6.147 126.730 120.570 0.022 0.000 2.382 42 I HA 0.381 4.550 4.170 -0.002 0.000 0.286 42 I C -0.790 175.294 176.117 -0.055 0.000 1.002 42 I CA -0.400 60.874 61.300 -0.043 0.000 1.135 42 I CB 1.468 39.443 38.000 -0.042 0.000 1.288 42 I HN 0.432 nan 8.210 nan 0.000 0.448 43 L N 5.852 127.016 121.223 -0.098 0.000 2.309 43 L HA 0.510 4.849 4.340 -0.002 0.000 0.282 43 L C -0.349 176.427 176.870 -0.157 0.000 1.036 43 L CA -0.673 54.149 54.840 -0.030 0.000 0.806 43 L CB 1.007 43.087 42.059 0.036 0.000 1.220 43 L HN 0.506 nan 8.230 nan 0.000 0.429 44 H N 1.892 121.016 119.070 0.089 0.000 2.505 44 H HA 0.689 5.244 4.556 -0.002 0.000 0.338 44 H C -0.228 175.165 175.328 0.108 0.000 1.057 44 H CA -0.466 55.632 56.048 0.082 0.000 1.202 44 H CB 2.232 32.036 29.762 0.070 0.000 1.466 44 H HN 0.781 nan 8.280 nan 0.000 0.499 45 G N 1.337 110.257 108.800 0.201 0.000 2.616 45 G HA2 0.206 4.165 3.960 -0.002 0.000 0.294 45 G HA3 0.206 4.165 3.960 -0.002 0.000 0.294 45 G C -0.742 174.252 174.900 0.156 0.000 1.489 45 G CA -0.838 44.380 45.100 0.197 0.000 0.836 45 G HN 0.454 nan 8.290 nan 0.000 0.527 46 E N -0.717 119.570 120.200 0.145 0.000 2.586 46 E HA -0.272 4.077 4.350 -0.002 0.000 0.259 46 E C 1.452 178.102 176.600 0.082 0.000 1.107 46 E CA 1.985 58.455 56.400 0.116 0.000 0.754 46 E CB -1.592 28.191 29.700 0.140 0.000 1.335 46 E HN 2.562 nan 8.360 nan 0.000 0.411 47 G N -1.805 107.047 108.800 0.086 0.000 2.162 47 G HA2 -0.336 3.623 3.960 -0.002 0.000 0.260 47 G HA3 -0.336 3.623 3.960 -0.002 0.000 0.260 47 G C 0.465 175.402 174.900 0.062 0.000 0.976 47 G CA 1.103 46.245 45.100 0.069 0.000 0.655 47 G HN 1.067 nan 8.290 nan 0.000 0.533 48 V N -3.022 116.929 119.914 0.061 0.000 3.155 48 V HA 0.978 5.097 4.120 -0.002 0.000 0.313 48 V C -0.394 175.709 176.094 0.014 0.000 1.162 48 V CA -0.268 62.048 62.300 0.026 0.000 1.048 48 V CB 1.837 33.651 31.823 -0.014 0.000 1.092 48 V HN 1.053 nan 8.190 nan 0.000 0.447 49 Q N 0.592 120.361 119.800 -0.051 0.000 2.389 49 Q HA 0.801 5.140 4.340 -0.002 0.000 0.277 49 Q C -0.542 175.390 176.000 -0.113 0.000 1.082 49 Q CA -0.636 55.072 55.803 -0.157 0.000 0.810 49 Q CB 2.342 30.894 28.738 -0.310 0.000 1.374 49 Q HN 1.263 nan 8.270 nan 0.000 0.422 50 G N 0.792 109.527 108.800 -0.108 0.000 2.415 50 G HA2 0.583 4.542 3.960 -0.002 0.000 0.327 50 G HA3 0.583 4.542 3.960 -0.002 0.000 0.327 50 G C -1.081 173.809 174.900 -0.017 0.000 1.182 50 G CA -0.647 44.433 45.100 -0.033 0.000 0.924 50 G HN 0.411 nan 8.290 nan 0.000 0.470 51 V N 0.613 120.560 119.914 0.054 0.000 2.656 51 V HA 0.873 4.992 4.120 -0.002 0.000 0.307 51 V C 0.194 176.400 176.094 0.187 0.000 1.051 51 V CA -0.614 61.730 62.300 0.074 0.000 0.893 51 V CB 1.241 33.092 31.823 0.047 0.000 0.999 51 V HN 1.234 nan 8.190 nan 0.000 0.426 52 A N 3.125 125.993 122.820 0.080 0.000 2.566 52 A HA 0.887 5.206 4.320 -0.002 0.000 0.292 52 A C -1.027 176.536 177.584 -0.035 0.000 1.112 52 A CA -0.642 51.382 52.037 -0.022 0.000 0.707 52 A CB 2.016 20.933 19.000 -0.139 0.000 1.302 52 A HN 0.846 nan 8.150 nan 0.000 0.409 53 E N 0.854 121.008 120.200 -0.078 0.000 2.199 53 E HA 0.534 4.883 4.350 -0.002 0.000 0.265 53 E C 0.110 176.676 176.600 -0.056 0.000 0.882 53 E CA -0.633 55.741 56.400 -0.043 0.000 0.759 53 E CB 1.566 31.255 29.700 -0.018 0.000 1.148 53 E HN 0.957 nan 8.360 nan 0.000 0.412 54 G N 1.538 110.318 108.800 -0.034 0.000 2.432 54 G HA2 0.197 4.156 3.960 -0.002 0.000 0.257 54 G HA3 0.197 4.156 3.960 -0.002 0.000 0.257 54 G C 0.635 175.521 174.900 -0.023 0.000 1.238 54 G CA 0.048 45.131 45.100 -0.027 0.000 0.838 54 G HN 0.609 nan 8.290 nan 0.000 0.547 55 T N 0.074 114.613 114.554 -0.025 0.000 3.044 55 T HA 0.193 4.542 4.350 -0.002 0.000 0.260 55 T C 1.132 175.827 174.700 -0.008 0.000 1.019 55 T CA -0.395 61.687 62.100 -0.030 0.000 0.921 55 T CB -0.060 68.771 68.868 -0.061 0.000 1.053 55 T HN 0.532 nan 8.240 nan 0.000 0.533 56 M N 1.425 121.029 119.600 0.007 0.000 2.240 56 M HA 0.523 5.002 4.480 -0.002 0.000 0.333 56 M C -0.579 175.727 176.300 0.011 0.000 1.110 56 M CA 0.085 55.395 55.300 0.017 0.000 1.173 56 M CB 0.171 32.777 32.600 0.010 0.000 1.458 56 M HN 0.071 nan 8.290 nan 0.000 0.458 57 E N 1.464 121.672 120.200 0.014 0.000 2.254 57 E HA 0.632 4.981 4.350 -0.002 0.000 0.258 57 E C 0.926 177.529 176.600 0.005 0.000 1.033 57 E CA -0.437 55.971 56.400 0.013 0.000 0.893 57 E CB 1.064 30.775 29.700 0.018 0.000 1.204 57 E HN 0.777 nan 8.360 nan 0.000 0.425 58 A N 0.945 123.769 122.820 0.007 0.000 1.930 58 A HA -0.083 4.236 4.320 -0.002 0.000 0.217 58 A C 0.788 178.369 177.584 -0.006 0.000 1.175 58 A CA 1.282 53.319 52.037 0.001 0.000 0.627 58 A CB -0.124 18.879 19.000 0.005 0.000 0.815 58 A HN 0.399 nan 8.150 nan 0.000 0.443 59 R N -0.986 119.510 120.500 -0.006 0.000 2.832 59 R HA 0.443 4.782 4.340 -0.002 0.000 0.271 59 R C -2.961 173.323 176.300 -0.026 0.000 0.996 59 R CA -2.241 53.850 56.100 -0.015 0.000 0.977 59 R CB 0.921 31.213 30.300 -0.013 0.000 1.168 59 R HN -0.036 nan 8.270 nan 0.000 0.482 60 P HA 0.158 nan 4.420 nan 0.000 0.247 60 P C -0.406 176.823 177.300 -0.118 0.000 1.756 60 P CA 0.269 63.320 63.100 -0.083 0.000 1.117 60 P CB 0.388 32.034 31.700 -0.091 0.000 1.869 61 M N 0.552 120.100 119.600 -0.086 0.000 2.906 61 M HA 0.046 4.525 4.480 -0.002 0.000 0.252 61 M C 1.662 177.897 176.300 -0.110 0.000 1.359 61 M CA 0.862 56.113 55.300 -0.082 0.000 1.239 61 M CB -0.343 32.246 32.600 -0.018 0.000 1.229 61 M HN 0.096 nan 8.290 nan 0.000 0.547 62 Y N 1.102 121.305 120.300 -0.162 0.000 2.263 62 Y HA 0.135 4.683 4.550 -0.002 0.000 0.292 62 Y C 1.351 177.077 175.900 -0.290 0.000 1.130 62 Y CA 1.232 59.231 58.100 -0.169 0.000 1.179 62 Y CB 0.366 38.768 38.460 -0.097 0.000 0.998 62 Y HN 0.000 nan 8.280 nan 0.000 0.532 63 R N -0.987 119.260 120.500 -0.423 0.000 3.142 63 R HA 0.094 4.433 4.340 -0.002 0.000 0.260 63 R C 1.000 177.064 176.300 -0.392 0.000 1.129 63 R CA 0.149 55.865 56.100 -0.638 0.000 0.976 63 R CB 0.461 30.471 30.300 -0.484 0.000 1.396 63 R HN 0.102 nan 8.270 nan 0.000 0.434 64 E N 0.965 120.995 120.200 -0.283 0.000 2.385 64 E HA 0.027 4.376 4.350 -0.002 0.000 0.194 64 E C -0.615 175.949 176.600 -0.061 0.000 1.013 64 E CA 0.810 57.123 56.400 -0.144 0.000 0.866 64 E CB 0.345 30.029 29.700 -0.025 0.000 0.832 64 E HN 0.426 nan 8.360 nan 0.000 0.500 65 E N 1.153 121.330 120.200 -0.038 0.000 2.349 65 E HA 0.282 4.631 4.350 -0.002 0.000 0.262 65 E C -0.235 176.354 176.600 -0.019 0.000 1.088 65 E CA -0.040 56.351 56.400 -0.014 0.000 0.899 65 E CB 1.224 30.928 29.700 0.006 0.000 1.044 65 E HN 0.256 nan 8.360 nan 0.000 0.420 66 T N -1.995 112.548 114.554 -0.019 0.000 2.906 66 T HA 0.382 4.731 4.350 -0.002 0.000 0.295 66 T C 1.022 175.710 174.700 -0.020 0.000 1.075 66 T CA -0.763 61.326 62.100 -0.019 0.000 1.005 66 T CB 0.736 69.591 68.868 -0.022 0.000 1.136 66 T HN 0.387 nan 8.240 nan 0.000 0.498 67 I N 1.301 121.862 120.570 -0.015 0.000 2.127 67 I HA -0.150 4.019 4.170 -0.002 0.000 0.241 67 I C 3.060 179.160 176.117 -0.028 0.000 1.075 67 I CA 1.898 63.187 61.300 -0.018 0.000 1.334 67 I CB -0.755 37.239 38.000 -0.010 0.000 1.040 67 I HN 0.906 nan 8.210 nan 0.000 0.405 68 A N 0.896 123.700 122.820 -0.027 0.000 1.908 68 A HA -0.184 4.135 4.320 -0.002 0.000 0.218 68 A C 2.428 179.983 177.584 -0.049 0.000 1.181 68 A CA 2.161 54.179 52.037 -0.033 0.000 0.627 68 A CB -1.502 17.482 19.000 -0.027 0.000 0.818 68 A HN 0.498 nan 8.150 nan 0.000 0.445 69 G N -0.919 107.851 108.800 -0.050 0.000 2.402 69 G HA2 0.070 4.029 3.960 -0.002 0.000 0.216 69 G HA3 0.070 4.029 3.960 -0.002 0.000 0.216 69 G C 1.725 176.564 174.900 -0.101 0.000 1.162 69 G CA 1.365 46.423 45.100 -0.069 0.000 0.777 69 G HN 0.792 nan 8.290 nan 0.000 0.539 70 A N 0.639 123.409 122.820 -0.082 0.000 1.873 70 A HA 0.157 4.476 4.320 -0.002 0.000 0.215 70 A C 2.415 179.925 177.584 -0.123 0.000 1.186 70 A CA 1.134 53.113 52.037 -0.096 0.000 0.616 70 A CB -0.396 18.576 19.000 -0.047 0.000 0.823 70 A HN 0.325 nan 8.150 nan 0.000 0.442 71 L N -0.613 120.557 121.223 -0.087 0.000 2.093 71 L HA -0.160 4.179 4.340 -0.002 0.000 0.208 71 L C 2.347 179.148 176.870 -0.114 0.000 1.085 71 L CA 1.772 56.562 54.840 -0.083 0.000 0.755 71 L CB -0.701 41.332 42.059 -0.044 0.000 0.904 71 L HN 0.510 nan 8.230 nan 0.000 0.435 72 D N 0.397 120.727 120.400 -0.115 0.000 2.144 72 D HA -0.227 4.412 4.640 -0.002 0.000 0.199 72 D C 2.113 178.286 176.300 -0.212 0.000 0.984 72 D CA 0.830 54.753 54.000 -0.128 0.000 0.834 72 D CB 0.147 40.885 40.800 -0.103 0.000 0.955 72 D HN 0.095 nan 8.370 nan 0.000 0.465 73 L N 0.064 121.109 121.223 -0.296 0.000 2.056 73 L HA 0.026 4.365 4.340 -0.002 0.000 0.207 73 L C 2.053 178.546 176.870 -0.629 0.000 1.078 73 L CA 1.288 55.808 54.840 -0.533 0.000 0.749 73 L CB -0.451 41.214 42.059 -0.656 0.000 0.901 73 L HN 0.199 nan 8.230 nan 0.000 0.433 74 L N -0.365 120.617 121.223 -0.402 0.000 1.976 74 L HA -0.233 4.106 4.340 -0.002 0.000 0.209 74 L C 2.832 179.566 176.870 -0.227 0.000 1.071 74 L CA 2.061 56.765 54.840 -0.226 0.000 0.746 74 L CB -0.636 41.354 42.059 -0.116 0.000 0.890 74 L HN 0.375 nan 8.230 nan 0.000 0.432 75 R N -0.106 120.247 120.500 -0.245 0.000 2.115 75 R HA -0.026 4.313 4.340 -0.002 0.000 0.226 75 R C 2.001 178.191 176.300 -0.183 0.000 1.100 75 R CA 1.307 57.223 56.100 -0.308 0.000 0.980 75 R CB -0.698 29.489 30.300 -0.190 0.000 0.875 75 R HN 0.265 nan 8.270 nan 0.000 0.445 76 G N -0.714 107.988 108.800 -0.163 0.000 2.744 76 G HA2 0.016 3.975 3.960 -0.002 0.000 0.211 76 G HA3 0.016 3.975 3.960 -0.002 0.000 0.211 76 G C 0.747 175.568 174.900 -0.131 0.000 1.146 76 G CA 0.655 45.684 45.100 -0.119 0.000 0.787 76 G HN 0.361 nan 8.290 nan 0.000 0.534 77 T N -0.359 114.073 114.554 -0.204 0.000 3.280 77 T HA 0.193 4.542 4.350 -0.002 0.000 0.256 77 T C 1.703 176.427 174.700 0.041 0.000 0.995 77 T CA -0.200 61.793 62.100 -0.179 0.000 1.144 77 T CB -0.047 68.530 68.868 -0.485 0.000 1.140 77 T HN -0.019 nan 8.240 nan 0.000 0.423 78 F N 2.109 121.962 119.950 -0.162 0.000 2.128 78 F HA 0.257 4.783 4.527 -0.002 0.000 0.295 78 F C 2.189 177.950 175.800 -0.066 0.000 1.100 78 F CA 0.197 58.134 58.000 -0.105 0.000 1.260 78 F CB -1.254 37.683 39.000 -0.106 0.000 1.009 78 F HN 0.070 nan 8.300 nan 0.000 0.476 79 L N -0.228 121.056 121.223 0.102 0.000 2.027 79 L HA -0.151 4.188 4.340 -0.002 0.000 0.206 79 L C -0.287 176.614 176.870 0.052 0.000 1.074 79 L CA 1.401 56.259 54.840 0.029 0.000 0.745 79 L CB -2.121 39.872 42.059 -0.110 0.000 0.898 79 L HN 0.040 nan 8.230 nan 0.000 0.433 80 P HA -0.162 nan 4.420 nan 0.000 0.219 80 P C 1.264 178.617 177.300 0.088 0.000 1.146 80 P CA 1.575 64.712 63.100 0.062 0.000 0.808 80 P CB 0.012 31.739 31.700 0.046 0.000 0.779 81 A N -0.599 122.287 122.820 0.111 0.000 2.016 81 A HA -0.066 4.253 4.320 -0.002 0.000 0.217 81 A C 1.998 179.677 177.584 0.158 0.000 1.162 81 A CA 1.210 53.326 52.037 0.131 0.000 0.662 81 A CB -1.193 17.903 19.000 0.160 0.000 0.812 81 A HN 0.352 nan 8.150 nan 0.000 0.450 82 I N -3.939 116.730 120.570 0.165 0.000 3.790 82 I HA 0.314 4.483 4.170 -0.002 0.000 0.305 82 I C 0.170 176.432 176.117 0.241 0.000 1.253 82 I CA -0.274 61.188 61.300 0.270 0.000 1.355 82 I CB -0.099 37.983 38.000 0.136 0.000 1.137 82 I HN -0.060 nan 8.210 nan 0.000 0.435 83 L N 3.492 124.808 121.223 0.154 0.000 2.499 83 L HA 0.266 4.605 4.340 -0.002 0.000 0.273 83 L C 1.404 178.330 176.870 0.093 0.000 1.195 83 L CA 1.167 56.086 54.840 0.132 0.000 0.882 83 L CB 0.368 42.495 42.059 0.115 0.000 1.133 83 L HN 0.613 nan 8.230 nan 0.000 0.483 84 G N 1.373 110.220 108.800 0.078 0.000 2.179 84 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.260 84 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.260 84 G C 0.246 175.121 174.900 -0.041 0.000 0.977 84 G CA -0.360 44.755 45.100 0.025 0.000 0.641 84 G HN 0.503 nan 8.290 nan 0.000 0.533 85 Q N 0.499 120.261 119.800 -0.063 0.000 2.214 85 Q HA 0.647 4.986 4.340 -0.002 0.000 0.251 85 Q C -0.147 175.515 176.000 -0.563 0.000 0.936 85 Q CA 0.008 55.611 55.803 -0.333 0.000 0.894 85 Q CB 1.491 29.989 28.738 -0.400 0.000 1.252 85 Q HN 0.213 nan 8.270 nan 0.000 0.448 86 T N 2.137 116.219 114.554 -0.787 0.000 2.797 86 T HA 0.689 5.038 4.350 -0.002 0.000 0.279 86 T C -0.732 173.333 174.700 -1.059 0.000 0.991 86 T CA -0.265 61.432 62.100 -0.673 0.000 0.979 86 T CB 0.265 68.922 68.868 -0.351 0.000 0.943 86 T HN 0.246 nan 8.240 nan 0.000 0.444 87 F N 0.269 119.838 119.950 -0.636 0.000 2.576 87 F HA 0.598 5.124 4.527 -0.002 0.000 0.313 87 F C 0.987 176.310 175.800 -0.795 0.000 1.078 87 F CA -1.250 56.283 58.000 -0.778 0.000 0.921 87 F CB 1.612 39.992 39.000 -1.034 0.000 1.232 87 F HN 0.632 nan 8.300 nan 0.000 0.459 88 A N 1.742 124.366 122.820 -0.327 0.000 2.021 88 A HA 0.178 4.497 4.320 -0.002 0.000 0.216 88 A C 0.136 177.399 177.584 -0.535 0.000 1.163 88 A CA 1.257 53.118 52.037 -0.295 0.000 0.676 88 A CB -0.575 18.314 19.000 -0.185 0.000 0.818 88 A HN 0.836 nan 8.150 nan 0.000 0.453 89 N N -4.322 114.053 118.700 -0.542 0.000 3.185 89 N HA 0.277 5.016 4.740 -0.002 0.000 0.238 89 N C -3.183 171.971 175.510 -0.593 0.000 1.451 89 N CA -1.377 51.136 53.050 -0.895 0.000 0.888 89 N CB 0.247 38.257 38.487 -0.794 0.000 1.413 89 N HN -0.278 nan 8.380 nan 0.000 0.511 90 P HA -0.026 nan 4.420 nan 0.000 0.222 90 P C 0.409 177.428 177.300 -0.468 0.000 1.147 90 P CA 1.249 63.911 63.100 -0.731 0.000 0.790 90 P CB 0.286 31.052 31.700 -1.555 0.000 0.780 91 E N -0.190 119.787 120.200 -0.373 0.000 2.106 91 E HA -0.094 4.255 4.350 -0.002 0.000 0.192 91 E C 2.146 178.644 176.600 -0.170 0.000 0.984 91 E CA 1.330 57.626 56.400 -0.173 0.000 0.806 91 E CB -1.032 28.616 29.700 -0.086 0.000 0.750 91 E HN 0.145 nan 8.360 nan 0.000 0.458 92 A N 0.467 123.167 122.820 -0.201 0.000 1.930 92 A HA -0.141 4.178 4.320 -0.002 0.000 0.217 92 A C 2.407 179.875 177.584 -0.193 0.000 1.175 92 A CA 1.273 53.245 52.037 -0.109 0.000 0.627 92 A CB -0.639 18.345 19.000 -0.027 0.000 0.815 92 A HN 0.143 nan 8.150 nan 0.000 0.443 93 V N 0.163 119.772 119.914 -0.508 0.000 2.237 93 V HA -0.250 3.869 4.120 -0.002 0.000 0.245 93 V C 2.769 178.615 176.094 -0.414 0.000 1.046 93 V CA 2.406 64.223 62.300 -0.805 0.000 1.007 93 V CB -1.137 30.215 31.823 -0.784 0.000 0.638 93 V HN 0.567 nan 8.190 nan 0.000 0.445 94 S N 0.023 115.552 115.700 -0.285 0.000 2.374 94 S HA -0.308 4.161 4.470 -0.002 0.000 0.227 94 S C 1.809 176.311 174.600 -0.163 0.000 1.037 94 S CA 2.009 60.087 58.200 -0.204 0.000 1.024 94 S CB -0.543 62.589 63.200 -0.113 0.000 0.861 94 S HN 0.774 nan 8.310 nan 0.000 0.456 95 D N 1.396 121.722 120.400 -0.122 0.000 2.178 95 D HA 0.003 4.642 4.640 -0.002 0.000 0.202 95 D C 1.885 178.157 176.300 -0.047 0.000 0.974 95 D CA 1.004 54.963 54.000 -0.069 0.000 0.841 95 D CB -0.284 40.489 40.800 -0.046 0.000 0.953 95 D HN 0.353 nan 8.370 nan 0.000 0.478 96 A N -0.217 122.579 122.820 -0.040 0.000 2.070 96 A HA -0.034 4.285 4.320 -0.002 0.000 0.220 96 A C 1.979 179.567 177.584 0.006 0.000 1.159 96 A CA 0.776 52.831 52.037 0.030 0.000 0.656 96 A CB -0.509 18.575 19.000 0.140 0.000 0.800 96 A HN 0.403 nan 8.150 nan 0.000 0.453 97 L N -1.288 119.883 121.223 -0.087 0.000 2.607 97 L HA 0.149 4.488 4.340 -0.002 0.000 0.228 97 L C 2.364 179.257 176.870 0.039 0.000 1.123 97 L CA 0.316 55.094 54.840 -0.104 0.000 0.890 97 L CB -0.264 41.469 42.059 -0.543 0.000 1.103 97 L HN 0.397 nan 8.230 nan 0.000 0.468 98 G N 0.595 109.387 108.800 -0.012 0.000 2.462 98 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.220 98 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.220 98 G C 1.688 176.570 174.900 -0.030 0.000 1.121 98 G CA 1.125 46.208 45.100 -0.027 0.000 0.758 98 G HN 0.503 nan 8.290 nan 0.000 0.559 99 S N -0.634 114.995 115.700 -0.118 0.000 2.461 99 S HA 0.116 4.585 4.470 -0.002 0.000 0.228 99 S C 0.719 175.198 174.600 -0.202 0.000 1.005 99 S CA -0.254 57.819 58.200 -0.213 0.000 0.942 99 S CB -0.297 62.716 63.200 -0.311 0.000 0.776 99 S HN 0.342 nan 8.310 nan 0.000 0.514 100 Y N 2.691 123.041 120.300 0.082 0.000 2.480 100 Y HA 0.302 4.851 4.550 -0.002 0.000 0.338 100 Y C 1.215 177.173 175.900 0.097 0.000 1.220 100 Y CA -0.475 57.696 58.100 0.118 0.000 1.430 100 Y CB 0.444 39.045 38.460 0.236 0.000 1.311 100 Y HN -0.025 nan 8.280 nan 0.000 0.575 101 R N 1.553 122.186 120.500 0.222 0.000 2.428 101 R HA 0.446 4.784 4.340 -0.002 0.000 0.294 101 R C 0.801 177.185 176.300 0.141 0.000 1.000 101 R CA 0.093 56.275 56.100 0.136 0.000 0.960 101 R CB 1.115 31.468 30.300 0.089 0.000 1.076 101 R HN 0.979 nan 8.270 nan 0.000 0.475 102 G N 2.533 111.400 108.800 0.111 0.000 2.596 102 G HA2 -0.424 3.535 3.960 -0.002 0.000 0.295 102 G HA3 -0.424 3.535 3.960 -0.002 0.000 0.295 102 G C -0.174 174.802 174.900 0.127 0.000 1.240 102 G CA 0.276 45.438 45.100 0.103 0.000 0.985 102 G HN 0.872 nan 8.290 nan 0.000 0.555 103 N N -0.205 118.559 118.700 0.108 0.000 2.725 103 N HA -0.192 4.547 4.740 -0.002 0.000 0.251 103 N C 1.527 177.118 175.510 0.135 0.000 1.031 103 N CA 1.254 54.371 53.050 0.112 0.000 0.720 103 N CB -0.360 38.201 38.487 0.122 0.000 0.930 103 N HN 0.710 nan 8.380 nan 0.000 0.543 104 R N 0.238 120.797 120.500 0.098 0.000 2.090 104 R HA 0.049 4.388 4.340 -0.002 0.000 0.228 104 R C 2.191 178.530 176.300 0.065 0.000 1.110 104 R CA 1.142 57.290 56.100 0.079 0.000 0.973 104 R CB -0.031 30.306 30.300 0.061 0.000 0.869 104 R HN 0.397 nan 8.270 nan 0.000 0.440 105 M N 0.045 119.682 119.600 0.060 0.000 2.175 105 M HA -0.066 4.413 4.480 -0.002 0.000 0.264 105 M C 2.493 178.823 176.300 0.050 0.000 1.063 105 M CA 1.536 56.859 55.300 0.039 0.000 1.119 105 M CB -0.248 32.373 32.600 0.036 0.000 1.377 105 M HN 0.182 nan 8.290 nan 0.000 0.415 106 A N 0.725 123.596 122.820 0.086 0.000 1.898 106 A HA -0.125 4.194 4.320 -0.002 0.000 0.216 106 A C 2.199 179.927 177.584 0.241 0.000 1.181 106 A CA 1.258 53.372 52.037 0.129 0.000 0.620 106 A CB -0.496 18.557 19.000 0.089 0.000 0.819 106 A HN 0.372 nan 8.150 nan 0.000 0.442 107 R N -0.223 120.435 120.500 0.263 0.000 2.081 107 R HA -0.102 4.237 4.340 -0.002 0.000 0.235 107 R C 2.379 178.686 176.300 0.013 0.000 1.131 107 R CA 1.355 57.507 56.100 0.086 0.000 0.960 107 R CB -0.961 29.335 30.300 -0.006 0.000 0.856 107 R HN 0.509 nan 8.270 nan 0.000 0.436 108 A N 1.415 124.246 122.820 0.019 0.000 1.972 108 A HA -0.142 4.177 4.320 -0.002 0.000 0.219 108 A C 2.301 179.861 177.584 -0.039 0.000 1.169 108 A CA 1.350 53.372 52.037 -0.025 0.000 0.635 108 A CB -0.430 18.538 19.000 -0.053 0.000 0.810 108 A HN 0.195 nan 8.150 nan 0.000 0.446 109 M N -0.727 118.866 119.600 -0.012 0.000 2.086 109 M HA -0.154 4.325 4.480 -0.002 0.000 0.261 109 M C 2.109 178.408 176.300 -0.001 0.000 1.067 109 M CA 1.685 56.975 55.300 -0.018 0.000 1.116 109 M CB -0.554 32.052 32.600 0.009 0.000 1.348 109 M HN 0.272 nan 8.290 nan 0.000 0.407 110 V N -0.007 119.916 119.914 0.015 0.000 2.261 110 V HA -0.234 3.885 4.120 -0.002 0.000 0.246 110 V C 2.418 178.497 176.094 -0.025 0.000 1.047 110 V CA 1.947 64.240 62.300 -0.012 0.000 1.015 110 V CB -0.899 30.891 31.823 -0.054 0.000 0.642 110 V HN 0.492 nan 8.190 nan 0.000 0.446 111 E N 0.034 120.220 120.200 -0.024 0.000 2.077 111 E HA -0.212 4.137 4.350 -0.002 0.000 0.193 111 E C 2.178 178.896 176.600 0.197 0.000 0.989 111 E CA 1.711 58.130 56.400 0.031 0.000 0.800 111 E CB -0.112 29.619 29.700 0.052 0.000 0.746 111 E HN 0.594 nan 8.360 nan 0.000 0.452 112 M N -0.154 119.539 119.600 0.155 0.000 2.156 112 M HA -0.055 4.424 4.480 -0.002 0.000 0.264 112 M C 2.458 178.945 176.300 0.311 0.000 1.067 112 M CA 1.322 56.772 55.300 0.249 0.000 1.131 112 M CB -0.193 32.298 32.600 -0.183 0.000 1.368 112 M HN 0.081 nan 8.290 nan 0.000 0.416 113 A N 0.632 123.536 122.820 0.139 0.000 1.940 113 A HA -0.082 4.237 4.320 -0.002 0.000 0.219 113 A C 2.370 180.020 177.584 0.109 0.000 1.176 113 A CA 1.960 54.075 52.037 0.130 0.000 0.631 113 A CB -0.895 18.137 19.000 0.054 0.000 0.814 113 A HN 0.493 nan 8.150 nan 0.000 0.446 114 A N -1.407 121.457 122.820 0.074 0.000 1.877 114 A HA -0.141 4.178 4.320 -0.002 0.000 0.216 114 A C 1.970 179.534 177.584 -0.033 0.000 1.186 114 A CA 1.311 53.339 52.037 -0.015 0.000 0.620 114 A CB -0.941 18.001 19.000 -0.097 0.000 0.822 114 A HN 0.731 nan 8.150 nan 0.000 0.443 115 W N 0.058 121.419 121.300 0.102 0.000 2.318 115 W HA -0.213 4.446 4.660 -0.001 0.000 0.313 115 W C 2.089 178.640 176.519 0.054 0.000 1.221 115 W CA 1.562 58.990 57.345 0.138 0.000 1.266 115 W CB -0.212 29.354 29.460 0.177 0.000 1.150 115 W HN 0.467 nan 8.180 nan 0.000 0.496 116 D N -0.123 120.446 120.400 0.281 0.000 2.097 116 D HA -0.190 4.449 4.640 -0.002 0.000 0.195 116 D C 2.018 178.311 176.300 -0.013 0.000 0.989 116 D CA 1.395 55.445 54.000 0.083 0.000 0.827 116 D CB -0.485 40.371 40.800 0.093 0.000 0.966 116 D HN 0.020 nan 8.370 nan 0.000 0.456 117 L N 0.442 121.646 121.223 -0.032 0.000 2.017 117 L HA -0.071 4.268 4.340 -0.002 0.000 0.208 117 L C 2.212 178.962 176.870 -0.201 0.000 1.073 117 L CA 1.807 56.578 54.840 -0.116 0.000 0.745 117 L CB -0.929 41.057 42.059 -0.122 0.000 0.894 117 L HN 0.378 nan 8.230 nan 0.000 0.432 118 W N 0.477 121.453 121.300 -0.539 0.000 2.333 118 W HA -0.305 4.354 4.660 -0.002 0.000 0.316 118 W C 2.182 178.542 176.519 -0.266 0.000 1.215 118 W CA 1.841 58.811 57.345 -0.626 0.000 1.278 118 W CB -0.323 28.729 29.460 -0.681 0.000 1.154 118 W HN 0.362 nan 8.180 nan 0.000 0.486 119 A N 1.387 124.050 122.820 -0.262 0.000 1.917 119 A HA -0.268 4.051 4.320 -0.002 0.000 0.219 119 A C 1.986 179.397 177.584 -0.290 0.000 1.182 119 A CA 2.274 54.121 52.037 -0.317 0.000 0.633 119 A CB -1.031 17.891 19.000 -0.130 0.000 0.819 119 A HN 0.470 nan 8.150 nan 0.000 0.448 120 R N -0.752 119.625 120.500 -0.205 0.000 2.148 120 R HA -0.067 4.272 4.340 -0.002 0.000 0.223 120 R C 2.391 178.595 176.300 -0.160 0.000 1.088 120 R CA 1.562 57.566 56.100 -0.159 0.000 0.985 120 R CB -0.595 29.638 30.300 -0.112 0.000 0.880 120 R HN 0.794 nan 8.270 nan 0.000 0.451 121 T N -0.920 113.517 114.554 -0.195 0.000 2.833 121 T HA -0.062 4.287 4.350 -0.002 0.000 0.269 121 T C 1.753 176.328 174.700 -0.209 0.000 1.054 121 T CA 0.962 62.972 62.100 -0.151 0.000 1.135 121 T CB -0.091 68.731 68.868 -0.076 0.000 0.869 121 T HN 0.159 nan 8.240 nan 0.000 0.466 122 L N 0.197 121.212 121.223 -0.347 0.000 2.477 122 L HA 0.385 4.724 4.340 -0.002 0.000 0.220 122 L C 2.097 178.842 176.870 -0.208 0.000 1.106 122 L CA 0.426 55.068 54.840 -0.330 0.000 0.851 122 L CB -0.478 41.267 42.059 -0.522 0.000 0.994 122 L HN 0.583 nan 8.230 nan 0.000 0.462 123 G N 0.857 109.548 108.800 -0.182 0.000 2.147 123 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.244 123 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.244 123 G C -0.031 174.798 174.900 -0.120 0.000 1.005 123 G CA 0.093 45.118 45.100 -0.125 0.000 0.713 123 G HN 0.121 nan 8.290 nan 0.000 0.515 124 V N 0.710 120.530 119.914 -0.156 0.000 2.513 124 V HA 0.535 4.654 4.120 -0.002 0.000 0.299 124 V C -1.781 174.242 176.094 -0.118 0.000 1.035 124 V CA -2.012 60.213 62.300 -0.126 0.000 0.889 124 V CB 2.055 33.792 31.823 -0.143 0.000 0.988 124 V HN 0.067 nan 8.190 nan 0.000 0.440 125 P HA 0.024 nan 4.420 nan 0.000 0.267 125 P C 0.615 177.847 177.300 -0.112 0.000 1.200 125 P CA -0.097 62.964 63.100 -0.065 0.000 0.772 125 P CB 0.635 32.368 31.700 0.055 0.000 0.855 126 L N 4.273 125.326 121.223 -0.283 0.000 2.017 126 L HA -0.068 4.271 4.340 -0.002 0.000 0.208 126 L C 2.246 179.002 176.870 -0.189 0.000 1.073 126 L CA 2.627 57.288 54.840 -0.299 0.000 0.745 126 L CB -1.706 40.009 42.059 -0.573 0.000 0.894 126 L HN 0.514 nan 8.230 nan 0.000 0.432 127 G N -1.781 107.037 108.800 0.031 0.000 2.440 127 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.218 127 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.218 127 G C 1.425 176.301 174.900 -0.040 0.000 1.154 127 G CA 1.317 46.412 45.100 -0.007 0.000 0.767 127 G HN 0.454 nan 8.290 nan 0.000 0.552 128 T N 1.468 116.026 114.554 0.006 0.000 2.635 128 T HA -0.118 4.231 4.350 -0.002 0.000 0.267 128 T C 2.353 177.057 174.700 0.008 0.000 1.040 128 T CA 1.182 63.289 62.100 0.012 0.000 1.156 128 T CB -0.298 68.578 68.868 0.013 0.000 0.863 128 T HN 0.163 nan 8.240 nan 0.000 0.430 129 L N 0.230 121.453 121.223 -0.000 0.000 2.275 129 L HA 0.047 4.386 4.340 -0.002 0.000 0.215 129 L C 2.088 178.983 176.870 0.042 0.000 1.119 129 L CA 0.774 55.659 54.840 0.074 0.000 0.790 129 L CB -0.381 41.789 42.059 0.185 0.000 0.919 129 L HN 0.277 nan 8.230 nan 0.000 0.443 130 L N -1.104 120.050 121.223 -0.114 0.000 2.567 130 L HA 0.173 4.512 4.340 -0.002 0.000 0.225 130 L C 1.453 178.267 176.870 -0.094 0.000 1.119 130 L CA 0.649 55.370 54.840 -0.199 0.000 0.871 130 L CB -0.017 41.819 42.059 -0.372 0.000 1.036 130 L HN 0.438 nan 8.230 nan 0.000 0.459 131 G N -0.379 108.402 108.800 -0.031 0.000 2.184 131 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.206 131 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.206 131 G C 0.505 175.423 174.900 0.030 0.000 0.995 131 G CA -0.341 44.774 45.100 0.025 0.000 0.651 131 G HN 0.457 nan 8.290 nan 0.000 0.511 132 G N -0.390 108.388 108.800 -0.036 0.000 2.476 132 G HA2 0.614 4.573 3.960 -0.002 0.000 0.269 132 G HA3 0.614 4.573 3.960 -0.002 0.000 0.269 132 G C 0.082 174.970 174.900 -0.021 0.000 1.195 132 G CA 0.210 45.252 45.100 -0.096 0.000 0.843 132 G HN 1.294 nan 8.290 nan 0.000 0.545 133 H N -1.824 117.242 119.070 -0.006 0.000 2.904 133 H HA 0.366 4.921 4.556 -0.002 0.000 0.242 133 H C 0.091 175.412 175.328 -0.011 0.000 1.193 133 H CA -0.669 55.374 56.048 -0.009 0.000 0.946 133 H CB -0.081 29.682 29.762 0.002 0.000 2.135 133 H HN 0.273 nan 8.280 nan 0.000 0.652 134 K N 1.073 121.426 120.400 -0.078 0.000 2.174 134 K HA 0.160 4.479 4.320 -0.002 0.000 0.275 134 K C 0.064 176.635 176.600 -0.047 0.000 1.015 134 K CA -0.278 55.980 56.287 -0.049 0.000 0.933 134 K CB 1.550 34.003 32.500 -0.078 0.000 1.025 134 K HN 0.457 nan 8.250 nan 0.000 0.463 135 E N 1.398 121.580 120.200 -0.030 0.000 2.452 135 E HA -0.058 4.291 4.350 -0.002 0.000 0.197 135 E C -0.030 176.533 176.600 -0.061 0.000 1.022 135 E CA 0.278 56.652 56.400 -0.044 0.000 0.890 135 E CB 0.498 30.186 29.700 -0.020 0.000 0.918 135 E HN 0.494 nan 8.360 nan 0.000 0.496 136 Q N -0.013 119.754 119.800 -0.054 0.000 2.534 136 Q HA 0.530 4.869 4.340 -0.002 0.000 0.290 136 Q C -0.870 175.100 176.000 -0.049 0.000 0.991 136 Q CA -1.071 54.697 55.803 -0.058 0.000 0.783 136 Q CB 2.044 30.757 28.738 -0.041 0.000 1.470 136 Q HN -0.025 nan 8.270 nan 0.000 0.406 137 V N -2.537 117.349 119.914 -0.046 0.000 2.604 137 V HA 0.535 4.654 4.120 -0.002 0.000 0.305 137 V C -0.368 175.729 176.094 0.005 0.000 1.043 137 V CA -0.926 61.359 62.300 -0.026 0.000 0.888 137 V CB 1.714 33.501 31.823 -0.059 0.000 0.995 137 V HN 0.823 nan 8.190 nan 0.000 0.429 138 E N 2.349 122.568 120.200 0.031 0.000 2.392 138 E HA 0.438 4.787 4.350 -0.002 0.000 0.264 138 E C -0.243 176.402 176.600 0.074 0.000 1.024 138 E CA -0.223 56.204 56.400 0.044 0.000 0.903 138 E CB 1.833 31.564 29.700 0.052 0.000 0.963 138 E HN 0.931 nan 8.360 nan 0.000 0.432 139 V N -0.650 119.315 119.914 0.085 0.000 2.769 139 V HA 0.867 4.986 4.120 -0.002 0.000 0.312 139 V C 0.140 176.363 176.094 0.215 0.000 1.061 139 V CA -0.679 61.710 62.300 0.148 0.000 0.931 139 V CB 1.768 33.690 31.823 0.164 0.000 1.010 139 V HN 0.670 nan 8.190 nan 0.000 0.433 140 G N 0.958 109.853 108.800 0.158 0.000 2.644 140 G HA2 0.696 4.655 3.960 -0.002 0.000 0.307 140 G HA3 0.696 4.655 3.960 -0.002 0.000 0.307 140 G C -1.206 173.598 174.900 -0.159 0.000 1.250 140 G CA -0.742 44.385 45.100 0.046 0.000 0.996 140 G HN 1.270 nan 8.290 nan 0.000 0.489 141 V N -0.658 118.975 119.914 -0.468 0.000 2.815 141 V HA 0.766 4.885 4.120 -0.002 0.000 0.314 141 V C -0.402 175.443 176.094 -0.415 0.000 1.064 141 V CA -0.617 61.231 62.300 -0.753 0.000 0.952 141 V CB 2.340 33.232 31.823 -1.551 0.000 1.020 141 V HN 0.733 nan 8.190 nan 0.000 0.439 142 S N 5.999 121.507 115.700 -0.320 0.000 2.498 142 S HA 0.712 5.181 4.470 -0.002 0.000 0.317 142 S C -0.996 173.517 174.600 -0.145 0.000 1.090 142 S CA -0.387 57.717 58.200 -0.161 0.000 1.089 142 S CB 1.195 64.367 63.200 -0.048 0.000 0.997 142 S HN 0.492 nan 8.310 nan 0.000 0.470 143 L N 2.845 124.016 121.223 -0.086 0.000 2.307 143 L HA 0.602 4.941 4.340 -0.002 0.000 0.284 143 L C 1.072 177.955 176.870 0.022 0.000 1.023 143 L CA -0.089 54.736 54.840 -0.024 0.000 0.810 143 L CB 0.945 43.010 42.059 0.011 0.000 1.231 143 L HN 0.765 nan 8.230 nan 0.000 0.423 144 G N 2.746 111.565 108.800 0.032 0.000 2.684 144 G HA2 0.356 4.315 3.960 -0.002 0.000 0.255 144 G HA3 0.356 4.315 3.960 -0.002 0.000 0.255 144 G C 0.107 175.060 174.900 0.088 0.000 1.219 144 G CA -0.661 44.471 45.100 0.053 0.000 0.901 144 G HN 0.535 nan 8.290 nan 0.000 0.548 145 I N 1.118 121.750 120.570 0.104 0.000 2.598 145 I HA 0.021 4.190 4.170 -0.002 0.000 0.284 145 I C 0.493 176.653 176.117 0.071 0.000 1.140 145 I CA 0.140 61.530 61.300 0.149 0.000 1.420 145 I CB 0.657 38.727 38.000 0.116 0.000 1.387 145 I HN 0.315 nan 8.210 nan 0.000 0.553 146 Q N 4.615 124.485 119.800 0.117 0.000 2.252 146 Q HA 0.443 4.781 4.340 -0.002 0.000 0.256 146 Q C 0.820 176.743 176.000 -0.128 0.000 1.020 146 Q CA -0.547 55.275 55.803 0.032 0.000 0.913 146 Q CB 1.222 30.022 28.738 0.104 0.000 1.286 146 Q HN 0.741 nan 8.270 nan 0.000 0.480 147 A N 0.320 123.061 122.820 -0.132 0.000 1.969 147 A HA -0.085 4.234 4.320 -0.002 0.000 0.218 147 A C 0.113 177.502 177.584 -0.325 0.000 1.169 147 A CA 2.120 54.016 52.037 -0.236 0.000 0.635 147 A CB -0.178 18.742 19.000 -0.133 0.000 0.810 147 A HN 0.799 nan 8.150 nan 0.000 0.445 148 D N -5.174 115.165 120.400 -0.102 0.000 2.851 148 D HA 0.227 4.866 4.640 -0.002 0.000 0.339 148 D C 0.339 176.865 176.300 0.376 0.000 1.347 148 D CA 0.037 54.078 54.000 0.068 0.000 0.888 148 D CB 0.052 40.874 40.800 0.037 0.000 1.431 148 D HN -0.142 nan 8.370 nan 0.000 0.509 149 c N -0.819 118.011 118.600 0.384 0.000 2.476 149 c HA -0.032 4.537 4.570 -0.002 0.000 0.278 149 c C 2.458 176.631 174.090 0.139 0.000 1.274 149 c CA 0.853 57.330 56.329 0.247 0.000 1.713 149 c CB -1.089 41.513 42.510 0.154 0.000 2.039 149 c HN 0.501 nan 8.230 nan 0.000 0.484 150 Q N 0.560 120.422 119.800 0.105 0.000 2.112 150 Q HA -0.206 4.133 4.340 -0.002 0.000 0.206 150 Q C 2.394 178.436 176.000 0.069 0.000 0.987 150 Q CA 1.935 57.779 55.803 0.068 0.000 0.858 150 Q CB -0.339 28.426 28.738 0.045 0.000 0.905 150 Q HN 0.757 nan 8.270 nan 0.000 0.420 151 A N 0.424 123.290 122.820 0.076 0.000 1.930 151 A HA -0.136 4.183 4.320 -0.002 0.000 0.217 151 A C 2.234 179.866 177.584 0.081 0.000 1.175 151 A CA 1.652 53.726 52.037 0.061 0.000 0.627 151 A CB -0.674 18.352 19.000 0.044 0.000 0.815 151 A HN 0.304 nan 8.150 nan 0.000 0.443 152 T N -0.221 114.410 114.554 0.128 0.000 2.674 152 T HA -0.129 4.220 4.350 -0.002 0.000 0.265 152 T C 1.872 176.632 174.700 0.099 0.000 1.039 152 T CA 1.728 63.906 62.100 0.129 0.000 1.150 152 T CB -0.477 68.495 68.868 0.174 0.000 0.864 152 T HN 0.138 nan 8.240 nan 0.000 0.427 153 V N 1.748 121.728 119.914 0.111 0.000 2.490 153 V HA -0.170 3.949 4.120 -0.002 0.000 0.250 153 V C 2.307 178.495 176.094 0.156 0.000 1.061 153 V CA 1.984 64.379 62.300 0.158 0.000 1.064 153 V CB -0.661 31.239 31.823 0.129 0.000 0.670 153 V HN 0.545 nan 8.190 nan 0.000 0.461 154 D N -0.360 120.093 120.400 0.089 0.000 2.117 154 D HA -0.186 4.453 4.640 -0.002 0.000 0.198 154 D C 1.961 178.265 176.300 0.007 0.000 0.982 154 D CA 1.042 55.075 54.000 0.055 0.000 0.828 154 D CB -0.040 40.776 40.800 0.027 0.000 0.967 154 D HN 0.272 nan 8.370 nan 0.000 0.464 155 L N -0.116 121.102 121.223 -0.008 0.000 2.093 155 L HA -0.040 4.298 4.340 -0.002 0.000 0.208 155 L C 2.242 179.058 176.870 -0.092 0.000 1.085 155 L CA 1.031 55.821 54.840 -0.082 0.000 0.755 155 L CB -0.341 41.711 42.059 -0.013 0.000 0.904 155 L HN 0.039 nan 8.230 nan 0.000 0.435 156 V N -0.400 119.501 119.914 -0.020 0.000 2.343 156 V HA -0.316 3.803 4.120 -0.002 0.000 0.247 156 V C 2.722 178.672 176.094 -0.240 0.000 1.051 156 V CA 2.078 64.308 62.300 -0.117 0.000 1.036 156 V CB -0.711 31.014 31.823 -0.162 0.000 0.654 156 V HN 0.470 nan 8.190 nan 0.000 0.451 157 R N -0.064 120.400 120.500 -0.059 0.000 2.091 157 R HA -0.198 4.141 4.340 -0.002 0.000 0.238 157 R C 2.581 178.867 176.300 -0.023 0.000 1.136 157 R CA 1.829 57.977 56.100 0.080 0.000 0.959 157 R CB -0.311 30.161 30.300 0.288 0.000 0.856 157 R HN 0.441 nan 8.270 nan 0.000 0.437 158 R N -0.528 119.916 120.500 -0.093 0.000 2.083 158 R HA -0.179 4.160 4.340 -0.002 0.000 0.237 158 R C 1.819 178.048 176.300 -0.118 0.000 1.137 158 R CA 1.853 57.859 56.100 -0.156 0.000 0.951 158 R CB -0.319 29.796 30.300 -0.309 0.000 0.851 158 R HN 0.433 nan 8.270 nan 0.000 0.434 159 H N -0.347 118.722 119.070 -0.003 0.000 2.428 159 H HA -0.012 4.543 4.556 -0.002 0.000 0.296 159 H C 2.223 177.609 175.328 0.097 0.000 1.062 159 H CA 1.249 57.354 56.048 0.094 0.000 1.350 159 H CB -0.021 29.723 29.762 -0.029 0.000 1.403 159 H HN 0.065 nan 8.280 nan 0.000 0.533 160 V N 1.076 121.006 119.914 0.028 0.000 2.407 160 V HA -0.204 3.915 4.120 -0.002 0.000 0.248 160 V C 2.484 178.584 176.094 0.011 0.000 1.055 160 V CA 1.941 64.213 62.300 -0.047 0.000 1.049 160 V CB -0.279 31.390 31.823 -0.256 0.000 0.662 160 V HN 0.290 nan 8.190 nan 0.000 0.455 161 E N 0.415 120.627 120.200 0.019 0.000 2.150 161 E HA -0.202 4.147 4.350 -0.002 0.000 0.193 161 E C 2.146 178.751 176.600 0.008 0.000 0.985 161 E CA 1.161 57.574 56.400 0.020 0.000 0.814 161 E CB -0.187 29.525 29.700 0.020 0.000 0.752 161 E HN 0.695 nan 8.360 nan 0.000 0.466 162 Q N -1.230 118.587 119.800 0.028 0.000 2.472 162 Q HA 0.146 4.485 4.340 -0.002 0.000 0.208 162 Q C 0.918 176.832 176.000 -0.143 0.000 0.958 162 Q CA 0.556 56.343 55.803 -0.027 0.000 0.932 162 Q CB 0.536 29.302 28.738 0.048 0.000 1.007 162 Q HN 0.393 nan 8.270 nan 0.000 0.508 163 G N -0.010 108.737 108.800 -0.087 0.000 2.144 163 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.218 163 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.218 163 G C -0.333 174.488 174.900 -0.133 0.000 0.988 163 G CA -0.570 44.462 45.100 -0.114 0.000 0.659 163 G HN 0.300 nan 8.290 nan 0.000 0.522 164 Y N 0.502 120.788 120.300 -0.024 0.000 2.578 164 Y HA 0.332 4.881 4.550 -0.002 0.000 0.339 164 Y C 1.963 177.830 175.900 -0.055 0.000 1.231 164 Y CA 0.125 58.198 58.100 -0.044 0.000 1.461 164 Y CB 0.544 38.962 38.460 -0.070 0.000 1.323 164 Y HN 0.033 nan 8.280 nan 0.000 0.590 165 R N 1.902 122.469 120.500 0.113 0.000 2.362 165 R HA 0.179 4.518 4.340 -0.002 0.000 0.227 165 R C 0.097 176.395 176.300 -0.003 0.000 0.905 165 R CA 0.074 56.196 56.100 0.035 0.000 1.067 165 R CB 0.297 30.613 30.300 0.026 0.000 1.078 165 R HN 0.506 nan 8.270 nan 0.000 0.516 166 R N 1.086 121.577 120.500 -0.015 0.000 2.594 166 R HA 0.272 4.611 4.340 -0.002 0.000 0.265 166 R C -1.626 174.587 176.300 -0.146 0.000 1.070 166 R CA -0.525 55.510 56.100 -0.108 0.000 0.909 166 R CB 1.441 31.641 30.300 -0.166 0.000 1.243 166 R HN -0.138 nan 8.270 nan 0.000 0.455 167 I N 4.006 124.468 120.570 -0.180 0.000 2.339 167 I HA 0.358 4.527 4.170 -0.002 0.000 0.290 167 I C 0.231 176.221 176.117 -0.212 0.000 0.994 167 I CA -0.564 60.617 61.300 -0.198 0.000 1.191 167 I CB 1.399 39.292 38.000 -0.178 0.000 1.343 167 I HN 0.463 nan 8.210 nan 0.000 0.458 168 K N 7.749 128.028 120.400 -0.202 0.000 2.235 168 K HA 0.589 4.908 4.320 -0.002 0.000 0.266 168 K C -1.407 175.136 176.600 -0.095 0.000 0.980 168 K CA -0.544 55.648 56.287 -0.158 0.000 0.849 168 K CB 1.228 33.655 32.500 -0.122 0.000 1.098 168 K HN 0.549 nan 8.250 nan 0.000 0.445 169 L N 4.345 125.526 121.223 -0.069 0.000 2.282 169 L HA 0.383 4.722 4.340 -0.002 0.000 0.288 169 L C 0.168 177.057 176.870 0.031 0.000 1.033 169 L CA -0.847 53.982 54.840 -0.018 0.000 0.807 169 L CB 1.380 43.416 42.059 -0.037 0.000 1.209 169 L HN 0.606 nan 8.230 nan 0.000 0.423 170 K N 4.520 124.961 120.400 0.069 0.000 2.350 170 K HA 0.460 4.779 4.320 -0.002 0.000 0.279 170 K C -0.508 176.177 176.600 0.142 0.000 1.027 170 K CA -0.190 56.164 56.287 0.112 0.000 0.969 170 K CB 0.687 33.255 32.500 0.115 0.000 0.954 170 K HN 0.603 nan 8.250 nan 0.000 0.474 171 I N -0.079 120.590 120.570 0.166 0.000 3.206 171 I HA 0.628 4.797 4.170 -0.002 0.000 0.313 171 I C -1.367 174.900 176.117 0.250 0.000 1.103 171 I CA -1.139 60.281 61.300 0.200 0.000 0.985 171 I CB 2.210 40.294 38.000 0.141 0.000 1.240 171 I HN 0.673 nan 8.210 nan 0.000 0.464 172 K N 0.710 121.269 120.400 0.265 0.000 2.579 172 K HA 0.599 4.918 4.320 -0.002 0.000 0.284 172 K C -3.253 173.407 176.600 0.100 0.000 0.990 172 K CA -1.774 54.589 56.287 0.126 0.000 0.880 172 K CB 1.359 33.910 32.500 0.085 0.000 1.488 172 K HN 0.227 nan 8.250 nan 0.000 0.425 173 P HA -0.008 nan 4.420 nan 0.000 0.261 173 P C 0.596 177.946 177.300 0.085 0.000 1.183 173 P CA 1.832 64.895 63.100 -0.062 0.000 0.761 173 P CB 0.452 32.036 31.700 -0.194 0.000 0.785 174 G N 1.836 110.727 108.800 0.153 0.000 2.217 174 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.246 174 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.246 174 G C -0.291 174.813 174.900 0.339 0.000 0.990 174 G CA -0.215 44.998 45.100 0.189 0.000 0.627 174 G HN 0.603 nan 8.290 nan 0.000 0.522 175 W N 1.826 123.161 121.300 0.058 0.000 2.162 175 W HA 0.457 5.116 4.660 -0.001 0.000 0.292 175 W C -0.080 176.486 176.519 0.078 0.000 0.998 175 W CA 0.273 57.648 57.345 0.051 0.000 1.570 175 W CB 0.625 30.105 29.460 0.033 0.000 1.644 175 W HN 0.316 nan 8.180 nan 0.000 0.360 176 D N -0.514 119.792 120.400 -0.156 0.000 2.900 176 D HA -0.025 4.614 4.640 -0.002 0.000 0.175 176 D C 1.524 177.681 176.300 -0.238 0.000 1.476 176 D CA 0.287 54.204 54.000 -0.138 0.000 1.488 176 D CB 0.128 40.976 40.800 0.080 0.000 1.426 176 D HN -0.063 nan 8.370 nan 0.000 0.295 177 V N 0.943 120.769 119.914 -0.147 0.000 2.469 177 V HA -0.246 3.873 4.120 -0.002 0.000 0.251 177 V C 2.251 178.170 176.094 -0.292 0.000 1.064 177 V CA 2.218 64.433 62.300 -0.142 0.000 1.066 177 V CB -0.845 30.965 31.823 -0.022 0.000 0.667 177 V HN 0.164 nan 8.190 nan 0.000 0.461 178 Q N 0.224 119.780 119.800 -0.406 0.000 2.020 178 Q HA -0.066 4.273 4.340 -0.002 0.000 0.198 178 Q C 0.065 175.690 176.000 -0.624 0.000 0.974 178 Q CA 1.822 57.331 55.803 -0.490 0.000 0.829 178 Q CB -1.592 26.847 28.738 -0.499 0.000 0.894 178 Q HN 0.535 nan 8.270 nan 0.000 0.433 179 P HA -0.104 nan 4.420 nan 0.000 0.217 179 P C 1.215 178.291 177.300 -0.373 0.000 1.150 179 P CA 1.089 63.828 63.100 -0.603 0.000 0.832 179 P CB 0.081 31.374 31.700 -0.677 0.000 0.787 180 V N 0.890 120.566 119.914 -0.396 0.000 2.343 180 V HA -0.199 3.920 4.120 -0.002 0.000 0.247 180 V C 3.046 178.819 176.094 -0.536 0.000 1.051 180 V CA 1.972 64.061 62.300 -0.352 0.000 1.036 180 V CB -1.132 30.520 31.823 -0.286 0.000 0.654 180 V HN 0.085 nan 8.190 nan 0.000 0.451 181 R N -0.582 119.494 120.500 -0.707 0.000 2.062 181 R HA -0.175 4.163 4.340 -0.002 0.000 0.231 181 R C 2.404 178.449 176.300 -0.425 0.000 1.136 181 R CA 2.239 57.798 56.100 -0.902 0.000 0.948 181 R CB -0.713 29.217 30.300 -0.618 0.000 0.845 181 R HN 0.524 nan 8.270 nan 0.000 0.430 182 c N 0.189 118.620 118.600 -0.282 0.000 2.398 182 c HA -0.123 4.446 4.570 -0.002 0.000 0.276 182 c C 2.709 176.746 174.090 -0.088 0.000 1.222 182 c CA 1.533 57.775 56.329 -0.145 0.000 1.746 182 c CB -1.018 41.433 42.510 -0.098 0.000 2.039 182 c HN 0.626 nan 8.230 nan 0.000 0.470 183 T N 0.191 114.697 114.554 -0.081 0.000 2.737 183 T HA -0.175 4.174 4.350 -0.002 0.000 0.265 183 T C 1.984 176.742 174.700 0.097 0.000 1.038 183 T CA 1.707 63.844 62.100 0.061 0.000 1.144 183 T CB -0.317 68.558 68.868 0.012 0.000 0.866 183 T HN 0.421 nan 8.240 nan 0.000 0.434 184 R N 1.513 121.995 120.500 -0.030 0.000 2.115 184 R HA 0.002 4.341 4.340 -0.002 0.000 0.230 184 R C 2.113 178.425 176.300 0.020 0.000 1.111 184 R CA 1.429 57.543 56.100 0.023 0.000 0.976 184 R CB -0.432 29.877 30.300 0.015 0.000 0.870 184 R HN 0.501 nan 8.270 nan 0.000 0.445 185 E N -0.431 119.746 120.200 -0.038 0.000 2.077 185 E HA -0.142 4.207 4.350 -0.002 0.000 0.193 185 E C 1.838 178.367 176.600 -0.118 0.000 0.989 185 E CA 1.304 57.676 56.400 -0.048 0.000 0.800 185 E CB -0.174 29.493 29.700 -0.056 0.000 0.746 185 E HN 0.467 nan 8.360 nan 0.000 0.452 186 A N 0.594 123.303 122.820 -0.184 0.000 1.968 186 A HA -0.034 4.285 4.320 -0.002 0.000 0.217 186 A C 0.704 177.815 177.584 -0.790 0.000 1.169 186 A CA 0.737 52.481 52.037 -0.488 0.000 0.638 186 A CB -0.010 18.654 19.000 -0.559 0.000 0.812 186 A HN 0.151 nan 8.150 nan 0.000 0.446 187 F N -1.186 118.752 119.950 -0.020 0.000 2.660 187 F HA 0.354 4.882 4.527 0.001 0.000 0.352 187 F C -2.095 173.699 175.800 -0.010 0.000 1.257 187 F CA -1.866 56.125 58.000 -0.014 0.000 1.200 187 F CB 1.526 40.516 39.000 -0.017 0.000 1.473 187 F HN -0.000 nan 8.300 nan 0.000 0.561 188 P HA -0.114 nan 4.420 nan 0.000 0.219 188 P C 0.602 177.945 177.300 0.071 0.000 1.146 188 P CA 1.473 64.612 63.100 0.064 0.000 0.808 188 P CB 0.372 32.089 31.700 0.029 0.000 0.779 189 D N -1.373 119.079 120.400 0.087 0.000 2.479 189 D HA 0.108 4.747 4.640 -0.002 0.000 0.216 189 D C 1.189 177.519 176.300 0.051 0.000 1.110 189 D CA -0.083 53.953 54.000 0.060 0.000 0.841 189 D CB 0.343 41.174 40.800 0.052 0.000 1.040 189 D HN 0.261 nan 8.370 nan 0.000 0.505 190 I N -0.725 119.886 120.570 0.069 0.000 2.938 190 I HA 0.146 4.315 4.170 -0.002 0.000 0.285 190 I C 0.521 176.626 176.117 -0.021 0.000 1.182 190 I CA -0.561 60.748 61.300 0.015 0.000 1.388 190 I CB 0.857 38.842 38.000 -0.025 0.000 1.390 190 I HN -0.350 nan 8.210 nan 0.000 0.600 191 R N 4.116 124.584 120.500 -0.052 0.000 2.242 191 R HA 0.406 4.745 4.340 -0.002 0.000 0.334 191 R C -1.324 174.891 176.300 -0.142 0.000 1.071 191 R CA -0.554 55.491 56.100 -0.090 0.000 0.922 191 R CB 0.462 30.707 30.300 -0.090 0.000 1.023 191 R HN 0.660 nan 8.270 nan 0.000 0.458 192 L N 4.500 125.630 121.223 -0.155 0.000 2.341 192 L HA 0.523 4.862 4.340 -0.002 0.000 0.278 192 L C -0.668 176.031 176.870 -0.286 0.000 1.005 192 L CA -0.004 54.726 54.840 -0.182 0.000 0.818 192 L CB 2.087 44.081 42.059 -0.108 0.000 1.259 192 L HN 0.815 nan 8.230 nan 0.000 0.418 193 T N 1.798 116.142 114.554 -0.350 0.000 2.865 193 T HA 0.837 5.186 4.350 -0.002 0.000 0.294 193 T C -0.634 173.914 174.700 -0.254 0.000 1.119 193 T CA -0.336 61.471 62.100 -0.487 0.000 1.007 193 T CB 1.549 69.852 68.868 -0.941 0.000 1.225 193 T HN 0.856 nan 8.240 nan 0.000 0.515 194 V N -1.252 118.567 119.914 -0.158 0.000 2.876 194 V HA 0.795 4.914 4.120 -0.002 0.000 0.312 194 V C -1.490 174.662 176.094 0.098 0.000 1.085 194 V CA -0.890 61.397 62.300 -0.022 0.000 0.945 194 V CB 1.893 33.709 31.823 -0.012 0.000 1.017 194 V HN 1.020 nan 8.190 nan 0.000 0.428 195 D N 2.920 123.395 120.400 0.125 0.000 2.427 195 D HA 0.688 5.327 4.640 -0.002 0.000 0.226 195 D C 0.620 177.040 176.300 0.200 0.000 1.076 195 D CA 0.145 54.259 54.000 0.190 0.000 0.849 195 D CB 1.762 42.673 40.800 0.186 0.000 1.052 195 D HN 0.900 nan 8.370 nan 0.000 0.515 196 A N 4.158 127.119 122.820 0.234 0.000 2.238 196 A HA 0.053 4.372 4.320 -0.002 0.000 0.210 196 A C 1.181 178.959 177.584 0.324 0.000 1.179 196 A CA 0.259 52.490 52.037 0.325 0.000 0.827 196 A CB -0.430 18.740 19.000 0.283 0.000 0.856 196 A HN 0.681 nan 8.150 nan 0.000 0.488 197 N N -0.592 118.257 118.700 0.248 0.000 2.735 197 N HA -0.211 4.528 4.740 -0.002 0.000 0.248 197 N C 0.155 175.781 175.510 0.194 0.000 1.083 197 N CA 1.070 54.241 53.050 0.202 0.000 0.703 197 N CB -2.074 36.510 38.487 0.160 0.000 1.005 197 N HN 0.418 nan 8.380 nan 0.000 0.550 198 S N -3.016 112.829 115.700 0.240 0.000 3.477 198 S HA -0.250 4.219 4.470 -0.002 0.000 0.357 198 S C 0.993 175.693 174.600 0.166 0.000 1.083 198 S CA 1.117 59.456 58.200 0.232 0.000 1.042 198 S CB -1.686 61.657 63.200 0.238 0.000 0.911 198 S HN 0.955 nan 8.310 nan 0.000 0.490 199 A N -1.326 121.577 122.820 0.139 0.000 2.345 199 A HA 0.527 4.846 4.320 -0.002 0.000 0.225 199 A C 0.225 177.671 177.584 -0.231 0.000 1.243 199 A CA 0.227 52.220 52.037 -0.072 0.000 0.875 199 A CB 0.186 19.077 19.000 -0.181 0.000 0.929 199 A HN 0.545 nan 8.150 nan 0.000 0.502 200 Y N -0.874 119.459 120.300 0.055 0.000 2.621 200 Y HA 0.575 5.124 4.550 -0.002 0.000 0.334 200 Y C 0.867 176.769 175.900 0.003 0.000 1.074 200 Y CA -0.107 58.012 58.100 0.031 0.000 1.149 200 Y CB 1.773 40.252 38.460 0.032 0.000 1.302 200 Y HN 0.132 nan 8.280 nan 0.000 0.501 201 T N -2.785 111.876 114.554 0.177 0.000 2.831 201 T HA 0.393 4.742 4.350 -0.002 0.000 0.287 201 T C 0.399 175.129 174.700 0.051 0.000 1.070 201 T CA -0.858 61.284 62.100 0.070 0.000 1.010 201 T CB 0.742 69.636 68.868 0.044 0.000 1.264 201 T HN 0.575 nan 8.240 nan 0.000 0.532 202 L N 0.579 121.806 121.223 0.007 0.000 2.265 202 L HA 0.074 4.413 4.340 -0.002 0.000 0.215 202 L C 3.011 179.889 176.870 0.015 0.000 1.117 202 L CA 1.278 56.115 54.840 -0.004 0.000 0.782 202 L CB -0.736 41.310 42.059 -0.021 0.000 0.914 202 L HN 0.942 nan 8.230 nan 0.000 0.441 203 A N -0.663 122.174 122.820 0.029 0.000 2.178 203 A HA -0.179 4.140 4.320 -0.002 0.000 0.218 203 A C 1.565 179.182 177.584 0.054 0.000 1.157 203 A CA 1.434 53.492 52.037 0.035 0.000 0.689 203 A CB -0.327 18.694 19.000 0.034 0.000 0.787 203 A HN 0.368 nan 8.150 nan 0.000 0.465 204 D N -0.272 120.176 120.400 0.080 0.000 2.328 204 D HA 0.271 4.910 4.640 -0.002 0.000 0.221 204 D C 1.878 178.199 176.300 0.035 0.000 1.072 204 D CA 0.749 54.814 54.000 0.109 0.000 0.850 204 D CB 0.092 41.059 40.800 0.279 0.000 0.922 204 D HN 0.424 nan 8.370 nan 0.000 0.516 205 A N 1.213 124.040 122.820 0.011 0.000 1.892 205 A HA -0.154 4.165 4.320 -0.002 0.000 0.218 205 A C 2.363 179.939 177.584 -0.014 0.000 1.188 205 A CA 2.144 54.172 52.037 -0.015 0.000 0.631 205 A CB -1.102 17.891 19.000 -0.012 0.000 0.822 205 A HN 0.322 nan 8.150 nan 0.000 0.447 206 G N -0.924 107.876 108.800 0.001 0.000 2.422 206 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.218 206 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.218 206 G C 1.690 176.593 174.900 0.005 0.000 1.146 206 G CA 1.288 46.390 45.100 0.003 0.000 0.769 206 G HN 0.536 nan 8.290 nan 0.000 0.547 207 R N 0.365 120.875 120.500 0.016 0.000 2.075 207 R HA 0.152 4.491 4.340 -0.002 0.000 0.232 207 R C 2.481 178.771 176.300 -0.018 0.000 1.126 207 R CA 1.035 57.149 56.100 0.024 0.000 0.963 207 R CB -0.769 29.575 30.300 0.073 0.000 0.858 207 R HN 0.385 nan 8.270 nan 0.000 0.435 208 L N -0.046 121.135 121.223 -0.070 0.000 2.141 208 L HA -0.002 4.337 4.340 -0.002 0.000 0.209 208 L C 2.656 179.488 176.870 -0.063 0.000 1.094 208 L CA 1.365 56.131 54.840 -0.124 0.000 0.763 208 L CB -0.403 41.533 42.059 -0.205 0.000 0.908 208 L HN 0.215 nan 8.230 nan 0.000 0.437 209 R N 0.355 120.830 120.500 -0.041 0.000 2.120 209 R HA -0.182 4.157 4.340 -0.002 0.000 0.234 209 R C 2.165 178.448 176.300 -0.028 0.000 1.123 209 R CA 1.209 57.290 56.100 -0.032 0.000 0.975 209 R CB -0.070 30.215 30.300 -0.025 0.000 0.866 209 R HN 0.428 nan 8.270 nan 0.000 0.446 210 Q N 0.173 119.966 119.800 -0.012 0.000 2.368 210 Q HA -0.142 4.197 4.340 -0.002 0.000 0.210 210 Q C 1.891 177.917 176.000 0.042 0.000 0.982 210 Q CA 1.119 56.926 55.803 0.006 0.000 0.884 210 Q CB -0.014 28.745 28.738 0.035 0.000 0.933 210 Q HN 0.435 nan 8.270 nan 0.000 0.460 211 L N 0.285 121.533 121.223 0.042 0.000 2.291 211 L HA -0.145 4.194 4.340 -0.002 0.000 0.214 211 L C 1.419 178.315 176.870 0.043 0.000 1.120 211 L CA 0.375 55.277 54.840 0.104 0.000 0.799 211 L CB -0.265 41.814 42.059 0.032 0.000 0.925 211 L HN 0.132 nan 8.230 nan 0.000 0.446 212 D N 0.880 121.256 120.400 -0.039 0.000 2.133 212 D HA -0.240 4.399 4.640 -0.002 0.000 0.195 212 D C 1.946 178.162 176.300 -0.140 0.000 0.997 212 D CA 1.638 55.597 54.000 -0.069 0.000 0.840 212 D CB -0.094 40.666 40.800 -0.067 0.000 0.947 212 D HN 0.583 nan 8.370 nan 0.000 0.452 213 E N -0.381 119.643 120.200 -0.294 0.000 2.409 213 E HA -0.182 4.167 4.350 -0.002 0.000 0.198 213 E C 0.901 177.206 176.600 -0.490 0.000 1.024 213 E CA 0.749 56.887 56.400 -0.436 0.000 0.861 213 E CB -0.461 28.884 29.700 -0.591 0.000 0.788 213 E HN 0.446 nan 8.360 nan 0.000 0.521 214 Y N 1.227 121.504 120.300 -0.038 0.000 2.493 214 Y HA 0.124 4.671 4.550 -0.004 0.000 0.275 214 Y C -0.189 175.685 175.900 -0.043 0.000 1.183 214 Y CA -0.335 57.740 58.100 -0.041 0.000 1.258 214 Y CB 0.300 38.730 38.460 -0.051 0.000 1.108 214 Y HN -0.103 nan 8.280 nan 0.000 0.521 215 D N 0.779 121.197 120.400 0.030 0.000 2.689 215 D HA -0.209 4.430 4.640 -0.002 0.000 0.237 215 D C -0.399 175.900 176.300 -0.002 0.000 1.148 215 D CA 0.634 54.638 54.000 0.007 0.000 0.656 215 D CB -1.274 39.529 40.800 0.005 0.000 1.050 215 D HN 0.386 nan 8.370 nan 0.000 0.426 216 L N 0.194 121.412 121.223 -0.009 0.000 2.456 216 L HA 0.031 4.370 4.340 -0.002 0.000 0.272 216 L C 2.182 178.997 176.870 -0.091 0.000 1.189 216 L CA 0.032 54.830 54.840 -0.071 0.000 0.846 216 L CB 0.458 42.473 42.059 -0.073 0.000 1.111 216 L HN -0.042 nan 8.230 nan 0.000 0.475 217 T N 1.302 115.745 114.554 -0.185 0.000 2.833 217 T HA -0.080 4.269 4.350 -0.002 0.000 0.269 217 T C -0.439 174.258 174.700 -0.006 0.000 1.054 217 T CA 1.429 63.449 62.100 -0.133 0.000 1.135 217 T CB -0.181 68.562 68.868 -0.208 0.000 0.869 217 T HN 0.618 nan 8.240 nan 0.000 0.466 218 Y N -2.140 118.150 120.300 -0.017 0.000 2.687 218 Y HA 0.579 5.128 4.550 -0.001 0.000 0.338 218 Y C -1.986 173.925 175.900 0.017 0.000 1.189 218 Y CA -2.247 55.861 58.100 0.013 0.000 1.097 218 Y CB 0.397 38.886 38.460 0.048 0.000 1.342 218 Y HN -0.136 nan 8.280 nan 0.000 0.461 219 I N 2.264 122.994 120.570 0.266 0.000 2.362 219 I HA 0.309 4.478 4.170 -0.002 0.000 0.289 219 I C -0.330 175.961 176.117 0.290 0.000 0.994 219 I CA -0.668 60.752 61.300 0.200 0.000 1.158 219 I CB 1.750 39.799 38.000 0.082 0.000 1.315 219 I HN 0.662 nan 8.210 nan 0.000 0.451 220 E N 5.710 126.108 120.200 0.329 0.000 2.229 220 E HA 0.072 4.421 4.350 -0.002 0.000 0.283 220 E C -0.159 176.575 176.600 0.223 0.000 1.030 220 E CA -0.567 56.011 56.400 0.296 0.000 0.836 220 E CB 0.696 30.628 29.700 0.386 0.000 1.068 220 E HN 0.473 nan 8.360 nan 0.000 0.401 221 Q N 3.807 123.699 119.800 0.154 0.000 2.413 221 Q HA -0.178 4.161 4.340 -0.002 0.000 0.364 221 Q C -1.923 174.283 176.000 0.343 0.000 1.359 221 Q CA 0.522 56.428 55.803 0.172 0.000 1.097 221 Q CB -0.161 28.647 28.738 0.116 0.000 1.286 221 Q HN 0.482 nan 8.270 nan 0.000 0.358 222 P HA -0.146 nan 4.420 nan 0.000 0.218 222 P C 0.276 177.753 177.300 0.295 0.000 1.149 222 P CA 1.244 64.529 63.100 0.308 0.000 0.817 222 P CB 0.252 32.023 31.700 0.118 0.000 0.785 223 L N -1.495 119.845 121.223 0.194 0.000 2.793 223 L HA 0.616 4.955 4.340 -0.002 0.000 0.242 223 L C 0.858 177.835 176.870 0.179 0.000 1.315 223 L CA -1.610 53.218 54.840 -0.020 0.000 1.263 223 L CB -0.570 41.199 42.059 -0.484 0.000 2.076 223 L HN -0.262 nan 8.230 nan 0.000 0.575 224 A N 0.389 123.260 122.820 0.086 0.000 2.531 224 A HA -0.048 4.270 4.320 -0.002 0.000 0.236 224 A C 0.875 178.545 177.584 0.143 0.000 1.062 224 A CA -0.049 52.046 52.037 0.097 0.000 0.760 224 A CB -0.201 18.768 19.000 -0.051 0.000 0.995 224 A HN 0.872 nan 8.150 nan 0.000 0.501 225 W N 2.189 123.526 121.300 0.062 0.000 2.350 225 W HA -0.145 4.514 4.660 -0.002 0.000 0.289 225 W C -0.015 176.487 176.519 -0.028 0.000 1.215 225 W CA 1.436 58.780 57.345 -0.002 0.000 1.236 225 W CB -0.561 28.855 29.460 -0.073 0.000 1.130 225 W HN 0.746 nan 8.180 nan 0.000 0.541 226 D N 0.133 119.982 120.400 -0.917 0.000 2.424 226 D HA 0.062 4.701 4.640 -0.002 0.000 0.220 226 D C -0.757 175.286 176.300 -0.428 0.000 1.150 226 D CA -0.309 53.152 54.000 -0.898 0.000 0.831 226 D CB -0.658 39.149 40.800 -1.655 0.000 0.981 226 D HN 0.140 nan 8.370 nan 0.000 0.500 227 D N -0.222 120.049 120.400 -0.214 0.000 2.193 227 D HA 0.345 4.984 4.640 -0.002 0.000 0.249 227 D C 0.719 177.046 176.300 0.046 0.000 1.034 227 D CA -0.628 53.340 54.000 -0.053 0.000 0.902 227 D CB 1.537 42.361 40.800 0.039 0.000 1.182 227 D HN -0.060 nan 8.370 nan 0.000 0.436 228 L N 2.701 123.932 121.223 0.014 0.000 2.694 228 L HA 0.123 4.462 4.340 -0.002 0.000 0.228 228 L C 1.919 178.820 176.870 0.051 0.000 1.048 228 L CA -0.151 54.701 54.840 0.020 0.000 0.887 228 L CB 0.083 42.114 42.059 -0.046 0.000 1.265 228 L HN 0.376 nan 8.230 nan 0.000 0.492 229 V N 0.528 120.450 119.914 0.013 0.000 2.307 229 V HA -0.257 3.862 4.120 -0.002 0.000 0.245 229 V C 1.992 178.086 176.094 -0.001 0.000 1.045 229 V CA 2.089 64.389 62.300 -0.001 0.000 1.024 229 V CB -0.291 31.520 31.823 -0.020 0.000 0.651 229 V HN 0.398 nan 8.190 nan 0.000 0.449 230 D N -1.404 118.983 120.400 -0.021 0.000 2.144 230 D HA -0.147 4.492 4.640 -0.002 0.000 0.199 230 D C 2.082 178.329 176.300 -0.089 0.000 0.984 230 D CA 1.101 55.059 54.000 -0.070 0.000 0.834 230 D CB -0.344 40.385 40.800 -0.117 0.000 0.955 230 D HN 0.519 nan 8.370 nan 0.000 0.465 231 H N 0.680 119.736 119.070 -0.024 0.000 2.352 231 H HA -0.057 4.498 4.556 -0.002 0.000 0.299 231 H C 2.106 177.421 175.328 -0.020 0.000 1.097 231 H CA 1.408 57.445 56.048 -0.018 0.000 1.311 231 H CB -0.123 29.625 29.762 -0.023 0.000 1.377 231 H HN 0.100 nan 8.280 nan 0.000 0.504 232 A N 1.126 123.998 122.820 0.086 0.000 1.917 232 A HA -0.248 4.071 4.320 -0.002 0.000 0.219 232 A C 2.385 179.978 177.584 0.015 0.000 1.182 232 A CA 2.094 54.151 52.037 0.034 0.000 0.633 232 A CB -0.364 18.645 19.000 0.015 0.000 0.819 232 A HN 0.371 nan 8.150 nan 0.000 0.448 233 E N -0.272 119.929 120.200 0.001 0.000 2.072 233 E HA -0.150 4.199 4.350 -0.002 0.000 0.191 233 E C 1.790 178.383 176.600 -0.012 0.000 0.985 233 E CA 1.307 57.701 56.400 -0.010 0.000 0.801 233 E CB -0.472 29.215 29.700 -0.020 0.000 0.750 233 E HN 0.421 nan 8.360 nan 0.000 0.452 234 L N 0.299 121.509 121.223 -0.021 0.000 2.083 234 L HA 0.012 4.351 4.340 -0.002 0.000 0.209 234 L C 2.157 179.027 176.870 0.001 0.000 1.083 234 L CA 2.164 56.991 54.840 -0.021 0.000 0.752 234 L CB -0.915 41.116 42.059 -0.047 0.000 0.899 234 L HN 0.181 nan 8.230 nan 0.000 0.433 235 A N -0.609 122.222 122.820 0.019 0.000 2.019 235 A HA -0.182 4.137 4.320 -0.002 0.000 0.219 235 A C 2.378 179.968 177.584 0.011 0.000 1.164 235 A CA 1.512 53.562 52.037 0.022 0.000 0.644 235 A CB -0.541 18.478 19.000 0.030 0.000 0.805 235 A HN 0.527 nan 8.150 nan 0.000 0.449 236 R N -0.881 119.622 120.500 0.006 0.000 2.193 236 R HA 0.037 4.376 4.340 -0.002 0.000 0.213 236 R C 1.824 178.123 176.300 -0.002 0.000 1.055 236 R CA 0.962 57.063 56.100 0.002 0.000 0.995 236 R CB -0.075 30.226 30.300 0.001 0.000 0.893 236 R HN 0.476 nan 8.270 nan 0.000 0.459 237 R N 0.400 120.897 120.500 -0.005 0.000 2.290 237 R HA 0.217 4.556 4.340 -0.002 0.000 0.197 237 R C 0.806 177.099 176.300 -0.012 0.000 0.913 237 R CA 0.334 56.429 56.100 -0.009 0.000 1.040 237 R CB 0.325 30.618 30.300 -0.011 0.000 0.992 237 R HN 0.209 nan 8.270 nan 0.000 0.500 238 I N -3.494 117.070 120.570 -0.010 0.000 2.865 238 I HA 0.371 4.540 4.170 -0.002 0.000 0.302 238 I C 0.163 176.276 176.117 -0.006 0.000 1.140 238 I CA -1.160 60.132 61.300 -0.013 0.000 1.021 238 I CB 2.487 40.475 38.000 -0.020 0.000 1.233 238 I HN -0.235 nan 8.210 nan 0.000 0.427 239 R N 1.028 121.522 120.500 -0.010 0.000 2.254 239 R HA 0.170 4.509 4.340 -0.002 0.000 0.195 239 R C 0.125 176.427 176.300 0.003 0.000 0.957 239 R CA 0.235 56.332 56.100 -0.005 0.000 1.024 239 R CB 0.044 30.336 30.300 -0.014 0.000 0.952 239 R HN 0.672 nan 8.270 nan 0.000 0.484 240 T N 3.900 118.455 114.554 0.002 0.000 2.853 240 T HA 0.106 4.455 4.350 -0.002 0.000 0.298 240 T C -2.342 172.383 174.700 0.041 0.000 0.978 240 T CA -0.963 61.147 62.100 0.017 0.000 1.152 240 T CB 0.993 69.867 68.868 0.009 0.000 0.914 240 T HN -0.062 nan 8.240 nan 0.000 0.539 241 P HA 0.147 nan 4.420 nan 0.000 0.266 241 P C -0.450 176.923 177.300 0.122 0.000 1.195 241 P CA -0.169 62.984 63.100 0.088 0.000 0.768 241 P CB 0.404 32.172 31.700 0.114 0.000 0.838 242 L N 2.469 123.747 121.223 0.093 0.000 2.334 242 L HA 0.433 4.772 4.340 -0.002 0.000 0.277 242 L C 0.366 177.268 176.870 0.054 0.000 1.075 242 L CA -0.637 54.263 54.840 0.100 0.000 0.804 242 L CB 1.298 43.415 42.059 0.097 0.000 1.174 242 L HN 0.427 nan 8.230 nan 0.000 0.438 243 C N 4.972 124.303 119.300 0.052 0.000 2.322 243 C HA 0.561 5.020 4.460 -0.002 0.000 0.324 243 C C -0.094 174.842 174.990 -0.089 0.000 1.284 243 C CA -0.747 58.229 59.018 -0.069 0.000 1.606 243 C CB 0.339 27.958 27.740 -0.201 0.000 2.251 243 C HN 0.551 nan 8.230 nan 0.000 0.502 244 L N 5.659 126.786 121.223 -0.160 0.000 2.334 244 L HA 0.439 4.778 4.340 -0.002 0.000 0.277 244 L C 0.572 177.345 176.870 -0.163 0.000 1.075 244 L CA 0.699 55.421 54.840 -0.196 0.000 0.804 244 L CB 1.200 43.127 42.059 -0.219 0.000 1.174 244 L HN 0.850 nan 8.230 nan 0.000 0.438 245 D N 0.913 121.250 120.400 -0.106 0.000 3.051 245 D HA 0.001 4.640 4.640 -0.002 0.000 0.216 245 D C 1.234 177.530 176.300 -0.006 0.000 1.454 245 D CA 0.284 54.255 54.000 -0.050 0.000 1.400 245 D CB 0.395 41.224 40.800 0.049 0.000 0.975 245 D HN 0.441 nan 8.370 nan 0.000 0.212 246 E N 0.168 120.389 120.200 0.036 0.000 2.204 246 E HA -0.074 4.275 4.350 -0.002 0.000 0.195 246 E C 1.824 178.467 176.600 0.073 0.000 0.990 246 E CA 1.434 57.859 56.400 0.042 0.000 0.821 246 E CB -0.105 29.637 29.700 0.070 0.000 0.750 246 E HN 0.296 nan 8.360 nan 0.000 0.477 247 S N -0.588 115.109 115.700 -0.005 0.000 2.603 247 S HA 0.059 4.527 4.470 -0.002 0.000 0.220 247 S C 0.660 175.217 174.600 -0.071 0.000 0.967 247 S CA -0.245 57.916 58.200 -0.065 0.000 0.920 247 S CB 0.280 63.402 63.200 -0.129 0.000 0.773 247 S HN -0.052 nan 8.310 nan 0.000 0.529 248 V N 2.025 121.902 119.914 -0.063 0.000 2.275 248 V HA 0.697 4.816 4.120 -0.002 0.000 0.272 248 V C 0.609 176.684 176.094 -0.032 0.000 1.028 248 V CA -0.035 62.224 62.300 -0.068 0.000 0.810 248 V CB 0.296 32.055 31.823 -0.107 0.000 1.043 248 V HN 0.460 nan 8.190 nan 0.000 0.453 249 A N 3.601 126.414 122.820 -0.012 0.000 2.503 249 A HA 0.684 5.003 4.320 -0.002 0.000 0.263 249 A C 0.647 178.236 177.584 0.009 0.000 1.258 249 A CA 0.480 52.525 52.037 0.012 0.000 0.936 249 A CB 0.236 19.259 19.000 0.039 0.000 1.070 249 A HN 0.929 nan 8.150 nan 0.000 0.522 250 S N -3.227 112.470 115.700 -0.005 0.000 2.615 250 S HA 0.597 5.066 4.470 -0.002 0.000 0.268 250 S C 0.719 175.316 174.600 -0.005 0.000 1.146 250 S CA 0.101 58.303 58.200 0.003 0.000 0.818 250 S CB 0.821 64.026 63.200 0.009 0.000 1.111 250 S HN 1.057 nan 8.310 nan 0.000 0.465 251 A N 1.539 124.365 122.820 0.010 0.000 1.969 251 A HA 0.057 4.376 4.320 -0.002 0.000 0.218 251 A C 2.266 179.857 177.584 0.011 0.000 1.169 251 A CA 2.124 54.170 52.037 0.015 0.000 0.635 251 A CB -1.442 17.580 19.000 0.036 0.000 0.810 251 A HN 1.654 nan 8.150 nan 0.000 0.445 252 S N 0.020 115.727 115.700 0.011 0.000 2.428 252 S HA -0.137 4.332 4.470 -0.002 0.000 0.230 252 S C 1.306 175.897 174.600 -0.015 0.000 1.014 252 S CA 1.226 59.432 58.200 0.009 0.000 0.957 252 S CB -0.406 62.801 63.200 0.012 0.000 0.784 252 S HN 0.466 nan 8.310 nan 0.000 0.499 253 D N 2.553 122.937 120.400 -0.027 0.000 2.144 253 D HA 0.070 4.709 4.640 -0.002 0.000 0.199 253 D C 2.236 178.484 176.300 -0.085 0.000 0.984 253 D CA 1.446 55.414 54.000 -0.053 0.000 0.834 253 D CB -0.630 40.140 40.800 -0.050 0.000 0.955 253 D HN 0.551 nan 8.370 nan 0.000 0.465 254 A N 0.986 123.756 122.820 -0.084 0.000 1.873 254 A HA -0.163 4.156 4.320 -0.002 0.000 0.215 254 A C 2.179 179.645 177.584 -0.196 0.000 1.186 254 A CA 1.277 53.233 52.037 -0.136 0.000 0.616 254 A CB -0.366 18.573 19.000 -0.102 0.000 0.823 254 A HN 0.037 nan 8.150 nan 0.000 0.442 255 R N 0.493 120.935 120.500 -0.096 0.000 2.083 255 R HA -0.147 4.192 4.340 -0.002 0.000 0.237 255 R C 1.889 178.117 176.300 -0.120 0.000 1.137 255 R CA 2.164 58.233 56.100 -0.053 0.000 0.951 255 R CB -0.493 29.872 30.300 0.109 0.000 0.851 255 R HN 0.572 nan 8.270 nan 0.000 0.434 256 K N 0.007 120.362 120.400 -0.075 0.000 2.057 256 K HA -0.074 4.245 4.320 -0.002 0.000 0.207 256 K C 2.194 178.723 176.600 -0.119 0.000 1.049 256 K CA 1.494 57.741 56.287 -0.066 0.000 0.931 256 K CB -0.206 32.267 32.500 -0.045 0.000 0.714 256 K HN 0.248 nan 8.250 nan 0.000 0.440 257 A N 1.396 124.118 122.820 -0.164 0.000 1.877 257 A HA -0.148 4.171 4.320 -0.002 0.000 0.216 257 A C 2.134 179.573 177.584 -0.242 0.000 1.186 257 A CA 1.381 53.310 52.037 -0.179 0.000 0.620 257 A CB -0.650 18.237 19.000 -0.188 0.000 0.822 257 A HN 0.155 nan 8.150 nan 0.000 0.443 258 L N -1.063 119.897 121.223 -0.437 0.000 2.072 258 L HA -0.085 4.254 4.340 -0.002 0.000 0.205 258 L C 3.013 179.613 176.870 -0.449 0.000 1.079 258 L CA 0.923 55.383 54.840 -0.632 0.000 0.752 258 L CB -0.472 40.786 42.059 -1.335 0.000 0.906 258 L HN 0.411 nan 8.230 nan 0.000 0.436 259 A N -0.138 122.480 122.820 -0.336 0.000 2.014 259 A HA -0.066 4.253 4.320 -0.002 0.000 0.218 259 A C 2.183 179.777 177.584 0.017 0.000 1.163 259 A CA 1.034 53.106 52.037 0.058 0.000 0.652 259 A CB -0.510 18.608 19.000 0.196 0.000 0.808 259 A HN 0.364 nan 8.150 nan 0.000 0.449 260 L N -1.118 120.081 121.223 -0.040 0.000 2.478 260 L HA 0.088 4.426 4.340 -0.002 0.000 0.223 260 L C 1.675 178.534 176.870 -0.018 0.000 1.140 260 L CA 0.592 55.419 54.840 -0.021 0.000 0.842 260 L CB -0.340 41.701 42.059 -0.030 0.000 0.953 260 L HN 0.585 nan 8.230 nan 0.000 0.452 261 G N -0.290 108.488 108.800 -0.037 0.000 2.176 261 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.252 261 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.252 261 G C 0.981 175.869 174.900 -0.020 0.000 1.024 261 G CA 0.426 45.511 45.100 -0.024 0.000 0.755 261 G HN 0.445 nan 8.290 nan 0.000 0.507 262 A N -1.089 121.708 122.820 -0.039 0.000 2.015 262 A HA 0.552 4.871 4.320 -0.002 0.000 0.219 262 A C 1.747 179.320 177.584 -0.018 0.000 1.163 262 A CA 2.010 54.041 52.037 -0.011 0.000 0.646 262 A CB 0.088 19.063 19.000 -0.041 0.000 0.806 262 A HN 2.259 nan 8.150 nan 0.000 0.448 263 G N -4.218 104.547 108.800 -0.060 0.000 2.495 263 G HA2 0.452 4.411 3.960 -0.002 0.000 0.294 263 G HA3 0.452 4.411 3.960 -0.002 0.000 0.294 263 G C 0.158 175.019 174.900 -0.064 0.000 1.397 263 G CA 0.219 45.290 45.100 -0.049 0.000 0.790 263 G HN 0.702 nan 8.290 nan 0.000 0.486 264 G N -1.378 107.400 108.800 -0.037 0.000 3.228 264 G HA2 0.493 4.452 3.960 -0.002 0.000 0.245 264 G HA3 0.493 4.452 3.960 -0.002 0.000 0.245 264 G C -0.320 174.555 174.900 -0.041 0.000 1.051 264 G CA 0.403 45.484 45.100 -0.032 0.000 0.809 264 G HN 0.969 nan 8.290 nan 0.000 0.531 265 V N 0.860 120.732 119.914 -0.070 0.000 2.971 265 V HA 0.539 4.658 4.120 -0.002 0.000 0.309 265 V C -1.015 174.982 176.094 -0.163 0.000 1.130 265 V CA -0.833 61.410 62.300 -0.095 0.000 0.964 265 V CB 2.430 34.182 31.823 -0.117 0.000 1.029 265 V HN 0.089 nan 8.190 nan 0.000 0.427 266 I N 2.574 123.020 120.570 -0.206 0.000 2.418 266 I HA 0.374 4.543 4.170 -0.002 0.000 0.287 266 I C 0.031 175.829 176.117 -0.531 0.000 1.008 266 I CA -0.312 60.810 61.300 -0.296 0.000 1.104 266 I CB 1.678 39.522 38.000 -0.260 0.000 1.264 266 I HN 0.747 nan 8.210 nan 0.000 0.438 267 N N 6.586 124.892 118.700 -0.657 0.000 2.399 267 N HA 0.176 4.915 4.740 -0.002 0.000 0.259 267 N C -1.021 174.108 175.510 -0.635 0.000 1.160 267 N CA -0.601 51.762 53.050 -1.146 0.000 0.946 267 N CB 0.632 38.560 38.487 -0.931 0.000 1.156 267 N HN 0.347 nan 8.380 nan 0.000 0.489 268 L N 4.354 125.246 121.223 -0.552 0.000 2.255 268 L HA 0.373 4.712 4.340 -0.002 0.000 0.289 268 L C -0.804 175.988 176.870 -0.129 0.000 1.046 268 L CA -0.308 54.388 54.840 -0.240 0.000 0.816 268 L CB 0.581 42.542 42.059 -0.164 0.000 1.197 268 L HN 0.426 nan 8.230 nan 0.000 0.427 269 K N 4.543 124.884 120.400 -0.099 0.000 2.339 269 K HA 0.224 4.543 4.320 -0.002 0.000 0.264 269 K C 0.761 177.338 176.600 -0.039 0.000 0.986 269 K CA -0.446 55.803 56.287 -0.064 0.000 0.866 269 K CB 2.345 34.804 32.500 -0.069 0.000 1.103 269 K HN 0.528 nan 8.250 nan 0.000 0.441 270 V N 3.304 123.190 119.914 -0.046 0.000 2.324 270 V HA -0.323 3.796 4.120 -0.002 0.000 0.250 270 V C 1.868 177.893 176.094 -0.114 0.000 1.060 270 V CA 2.820 65.063 62.300 -0.095 0.000 1.042 270 V CB -0.193 31.515 31.823 -0.192 0.000 0.650 270 V HN 0.939 nan 8.190 nan 0.000 0.450 271 A N -0.172 122.586 122.820 -0.103 0.000 1.897 271 A HA -0.161 4.158 4.320 -0.002 0.000 0.215 271 A C 2.411 179.986 177.584 -0.016 0.000 1.181 271 A CA 1.593 53.584 52.037 -0.076 0.000 0.620 271 A CB -0.721 18.234 19.000 -0.076 0.000 0.821 271 A HN 0.579 nan 8.150 nan 0.000 0.443 272 R N 0.216 120.724 120.500 0.015 0.000 2.117 272 R HA -0.143 4.196 4.340 -0.002 0.000 0.243 272 R C 1.746 178.070 176.300 0.040 0.000 1.143 272 R CA 2.081 58.221 56.100 0.065 0.000 0.968 272 R CB -0.369 30.003 30.300 0.119 0.000 0.863 272 R HN 0.549 nan 8.270 nan 0.000 0.444 273 V N -3.160 116.761 119.914 0.012 0.000 3.649 273 V HA 0.367 4.486 4.120 -0.002 0.000 0.275 273 V C 0.872 176.974 176.094 0.013 0.000 1.281 273 V CA 0.768 63.075 62.300 0.011 0.000 1.143 273 V CB 0.300 32.124 31.823 0.002 0.000 0.892 273 V HN 0.467 nan 8.190 nan 0.000 0.441 274 G N -1.577 107.225 108.800 0.005 0.000 2.148 274 G HA2 0.312 4.271 3.960 -0.002 0.000 0.203 274 G HA3 0.312 4.271 3.960 -0.002 0.000 0.203 274 G C 1.020 175.916 174.900 -0.006 0.000 0.993 274 G CA -0.012 45.092 45.100 0.007 0.000 0.661 274 G HN 2.300 nan 8.290 nan 0.000 0.518 275 G N -1.666 107.104 108.800 -0.049 0.000 2.373 275 G HA2 0.166 4.125 3.960 -0.002 0.000 0.634 275 G HA3 0.166 4.125 3.960 -0.002 0.000 0.634 275 G C 0.264 175.108 174.900 -0.093 0.000 1.267 275 G CA 0.443 45.484 45.100 -0.098 0.000 1.008 275 G HN 0.592 nan 8.290 nan 0.000 0.497 276 H N -0.102 118.976 119.070 0.014 0.000 2.357 276 H HA 0.037 4.592 4.556 -0.002 0.000 0.301 276 H C 3.067 178.328 175.328 -0.112 0.000 1.082 276 H CA 2.475 58.418 56.048 -0.174 0.000 1.342 276 H CB -0.474 28.911 29.762 -0.627 0.000 1.389 276 H HN 0.740 nan 8.280 nan 0.000 0.511 277 A N 0.963 123.917 122.820 0.223 0.000 1.898 277 A HA -0.169 4.150 4.320 -0.002 0.000 0.216 277 A C 2.375 180.040 177.584 0.134 0.000 1.181 277 A CA 1.763 53.942 52.037 0.236 0.000 0.620 277 A CB -0.261 18.979 19.000 0.400 0.000 0.819 277 A HN 0.324 nan 8.150 nan 0.000 0.442 278 E N 0.120 120.386 120.200 0.111 0.000 2.150 278 E HA -0.082 4.267 4.350 -0.002 0.000 0.193 278 E C 2.159 178.794 176.600 0.059 0.000 0.985 278 E CA 1.406 57.850 56.400 0.072 0.000 0.814 278 E CB -0.252 29.479 29.700 0.052 0.000 0.752 278 E HN 0.471 nan 8.360 nan 0.000 0.466 279 S N -0.169 115.563 115.700 0.054 0.000 2.368 279 S HA -0.144 4.325 4.470 -0.002 0.000 0.225 279 S C 1.896 176.553 174.600 0.096 0.000 1.030 279 S CA 1.236 59.476 58.200 0.066 0.000 0.999 279 S CB -0.276 62.967 63.200 0.071 0.000 0.844 279 S HN 0.280 nan 8.310 nan 0.000 0.459 280 R N 1.021 121.561 120.500 0.066 0.000 2.096 280 R HA -0.028 4.311 4.340 -0.002 0.000 0.235 280 R C 2.384 178.745 176.300 0.102 0.000 1.127 280 R CA 1.200 57.321 56.100 0.034 0.000 0.968 280 R CB -0.078 30.203 30.300 -0.032 0.000 0.861 280 R HN 0.287 nan 8.270 nan 0.000 0.440 281 R N -0.333 120.221 120.500 0.090 0.000 2.073 281 R HA -0.096 4.242 4.340 -0.002 0.000 0.234 281 R C 2.300 178.651 176.300 0.084 0.000 1.134 281 R CA 1.673 57.827 56.100 0.089 0.000 0.952 281 R CB -0.398 29.946 30.300 0.074 0.000 0.850 281 R HN 0.091 nan 8.270 nan 0.000 0.433 282 V N 0.417 120.369 119.914 0.063 0.000 2.287 282 V HA -0.306 3.813 4.120 -0.002 0.000 0.248 282 V C 2.267 178.376 176.094 0.024 0.000 1.053 282 V CA 2.320 64.633 62.300 0.023 0.000 1.027 282 V CB -0.739 31.076 31.823 -0.014 0.000 0.646 282 V HN 0.472 nan 8.190 nan 0.000 0.447 283 H N 0.335 119.363 119.070 -0.070 0.000 2.319 283 H HA -0.199 4.356 4.556 -0.002 0.000 0.299 283 H C 2.020 177.318 175.328 -0.050 0.000 1.092 283 H CA 2.179 58.155 56.048 -0.120 0.000 1.302 283 H CB -0.025 29.683 29.762 -0.090 0.000 1.373 283 H HN 0.408 nan 8.280 nan 0.000 0.497 284 D N 0.040 120.581 120.400 0.234 0.000 2.149 284 D HA -0.111 4.528 4.640 -0.002 0.000 0.201 284 D C 2.483 178.831 176.300 0.080 0.000 0.972 284 D CA 1.030 55.127 54.000 0.162 0.000 0.835 284 D CB -0.308 40.598 40.800 0.177 0.000 0.966 284 D HN 0.303 nan 8.370 nan 0.000 0.476 285 V N 1.720 121.689 119.914 0.091 0.000 2.255 285 V HA -0.279 3.840 4.120 -0.002 0.000 0.247 285 V C 2.587 178.803 176.094 0.202 0.000 1.051 285 V CA 1.965 64.352 62.300 0.144 0.000 1.018 285 V CB -0.886 31.012 31.823 0.125 0.000 0.641 285 V HN 0.189 nan 8.190 nan 0.000 0.445 286 A N -0.879 121.975 122.820 0.056 0.000 1.873 286 A HA -0.381 3.938 4.320 -0.002 0.000 0.218 286 A C 2.250 179.851 177.584 0.028 0.000 1.193 286 A CA 2.549 54.585 52.037 -0.002 0.000 0.629 286 A CB -0.747 18.167 19.000 -0.144 0.000 0.826 286 A HN 0.623 nan 8.150 nan 0.000 0.447 287 Q N 0.074 119.830 119.800 -0.074 0.000 2.112 287 Q HA -0.221 4.118 4.340 -0.002 0.000 0.206 287 Q C 2.235 178.241 176.000 0.010 0.000 0.987 287 Q CA 2.566 58.325 55.803 -0.074 0.000 0.858 287 Q CB -0.246 28.412 28.738 -0.133 0.000 0.905 287 Q HN 0.820 nan 8.270 nan 0.000 0.420 288 S N -0.985 114.738 115.700 0.038 0.000 2.447 288 S HA -0.104 4.365 4.470 -0.002 0.000 0.233 288 S C 1.346 175.895 174.600 -0.086 0.000 1.006 288 S CA 0.712 58.898 58.200 -0.023 0.000 0.957 288 S CB -0.373 62.797 63.200 -0.051 0.000 0.773 288 S HN 0.430 nan 8.310 nan 0.000 0.507 289 F N 2.014 121.941 119.950 -0.039 0.000 2.797 289 F HA 0.365 4.890 4.527 -0.002 0.000 0.302 289 F C 1.942 177.721 175.800 -0.035 0.000 1.130 289 F CA 0.196 58.176 58.000 -0.034 0.000 1.387 289 F CB -0.223 38.754 39.000 -0.039 0.000 1.107 289 F HN 0.396 nan 8.300 nan 0.000 0.577 290 G N 0.874 109.736 108.800 0.104 0.000 2.179 290 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.257 290 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.257 290 G C 0.120 175.048 174.900 0.046 0.000 1.010 290 G CA 0.085 45.216 45.100 0.052 0.000 0.736 290 G HN 0.652 nan 8.290 nan 0.000 0.513 291 A N 0.525 123.371 122.820 0.044 0.000 2.305 291 A HA 0.885 5.204 4.320 -0.002 0.000 0.322 291 A C -1.678 175.870 177.584 -0.060 0.000 1.187 291 A CA -1.474 50.560 52.037 -0.005 0.000 0.825 291 A CB 1.751 20.732 19.000 -0.031 0.000 1.164 291 A HN 0.194 nan 8.150 nan 0.000 0.498 292 P HA 0.405 nan 4.420 nan 0.000 0.277 292 P C -0.289 176.941 177.300 -0.118 0.000 1.240 292 P CA -0.131 62.928 63.100 -0.069 0.000 0.798 292 P CB 1.379 33.090 31.700 0.018 0.000 0.979 293 V N -0.538 119.242 119.914 -0.224 0.000 3.019 293 V HA 0.836 4.955 4.120 -0.002 0.000 0.317 293 V C -0.763 175.263 176.094 -0.112 0.000 1.094 293 V CA -0.840 61.273 62.300 -0.313 0.000 1.000 293 V CB 2.190 33.648 31.823 -0.608 0.000 1.060 293 V HN 0.787 nan 8.190 nan 0.000 0.443 294 W N 0.458 121.667 121.300 -0.151 0.000 3.031 294 W HA 0.661 5.321 4.660 -0.001 0.000 0.337 294 W C -1.225 175.466 176.519 0.287 0.000 1.187 294 W CA -1.449 55.980 57.345 0.139 0.000 1.166 294 W CB 1.135 30.662 29.460 0.111 0.000 1.437 294 W HN 0.865 nan 8.180 nan 0.000 0.551 295 C N 3.043 122.725 119.300 0.637 0.000 2.373 295 C HA 0.663 5.122 4.460 -0.002 0.000 0.354 295 C C 1.110 176.217 174.990 0.195 0.000 1.249 295 C CA 0.553 59.788 59.018 0.360 0.000 1.784 295 C CB -0.952 26.911 27.740 0.205 0.000 2.408 295 C HN 0.784 nan 8.230 nan 0.000 0.542 296 G N 4.110 112.834 108.800 -0.127 0.000 2.528 296 G HA2 0.613 4.572 3.960 -0.002 0.000 0.289 296 G HA3 0.613 4.572 3.960 -0.002 0.000 0.289 296 G C 0.012 174.906 174.900 -0.009 0.000 1.192 296 G CA 0.060 45.087 45.100 -0.121 0.000 0.921 296 G HN 1.165 nan 8.290 nan 0.000 0.512 297 G N -0.972 107.831 108.800 0.006 0.000 2.537 297 G HA2 0.513 4.472 3.960 -0.002 0.000 0.308 297 G HA3 0.513 4.472 3.960 -0.002 0.000 0.308 297 G C -0.228 174.595 174.900 -0.127 0.000 1.237 297 G CA -0.649 44.423 45.100 -0.047 0.000 0.968 297 G HN 0.392 nan 8.290 nan 0.000 0.481 298 M N 1.772 121.281 119.600 -0.152 0.000 3.320 298 M HA 0.228 4.707 4.480 -0.002 0.000 0.414 298 M C 0.158 176.372 176.300 -0.143 0.000 1.553 298 M CA -0.482 54.706 55.300 -0.185 0.000 0.742 298 M CB 0.176 32.656 32.600 -0.200 0.000 1.434 298 M HN 0.518 nan 8.290 nan 0.000 0.505 299 L N 1.480 122.576 121.223 -0.212 0.000 3.634 299 L HA -0.242 4.097 4.340 -0.002 0.000 0.423 299 L C -0.292 176.558 176.870 -0.033 0.000 1.253 299 L CA 0.807 55.480 54.840 -0.278 0.000 0.885 299 L CB -1.013 40.956 42.059 -0.149 0.000 1.789 299 L HN 0.394 nan 8.230 nan 0.000 0.904 300 E N -0.362 119.822 120.200 -0.027 0.000 2.373 300 E HA 0.510 4.858 4.350 -0.002 0.000 0.263 300 E C 0.815 177.607 176.600 0.321 0.000 1.073 300 E CA 0.519 56.990 56.400 0.119 0.000 0.894 300 E CB 0.676 30.402 29.700 0.044 0.000 1.008 300 E HN 0.489 nan 8.360 nan 0.000 0.420 301 S N 0.806 116.610 115.700 0.173 0.000 2.617 301 S HA 0.163 4.632 4.470 -0.002 0.000 0.255 301 S C 1.481 176.110 174.600 0.049 0.000 1.318 301 S CA -0.273 57.890 58.200 -0.061 0.000 0.978 301 S CB 0.853 63.867 63.200 -0.309 0.000 0.961 301 S HN 0.620 nan 8.310 nan 0.000 0.582 302 G N 0.054 108.853 108.800 -0.001 0.000 2.479 302 G HA2 -0.096 3.863 3.960 -0.002 0.000 0.220 302 G HA3 -0.096 3.863 3.960 -0.002 0.000 0.220 302 G C 1.206 176.147 174.900 0.068 0.000 1.115 302 G CA 0.727 45.863 45.100 0.060 0.000 0.757 302 G HN 0.602 nan 8.290 nan 0.000 0.560 303 I N 1.721 122.324 120.570 0.057 0.000 2.133 303 I HA -0.075 4.094 4.170 -0.002 0.000 0.238 303 I C 3.057 179.298 176.117 0.207 0.000 1.074 303 I CA 1.532 62.901 61.300 0.116 0.000 1.342 303 I CB -1.610 36.445 38.000 0.092 0.000 1.053 303 I HN 0.220 nan 8.210 nan 0.000 0.404 304 G N 0.421 109.299 108.800 0.131 0.000 2.421 304 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.216 304 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.216 304 G C 1.926 176.902 174.900 0.128 0.000 1.171 304 G CA 0.840 46.006 45.100 0.111 0.000 0.775 304 G HN 0.288 nan 8.290 nan 0.000 0.543 305 R N 0.445 121.008 120.500 0.104 0.000 2.103 305 R HA -0.069 4.270 4.340 -0.002 0.000 0.242 305 R C 2.883 179.244 176.300 0.102 0.000 1.142 305 R CA 1.642 57.797 56.100 0.091 0.000 0.960 305 R CB -0.362 29.999 30.300 0.101 0.000 0.858 305 R HN 0.321 nan 8.270 nan 0.000 0.439 306 A N 0.037 122.927 122.820 0.118 0.000 1.898 306 A HA -0.171 4.148 4.320 -0.002 0.000 0.216 306 A C 1.906 179.593 177.584 0.172 0.000 1.181 306 A CA 1.369 53.479 52.037 0.122 0.000 0.620 306 A CB -0.792 18.258 19.000 0.082 0.000 0.819 306 A HN 0.443 nan 8.150 nan 0.000 0.442 307 H N -0.060 119.089 119.070 0.132 0.000 2.352 307 H HA -0.112 4.443 4.556 -0.002 0.000 0.299 307 H C 1.887 177.318 175.328 0.171 0.000 1.097 307 H CA 1.758 57.915 56.048 0.182 0.000 1.311 307 H CB -0.059 29.811 29.762 0.180 0.000 1.377 307 H HN 0.430 nan 8.280 nan 0.000 0.504 308 N N 0.770 119.592 118.700 0.203 0.000 2.084 308 N HA -0.097 4.641 4.740 -0.002 0.000 0.190 308 N C 2.207 177.706 175.510 -0.019 0.000 1.030 308 N CA 0.664 53.758 53.050 0.072 0.000 0.849 308 N CB -0.409 38.103 38.487 0.042 0.000 1.012 308 N HN 0.339 nan 8.380 nan 0.000 0.423 309 I N 0.529 121.095 120.570 -0.006 0.000 2.226 309 I HA -0.272 3.897 4.170 -0.002 0.000 0.245 309 I C 2.110 178.112 176.117 -0.191 0.000 1.100 309 I CA 1.085 62.322 61.300 -0.104 0.000 1.374 309 I CB -0.308 37.632 38.000 -0.100 0.000 1.057 309 I HN 0.292 nan 8.210 nan 0.000 0.413 310 H N -0.020 118.975 119.070 -0.124 0.000 2.357 310 H HA -0.153 4.402 4.556 -0.002 0.000 0.301 310 H C 2.181 177.373 175.328 -0.226 0.000 1.082 310 H CA 1.562 57.505 56.048 -0.175 0.000 1.342 310 H CB -0.070 29.567 29.762 -0.209 0.000 1.389 310 H HN 0.232 nan 8.280 nan 0.000 0.511 311 L N 0.913 122.088 121.223 -0.081 0.000 2.046 311 L HA -0.106 4.233 4.340 -0.002 0.000 0.208 311 L C 2.131 178.678 176.870 -0.540 0.000 1.077 311 L CA 1.389 56.127 54.840 -0.170 0.000 0.747 311 L CB -0.503 41.563 42.059 0.011 0.000 0.896 311 L HN -0.051 nan 8.230 nan 0.000 0.432 312 S N -1.057 114.212 115.700 -0.718 0.000 2.537 312 S HA -0.125 4.344 4.470 -0.002 0.000 0.240 312 S C 1.682 175.973 174.600 -0.515 0.000 0.981 312 S CA 1.133 58.691 58.200 -1.070 0.000 0.948 312 S CB -0.823 62.039 63.200 -0.564 0.000 0.759 312 S HN 0.798 nan 8.310 nan 0.000 0.531 313 T N -0.494 113.871 114.554 -0.315 0.000 3.118 313 T HA 0.183 4.531 4.350 -0.002 0.000 0.260 313 T C 0.471 175.106 174.700 -0.109 0.000 1.139 313 T CA -0.046 61.948 62.100 -0.177 0.000 1.085 313 T CB -0.356 68.412 68.868 -0.167 0.000 0.934 313 T HN -0.000 nan 8.240 nan 0.000 0.518 314 L N 3.052 124.252 121.223 -0.039 0.000 2.439 314 L HA 0.275 4.614 4.340 -0.002 0.000 0.269 314 L C 1.875 178.935 176.870 0.316 0.000 1.179 314 L CA 0.287 55.174 54.840 0.077 0.000 0.828 314 L CB 0.896 42.900 42.059 -0.092 0.000 1.106 314 L HN 0.333 nan 8.230 nan 0.000 0.467 315 S N 0.568 116.423 115.700 0.258 0.000 2.423 315 S HA -0.131 4.338 4.470 -0.002 0.000 0.231 315 S C 1.258 175.986 174.600 0.213 0.000 1.014 315 S CA 1.038 59.346 58.200 0.180 0.000 0.965 315 S CB -0.468 62.791 63.200 0.098 0.000 0.785 315 S HN 0.765 nan 8.310 nan 0.000 0.495 316 N N -0.176 118.684 118.700 0.266 0.000 2.383 316 N HA 0.106 4.845 4.740 -0.002 0.000 0.192 316 N C -1.000 174.437 175.510 -0.121 0.000 1.141 316 N CA -0.211 52.743 53.050 -0.160 0.000 0.851 316 N CB -0.017 38.038 38.487 -0.720 0.000 0.976 316 N HN 0.334 nan 8.380 nan 0.000 0.465 317 F N 1.210 121.237 119.950 0.128 0.000 2.652 317 F HA 0.235 4.761 4.527 -0.002 0.000 0.352 317 F C 1.383 177.245 175.800 0.104 0.000 1.259 317 F CA -0.146 57.932 58.000 0.130 0.000 1.249 317 F CB 0.336 39.420 39.000 0.140 0.000 1.628 317 F HN -0.116 nan 8.300 nan 0.000 0.654 318 R N 1.139 121.743 120.500 0.173 0.000 2.334 318 R HA 0.293 4.632 4.340 -0.002 0.000 0.216 318 R C -0.136 176.245 176.300 0.136 0.000 0.905 318 R CA 0.167 56.344 56.100 0.129 0.000 1.064 318 R CB 0.413 30.753 30.300 0.067 0.000 1.046 318 R HN 0.395 nan 8.270 nan 0.000 0.508 319 L N 0.685 122.025 121.223 0.194 0.000 2.341 319 L HA 0.501 4.839 4.340 -0.002 0.000 0.267 319 L C -2.404 174.585 176.870 0.199 0.000 1.009 319 L CA -2.637 52.296 54.840 0.156 0.000 0.819 319 L CB 1.966 44.106 42.059 0.135 0.000 1.323 319 L HN -0.255 nan 8.230 nan 0.000 0.425 320 P HA 0.175 nan 4.420 nan 0.000 0.272 320 P C -0.491 176.925 177.300 0.193 0.000 1.223 320 P CA -0.193 62.977 63.100 0.116 0.000 0.784 320 P CB 0.728 32.456 31.700 0.045 0.000 0.923 321 G N 0.374 109.324 108.800 0.251 0.000 2.489 321 G HA2 0.309 4.268 3.960 -0.002 0.000 0.327 321 G HA3 0.309 4.268 3.960 -0.002 0.000 0.327 321 G C -0.834 174.227 174.900 0.268 0.000 1.189 321 G CA -0.504 44.819 45.100 0.371 0.000 0.962 321 G HN 0.309 nan 8.290 nan 0.000 0.486 322 D N 1.317 121.905 120.400 0.313 0.000 2.845 322 D HA 0.175 4.814 4.640 -0.002 0.000 0.235 322 D C 0.771 177.153 176.300 0.137 0.000 1.158 322 D CA 0.161 54.285 54.000 0.206 0.000 0.990 322 D CB 0.265 41.195 40.800 0.217 0.000 1.094 322 D HN 0.385 nan 8.370 nan 0.000 0.486 323 T N -2.275 112.360 114.554 0.135 0.000 3.438 323 T HA 0.286 4.635 4.350 -0.002 0.000 0.244 323 T C 0.597 175.381 174.700 0.140 0.000 1.269 323 T CA -0.774 61.388 62.100 0.103 0.000 1.371 323 T CB 0.053 68.959 68.868 0.063 0.000 1.002 323 T HN 0.038 nan 8.240 nan 0.000 0.637 324 S N 1.044 116.867 115.700 0.206 0.000 2.661 324 S HA 0.562 5.031 4.470 -0.002 0.000 0.265 324 S C 0.388 175.144 174.600 0.261 0.000 1.225 324 S CA -0.681 57.673 58.200 0.257 0.000 0.986 324 S CB 0.481 63.869 63.200 0.313 0.000 1.008 324 S HN 0.440 nan 8.310 nan 0.000 0.565 325 S N 0.884 116.708 115.700 0.207 0.000 2.563 325 S HA 0.261 4.729 4.470 -0.002 0.000 0.294 325 S C 1.557 176.312 174.600 0.258 0.000 1.279 325 S CA -0.069 58.232 58.200 0.168 0.000 1.069 325 S CB 0.294 63.550 63.200 0.094 0.000 0.828 325 S HN 0.967 nan 8.310 nan 0.000 0.497 326 A N 3.549 126.527 122.820 0.264 0.000 1.978 326 A HA -0.125 4.194 4.320 -0.002 0.000 0.220 326 A C 2.302 180.076 177.584 0.317 0.000 1.170 326 A CA 1.778 54.046 52.037 0.386 0.000 0.636 326 A CB -0.929 18.280 19.000 0.348 0.000 0.810 326 A HN 0.935 nan 8.150 nan 0.000 0.448 327 S N -0.127 115.673 115.700 0.166 0.000 2.474 327 S HA -0.146 4.323 4.470 -0.002 0.000 0.235 327 S C 1.754 176.336 174.600 -0.030 0.000 0.997 327 S CA 0.986 59.237 58.200 0.086 0.000 0.949 327 S CB -0.465 62.764 63.200 0.049 0.000 0.766 327 S HN 0.658 nan 8.310 nan 0.000 0.517 328 R N -0.556 119.861 120.500 -0.139 0.000 2.237 328 R HA 0.049 4.388 4.340 -0.002 0.000 0.219 328 R C 1.099 176.963 176.300 -0.727 0.000 1.080 328 R CA 1.342 57.172 56.100 -0.449 0.000 0.995 328 R CB -0.264 29.657 30.300 -0.633 0.000 0.875 328 R HN 0.610 nan 8.270 nan 0.000 0.462 329 Y N -2.374 117.742 120.300 -0.305 0.000 2.638 329 Y HA 0.154 4.703 4.550 -0.002 0.000 0.275 329 Y C 0.300 175.760 175.900 -0.732 0.000 1.122 329 Y CA -0.470 57.207 58.100 -0.704 0.000 1.266 329 Y CB 0.525 38.284 38.460 -1.168 0.000 1.317 329 Y HN -0.064 nan 8.280 nan 0.000 0.501 330 W N 0.285 121.673 121.300 0.148 0.000 2.656 330 W HA 0.437 5.096 4.660 -0.001 0.000 0.327 330 W C 0.847 177.389 176.519 0.037 0.000 1.041 330 W CA -0.770 56.631 57.345 0.093 0.000 1.229 330 W CB 1.431 30.957 29.460 0.110 0.000 1.397 330 W HN -0.272 nan 8.180 nan 0.000 0.479 331 E N 1.491 121.841 120.200 0.251 0.000 2.085 331 E HA -0.135 4.214 4.350 -0.002 0.000 0.194 331 E C 0.284 176.939 176.600 0.092 0.000 0.994 331 E CA 1.389 57.865 56.400 0.126 0.000 0.801 331 E CB 0.202 29.957 29.700 0.091 0.000 0.743 331 E HN 0.354 nan 8.360 nan 0.000 0.453 332 R N -0.150 120.416 120.500 0.109 0.000 2.584 332 R HA 0.214 4.553 4.340 -0.002 0.000 0.276 332 R C -1.590 174.686 176.300 -0.040 0.000 1.046 332 R CA -0.668 55.378 56.100 -0.089 0.000 0.906 332 R CB 1.210 31.243 30.300 -0.445 0.000 1.215 332 R HN -0.062 nan 8.270 nan 0.000 0.449 333 D N 2.784 123.140 120.400 -0.074 0.000 2.340 333 D HA 0.173 4.812 4.640 -0.002 0.000 0.251 333 D C 0.784 177.078 176.300 -0.010 0.000 1.080 333 D CA -0.515 53.435 54.000 -0.084 0.000 0.971 333 D CB 1.498 42.295 40.800 -0.005 0.000 1.137 333 D HN 0.438 nan 8.370 nan 0.000 0.475 334 L N 0.590 121.806 121.223 -0.013 0.000 2.591 334 L HA 0.294 4.633 4.340 -0.002 0.000 0.228 334 L C 0.741 177.653 176.870 0.069 0.000 1.133 334 L CA 0.052 54.966 54.840 0.123 0.000 0.880 334 L CB -1.325 40.741 42.059 0.011 0.000 1.033 334 L HN 0.292 nan 8.230 nan 0.000 0.450 335 I N -3.632 116.953 120.570 0.024 0.000 2.707 335 I HA 0.399 4.568 4.170 -0.002 0.000 0.309 335 I C 0.777 176.903 176.117 0.016 0.000 1.001 335 I CA -0.713 60.601 61.300 0.023 0.000 1.129 335 I CB 1.361 39.372 38.000 0.018 0.000 1.308 335 I HN -0.048 nan 8.210 nan 0.000 0.466 336 Q N 1.290 121.099 119.800 0.015 0.000 2.230 336 Q HA -0.018 4.321 4.340 -0.002 0.000 0.202 336 Q C -0.353 175.647 176.000 0.001 0.000 0.963 336 Q CA 1.073 56.879 55.803 0.005 0.000 0.866 336 Q CB -0.079 28.665 28.738 0.009 0.000 0.931 336 Q HN 0.661 nan 8.270 nan 0.000 0.452 337 E N 1.978 122.183 120.200 0.009 0.000 2.283 337 E HA 0.159 4.508 4.350 -0.002 0.000 0.278 337 E C -2.357 174.255 176.600 0.020 0.000 1.027 337 E CA -2.193 54.214 56.400 0.012 0.000 0.843 337 E CB 0.503 30.211 29.700 0.014 0.000 1.062 337 E HN 0.022 nan 8.360 nan 0.000 0.401 338 P HA 0.133 nan 4.420 nan 0.000 0.281 338 P C -0.806 176.518 177.300 0.039 0.000 1.252 338 P CA -0.207 62.912 63.100 0.031 0.000 0.778 338 P CB 0.665 32.378 31.700 0.021 0.000 0.895 339 L N 3.849 125.110 121.223 0.063 0.000 2.321 339 L HA 0.339 4.677 4.340 -0.002 0.000 0.272 339 L C 0.407 177.320 176.870 0.071 0.000 1.050 339 L CA -0.176 54.702 54.840 0.063 0.000 0.893 339 L CB 0.537 42.646 42.059 0.083 0.000 1.272 339 L HN 0.211 nan 8.230 nan 0.000 0.435 340 E N 2.770 122.995 120.200 0.042 0.000 2.185 340 E HA 0.499 4.848 4.350 -0.002 0.000 0.261 340 E C -0.544 176.063 176.600 0.011 0.000 0.879 340 E CA -0.467 55.954 56.400 0.035 0.000 0.756 340 E CB 2.540 32.253 29.700 0.022 0.000 1.152 340 E HN 0.476 nan 8.360 nan 0.000 0.416 341 A N 2.546 125.371 122.820 0.008 0.000 2.354 341 A HA 0.530 4.848 4.320 -0.002 0.000 0.269 341 A C -0.136 177.405 177.584 -0.071 0.000 1.109 341 A CA -0.429 51.590 52.037 -0.030 0.000 0.800 341 A CB 0.669 19.652 19.000 -0.028 0.000 1.045 341 A HN 0.337 nan 8.150 nan 0.000 0.489 342 V N 2.356 122.222 119.914 -0.080 0.000 2.588 342 V HA 0.354 4.473 4.120 -0.002 0.000 0.304 342 V C 0.137 176.164 176.094 -0.111 0.000 1.042 342 V CA 0.212 62.458 62.300 -0.089 0.000 0.877 342 V CB 1.383 33.173 31.823 -0.055 0.000 0.996 342 V HN 1.143 nan 8.190 nan 0.000 0.425 343 D N 3.911 124.227 120.400 -0.140 0.000 2.737 343 D HA -0.191 4.448 4.640 -0.002 0.000 0.233 343 D C 1.207 177.413 176.300 -0.156 0.000 1.155 343 D CA 2.168 56.086 54.000 -0.137 0.000 0.667 343 D CB -1.038 39.714 40.800 -0.079 0.000 1.060 343 D HN 1.598 nan 8.370 nan 0.000 0.427 344 G N -1.634 107.020 108.800 -0.244 0.000 2.159 344 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.256 344 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.256 344 G C 0.211 175.061 174.900 -0.084 0.000 0.977 344 G CA 0.324 45.303 45.100 -0.202 0.000 0.652 344 G HN 0.579 nan 8.290 nan 0.000 0.531 345 L N -0.007 121.170 121.223 -0.078 0.000 2.325 345 L HA 0.726 5.065 4.340 -0.002 0.000 0.281 345 L C 0.144 176.991 176.870 -0.038 0.000 1.004 345 L CA -1.037 53.778 54.840 -0.042 0.000 0.823 345 L CB 1.818 43.855 42.059 -0.037 0.000 1.236 345 L HN 0.177 nan 8.230 nan 0.000 0.415 346 M N 7.377 126.963 119.600 -0.024 0.000 2.113 346 M HA 0.482 4.961 4.480 -0.002 0.000 0.352 346 M C -2.470 173.805 176.300 -0.042 0.000 1.170 346 M CA -1.979 53.307 55.300 -0.022 0.000 1.053 346 M CB 1.106 33.704 32.600 -0.003 0.000 1.601 346 M HN 0.105 nan 8.290 nan 0.000 0.459 347 P HA 0.094 nan 4.420 nan 0.000 0.275 347 P C -0.901 176.345 177.300 -0.090 0.000 1.228 347 P CA -0.324 62.741 63.100 -0.057 0.000 0.786 347 P CB 0.539 32.215 31.700 -0.041 0.000 0.927 348 V N 5.290 125.125 119.914 -0.132 0.000 2.470 348 V HA 0.110 4.229 4.120 -0.002 0.000 0.276 348 V C -1.552 174.449 176.094 -0.155 0.000 1.040 348 V CA -1.161 60.997 62.300 -0.236 0.000 1.008 348 V CB 0.059 31.699 31.823 -0.305 0.000 0.990 348 V HN 0.601 nan 8.190 nan 0.000 0.477 349 P HA 0.173 nan 4.420 nan 0.000 0.271 349 P C -0.829 176.491 177.300 0.033 0.000 1.216 349 P CA -0.443 62.651 63.100 -0.009 0.000 0.771 349 P CB 0.598 32.322 31.700 0.040 0.000 0.864 350 Q N 1.317 121.126 119.800 0.016 0.000 2.340 350 Q HA 0.602 4.941 4.340 -0.002 0.000 0.249 350 Q C 0.929 176.942 176.000 0.022 0.000 0.957 350 Q CA 0.406 56.219 55.803 0.017 0.000 0.882 350 Q CB 0.381 29.120 28.738 0.001 0.000 1.235 350 Q HN 0.867 nan 8.270 nan 0.000 0.439 351 G N 1.070 109.879 108.800 0.015 0.000 2.381 351 G HA2 0.005 3.964 3.960 -0.002 0.000 0.672 351 G HA3 0.005 3.964 3.960 -0.002 0.000 0.672 351 G C -3.012 171.869 174.900 -0.032 0.000 1.324 351 G CA -1.051 44.043 45.100 -0.010 0.000 0.975 351 G HN 0.540 nan 8.290 nan 0.000 0.593 352 P HA 0.491 nan 4.420 nan 0.000 0.276 352 P C 1.309 178.518 177.300 -0.152 0.000 1.244 352 P CA 1.491 64.530 63.100 -0.101 0.000 0.801 352 P CB 1.001 32.643 31.700 -0.097 0.000 1.006 353 G N 2.090 110.771 108.800 -0.198 0.000 2.651 353 G HA2 -0.384 3.575 3.960 -0.002 0.000 0.315 353 G HA3 -0.384 3.575 3.960 -0.002 0.000 0.315 353 G C 1.154 175.746 174.900 -0.514 0.000 1.258 353 G CA 1.540 46.472 45.100 -0.279 0.000 1.002 353 G HN 0.721 nan 8.290 nan 0.000 0.551 354 T N -0.993 113.266 114.554 -0.492 0.000 2.962 354 T HA 0.334 4.683 4.350 -0.002 0.000 0.270 354 T C 2.703 177.276 174.700 -0.211 0.000 1.088 354 T CA 1.932 63.678 62.100 -0.590 0.000 1.127 354 T CB -0.373 68.226 68.868 -0.448 0.000 0.883 354 T HN 2.787 nan 8.240 nan 0.000 0.493 355 G N 0.733 109.458 108.800 -0.125 0.000 2.148 355 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.254 355 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.254 355 G C 0.179 175.083 174.900 0.007 0.000 0.981 355 G CA 0.524 45.623 45.100 -0.002 0.000 0.670 355 G HN 1.636 nan 8.290 nan 0.000 0.528 356 V N -3.673 116.229 119.914 -0.019 0.000 3.074 356 V HA 1.016 5.135 4.120 -0.002 0.000 0.314 356 V C -0.170 175.917 176.094 -0.012 0.000 1.117 356 V CA -0.196 62.102 62.300 -0.004 0.000 1.014 356 V CB 2.282 34.112 31.823 0.012 0.000 1.057 356 V HN 0.672 nan 8.190 nan 0.000 0.438 357 T N 3.039 117.594 114.554 0.001 0.000 3.011 357 T HA 0.523 4.872 4.350 -0.002 0.000 0.303 357 T C -0.457 174.252 174.700 0.015 0.000 0.997 357 T CA -0.430 61.672 62.100 0.004 0.000 1.007 357 T CB 1.197 70.068 68.868 0.005 0.000 1.017 357 T HN 0.797 nan 8.240 nan 0.000 0.443 358 L N 2.729 123.963 121.223 0.018 0.000 2.525 358 L HA 0.101 4.440 4.340 -0.002 0.000 0.278 358 L C 0.744 177.640 176.870 0.043 0.000 1.218 358 L CA -0.019 54.839 54.840 0.029 0.000 0.878 358 L CB 0.317 42.391 42.059 0.026 0.000 1.127 358 L HN 0.661 nan 8.230 nan 0.000 0.492 359 D N 3.451 123.892 120.400 0.068 0.000 2.453 359 D HA 0.046 4.685 4.640 -0.002 0.000 0.223 359 D C 1.054 177.413 176.300 0.097 0.000 1.183 359 D CA -0.308 53.747 54.000 0.092 0.000 0.933 359 D CB 0.657 41.537 40.800 0.134 0.000 1.038 359 D HN 0.299 nan 8.370 nan 0.000 0.513 360 R N 2.380 122.918 120.500 0.062 0.000 2.120 360 R HA -0.076 4.263 4.340 -0.002 0.000 0.234 360 R C 1.598 177.920 176.300 0.037 0.000 1.123 360 R CA 0.741 56.866 56.100 0.042 0.000 0.975 360 R CB -0.053 30.269 30.300 0.037 0.000 0.866 360 R HN 0.612 nan 8.270 nan 0.000 0.446 361 E N -0.546 119.691 120.200 0.063 0.000 2.028 361 E HA -0.164 4.184 4.350 -0.002 0.000 0.191 361 E C 1.701 178.352 176.600 0.085 0.000 0.988 361 E CA 0.987 57.425 56.400 0.064 0.000 0.799 361 E CB -0.209 29.538 29.700 0.078 0.000 0.755 361 E HN 0.155 nan 8.360 nan 0.000 0.447 362 F N 1.589 121.537 119.950 -0.004 0.000 2.186 362 F HA -0.172 4.354 4.527 -0.002 0.000 0.299 362 F C 2.092 177.884 175.800 -0.013 0.000 1.090 362 F CA 0.756 58.752 58.000 -0.007 0.000 1.307 362 F CB -0.290 38.703 39.000 -0.012 0.000 1.019 362 F HN -0.003 nan 8.300 nan 0.000 0.489 363 L N 1.159 122.291 121.223 -0.153 0.000 2.043 363 L HA -0.111 4.228 4.340 -0.002 0.000 0.212 363 L C 2.409 179.138 176.870 -0.235 0.000 1.075 363 L CA 2.156 56.853 54.840 -0.238 0.000 0.752 363 L CB -1.528 40.484 42.059 -0.079 0.000 0.891 363 L HN 0.181 nan 8.230 nan 0.000 0.432 364 A N -1.274 121.461 122.820 -0.141 0.000 1.972 364 A HA -0.214 4.105 4.320 -0.002 0.000 0.219 364 A C 2.279 179.781 177.584 -0.136 0.000 1.169 364 A CA 2.095 54.070 52.037 -0.104 0.000 0.635 364 A CB -1.314 17.656 19.000 -0.049 0.000 0.810 364 A HN 0.645 nan 8.150 nan 0.000 0.446 365 T N -2.351 112.086 114.554 -0.195 0.000 3.072 365 T HA 0.058 4.407 4.350 -0.002 0.000 0.266 365 T C 0.925 175.497 174.700 -0.213 0.000 1.127 365 T CA 1.308 63.304 62.100 -0.173 0.000 1.107 365 T CB -0.399 68.397 68.868 -0.120 0.000 0.910 365 T HN 0.878 nan 8.240 nan 0.000 0.513 366 V N -2.562 117.172 119.914 -0.300 0.000 3.166 366 V HA 0.416 4.535 4.120 -0.002 0.000 0.332 366 V C 0.124 176.126 176.094 -0.154 0.000 1.434 366 V CA -0.729 61.433 62.300 -0.229 0.000 1.121 366 V CB -0.369 31.255 31.823 -0.331 0.000 1.062 366 V HN 0.176 nan 8.190 nan 0.000 0.489 367 T N 2.227 116.702 114.554 -0.132 0.000 2.749 367 T HA 0.319 4.668 4.350 -0.002 0.000 0.295 367 T C 0.950 175.612 174.700 -0.064 0.000 0.936 367 T CA -0.036 62.010 62.100 -0.090 0.000 1.060 367 T CB 1.499 70.322 68.868 -0.076 0.000 0.904 367 T HN 0.389 nan 8.240 nan 0.000 0.500 368 E N 1.888 122.056 120.200 -0.052 0.000 2.060 368 E HA 0.179 4.528 4.350 -0.002 0.000 0.189 368 E C 0.747 177.327 176.600 -0.032 0.000 0.974 368 E CA 0.435 56.810 56.400 -0.042 0.000 0.808 368 E CB 0.254 29.932 29.700 -0.037 0.000 0.768 368 E HN 0.703 nan 8.360 nan 0.000 0.453 369 A N 0.868 123.671 122.820 -0.027 0.000 2.572 369 A HA 0.547 4.866 4.320 -0.002 0.000 0.295 369 A C -1.165 176.412 177.584 -0.011 0.000 1.072 369 A CA -0.733 51.293 52.037 -0.018 0.000 0.691 369 A CB 1.662 20.656 19.000 -0.011 0.000 1.291 369 A HN 0.079 nan 8.150 nan 0.000 0.404 370 Q N 0.600 120.396 119.800 -0.006 0.000 2.511 370 Q HA 0.784 5.123 4.340 -0.002 0.000 0.289 370 Q C -1.268 174.736 176.000 0.006 0.000 1.021 370 Q CA -0.882 54.925 55.803 0.005 0.000 0.785 370 Q CB 2.236 30.974 28.738 -0.000 0.000 1.472 370 Q HN 0.868 nan 8.270 nan 0.000 0.411 371 E N 0.207 120.421 120.200 0.024 0.000 2.423 371 E HA 0.496 4.845 4.350 -0.002 0.000 0.280 371 E C -1.543 175.061 176.600 0.006 0.000 1.030 371 E CA -0.901 55.492 56.400 -0.012 0.000 0.812 371 E CB 2.463 32.168 29.700 0.008 0.000 1.313 371 E HN 0.667 nan 8.360 nan 0.000 0.456 372 E N 0.694 120.826 120.200 -0.113 0.000 2.293 372 E HA 0.409 4.758 4.350 -0.002 0.000 0.270 372 E C -1.688 174.769 176.600 -0.238 0.000 0.879 372 E CA -0.618 55.752 56.400 -0.050 0.000 0.756 372 E CB 1.676 31.351 29.700 -0.042 0.000 1.208 372 E HN 0.566 nan 8.360 nan 0.000 0.428 373 H N 1.613 120.704 119.070 0.034 0.000 2.690 373 H HA 0.587 5.142 4.556 -0.002 0.000 0.368 373 H C -0.472 174.880 175.328 0.040 0.000 1.150 373 H CA -0.622 55.446 56.048 0.034 0.000 1.174 373 H CB 1.657 31.443 29.762 0.040 0.000 1.684 373 H HN 0.317 nan 8.280 nan 0.000 0.538 374 R N 0.712 121.292 120.500 0.133 0.000 2.869 374 R HA 0.758 5.097 4.340 -0.002 0.000 0.263 374 R C -0.472 175.882 176.300 0.089 0.000 1.066 374 R CA -1.187 54.968 56.100 0.092 0.000 0.960 374 R CB 1.932 32.258 30.300 0.043 0.000 1.221 374 R HN 0.682 nan 8.270 nan 0.000 0.474 375 A N 0.000 122.862 122.820 0.070 0.000 2.254 375 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 375 A CA 0.000 52.073 52.037 0.060 0.000 0.836 375 A CB 0.000 19.027 19.000 0.045 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486