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_D 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 0.000 176.468 176.300 0.280 0.000 0.893 6 R CA 0.000 56.203 56.100 0.172 0.000 0.921 6 R CB 0.000 30.371 30.300 0.119 0.000 0.687 7 M N 1.608 121.322 119.600 0.191 0.000 2.163 7 M HA 0.448 4.928 4.480 -0.000 0.000 0.305 7 M C 0.147 176.605 176.300 0.263 0.000 1.166 7 M CA -0.010 55.394 55.300 0.173 0.000 1.132 7 M CB 0.222 32.804 32.600 -0.029 0.000 1.413 7 M HN 0.455 nan 8.290 nan 0.000 0.478 8 F N -0.686 119.355 119.950 0.152 0.000 2.551 8 F HA 0.703 5.230 4.527 -0.000 0.000 0.316 8 F C -0.767 175.112 175.800 0.132 0.000 1.089 8 F CA -1.277 56.817 58.000 0.157 0.000 0.915 8 F CB 0.998 40.130 39.000 0.219 0.000 1.186 8 F HN 0.422 nan 8.300 nan 0.000 0.456 9 K N 4.484 125.004 120.400 0.199 0.000 2.265 9 K HA 0.557 4.877 4.320 -0.000 0.000 0.267 9 K C -1.077 175.657 176.600 0.223 0.000 0.994 9 K CA -0.577 55.774 56.287 0.107 0.000 0.860 9 K CB 0.968 33.500 32.500 0.052 0.000 1.099 9 K HN 0.879 nan 8.250 nan 0.000 0.448 10 I N 5.085 125.803 120.570 0.247 0.000 2.308 10 I HA 0.039 4.208 4.170 -0.000 0.000 0.293 10 I C 0.635 176.863 176.117 0.185 0.000 1.078 10 I CA -0.046 61.412 61.300 0.264 0.000 1.292 10 I CB 1.034 39.217 38.000 0.306 0.000 1.423 10 I HN 0.799 nan 8.210 nan 0.000 0.493 11 E N 4.336 124.640 120.200 0.175 0.000 2.102 11 E HA 0.206 4.556 4.350 -0.000 0.000 0.190 11 E C 0.512 177.190 176.600 0.131 0.000 0.971 11 E CA 0.385 56.862 56.400 0.129 0.000 0.821 11 E CB 0.383 30.149 29.700 0.109 0.000 0.777 11 E HN 0.762 nan 8.360 nan 0.000 0.460 12 A N 0.155 123.086 122.820 0.185 0.000 2.594 12 A HA 0.829 5.149 4.320 -0.000 0.000 0.291 12 A C -1.601 176.159 177.584 0.293 0.000 1.105 12 A CA -0.327 51.826 52.037 0.192 0.000 0.694 12 A CB 1.815 20.865 19.000 0.083 0.000 1.291 12 A HN 0.086 nan 8.150 nan 0.000 0.410 13 A N 0.637 123.618 122.820 0.267 0.000 2.427 13 A HA 0.725 5.045 4.320 -0.000 0.000 0.298 13 A C -0.978 176.756 177.584 0.249 0.000 1.036 13 A CA -0.410 51.774 52.037 0.246 0.000 0.701 13 A CB 1.057 20.161 19.000 0.173 0.000 1.250 13 A HN 0.734 nan 8.150 nan 0.000 0.412 14 E N 1.551 121.879 120.200 0.213 0.000 2.183 14 E HA 0.567 4.916 4.350 -0.000 0.000 0.271 14 E C -1.155 175.522 176.600 0.129 0.000 0.919 14 E CA -0.504 56.000 56.400 0.175 0.000 0.781 14 E CB 2.382 32.184 29.700 0.170 0.000 1.140 14 E HN 0.587 nan 8.360 nan 0.000 0.402 15 I N 2.693 123.340 120.570 0.130 0.000 2.339 15 I HA 0.295 4.465 4.170 -0.000 0.000 0.290 15 I C -0.818 175.329 176.117 0.050 0.000 0.994 15 I CA -0.919 60.429 61.300 0.081 0.000 1.191 15 I CB 1.386 39.439 38.000 0.090 0.000 1.343 15 I HN 0.170 nan 8.210 nan 0.000 0.458 16 V N 7.234 127.162 119.914 0.024 0.000 2.483 16 V HA 0.339 4.459 4.120 -0.000 0.000 0.297 16 V C -0.164 175.921 176.094 -0.015 0.000 1.027 16 V CA -0.696 61.606 62.300 0.003 0.000 0.855 16 V CB 2.119 33.941 31.823 -0.002 0.000 0.995 16 V HN 0.383 nan 8.190 nan 0.000 0.424 17 V N 4.275 124.176 119.914 -0.022 0.000 2.370 17 V HA 0.819 4.939 4.120 -0.000 0.000 0.279 17 V C 0.512 176.576 176.094 -0.051 0.000 1.029 17 V CA -0.282 61.998 62.300 -0.032 0.000 0.870 17 V CB 1.303 33.111 31.823 -0.024 0.000 0.984 17 V HN 0.979 nan 8.190 nan 0.000 0.451 18 A N 5.303 128.083 122.820 -0.067 0.000 2.330 18 A HA 0.916 5.235 4.320 -0.000 0.000 0.329 18 A C -0.259 177.282 177.584 -0.071 0.000 1.135 18 A CA -0.890 51.091 52.037 -0.092 0.000 0.817 18 A CB 1.377 20.296 19.000 -0.136 0.000 1.269 18 A HN 0.781 nan 8.150 nan 0.000 0.469 19 R N 0.502 120.967 120.500 -0.058 0.000 2.480 19 R HA 0.643 4.983 4.340 -0.000 0.000 0.306 19 R C -2.154 174.174 176.300 0.048 0.000 0.958 19 R CA -0.536 55.578 56.100 0.024 0.000 0.861 19 R CB 1.198 31.526 30.300 0.046 0.000 1.171 19 R HN 0.548 nan 8.270 nan 0.000 0.445 20 L N 6.301 127.564 121.223 0.067 0.000 2.409 20 L HA 0.565 4.904 4.340 -0.000 0.000 0.272 20 L C -2.469 174.443 176.870 0.069 0.000 0.980 20 L CA -2.238 52.593 54.840 -0.015 0.000 0.826 20 L CB 2.183 44.009 42.059 -0.388 0.000 1.268 20 L HN 0.561 nan 8.230 nan 0.000 0.407 21 P HA 0.272 nan 4.420 nan 0.000 0.279 21 P C -0.040 177.357 177.300 0.162 0.000 1.239 21 P CA -0.303 62.615 63.100 -0.304 0.000 0.789 21 P CB 0.862 32.370 31.700 -0.319 0.000 0.933 22 L N 2.184 123.470 121.223 0.105 0.000 2.671 22 L HA 0.318 4.658 4.340 -0.000 0.000 0.188 22 L C 1.125 177.998 176.870 0.005 0.000 1.165 22 L CA -0.043 54.848 54.840 0.085 0.000 0.926 22 L CB 0.178 42.251 42.059 0.023 0.000 1.664 22 L HN 0.357 nan 8.230 nan 0.000 0.512 35 H N -0.270 118.882 119.070 0.136 0.000 2.848 35 H HA 0.197 4.753 4.556 -0.000 0.000 0.256 35 H C -1.796 173.628 175.328 0.160 0.000 1.193 35 H CA -0.574 55.562 56.048 0.146 0.000 1.914 35 H CB 0.191 30.008 29.762 0.090 0.000 1.698 35 H HN 0.302 nan 8.280 nan 0.000 0.458 36 K N 2.544 123.143 120.400 0.332 0.000 2.581 36 K HA 0.326 4.646 4.320 -0.000 0.000 0.249 36 K C -1.136 175.537 176.600 0.120 0.000 0.966 36 K CA -0.582 55.844 56.287 0.232 0.000 0.811 36 K CB 2.243 34.951 32.500 0.347 0.000 1.223 36 K HN 0.257 nan 8.250 nan 0.000 0.438 37 V N 4.005 123.965 119.914 0.076 0.000 2.406 37 V HA 0.296 4.416 4.120 -0.000 0.000 0.272 37 V C 0.030 176.120 176.094 -0.007 0.000 1.043 37 V CA -0.791 61.522 62.300 0.022 0.000 0.915 37 V CB 1.391 33.223 31.823 0.014 0.000 0.988 37 V HN 0.366 nan 8.190 nan 0.000 0.466 38 V N 7.889 127.776 119.914 -0.046 0.000 2.293 38 V HA 0.342 4.462 4.120 -0.000 0.000 0.275 38 V C -2.484 173.581 176.094 -0.050 0.000 1.021 38 V CA -1.880 60.382 62.300 -0.064 0.000 0.815 38 V CB 1.416 33.164 31.823 -0.124 0.000 1.025 38 V HN 0.750 nan 8.190 nan 0.000 0.448 39 P HA 0.448 nan 4.420 nan 0.000 0.287 39 P C -0.743 176.542 177.300 -0.025 0.000 1.294 39 P CA -0.158 62.927 63.100 -0.025 0.000 0.776 39 P CB 0.854 32.543 31.700 -0.017 0.000 0.889 40 L N 3.777 124.989 121.223 -0.019 0.000 2.334 40 L HA 0.608 4.948 4.340 -0.000 0.000 0.276 40 L C -0.266 176.605 176.870 0.002 0.000 1.014 40 L CA -1.091 53.741 54.840 -0.013 0.000 0.815 40 L CB 1.767 43.817 42.059 -0.015 0.000 1.268 40 L HN 0.225 nan 8.230 nan 0.000 0.428 41 L N 4.009 125.234 121.223 0.003 0.000 2.362 41 L HA 0.623 4.963 4.340 -0.000 0.000 0.275 41 L C -1.021 175.851 176.870 0.004 0.000 0.998 41 L CA 0.025 54.874 54.840 0.016 0.000 0.820 41 L CB 1.643 43.712 42.059 0.017 0.000 1.270 41 L HN 0.379 nan 8.230 nan 0.000 0.415 42 I N 6.080 126.649 120.570 -0.002 0.000 2.418 42 I HA 0.392 4.561 4.170 -0.000 0.000 0.287 42 I C -0.866 175.176 176.117 -0.125 0.000 1.008 42 I CA -0.482 60.767 61.300 -0.085 0.000 1.104 42 I CB 1.604 39.547 38.000 -0.096 0.000 1.264 42 I HN 0.443 nan 8.210 nan 0.000 0.438 43 L N 5.849 126.983 121.223 -0.148 0.000 2.317 43 L HA 0.511 4.851 4.340 -0.000 0.000 0.281 43 L C -0.405 176.347 176.870 -0.197 0.000 1.024 43 L CA -0.696 54.100 54.840 -0.073 0.000 0.810 43 L CB 1.062 43.133 42.059 0.021 0.000 1.240 43 L HN 0.508 nan 8.230 nan 0.000 0.427 44 H N 2.073 121.196 119.070 0.088 0.000 2.481 44 H HA 0.667 5.223 4.556 -0.000 0.000 0.333 44 H C -0.186 175.205 175.328 0.104 0.000 1.066 44 H CA -0.530 55.566 56.048 0.079 0.000 1.209 44 H CB 2.225 32.027 29.762 0.066 0.000 1.445 44 H HN 0.781 nan 8.280 nan 0.000 0.488 45 G N 1.410 110.330 108.800 0.199 0.000 2.702 45 G HA2 0.226 4.186 3.960 -0.000 0.000 0.296 45 G HA3 0.226 4.186 3.960 -0.000 0.000 0.296 45 G C -0.727 174.263 174.900 0.151 0.000 1.463 45 G CA -0.847 44.370 45.100 0.195 0.000 0.890 45 G HN 0.471 nan 8.290 nan 0.000 0.534 46 E N -0.381 119.902 120.200 0.138 0.000 2.476 46 E HA -0.261 4.089 4.350 -0.000 0.000 0.251 46 E C 1.428 178.073 176.600 0.076 0.000 1.130 46 E CA 1.830 58.294 56.400 0.108 0.000 0.736 46 E CB -1.601 28.176 29.700 0.128 0.000 1.298 46 E HN 2.512 nan 8.360 nan 0.000 0.400 47 G N -1.855 106.992 108.800 0.079 0.000 2.168 47 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.263 47 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.263 47 G C 0.515 175.451 174.900 0.060 0.000 0.977 47 G CA 1.191 46.329 45.100 0.064 0.000 0.659 47 G HN 1.014 nan 8.290 nan 0.000 0.533 48 V N -3.402 116.550 119.914 0.063 0.000 3.145 48 V HA 0.973 5.093 4.120 -0.000 0.000 0.311 48 V C -0.297 175.818 176.094 0.036 0.000 1.238 48 V CA -0.219 62.102 62.300 0.036 0.000 1.066 48 V CB 1.841 33.660 31.823 -0.006 0.000 1.144 48 V HN 1.096 nan 8.190 nan 0.000 0.465 49 Q N 0.382 120.171 119.800 -0.017 0.000 2.345 49 Q HA 0.724 5.064 4.340 -0.000 0.000 0.275 49 Q C -0.797 175.156 176.000 -0.078 0.000 1.063 49 Q CA -0.484 55.264 55.803 -0.092 0.000 0.819 49 Q CB 2.195 30.832 28.738 -0.168 0.000 1.356 49 Q HN 1.307 nan 8.270 nan 0.000 0.418 50 G N 1.205 109.956 108.800 -0.081 0.000 2.415 50 G HA2 0.579 4.539 3.960 -0.000 0.000 0.327 50 G HA3 0.579 4.539 3.960 -0.000 0.000 0.327 50 G C -1.019 173.874 174.900 -0.012 0.000 1.182 50 G CA -0.589 44.498 45.100 -0.022 0.000 0.924 50 G HN 0.425 nan 8.290 nan 0.000 0.470 51 V N 0.763 120.709 119.914 0.054 0.000 2.540 51 V HA 0.838 4.958 4.120 -0.000 0.000 0.302 51 V C 0.284 176.478 176.094 0.167 0.000 1.035 51 V CA -0.691 61.650 62.300 0.067 0.000 0.873 51 V CB 1.126 32.978 31.823 0.049 0.000 0.992 51 V HN 1.167 nan 8.190 nan 0.000 0.428 52 A N 3.240 126.093 122.820 0.056 0.000 2.479 52 A HA 0.890 5.209 4.320 -0.000 0.000 0.296 52 A C -0.801 176.746 177.584 -0.062 0.000 1.121 52 A CA -0.677 51.322 52.037 -0.063 0.000 0.743 52 A CB 1.876 20.773 19.000 -0.171 0.000 1.323 52 A HN 0.872 nan 8.150 nan 0.000 0.415 53 E N 0.859 120.994 120.200 -0.109 0.000 2.187 53 E HA 0.526 4.876 4.350 -0.000 0.000 0.268 53 E C 0.202 176.757 176.600 -0.075 0.000 0.896 53 E CA -0.677 55.682 56.400 -0.067 0.000 0.766 53 E CB 1.486 31.158 29.700 -0.046 0.000 1.142 53 E HN 0.925 nan 8.360 nan 0.000 0.408 54 G N 1.766 110.538 108.800 -0.046 0.000 2.398 54 G HA2 0.119 4.079 3.960 -0.000 0.000 0.246 54 G HA3 0.119 4.079 3.960 -0.000 0.000 0.246 54 G C 0.683 175.565 174.900 -0.031 0.000 1.289 54 G CA 0.186 45.266 45.100 -0.034 0.000 0.869 54 G HN 0.635 nan 8.290 nan 0.000 0.543 55 T N 0.403 114.941 114.554 -0.027 0.000 3.054 55 T HA 0.191 4.541 4.350 -0.000 0.000 0.255 55 T C 1.174 175.873 174.700 -0.002 0.000 1.035 55 T CA -0.376 61.708 62.100 -0.025 0.000 0.941 55 T CB -0.063 68.777 68.868 -0.047 0.000 1.026 55 T HN 0.535 nan 8.240 nan 0.000 0.533 56 M N 1.415 121.021 119.600 0.009 0.000 2.240 56 M HA 0.519 4.998 4.480 -0.000 0.000 0.333 56 M C -0.555 175.754 176.300 0.016 0.000 1.110 56 M CA 0.019 55.333 55.300 0.022 0.000 1.173 56 M CB 0.107 32.715 32.600 0.013 0.000 1.458 56 M HN 0.058 nan 8.290 nan 0.000 0.458 57 E N 1.254 121.467 120.200 0.022 0.000 2.254 57 E HA 0.625 4.975 4.350 -0.000 0.000 0.258 57 E C 0.947 177.551 176.600 0.007 0.000 1.033 57 E CA -0.390 56.022 56.400 0.020 0.000 0.893 57 E CB 1.137 30.856 29.700 0.031 0.000 1.204 57 E HN 0.777 nan 8.360 nan 0.000 0.425 58 A N 1.279 124.103 122.820 0.008 0.000 1.902 58 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 58 A C 0.772 178.352 177.584 -0.007 0.000 1.181 58 A CA 1.320 53.356 52.037 -0.001 0.000 0.623 58 A CB -0.127 18.873 19.000 -0.000 0.000 0.818 58 A HN 0.417 nan 8.150 nan 0.000 0.443 59 R N -0.747 119.750 120.500 -0.005 0.000 2.778 59 R HA 0.416 4.755 4.340 -0.000 0.000 0.277 59 R C -2.884 173.402 176.300 -0.024 0.000 0.977 59 R CA -2.264 53.827 56.100 -0.014 0.000 0.950 59 R CB 1.013 31.307 30.300 -0.011 0.000 1.165 59 R HN 0.028 nan 8.270 nan 0.000 0.474 60 P HA 0.112 nan 4.420 nan 0.000 0.252 60 P C -0.399 176.831 177.300 -0.116 0.000 1.727 60 P CA 0.315 63.361 63.100 -0.091 0.000 1.134 60 P CB 0.364 31.997 31.700 -0.113 0.000 1.876 61 M N 0.773 120.330 119.600 -0.072 0.000 2.858 61 M HA 0.047 4.527 4.480 -0.000 0.000 0.255 61 M C 1.874 178.137 176.300 -0.062 0.000 1.336 61 M CA 0.768 56.036 55.300 -0.054 0.000 1.220 61 M CB -0.197 32.407 32.600 0.007 0.000 1.252 61 M HN 0.091 nan 8.290 nan 0.000 0.538 62 Y N 0.926 121.152 120.300 -0.123 0.000 2.206 62 Y HA 0.123 4.673 4.550 -0.000 0.000 0.292 62 Y C 1.495 177.250 175.900 -0.242 0.000 1.123 62 Y CA 1.217 59.244 58.100 -0.122 0.000 1.142 62 Y CB 0.499 38.923 38.460 -0.059 0.000 1.006 62 Y HN -0.042 nan 8.280 nan 0.000 0.518 63 R N -0.754 119.474 120.500 -0.453 0.000 3.270 63 R HA 0.101 4.441 4.340 -0.000 0.000 0.252 63 R C 1.009 177.030 176.300 -0.464 0.000 1.331 63 R CA 0.131 55.816 56.100 -0.693 0.000 1.028 63 R CB 0.662 30.639 30.300 -0.539 0.000 1.450 63 R HN 0.156 nan 8.270 nan 0.000 0.471 64 E N 0.824 120.790 120.200 -0.390 0.000 2.385 64 E HA 0.035 4.385 4.350 -0.000 0.000 0.194 64 E C -0.602 175.936 176.600 -0.103 0.000 1.013 64 E CA 0.734 56.992 56.400 -0.237 0.000 0.866 64 E CB 0.304 29.927 29.700 -0.129 0.000 0.832 64 E HN 0.429 nan 8.360 nan 0.000 0.500 65 E N 1.151 121.312 120.200 -0.066 0.000 2.349 65 E HA 0.301 4.651 4.350 -0.000 0.000 0.262 65 E C -0.230 176.354 176.600 -0.027 0.000 1.088 65 E CA -0.008 56.375 56.400 -0.027 0.000 0.899 65 E CB 1.132 30.832 29.700 0.000 0.000 1.044 65 E HN 0.259 nan 8.360 nan 0.000 0.420 66 T N -2.043 112.496 114.554 -0.024 0.000 2.906 66 T HA 0.376 4.726 4.350 -0.000 0.000 0.295 66 T C 1.075 175.763 174.700 -0.021 0.000 1.061 66 T CA -0.786 61.301 62.100 -0.022 0.000 1.000 66 T CB 0.721 69.573 68.868 -0.026 0.000 1.103 66 T HN 0.399 nan 8.240 nan 0.000 0.486 67 I N 1.177 121.738 120.570 -0.016 0.000 2.194 67 I HA -0.197 3.973 4.170 -0.000 0.000 0.246 67 I C 3.000 179.100 176.117 -0.028 0.000 1.093 67 I CA 1.927 63.216 61.300 -0.019 0.000 1.355 67 I CB -0.764 37.228 38.000 -0.014 0.000 1.046 67 I HN 0.903 nan 8.210 nan 0.000 0.413 68 A N 0.977 123.780 122.820 -0.028 0.000 1.877 68 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 68 A C 2.457 180.012 177.584 -0.048 0.000 1.186 68 A CA 2.006 54.022 52.037 -0.034 0.000 0.620 68 A CB -1.436 17.547 19.000 -0.030 0.000 0.822 68 A HN 0.464 nan 8.150 nan 0.000 0.443 69 G N -0.700 108.070 108.800 -0.050 0.000 2.418 69 G HA2 0.032 3.991 3.960 -0.000 0.000 0.217 69 G HA3 0.032 3.991 3.960 -0.000 0.000 0.217 69 G C 1.746 176.590 174.900 -0.093 0.000 1.158 69 G CA 1.479 46.538 45.100 -0.067 0.000 0.771 69 G HN 0.795 nan 8.290 nan 0.000 0.545 70 A N 0.635 123.411 122.820 -0.072 0.000 1.873 70 A HA 0.115 4.435 4.320 -0.000 0.000 0.215 70 A C 2.442 179.966 177.584 -0.101 0.000 1.186 70 A CA 1.248 53.238 52.037 -0.079 0.000 0.616 70 A CB -0.417 18.564 19.000 -0.033 0.000 0.823 70 A HN 0.337 nan 8.150 nan 0.000 0.442 71 L N -0.641 120.538 121.223 -0.073 0.000 2.056 71 L HA -0.191 4.148 4.340 -0.000 0.000 0.207 71 L C 2.422 179.228 176.870 -0.106 0.000 1.078 71 L CA 1.889 56.688 54.840 -0.070 0.000 0.749 71 L CB -0.793 41.244 42.059 -0.037 0.000 0.901 71 L HN 0.487 nan 8.230 nan 0.000 0.433 72 D N 0.404 120.739 120.400 -0.108 0.000 2.149 72 D HA -0.242 4.398 4.640 -0.000 0.000 0.198 72 D C 2.097 178.270 176.300 -0.212 0.000 0.990 72 D CA 1.030 54.953 54.000 -0.129 0.000 0.839 72 D CB 0.087 40.822 40.800 -0.108 0.000 0.948 72 D HN 0.105 nan 8.370 nan 0.000 0.460 73 L N 0.046 121.099 121.223 -0.284 0.000 2.056 73 L HA -0.003 4.336 4.340 -0.000 0.000 0.207 73 L C 2.125 178.652 176.870 -0.572 0.000 1.078 73 L CA 1.306 55.841 54.840 -0.508 0.000 0.749 73 L CB -0.526 41.173 42.059 -0.601 0.000 0.901 73 L HN 0.208 nan 8.230 nan 0.000 0.433 74 L N -0.254 120.765 121.223 -0.339 0.000 1.955 74 L HA -0.260 4.080 4.340 -0.000 0.000 0.213 74 L C 2.908 179.655 176.870 -0.206 0.000 1.072 74 L CA 2.199 56.936 54.840 -0.172 0.000 0.755 74 L CB -0.595 41.418 42.059 -0.076 0.000 0.888 74 L HN 0.409 nan 8.230 nan 0.000 0.432 75 R N -0.195 120.159 120.500 -0.242 0.000 2.092 75 R HA -0.069 4.271 4.340 -0.000 0.000 0.231 75 R C 1.960 178.125 176.300 -0.225 0.000 1.119 75 R CA 1.459 57.352 56.100 -0.345 0.000 0.970 75 R CB -0.815 29.335 30.300 -0.250 0.000 0.864 75 R HN 0.305 nan 8.270 nan 0.000 0.440 76 G N -0.941 107.748 108.800 -0.185 0.000 2.838 76 G HA2 0.034 3.994 3.960 -0.000 0.000 0.210 76 G HA3 0.034 3.994 3.960 -0.000 0.000 0.210 76 G C 0.647 175.455 174.900 -0.152 0.000 1.153 76 G CA 0.663 45.679 45.100 -0.141 0.000 0.778 76 G HN 0.383 nan 8.290 nan 0.000 0.539 77 T N -0.571 113.855 114.554 -0.213 0.000 3.449 77 T HA 0.174 4.524 4.350 -0.000 0.000 0.268 77 T C 1.627 176.346 174.700 0.032 0.000 0.996 77 T CA -0.239 61.745 62.100 -0.194 0.000 1.125 77 T CB -0.065 68.490 68.868 -0.521 0.000 1.172 77 T HN -0.032 nan 8.240 nan 0.000 0.430 78 F N 2.249 122.122 119.950 -0.128 0.000 2.113 78 F HA 0.239 4.766 4.527 -0.001 0.000 0.297 78 F C 2.203 177.975 175.800 -0.047 0.000 1.103 78 F CA 0.310 58.266 58.000 -0.074 0.000 1.248 78 F CB -1.246 37.708 39.000 -0.078 0.000 0.999 78 F HN 0.075 nan 8.300 nan 0.000 0.475 79 L N -0.327 120.964 121.223 0.113 0.000 2.017 79 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 79 L C -0.275 176.633 176.870 0.062 0.000 1.073 79 L CA 1.331 56.198 54.840 0.045 0.000 0.745 79 L CB -2.179 39.835 42.059 -0.075 0.000 0.894 79 L HN 0.045 nan 8.230 nan 0.000 0.432 80 P HA -0.195 nan 4.420 nan 0.000 0.217 80 P C 1.375 178.730 177.300 0.091 0.000 1.148 80 P CA 1.779 64.916 63.100 0.062 0.000 0.828 80 P CB -0.003 31.721 31.700 0.040 0.000 0.783 81 A N -0.671 122.222 122.820 0.121 0.000 2.066 81 A HA -0.098 4.221 4.320 -0.000 0.000 0.218 81 A C 2.014 179.702 177.584 0.173 0.000 1.157 81 A CA 1.332 53.455 52.037 0.143 0.000 0.670 81 A CB -1.246 17.858 19.000 0.174 0.000 0.804 81 A HN 0.364 nan 8.150 nan 0.000 0.453 82 I N -4.242 116.433 120.570 0.176 0.000 3.790 82 I HA 0.317 4.487 4.170 -0.000 0.000 0.305 82 I C 0.171 176.431 176.117 0.239 0.000 1.253 82 I CA -0.242 61.223 61.300 0.275 0.000 1.355 82 I CB -0.113 37.988 38.000 0.168 0.000 1.137 82 I HN -0.058 nan 8.210 nan 0.000 0.435 83 L N 3.682 124.998 121.223 0.154 0.000 2.513 83 L HA 0.227 4.567 4.340 -0.000 0.000 0.272 83 L C 1.390 178.314 176.870 0.091 0.000 1.187 83 L CA 1.229 56.147 54.840 0.129 0.000 0.895 83 L CB 0.369 42.496 42.059 0.114 0.000 1.147 83 L HN 0.638 nan 8.230 nan 0.000 0.483 84 G N 1.669 110.516 108.800 0.078 0.000 2.179 84 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 84 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 84 G C 0.262 175.140 174.900 -0.037 0.000 0.977 84 G CA -0.328 44.788 45.100 0.027 0.000 0.641 84 G HN 0.519 nan 8.290 nan 0.000 0.533 85 Q N 0.531 120.297 119.800 -0.057 0.000 2.214 85 Q HA 0.606 4.946 4.340 -0.000 0.000 0.251 85 Q C -0.088 175.613 176.000 -0.498 0.000 0.936 85 Q CA 0.040 55.656 55.803 -0.312 0.000 0.894 85 Q CB 1.448 29.936 28.738 -0.418 0.000 1.252 85 Q HN 0.245 nan 8.270 nan 0.000 0.448 86 T N 2.129 116.272 114.554 -0.685 0.000 2.794 86 T HA 0.669 5.019 4.350 -0.000 0.000 0.280 86 T C -0.584 173.530 174.700 -0.978 0.000 0.987 86 T CA -0.259 61.475 62.100 -0.611 0.000 0.993 86 T CB 0.251 68.923 68.868 -0.327 0.000 0.939 86 T HN 0.244 nan 8.240 nan 0.000 0.449 87 F N 0.111 119.677 119.950 -0.639 0.000 2.588 87 F HA 0.607 5.134 4.527 -0.001 0.000 0.314 87 F C 1.010 176.350 175.800 -0.767 0.000 1.069 87 F CA -1.276 56.270 58.000 -0.757 0.000 0.931 87 F CB 1.613 40.021 39.000 -0.986 0.000 1.260 87 F HN 0.629 nan 8.300 nan 0.000 0.465 88 A N 1.710 124.366 122.820 -0.272 0.000 1.975 88 A HA 0.175 4.495 4.320 -0.000 0.000 0.215 88 A C 0.257 177.607 177.584 -0.390 0.000 1.170 88 A CA 0.900 52.810 52.037 -0.211 0.000 0.656 88 A CB -0.496 18.421 19.000 -0.138 0.000 0.821 88 A HN 0.844 nan 8.150 nan 0.000 0.449 89 N N -3.199 115.241 118.700 -0.434 0.000 3.116 89 N HA 0.232 4.972 4.740 -0.000 0.000 0.244 89 N C -3.010 172.169 175.510 -0.551 0.000 1.485 89 N CA -1.491 51.073 53.050 -0.810 0.000 0.884 89 N CB 0.834 38.809 38.487 -0.854 0.000 1.415 89 N HN -0.315 nan 8.380 nan 0.000 0.524 90 P HA -0.085 nan 4.420 nan 0.000 0.218 90 P C 0.630 177.639 177.300 -0.484 0.000 1.148 90 P CA 1.389 64.023 63.100 -0.776 0.000 0.822 90 P CB 0.171 30.872 31.700 -1.665 0.000 0.784 91 E N -0.310 119.659 120.200 -0.385 0.000 2.110 91 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 91 E C 2.119 178.613 176.600 -0.177 0.000 0.988 91 E CA 1.488 57.779 56.400 -0.181 0.000 0.804 91 E CB -0.989 28.653 29.700 -0.097 0.000 0.745 91 E HN 0.167 nan 8.360 nan 0.000 0.458 92 A N 0.295 122.993 122.820 -0.203 0.000 1.968 92 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 92 A C 2.397 179.850 177.584 -0.219 0.000 1.169 92 A CA 1.004 52.981 52.037 -0.098 0.000 0.638 92 A CB -0.488 18.522 19.000 0.016 0.000 0.812 92 A HN 0.139 nan 8.150 nan 0.000 0.446 93 V N -0.106 119.451 119.914 -0.594 0.000 2.261 93 V HA -0.238 3.881 4.120 -0.000 0.000 0.246 93 V C 2.789 178.604 176.094 -0.464 0.000 1.047 93 V CA 2.393 64.120 62.300 -0.955 0.000 1.015 93 V CB -0.994 30.341 31.823 -0.813 0.000 0.642 93 V HN 0.550 nan 8.190 nan 0.000 0.446 94 S N -0.164 115.347 115.700 -0.314 0.000 2.365 94 S HA -0.306 4.163 4.470 -0.000 0.000 0.225 94 S C 1.836 176.339 174.600 -0.162 0.000 1.039 94 S CA 2.003 60.073 58.200 -0.217 0.000 1.033 94 S CB -0.554 62.567 63.200 -0.130 0.000 0.887 94 S HN 0.797 nan 8.310 nan 0.000 0.447 95 D N 1.336 121.665 120.400 -0.119 0.000 2.158 95 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 95 D C 1.740 178.021 176.300 -0.032 0.000 0.995 95 D CA 1.261 55.226 54.000 -0.058 0.000 0.846 95 D CB -0.237 40.544 40.800 -0.033 0.000 0.941 95 D HN 0.378 nan 8.370 nan 0.000 0.456 96 A N -0.347 122.460 122.820 -0.022 0.000 2.206 96 A HA 0.078 4.398 4.320 -0.000 0.000 0.211 96 A C 2.042 179.644 177.584 0.030 0.000 1.158 96 A CA 0.260 52.332 52.037 0.058 0.000 0.761 96 A CB -0.498 18.639 19.000 0.228 0.000 0.801 96 A HN 0.381 nan 8.150 nan 0.000 0.473 97 L N -0.928 120.255 121.223 -0.066 0.000 2.552 97 L HA 0.184 4.524 4.340 -0.000 0.000 0.227 97 L C 1.453 178.416 176.870 0.157 0.000 1.146 97 L CA 0.362 55.160 54.840 -0.070 0.000 0.858 97 L CB -1.137 40.626 42.059 -0.493 0.000 0.969 97 L HN 0.589 nan 8.230 nan 0.000 0.451 98 G N 0.395 109.238 108.800 0.072 0.000 2.741 98 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.222 98 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.222 98 G C 0.399 175.271 174.900 -0.046 0.000 1.364 98 G CA -0.084 45.020 45.100 0.008 0.000 0.866 98 G HN 0.308 nan 8.290 nan 0.000 0.555 99 S N -1.028 114.543 115.700 -0.215 0.000 2.614 99 S HA 0.365 4.835 4.470 -0.000 0.000 0.230 99 S C 0.681 175.202 174.600 -0.132 0.000 0.952 99 S CA 0.118 58.231 58.200 -0.145 0.000 0.949 99 S CB -0.145 62.974 63.200 -0.135 0.000 0.786 99 S HN 0.729 nan 8.310 nan 0.000 0.478 100 Y N 2.835 123.195 120.300 0.099 0.000 2.903 100 Y HA 0.006 4.556 4.550 -0.000 0.000 0.338 100 Y C 1.304 177.263 175.900 0.099 0.000 1.265 100 Y CA -0.019 58.149 58.100 0.114 0.000 1.532 100 Y CB 0.321 38.897 38.460 0.193 0.000 1.293 100 Y HN 0.140 nan 8.280 nan 0.000 0.609 101 R N 1.947 122.579 120.500 0.220 0.000 2.404 101 R HA 0.472 4.812 4.340 -0.000 0.000 0.291 101 R C 0.811 177.194 176.300 0.139 0.000 1.025 101 R CA 0.081 56.263 56.100 0.137 0.000 0.991 101 R CB 1.134 31.488 30.300 0.091 0.000 1.053 101 R HN 0.972 nan 8.270 nan 0.000 0.479 102 G N 2.269 111.137 108.800 0.114 0.000 2.552 102 G HA2 -0.419 3.540 3.960 -0.000 0.000 0.265 102 G HA3 -0.419 3.540 3.960 -0.000 0.000 0.265 102 G C -0.338 174.637 174.900 0.124 0.000 1.234 102 G CA 0.216 45.378 45.100 0.104 0.000 0.944 102 G HN 0.867 nan 8.290 nan 0.000 0.568 103 N N -0.630 118.131 118.700 0.102 0.000 2.727 103 N HA -0.197 4.542 4.740 -0.000 0.000 0.249 103 N C 1.344 176.936 175.510 0.137 0.000 1.048 103 N CA 1.307 54.420 53.050 0.106 0.000 0.714 103 N CB -0.412 38.136 38.487 0.102 0.000 0.959 103 N HN 0.706 nan 8.380 nan 0.000 0.544 104 R N -0.050 120.511 120.500 0.101 0.000 2.092 104 R HA -0.016 4.323 4.340 -0.000 0.000 0.231 104 R C 1.772 178.111 176.300 0.066 0.000 1.119 104 R CA 1.587 57.736 56.100 0.081 0.000 0.970 104 R CB -0.155 30.183 30.300 0.062 0.000 0.864 104 R HN 0.482 nan 8.270 nan 0.000 0.440 105 M N 0.074 119.711 119.600 0.062 0.000 2.159 105 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 105 M C 2.523 178.854 176.300 0.052 0.000 1.063 105 M CA 1.585 56.910 55.300 0.041 0.000 1.110 105 M CB -0.306 32.317 32.600 0.039 0.000 1.374 105 M HN 0.214 nan 8.290 nan 0.000 0.411 106 A N 0.690 123.564 122.820 0.091 0.000 1.877 106 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 106 A C 2.160 179.884 177.584 0.233 0.000 1.186 106 A CA 1.579 53.703 52.037 0.146 0.000 0.620 106 A CB -0.632 18.450 19.000 0.136 0.000 0.822 106 A HN 0.412 nan 8.150 nan 0.000 0.443 107 R N -0.592 120.050 120.500 0.237 0.000 2.091 107 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 107 R C 2.445 178.732 176.300 -0.022 0.000 1.136 107 R CA 1.223 57.338 56.100 0.025 0.000 0.959 107 R CB -0.497 29.782 30.300 -0.035 0.000 0.856 107 R HN 0.527 nan 8.270 nan 0.000 0.437 108 A N 0.972 123.795 122.820 0.005 0.000 1.978 108 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 108 A C 2.152 179.709 177.584 -0.045 0.000 1.170 108 A CA 1.386 53.404 52.037 -0.032 0.000 0.636 108 A CB -0.422 18.547 19.000 -0.052 0.000 0.810 108 A HN 0.215 nan 8.150 nan 0.000 0.448 109 M N -0.899 118.690 119.600 -0.018 0.000 2.080 109 M HA -0.165 4.315 4.480 -0.000 0.000 0.260 109 M C 2.113 178.406 176.300 -0.011 0.000 1.068 109 M CA 1.685 56.971 55.300 -0.023 0.000 1.109 109 M CB -0.469 32.138 32.600 0.010 0.000 1.342 109 M HN 0.281 nan 8.290 nan 0.000 0.405 110 V N -0.206 119.706 119.914 -0.003 0.000 2.323 110 V HA -0.207 3.913 4.120 -0.000 0.000 0.244 110 V C 2.400 178.473 176.094 -0.035 0.000 1.041 110 V CA 1.719 64.004 62.300 -0.025 0.000 1.025 110 V CB -0.734 31.044 31.823 -0.075 0.000 0.656 110 V HN 0.470 nan 8.190 nan 0.000 0.451 111 E N 0.119 120.297 120.200 -0.036 0.000 2.051 111 E HA -0.229 4.120 4.350 -0.000 0.000 0.192 111 E C 2.208 178.928 176.600 0.200 0.000 0.991 111 E CA 1.825 58.241 56.400 0.026 0.000 0.799 111 E CB -0.144 29.584 29.700 0.047 0.000 0.748 111 E HN 0.559 nan 8.360 nan 0.000 0.449 112 M N -0.128 119.570 119.600 0.164 0.000 2.175 112 M HA -0.088 4.392 4.480 -0.000 0.000 0.264 112 M C 2.437 178.925 176.300 0.313 0.000 1.063 112 M CA 1.351 56.812 55.300 0.269 0.000 1.119 112 M CB -0.201 32.310 32.600 -0.149 0.000 1.377 112 M HN 0.085 nan 8.290 nan 0.000 0.415 113 A N 0.628 123.528 122.820 0.132 0.000 1.933 113 A HA -0.048 4.271 4.320 -0.000 0.000 0.218 113 A C 2.395 180.039 177.584 0.100 0.000 1.175 113 A CA 1.879 53.988 52.037 0.120 0.000 0.628 113 A CB -0.885 18.142 19.000 0.044 0.000 0.814 113 A HN 0.484 nan 8.150 nan 0.000 0.444 114 A N -1.469 121.385 122.820 0.056 0.000 1.902 114 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 114 A C 1.976 179.515 177.584 -0.075 0.000 1.181 114 A CA 1.346 53.355 52.037 -0.047 0.000 0.623 114 A CB -0.894 18.029 19.000 -0.128 0.000 0.818 114 A HN 0.745 nan 8.150 nan 0.000 0.443 115 W N -0.070 121.275 121.300 0.075 0.000 2.363 115 W HA -0.146 4.514 4.660 -0.001 0.000 0.296 115 W C 2.065 178.616 176.519 0.054 0.000 1.212 115 W CA 1.356 58.772 57.345 0.119 0.000 1.260 115 W CB -0.120 29.449 29.460 0.182 0.000 1.131 115 W HN 0.472 nan 8.180 nan 0.000 0.530 116 D N -0.104 120.460 120.400 0.274 0.000 2.097 116 D HA -0.182 4.457 4.640 -0.000 0.000 0.197 116 D C 2.037 178.334 176.300 -0.005 0.000 0.984 116 D CA 1.263 55.314 54.000 0.085 0.000 0.826 116 D CB -0.473 40.386 40.800 0.099 0.000 0.973 116 D HN -0.014 nan 8.370 nan 0.000 0.460 117 L N 0.787 121.994 121.223 -0.026 0.000 1.970 117 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 117 L C 2.271 179.028 176.870 -0.188 0.000 1.071 117 L CA 2.039 56.813 54.840 -0.109 0.000 0.751 117 L CB -1.087 40.896 42.059 -0.127 0.000 0.889 117 L HN 0.406 nan 8.230 nan 0.000 0.432 118 W N 0.413 121.388 121.300 -0.541 0.000 2.317 118 W HA -0.346 4.314 4.660 -0.000 0.000 0.318 118 W C 2.116 178.474 176.519 -0.269 0.000 1.227 118 W CA 2.096 59.069 57.345 -0.620 0.000 1.269 118 W CB -0.354 28.689 29.460 -0.696 0.000 1.155 118 W HN 0.384 nan 8.180 nan 0.000 0.484 119 A N 1.090 123.753 122.820 -0.262 0.000 1.933 119 A HA -0.207 4.112 4.320 -0.000 0.000 0.218 119 A C 2.016 179.424 177.584 -0.293 0.000 1.175 119 A CA 1.866 53.707 52.037 -0.327 0.000 0.628 119 A CB -0.850 18.082 19.000 -0.114 0.000 0.814 119 A HN 0.453 nan 8.150 nan 0.000 0.444 120 R N -0.705 119.669 120.500 -0.210 0.000 2.115 120 R HA -0.067 4.273 4.340 -0.000 0.000 0.226 120 R C 2.402 178.603 176.300 -0.165 0.000 1.100 120 R CA 1.607 57.612 56.100 -0.158 0.000 0.980 120 R CB -0.547 29.689 30.300 -0.105 0.000 0.875 120 R HN 0.748 nan 8.270 nan 0.000 0.445 121 T N -1.006 113.426 114.554 -0.204 0.000 2.962 121 T HA -0.032 4.318 4.350 -0.000 0.000 0.270 121 T C 1.724 176.288 174.700 -0.228 0.000 1.088 121 T CA 0.885 62.884 62.100 -0.169 0.000 1.127 121 T CB -0.076 68.722 68.868 -0.118 0.000 0.883 121 T HN 0.144 nan 8.240 nan 0.000 0.493 122 L N 0.212 121.221 121.223 -0.356 0.000 2.477 122 L HA 0.378 4.718 4.340 -0.000 0.000 0.220 122 L C 2.019 178.765 176.870 -0.207 0.000 1.106 122 L CA 0.351 54.991 54.840 -0.333 0.000 0.851 122 L CB -0.631 41.125 42.059 -0.505 0.000 0.994 122 L HN 0.542 nan 8.230 nan 0.000 0.462 123 G N 1.263 109.956 108.800 -0.178 0.000 2.221 123 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.265 123 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.265 123 G C -0.098 174.732 174.900 -0.117 0.000 1.041 123 G CA 0.200 45.226 45.100 -0.123 0.000 0.807 123 G HN 0.142 nan 8.290 nan 0.000 0.502 124 V N 0.345 120.169 119.914 -0.150 0.000 2.628 124 V HA 0.554 4.674 4.120 -0.000 0.000 0.306 124 V C -1.862 174.165 176.094 -0.112 0.000 1.045 124 V CA -1.996 60.233 62.300 -0.118 0.000 0.905 124 V CB 2.258 34.001 31.823 -0.132 0.000 0.997 124 V HN 0.083 nan 8.190 nan 0.000 0.436 125 P HA 0.044 nan 4.420 nan 0.000 0.267 125 P C 0.588 177.811 177.300 -0.129 0.000 1.200 125 P CA -0.122 62.940 63.100 -0.062 0.000 0.772 125 P CB 0.630 32.367 31.700 0.061 0.000 0.855 126 L N 4.357 125.371 121.223 -0.349 0.000 1.994 126 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 126 L C 2.253 178.984 176.870 -0.233 0.000 1.071 126 L CA 2.658 57.280 54.840 -0.364 0.000 0.745 126 L CB -1.792 39.873 42.059 -0.658 0.000 0.892 126 L HN 0.514 nan 8.230 nan 0.000 0.431 127 G N -1.868 106.917 108.800 -0.024 0.000 2.475 127 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 127 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 127 G C 1.430 176.309 174.900 -0.035 0.000 1.125 127 G CA 1.315 46.411 45.100 -0.006 0.000 0.755 127 G HN 0.473 nan 8.290 nan 0.000 0.565 128 T N 1.114 115.670 114.554 0.004 0.000 2.777 128 T HA -0.002 4.348 4.350 -0.000 0.000 0.266 128 T C 2.382 177.093 174.700 0.018 0.000 1.040 128 T CA 0.778 62.888 62.100 0.017 0.000 1.141 128 T CB -0.176 68.703 68.868 0.018 0.000 0.868 128 T HN 0.178 nan 8.240 nan 0.000 0.444 129 L N 0.488 121.722 121.223 0.018 0.000 2.201 129 L HA 0.047 4.387 4.340 -0.000 0.000 0.212 129 L C 2.019 178.928 176.870 0.064 0.000 1.105 129 L CA 0.851 55.756 54.840 0.108 0.000 0.775 129 L CB -0.441 41.777 42.059 0.265 0.000 0.913 129 L HN 0.267 nan 8.230 nan 0.000 0.440 130 L N -0.902 120.259 121.223 -0.104 0.000 2.558 130 L HA 0.158 4.498 4.340 -0.000 0.000 0.225 130 L C 1.516 178.342 176.870 -0.074 0.000 1.128 130 L CA 0.650 55.382 54.840 -0.180 0.000 0.868 130 L CB -0.232 41.611 42.059 -0.361 0.000 1.006 130 L HN 0.432 nan 8.230 nan 0.000 0.454 131 G N -0.409 108.383 108.800 -0.013 0.000 2.179 131 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.220 131 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.220 131 G C 0.536 175.475 174.900 0.065 0.000 0.990 131 G CA -0.351 44.776 45.100 0.045 0.000 0.646 131 G HN 0.483 nan 8.290 nan 0.000 0.517 132 G N -0.402 108.392 108.800 -0.011 0.000 2.467 132 G HA2 0.586 4.546 3.960 -0.000 0.000 0.257 132 G HA3 0.586 4.546 3.960 -0.000 0.000 0.257 132 G C 0.202 175.111 174.900 0.016 0.000 1.227 132 G CA 0.361 45.422 45.100 -0.064 0.000 0.835 132 G HN 1.307 nan 8.290 nan 0.000 0.556 133 H N -1.471 117.596 119.070 -0.004 0.000 3.182 133 H HA 0.391 4.947 4.556 -0.000 0.000 0.254 133 H C 0.367 175.691 175.328 -0.007 0.000 1.197 133 H CA -0.738 55.307 56.048 -0.005 0.000 1.061 133 H CB -0.010 29.755 29.762 0.005 0.000 1.722 133 H HN 0.274 nan 8.280 nan 0.000 0.662 134 K N 1.301 121.599 120.400 -0.171 0.000 2.414 134 K HA 0.058 4.378 4.320 -0.000 0.000 0.272 134 K C 0.609 177.176 176.600 -0.056 0.000 0.993 134 K CA 0.306 56.536 56.287 -0.095 0.000 0.964 134 K CB 0.687 33.124 32.500 -0.105 0.000 0.925 134 K HN 0.482 nan 8.250 nan 0.000 0.487 135 E N 1.042 121.220 120.200 -0.035 0.000 2.490 135 E HA -0.004 4.346 4.350 -0.000 0.000 0.209 135 E C -0.465 176.102 176.600 -0.055 0.000 0.971 135 E CA 0.017 56.392 56.400 -0.041 0.000 0.988 135 E CB 0.626 30.317 29.700 -0.015 0.000 1.029 135 E HN 0.571 nan 8.360 nan 0.000 0.496 136 Q N 0.347 120.118 119.800 -0.048 0.000 2.377 136 Q HA 0.511 4.851 4.340 -0.000 0.000 0.279 136 Q C -0.770 175.207 176.000 -0.038 0.000 1.049 136 Q CA -1.004 54.771 55.803 -0.047 0.000 0.825 136 Q CB 2.191 30.911 28.738 -0.030 0.000 1.401 136 Q HN -0.032 nan 8.270 nan 0.000 0.404 137 V N -1.593 118.300 119.914 -0.034 0.000 2.628 137 V HA 0.547 4.666 4.120 -0.000 0.000 0.306 137 V C -0.395 175.713 176.094 0.023 0.000 1.045 137 V CA -0.746 61.547 62.300 -0.012 0.000 0.905 137 V CB 1.679 33.476 31.823 -0.044 0.000 0.997 137 V HN 0.867 nan 8.190 nan 0.000 0.436 138 E N 2.750 122.980 120.200 0.049 0.000 2.338 138 E HA 0.515 4.865 4.350 -0.000 0.000 0.272 138 E C -0.416 176.240 176.600 0.092 0.000 1.029 138 E CA -0.322 56.115 56.400 0.061 0.000 0.872 138 E CB 1.876 31.613 29.700 0.061 0.000 1.015 138 E HN 0.949 nan 8.360 nan 0.000 0.417 139 V N -0.559 119.422 119.914 0.111 0.000 2.876 139 V HA 0.857 4.976 4.120 -0.000 0.000 0.312 139 V C 0.085 176.299 176.094 0.200 0.000 1.085 139 V CA -0.662 61.732 62.300 0.157 0.000 0.945 139 V CB 1.703 33.644 31.823 0.197 0.000 1.017 139 V HN 0.708 nan 8.190 nan 0.000 0.428 140 G N 0.852 109.708 108.800 0.093 0.000 2.990 140 G HA2 0.767 4.727 3.960 -0.000 0.000 0.208 140 G HA3 0.767 4.727 3.960 -0.000 0.000 0.208 140 G C -1.079 173.688 174.900 -0.222 0.000 1.334 140 G CA -0.632 44.468 45.100 0.000 0.000 1.024 140 G HN 1.492 nan 8.290 nan 0.000 0.574 141 V N -0.125 119.572 119.914 -0.361 0.000 2.851 141 V HA 0.624 4.744 4.120 -0.000 0.000 0.307 141 V C -0.733 175.145 176.094 -0.359 0.000 1.129 141 V CA -0.505 61.484 62.300 -0.518 0.000 0.932 141 V CB 2.235 33.471 31.823 -0.977 0.000 1.024 141 V HN 1.214 nan 8.190 nan 0.000 0.426 142 S N 7.053 122.594 115.700 -0.265 0.000 2.437 142 S HA 0.811 5.280 4.470 -0.000 0.000 0.305 142 S C -0.880 173.599 174.600 -0.202 0.000 1.109 142 S CA -0.714 57.382 58.200 -0.173 0.000 1.099 142 S CB 1.233 64.407 63.200 -0.043 0.000 1.004 142 S HN 0.644 nan 8.310 nan 0.000 0.475 143 L N 3.047 124.167 121.223 -0.172 0.000 2.322 143 L HA 0.636 4.975 4.340 -0.000 0.000 0.281 143 L C 1.189 178.032 176.870 -0.045 0.000 1.014 143 L CA -1.018 53.736 54.840 -0.142 0.000 0.815 143 L CB 1.306 43.277 42.059 -0.146 0.000 1.247 143 L HN 0.944 nan 8.230 nan 0.000 0.421 144 G N 2.946 111.731 108.800 -0.024 0.000 2.661 144 G HA2 0.203 4.163 3.960 -0.000 0.000 0.272 144 G HA3 0.203 4.163 3.960 -0.000 0.000 0.272 144 G C 0.186 175.122 174.900 0.060 0.000 1.296 144 G CA -0.666 44.448 45.100 0.024 0.000 0.998 144 G HN 0.530 nan 8.290 nan 0.000 0.553 145 I N -0.093 120.530 120.570 0.088 0.000 2.496 145 I HA 0.147 4.317 4.170 -0.000 0.000 0.285 145 I C 0.057 176.256 176.117 0.138 0.000 1.080 145 I CA -0.430 60.963 61.300 0.154 0.000 1.404 145 I CB 0.867 38.962 38.000 0.158 0.000 1.403 145 I HN 0.196 nan 8.210 nan 0.000 0.539 146 Q N 3.403 123.354 119.800 0.252 0.000 2.215 146 Q HA 0.516 4.856 4.340 -0.000 0.000 0.256 146 Q C 0.537 176.546 176.000 0.015 0.000 0.972 146 Q CA -0.469 55.442 55.803 0.181 0.000 0.889 146 Q CB 1.949 30.828 28.738 0.234 0.000 1.281 146 Q HN 0.758 nan 8.270 nan 0.000 0.456 147 A N 1.214 123.995 122.820 -0.064 0.000 2.021 147 A HA 0.120 4.440 4.320 -0.000 0.000 0.216 147 A C -0.142 177.256 177.584 -0.310 0.000 1.163 147 A CA 1.536 53.439 52.037 -0.223 0.000 0.676 147 A CB -0.022 18.902 19.000 -0.126 0.000 0.818 147 A HN 0.754 nan 8.150 nan 0.000 0.453 148 D N -4.892 115.458 120.400 -0.084 0.000 2.692 148 D HA 0.156 4.796 4.640 -0.000 0.000 0.290 148 D C 0.362 176.849 176.300 0.313 0.000 1.281 148 D CA -0.017 53.999 54.000 0.028 0.000 0.804 148 D CB 0.029 40.818 40.800 -0.019 0.000 1.331 148 D HN -0.153 nan 8.370 nan 0.000 0.432 149 c N -0.645 118.185 118.600 0.383 0.000 2.401 149 c HA -0.139 4.431 4.570 -0.000 0.000 0.276 149 c C 2.372 176.545 174.090 0.138 0.000 1.233 149 c CA 1.729 58.205 56.329 0.244 0.000 1.753 149 c CB -1.027 41.579 42.510 0.160 0.000 2.029 149 c HN 0.704 nan 8.230 nan 0.000 0.478 150 Q N 1.053 120.914 119.800 0.101 0.000 2.020 150 Q HA -0.051 4.289 4.340 -0.000 0.000 0.202 150 Q C 2.249 178.293 176.000 0.075 0.000 0.982 150 Q CA 2.498 58.340 55.803 0.065 0.000 0.838 150 Q CB -0.654 28.108 28.738 0.039 0.000 0.899 150 Q HN 0.593 nan 8.270 nan 0.000 0.423 151 A N -0.620 122.245 122.820 0.075 0.000 1.883 151 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 151 A C 2.339 179.983 177.584 0.100 0.000 1.186 151 A CA 2.148 54.227 52.037 0.069 0.000 0.624 151 A CB -1.280 17.747 19.000 0.046 0.000 0.822 151 A HN 0.512 nan 8.150 nan 0.000 0.444 152 T N -0.061 114.581 114.554 0.146 0.000 2.597 152 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 152 T C 1.807 176.588 174.700 0.135 0.000 1.053 152 T CA 1.965 64.163 62.100 0.163 0.000 1.165 152 T CB -0.618 68.381 68.868 0.219 0.000 0.863 152 T HN 0.165 nan 8.240 nan 0.000 0.427 153 V N 1.842 121.844 119.914 0.146 0.000 2.688 153 V HA -0.164 3.956 4.120 -0.000 0.000 0.256 153 V C 2.158 178.371 176.094 0.199 0.000 1.084 153 V CA 1.577 64.000 62.300 0.205 0.000 1.103 153 V CB -0.680 31.244 31.823 0.168 0.000 0.688 153 V HN 0.432 nan 8.190 nan 0.000 0.480 154 D N -0.062 120.414 120.400 0.126 0.000 2.077 154 D HA -0.120 4.520 4.640 -0.000 0.000 0.196 154 D C 1.910 178.260 176.300 0.082 0.000 0.986 154 D CA 1.017 55.073 54.000 0.094 0.000 0.829 154 D CB -0.377 40.459 40.800 0.059 0.000 0.983 154 D HN 0.349 nan 8.370 nan 0.000 0.453 155 L N 0.473 121.747 121.223 0.085 0.000 2.191 155 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 155 L C 1.992 178.969 176.870 0.177 0.000 1.103 155 L CA 1.093 55.997 54.840 0.107 0.000 0.769 155 L CB -0.092 42.030 42.059 0.105 0.000 0.908 155 L HN -0.117 nan 8.230 nan 0.000 0.438 156 V N -0.442 119.540 119.914 0.113 0.000 2.302 156 V HA -0.216 3.903 4.120 -0.000 0.000 0.243 156 V C 2.672 178.724 176.094 -0.069 0.000 1.036 156 V CA 1.837 64.151 62.300 0.024 0.000 1.020 156 V CB -0.614 31.188 31.823 -0.035 0.000 0.657 156 V HN 0.504 nan 8.190 nan 0.000 0.453 157 R N 0.111 120.650 120.500 0.065 0.000 2.117 157 R HA -0.233 4.107 4.340 -0.000 0.000 0.243 157 R C 2.442 178.760 176.300 0.031 0.000 1.143 157 R CA 1.945 58.145 56.100 0.167 0.000 0.968 157 R CB -0.306 30.230 30.300 0.393 0.000 0.863 157 R HN 0.369 nan 8.270 nan 0.000 0.444 158 R N -1.043 119.444 120.500 -0.021 0.000 2.091 158 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 158 R C 1.794 177.960 176.300 -0.223 0.000 1.136 158 R CA 2.193 58.205 56.100 -0.147 0.000 0.959 158 R CB -0.148 30.003 30.300 -0.247 0.000 0.856 158 R HN 0.484 nan 8.270 nan 0.000 0.437 159 H N -1.556 117.508 119.070 -0.010 0.000 2.497 159 H HA 0.030 4.585 4.556 -0.000 0.000 0.282 159 H C 1.916 177.275 175.328 0.051 0.000 1.003 159 H CA 0.925 57.017 56.048 0.074 0.000 1.307 159 H CB 0.363 30.120 29.762 -0.008 0.000 1.437 159 H HN -0.049 nan 8.280 nan 0.000 0.544 160 V N 0.906 120.809 119.914 -0.019 0.000 2.358 160 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 160 V C 1.715 177.788 176.094 -0.034 0.000 1.047 160 V CA 1.862 64.098 62.300 -0.105 0.000 1.035 160 V CB -0.307 31.280 31.823 -0.393 0.000 0.658 160 V HN 0.493 nan 8.190 nan 0.000 0.452 161 E N -0.315 119.875 120.200 -0.016 0.000 2.409 161 E HA -0.177 4.173 4.350 -0.000 0.000 0.198 161 E C 1.997 178.573 176.600 -0.041 0.000 1.024 161 E CA 0.455 56.849 56.400 -0.010 0.000 0.861 161 E CB -0.044 29.659 29.700 0.004 0.000 0.788 161 E HN 0.524 nan 8.360 nan 0.000 0.521 162 Q N -0.744 119.028 119.800 -0.047 0.000 2.403 162 Q HA 0.049 4.389 4.340 -0.000 0.000 0.203 162 Q C 1.243 177.112 176.000 -0.219 0.000 0.932 162 Q CA 0.749 56.481 55.803 -0.119 0.000 0.945 162 Q CB 1.079 29.763 28.738 -0.090 0.000 1.045 162 Q HN 0.420 nan 8.270 nan 0.000 0.511 163 G N 0.356 109.078 108.800 -0.131 0.000 2.141 163 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.242 163 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.242 163 G C -0.187 174.626 174.900 -0.144 0.000 0.982 163 G CA -0.164 44.855 45.100 -0.135 0.000 0.662 163 G HN 0.355 nan 8.290 nan 0.000 0.527 164 Y N 0.406 120.691 120.300 -0.026 0.000 2.712 164 Y HA 0.209 4.759 4.550 -0.000 0.000 0.333 164 Y C 2.126 177.992 175.900 -0.057 0.000 1.225 164 Y CA 0.430 58.511 58.100 -0.032 0.000 1.499 164 Y CB 0.444 38.889 38.460 -0.025 0.000 1.288 164 Y HN 0.126 nan 8.280 nan 0.000 0.575 165 R N 1.794 122.368 120.500 0.122 0.000 2.317 165 R HA 0.118 4.458 4.340 -0.000 0.000 0.208 165 R C 0.288 176.579 176.300 -0.015 0.000 0.914 165 R CA 0.171 56.290 56.100 0.032 0.000 1.060 165 R CB 0.378 30.693 30.300 0.026 0.000 1.015 165 R HN 0.405 nan 8.270 nan 0.000 0.498 166 R N 1.201 121.681 120.500 -0.033 0.000 2.566 166 R HA 0.223 4.563 4.340 -0.000 0.000 0.271 166 R C -1.791 174.419 176.300 -0.150 0.000 1.071 166 R CA -0.548 55.480 56.100 -0.121 0.000 0.915 166 R CB 1.421 31.612 30.300 -0.182 0.000 1.228 166 R HN -0.099 nan 8.270 nan 0.000 0.449 167 I N 3.961 124.422 120.570 -0.181 0.000 2.339 167 I HA 0.374 4.543 4.170 -0.000 0.000 0.290 167 I C 0.206 176.193 176.117 -0.215 0.000 0.994 167 I CA -0.533 60.646 61.300 -0.201 0.000 1.191 167 I CB 1.374 39.257 38.000 -0.195 0.000 1.343 167 I HN 0.472 nan 8.210 nan 0.000 0.458 168 K N 7.709 127.982 120.400 -0.211 0.000 2.274 168 K HA 0.661 4.981 4.320 -0.000 0.000 0.262 168 K C -1.566 174.965 176.600 -0.114 0.000 0.961 168 K CA -0.543 55.642 56.287 -0.170 0.000 0.833 168 K CB 1.310 33.719 32.500 -0.152 0.000 1.102 168 K HN 0.532 nan 8.250 nan 0.000 0.436 169 L N 3.727 124.901 121.223 -0.080 0.000 2.322 169 L HA 0.427 4.766 4.340 -0.000 0.000 0.281 169 L C -0.094 176.786 176.870 0.016 0.000 1.014 169 L CA -1.259 53.559 54.840 -0.036 0.000 0.815 169 L CB 1.487 43.517 42.059 -0.050 0.000 1.247 169 L HN 0.530 nan 8.230 nan 0.000 0.421 170 K N 3.127 123.557 120.400 0.051 0.000 2.380 170 K HA 0.462 4.781 4.320 -0.000 0.000 0.267 170 K C -0.412 176.260 176.600 0.120 0.000 0.990 170 K CA 0.291 56.638 56.287 0.099 0.000 0.946 170 K CB 0.513 33.077 32.500 0.106 0.000 0.937 170 K HN 0.571 nan 8.250 nan 0.000 0.491 171 I N -2.372 118.296 120.570 0.162 0.000 3.195 171 I HA 0.581 4.751 4.170 -0.000 0.000 0.313 171 I C -1.378 174.882 176.117 0.238 0.000 1.237 171 I CA -1.128 60.290 61.300 0.195 0.000 0.963 171 I CB 2.478 40.573 38.000 0.158 0.000 1.278 171 I HN 0.520 nan 8.210 nan 0.000 0.460 172 K N 1.221 121.764 120.400 0.238 0.000 2.508 172 K HA 0.655 4.975 4.320 -0.000 0.000 0.260 172 K C -3.268 173.390 176.600 0.096 0.000 0.949 172 K CA -1.854 54.497 56.287 0.107 0.000 0.834 172 K CB 1.907 34.477 32.500 0.117 0.000 1.365 172 K HN 0.239 nan 8.250 nan 0.000 0.437 173 P HA -0.017 nan 4.420 nan 0.000 0.262 173 P C 0.657 178.012 177.300 0.092 0.000 1.182 173 P CA 1.683 64.766 63.100 -0.029 0.000 0.761 173 P CB 0.574 32.172 31.700 -0.171 0.000 0.795 174 G N 2.228 111.120 108.800 0.154 0.000 2.420 174 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.221 174 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.221 174 G C -0.359 174.731 174.900 0.316 0.000 1.117 174 G CA -0.276 44.937 45.100 0.187 0.000 0.657 174 G HN 0.584 nan 8.290 nan 0.000 0.512 175 W N 2.754 124.090 121.300 0.060 0.000 2.406 175 W HA 0.507 5.167 4.660 -0.000 0.000 0.308 175 W C 0.207 176.781 176.519 0.092 0.000 0.965 175 W CA 0.315 57.697 57.345 0.061 0.000 1.589 175 W CB 0.482 29.967 29.460 0.042 0.000 1.417 175 W HN 0.507 nan 8.180 nan 0.000 0.415 176 D N -0.036 120.285 120.400 -0.132 0.000 2.181 176 D HA -0.060 4.580 4.640 -0.000 0.000 0.282 176 D C 1.379 177.560 176.300 -0.198 0.000 1.244 176 D CA -0.021 53.893 54.000 -0.143 0.000 1.190 176 D CB 0.181 41.024 40.800 0.072 0.000 1.845 176 D HN -0.035 nan 8.370 nan 0.000 0.485 177 V N 0.641 120.496 119.914 -0.098 0.000 2.515 177 V HA -0.158 3.962 4.120 -0.000 0.000 0.250 177 V C 2.168 178.188 176.094 -0.123 0.000 1.058 177 V CA 1.883 64.176 62.300 -0.011 0.000 1.064 177 V CB -0.695 31.169 31.823 0.069 0.000 0.675 177 V HN 0.141 nan 8.190 nan 0.000 0.461 178 Q N -0.129 119.490 119.800 -0.303 0.000 2.061 178 Q HA -0.019 4.321 4.340 -0.000 0.000 0.195 178 Q C -0.072 175.638 176.000 -0.483 0.000 0.967 178 Q CA 1.446 57.050 55.803 -0.332 0.000 0.829 178 Q CB -1.234 27.387 28.738 -0.195 0.000 0.900 178 Q HN 0.497 nan 8.270 nan 0.000 0.450 179 P HA -0.187 nan 4.420 nan 0.000 0.217 179 P C 1.184 178.272 177.300 -0.353 0.000 1.151 179 P CA 1.349 64.101 63.100 -0.579 0.000 0.849 179 P CB -0.007 31.222 31.700 -0.785 0.000 0.787 180 V N 0.273 119.970 119.914 -0.362 0.000 2.453 180 V HA -0.135 3.985 4.120 -0.000 0.000 0.247 180 V C 2.915 178.676 176.094 -0.554 0.000 1.048 180 V CA 1.535 63.660 62.300 -0.291 0.000 1.049 180 V CB -1.092 30.666 31.823 -0.109 0.000 0.672 180 V HN 0.071 nan 8.190 nan 0.000 0.457 181 R N 0.379 120.395 120.500 -0.806 0.000 2.075 181 R HA -0.176 4.164 4.340 -0.000 0.000 0.232 181 R C 2.460 178.464 176.300 -0.495 0.000 1.126 181 R CA 2.193 57.641 56.100 -1.087 0.000 0.963 181 R CB -0.434 29.418 30.300 -0.748 0.000 0.858 181 R HN 0.738 nan 8.270 nan 0.000 0.435 182 c N -1.532 116.885 118.600 -0.304 0.000 2.518 182 c HA 0.136 4.705 4.570 -0.000 0.000 0.279 182 c C 2.569 176.592 174.090 -0.111 0.000 1.279 182 c CA 0.759 56.991 56.329 -0.163 0.000 1.703 182 c CB -1.054 41.405 42.510 -0.086 0.000 2.072 182 c HN 0.341 nan 8.230 nan 0.000 0.487 183 T N 1.250 115.755 114.554 -0.081 0.000 2.685 183 T HA -0.256 4.094 4.350 -0.000 0.000 0.268 183 T C 2.064 176.790 174.700 0.043 0.000 1.034 183 T CA 2.633 64.756 62.100 0.038 0.000 1.149 183 T CB -0.483 68.385 68.868 0.001 0.000 0.860 183 T HN 0.596 nan 8.240 nan 0.000 0.449 184 R N 1.100 121.544 120.500 -0.094 0.000 2.115 184 R HA 0.026 4.366 4.340 -0.000 0.000 0.226 184 R C 2.082 178.349 176.300 -0.054 0.000 1.100 184 R CA 1.474 57.532 56.100 -0.070 0.000 0.980 184 R CB -0.251 29.963 30.300 -0.144 0.000 0.875 184 R HN 0.510 nan 8.270 nan 0.000 0.445 185 E N -0.723 119.413 120.200 -0.106 0.000 2.060 185 E HA 0.042 4.392 4.350 -0.000 0.000 0.189 185 E C 1.841 178.371 176.600 -0.116 0.000 0.974 185 E CA 0.862 57.208 56.400 -0.090 0.000 0.808 185 E CB -0.147 29.493 29.700 -0.100 0.000 0.768 185 E HN 0.389 nan 8.360 nan 0.000 0.453 186 A N 0.460 123.189 122.820 -0.152 0.000 2.070 186 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 186 A C 0.708 177.927 177.584 -0.607 0.000 1.159 186 A CA 1.018 52.861 52.037 -0.322 0.000 0.656 186 A CB -0.170 18.666 19.000 -0.272 0.000 0.800 186 A HN 0.215 nan 8.150 nan 0.000 0.453 187 F N -1.786 118.137 119.950 -0.046 0.000 2.646 187 F HA 0.309 4.835 4.527 -0.000 0.000 0.336 187 F C -1.978 173.799 175.800 -0.038 0.000 1.437 187 F CA -1.606 56.372 58.000 -0.037 0.000 1.142 187 F CB 1.464 40.444 39.000 -0.034 0.000 1.530 187 F HN -0.005 nan 8.300 nan 0.000 0.591 188 P HA -0.200 nan 4.420 nan 0.000 0.218 188 P C 0.543 177.879 177.300 0.060 0.000 1.154 188 P CA 1.770 64.898 63.100 0.047 0.000 0.872 188 P CB 0.282 31.993 31.700 0.019 0.000 0.790 189 D N -2.182 118.265 120.400 0.078 0.000 2.469 189 D HA 0.116 4.755 4.640 -0.000 0.000 0.213 189 D C 0.771 177.091 176.300 0.034 0.000 1.135 189 D CA -0.201 53.828 54.000 0.049 0.000 0.834 189 D CB -0.326 40.499 40.800 0.042 0.000 1.009 189 D HN 0.248 nan 8.370 nan 0.000 0.507 190 I N -1.159 119.435 120.570 0.039 0.000 2.892 190 I HA 0.116 4.286 4.170 -0.000 0.000 0.287 190 I C 0.582 176.673 176.117 -0.044 0.000 1.205 190 I CA -0.609 60.680 61.300 -0.018 0.000 1.409 190 I CB 0.788 38.744 38.000 -0.074 0.000 1.367 190 I HN -0.249 nan 8.210 nan 0.000 0.597 191 R N 4.621 125.081 120.500 -0.066 0.000 2.421 191 R HA 0.366 4.706 4.340 -0.000 0.000 0.305 191 R C -1.308 174.903 176.300 -0.148 0.000 1.039 191 R CA -0.399 55.641 56.100 -0.101 0.000 1.003 191 R CB 0.466 30.705 30.300 -0.102 0.000 0.959 191 R HN 0.692 nan 8.270 nan 0.000 0.427 192 L N 4.092 125.215 121.223 -0.166 0.000 2.386 192 L HA 0.533 4.873 4.340 -0.000 0.000 0.271 192 L C -0.852 175.854 176.870 -0.273 0.000 0.993 192 L CA -0.067 54.661 54.840 -0.186 0.000 0.819 192 L CB 2.349 44.338 42.059 -0.116 0.000 1.294 192 L HN 0.877 nan 8.230 nan 0.000 0.414 193 T N 1.475 115.844 114.554 -0.310 0.000 2.864 193 T HA 0.774 5.124 4.350 -0.000 0.000 0.299 193 T C -0.771 173.803 174.700 -0.210 0.000 1.166 193 T CA -0.304 61.558 62.100 -0.396 0.000 1.007 193 T CB 1.382 69.756 68.868 -0.824 0.000 1.219 193 T HN 0.879 nan 8.240 nan 0.000 0.506 194 V N -0.935 118.903 119.914 -0.127 0.000 2.815 194 V HA 0.759 4.879 4.120 -0.000 0.000 0.314 194 V C -1.035 175.111 176.094 0.087 0.000 1.064 194 V CA -0.809 61.479 62.300 -0.019 0.000 0.952 194 V CB 1.820 33.637 31.823 -0.010 0.000 1.020 194 V HN 0.985 nan 8.190 nan 0.000 0.439 195 D N 3.093 123.564 120.400 0.119 0.000 2.443 195 D HA 0.558 5.197 4.640 -0.000 0.000 0.221 195 D C 0.867 177.279 176.300 0.185 0.000 1.097 195 D CA 0.126 54.238 54.000 0.188 0.000 0.865 195 D CB 1.505 42.417 40.800 0.188 0.000 1.034 195 D HN 0.917 nan 8.370 nan 0.000 0.511 196 A N 4.175 127.108 122.820 0.189 0.000 2.264 196 A HA -0.104 4.216 4.320 -0.000 0.000 0.207 196 A C 1.144 178.942 177.584 0.358 0.000 1.196 196 A CA 0.188 52.372 52.037 0.245 0.000 0.778 196 A CB -0.775 18.245 19.000 0.034 0.000 0.779 196 A HN 0.718 nan 8.150 nan 0.000 0.483 197 N N -0.407 118.453 118.700 0.267 0.000 2.689 197 N HA -0.245 4.495 4.740 -0.000 0.000 0.263 197 N C 0.312 175.971 175.510 0.248 0.000 0.987 197 N CA 1.226 54.419 53.050 0.239 0.000 0.782 197 N CB -1.856 36.748 38.487 0.196 0.000 0.903 197 N HN 0.640 nan 8.380 nan 0.000 0.547 198 S N -1.488 114.376 115.700 0.274 0.000 3.368 198 S HA -0.248 4.222 4.470 -0.000 0.000 0.381 198 S C 0.897 175.634 174.600 0.228 0.000 0.975 198 S CA 1.576 59.935 58.200 0.266 0.000 1.199 198 S CB -1.376 61.978 63.200 0.257 0.000 0.902 198 S HN 1.101 nan 8.310 nan 0.000 0.472 199 A N -0.337 122.626 122.820 0.237 0.000 2.551 199 A HA 0.536 4.855 4.320 -0.000 0.000 0.252 199 A C 0.182 177.769 177.584 0.004 0.000 1.199 199 A CA -0.159 51.931 52.037 0.089 0.000 0.972 199 A CB 0.339 19.338 19.000 -0.002 0.000 1.153 199 A HN 0.606 nan 8.150 nan 0.000 0.559 200 Y N 0.540 120.868 120.300 0.047 0.000 2.408 200 Y HA 0.572 5.122 4.550 -0.000 0.000 0.324 200 Y C 1.192 177.086 175.900 -0.009 0.000 1.302 200 Y CA 0.203 58.315 58.100 0.020 0.000 1.384 200 Y CB 0.850 39.317 38.460 0.012 0.000 1.367 200 Y HN 0.171 nan 8.280 nan 0.000 0.525 201 T N -3.028 111.625 114.554 0.165 0.000 2.864 201 T HA 0.361 4.711 4.350 -0.000 0.000 0.289 201 T C 0.523 175.248 174.700 0.042 0.000 1.082 201 T CA -0.858 61.277 62.100 0.060 0.000 1.009 201 T CB 0.681 69.568 68.868 0.032 0.000 1.234 201 T HN 0.581 nan 8.240 nan 0.000 0.526 202 L N 0.705 121.924 121.223 -0.007 0.000 2.189 202 L HA -0.088 4.252 4.340 -0.000 0.000 0.214 202 L C 3.108 179.983 176.870 0.007 0.000 1.097 202 L CA 1.663 56.493 54.840 -0.016 0.000 0.764 202 L CB -0.870 41.172 42.059 -0.028 0.000 0.900 202 L HN 0.962 nan 8.230 nan 0.000 0.436 203 A N -0.222 122.611 122.820 0.022 0.000 1.940 203 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 203 A C 1.708 179.322 177.584 0.049 0.000 1.176 203 A CA 1.854 53.909 52.037 0.029 0.000 0.631 203 A CB -0.406 18.612 19.000 0.029 0.000 0.814 203 A HN 0.423 nan 8.150 nan 0.000 0.446 204 D N 0.216 120.669 120.400 0.088 0.000 2.352 204 D HA 0.198 4.837 4.640 -0.000 0.000 0.232 204 D C 1.731 178.073 176.300 0.071 0.000 1.055 204 D CA 0.782 54.865 54.000 0.138 0.000 0.891 204 D CB -0.066 40.944 40.800 0.350 0.000 0.897 204 D HN 0.481 nan 8.370 nan 0.000 0.529 205 A N 0.974 123.807 122.820 0.022 0.000 2.019 205 A HA -0.045 4.274 4.320 -0.000 0.000 0.219 205 A C 2.335 179.909 177.584 -0.018 0.000 1.164 205 A CA 1.686 53.712 52.037 -0.017 0.000 0.644 205 A CB -0.680 18.308 19.000 -0.022 0.000 0.805 205 A HN 0.327 nan 8.150 nan 0.000 0.449 206 G N -0.791 108.010 108.800 0.002 0.000 2.396 206 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.214 206 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.214 206 G C 1.666 176.567 174.900 0.001 0.000 1.166 206 G CA 0.920 46.020 45.100 -0.001 0.000 0.793 206 G HN 0.457 nan 8.290 nan 0.000 0.533 207 R N 0.451 120.967 120.500 0.026 0.000 2.097 207 R HA 0.029 4.369 4.340 -0.000 0.000 0.236 207 R C 2.631 178.929 176.300 -0.003 0.000 1.135 207 R CA 1.271 57.395 56.100 0.040 0.000 0.934 207 R CB -0.938 29.426 30.300 0.107 0.000 0.846 207 R HN 0.394 nan 8.270 nan 0.000 0.431 208 L N -0.292 120.903 121.223 -0.047 0.000 2.127 208 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 208 L C 2.601 179.421 176.870 -0.084 0.000 1.089 208 L CA 1.533 56.306 54.840 -0.111 0.000 0.757 208 L CB -0.411 41.531 42.059 -0.194 0.000 0.899 208 L HN 0.218 nan 8.230 nan 0.000 0.434 209 R N 0.230 120.691 120.500 -0.066 0.000 2.241 209 R HA -0.165 4.175 4.340 -0.000 0.000 0.224 209 R C 2.064 178.307 176.300 -0.095 0.000 1.101 209 R CA 0.918 56.975 56.100 -0.071 0.000 0.995 209 R CB -0.010 30.256 30.300 -0.055 0.000 0.870 209 R HN 0.434 nan 8.270 nan 0.000 0.463 210 Q N -0.236 119.516 119.800 -0.081 0.000 2.515 210 Q HA -0.037 4.303 4.340 -0.000 0.000 0.212 210 Q C 1.194 177.098 176.000 -0.160 0.000 0.970 210 Q CA 0.591 56.332 55.803 -0.103 0.000 0.941 210 Q CB 0.272 28.993 28.738 -0.029 0.000 0.998 210 Q HN 0.398 nan 8.270 nan 0.000 0.518 211 L N -0.787 120.362 121.223 -0.125 0.000 2.585 211 L HA 0.033 4.373 4.340 -0.000 0.000 0.226 211 L C 1.017 177.777 176.870 -0.183 0.000 1.113 211 L CA -0.049 54.738 54.840 -0.089 0.000 0.876 211 L CB 0.189 42.234 42.059 -0.024 0.000 1.072 211 L HN 0.034 nan 8.230 nan 0.000 0.468 212 D N 0.972 121.246 120.400 -0.211 0.000 2.144 212 D HA -0.190 4.450 4.640 -0.000 0.000 0.199 212 D C 2.032 178.195 176.300 -0.228 0.000 0.984 212 D CA 1.176 55.075 54.000 -0.170 0.000 0.834 212 D CB 0.146 40.866 40.800 -0.134 0.000 0.955 212 D HN 0.474 nan 8.370 nan 0.000 0.465 213 E N -0.375 119.566 120.200 -0.432 0.000 2.153 213 E HA -0.207 4.142 4.350 -0.000 0.000 0.194 213 E C 0.626 177.056 176.600 -0.284 0.000 0.988 213 E CA 0.798 56.928 56.400 -0.451 0.000 0.811 213 E CB -0.490 28.792 29.700 -0.697 0.000 0.746 213 E HN 0.388 nan 8.360 nan 0.000 0.466 214 Y N 1.964 122.239 120.300 -0.041 0.000 2.627 214 Y HA 0.124 4.674 4.550 -0.000 0.000 0.339 214 Y C -0.274 175.596 175.900 -0.051 0.000 1.137 214 Y CA -1.115 56.957 58.100 -0.046 0.000 1.361 214 Y CB -0.974 37.452 38.460 -0.058 0.000 1.180 214 Y HN -0.097 nan 8.280 nan 0.000 0.512 215 D N 1.196 121.627 120.400 0.052 0.000 2.903 215 D HA -0.229 4.410 4.640 -0.000 0.000 0.210 215 D C -0.113 176.180 176.300 -0.012 0.000 1.263 215 D CA 0.802 54.808 54.000 0.011 0.000 0.661 215 D CB -0.509 40.298 40.800 0.012 0.000 0.936 215 D HN 0.401 nan 8.370 nan 0.000 0.392 216 L N 0.307 121.512 121.223 -0.029 0.000 2.397 216 L HA 0.053 4.393 4.340 -0.000 0.000 0.271 216 L C 2.183 178.987 176.870 -0.109 0.000 1.148 216 L CA -0.450 54.333 54.840 -0.095 0.000 0.825 216 L CB 0.636 42.636 42.059 -0.097 0.000 1.117 216 L HN 0.006 nan 8.230 nan 0.000 0.456 217 T N 0.889 115.320 114.554 -0.206 0.000 2.788 217 T HA -0.095 4.254 4.350 -0.000 0.000 0.268 217 T C -0.287 174.413 174.700 0.000 0.000 1.044 217 T CA 1.501 63.516 62.100 -0.142 0.000 1.139 217 T CB -0.238 68.482 68.868 -0.248 0.000 0.867 217 T HN 0.622 nan 8.240 nan 0.000 0.454 218 Y N -1.965 118.332 120.300 -0.005 0.000 2.702 218 Y HA 0.632 5.182 4.550 -0.000 0.000 0.336 218 Y C -1.857 174.057 175.900 0.023 0.000 1.203 218 Y CA -2.220 55.895 58.100 0.025 0.000 1.072 218 Y CB 0.614 39.120 38.460 0.077 0.000 1.327 218 Y HN -0.141 nan 8.280 nan 0.000 0.456 219 I N 2.034 122.755 120.570 0.250 0.000 2.362 219 I HA 0.300 4.469 4.170 -0.000 0.000 0.289 219 I C -0.497 175.784 176.117 0.275 0.000 0.994 219 I CA -0.593 60.812 61.300 0.175 0.000 1.158 219 I CB 1.760 39.791 38.000 0.051 0.000 1.315 219 I HN 0.675 nan 8.210 nan 0.000 0.451 220 E N 5.819 126.213 120.200 0.325 0.000 2.194 220 E HA 0.110 4.460 4.350 -0.000 0.000 0.284 220 E C -0.260 176.477 176.600 0.228 0.000 1.035 220 E CA -0.553 56.031 56.400 0.306 0.000 0.836 220 E CB 0.641 30.581 29.700 0.402 0.000 1.070 220 E HN 0.443 nan 8.360 nan 0.000 0.401 221 Q N 3.725 123.640 119.800 0.193 0.000 2.426 221 Q HA -0.170 4.170 4.340 -0.000 0.000 0.359 221 Q C -2.036 174.151 176.000 0.311 0.000 1.381 221 Q CA 0.665 56.615 55.803 0.246 0.000 1.060 221 Q CB -0.276 28.577 28.738 0.193 0.000 1.253 221 Q HN 0.514 nan 8.270 nan 0.000 0.363 222 P HA -0.122 nan 4.420 nan 0.000 0.217 222 P C 0.345 177.753 177.300 0.179 0.000 1.151 222 P CA 1.119 64.300 63.100 0.135 0.000 0.828 222 P CB 0.281 31.937 31.700 -0.072 0.000 0.788 223 L N -1.223 120.029 121.223 0.047 0.000 2.805 223 L HA 0.606 4.946 4.340 -0.000 0.000 0.242 223 L C 0.863 177.817 176.870 0.141 0.000 1.180 223 L CA -1.615 53.173 54.840 -0.086 0.000 1.001 223 L CB -0.547 41.204 42.059 -0.513 0.000 1.864 223 L HN -0.238 nan 8.230 nan 0.000 0.551 224 A N 0.496 123.359 122.820 0.071 0.000 2.561 224 A HA -0.064 4.255 4.320 -0.000 0.000 0.234 224 A C 0.954 178.589 177.584 0.085 0.000 1.055 224 A CA -0.032 52.047 52.037 0.070 0.000 0.756 224 A CB -0.234 18.728 19.000 -0.064 0.000 0.986 224 A HN 0.879 nan 8.150 nan 0.000 0.505 225 W N 2.551 123.881 121.300 0.050 0.000 2.331 225 W HA -0.202 4.458 4.660 -0.000 0.000 0.291 225 W C 0.035 176.538 176.519 -0.027 0.000 1.214 225 W CA 1.513 58.852 57.345 -0.009 0.000 1.228 225 W CB -0.689 28.718 29.460 -0.088 0.000 1.135 225 W HN 0.758 nan 8.180 nan 0.000 0.537 226 D N 0.029 119.857 120.400 -0.952 0.000 2.368 226 D HA 0.048 4.688 4.640 -0.000 0.000 0.218 226 D C -0.611 175.443 176.300 -0.410 0.000 1.112 226 D CA -0.247 53.221 54.000 -0.887 0.000 0.834 226 D CB -0.660 39.231 40.800 -1.516 0.000 0.953 226 D HN 0.154 nan 8.370 nan 0.000 0.505 227 D N -0.206 120.069 120.400 -0.208 0.000 2.210 227 D HA 0.311 4.951 4.640 -0.000 0.000 0.249 227 D C 0.778 177.093 176.300 0.026 0.000 1.062 227 D CA -0.562 53.408 54.000 -0.050 0.000 0.891 227 D CB 1.420 42.251 40.800 0.053 0.000 1.186 227 D HN -0.067 nan 8.370 nan 0.000 0.432 228 L N 2.798 124.021 121.223 -0.000 0.000 2.600 228 L HA 0.104 4.444 4.340 -0.000 0.000 0.213 228 L C 2.067 178.966 176.870 0.049 0.000 1.045 228 L CA -0.189 54.650 54.840 -0.001 0.000 0.863 228 L CB -0.138 41.881 42.059 -0.068 0.000 1.189 228 L HN 0.374 nan 8.230 nan 0.000 0.484 229 V N 0.622 120.544 119.914 0.014 0.000 2.255 229 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 229 V C 2.014 178.111 176.094 0.006 0.000 1.051 229 V CA 2.195 64.496 62.300 0.001 0.000 1.018 229 V CB -0.406 31.406 31.823 -0.018 0.000 0.641 229 V HN 0.408 nan 8.190 nan 0.000 0.445 230 D N -1.230 119.166 120.400 -0.007 0.000 2.178 230 D HA -0.143 4.497 4.640 -0.000 0.000 0.202 230 D C 2.043 178.300 176.300 -0.071 0.000 0.974 230 D CA 1.289 55.256 54.000 -0.055 0.000 0.841 230 D CB -0.349 40.389 40.800 -0.103 0.000 0.953 230 D HN 0.588 nan 8.370 nan 0.000 0.478 231 H N 0.409 119.458 119.070 -0.035 0.000 2.353 231 H HA 0.012 4.567 4.556 -0.001 0.000 0.300 231 H C 2.051 177.359 175.328 -0.034 0.000 1.090 231 H CA 1.603 57.631 56.048 -0.033 0.000 1.327 231 H CB -0.045 29.694 29.762 -0.039 0.000 1.383 231 H HN 0.120 nan 8.280 nan 0.000 0.508 232 A N 0.681 123.550 122.820 0.081 0.000 1.877 232 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 232 A C 2.230 179.819 177.584 0.009 0.000 1.186 232 A CA 1.851 53.904 52.037 0.027 0.000 0.620 232 A CB -0.391 18.613 19.000 0.006 0.000 0.822 232 A HN 0.402 nan 8.150 nan 0.000 0.443 233 E N -0.058 120.141 120.200 -0.002 0.000 2.038 233 E HA -0.205 4.144 4.350 -0.000 0.000 0.195 233 E C 1.810 178.399 176.600 -0.018 0.000 1.000 233 E CA 1.597 57.989 56.400 -0.013 0.000 0.803 233 E CB -0.541 29.146 29.700 -0.021 0.000 0.750 233 E HN 0.419 nan 8.360 nan 0.000 0.448 234 L N 0.295 121.501 121.223 -0.029 0.000 2.046 234 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 234 L C 2.213 179.073 176.870 -0.016 0.000 1.077 234 L CA 2.320 57.138 54.840 -0.036 0.000 0.747 234 L CB -0.995 41.020 42.059 -0.074 0.000 0.896 234 L HN 0.194 nan 8.230 nan 0.000 0.432 235 A N -0.541 122.282 122.820 0.005 0.000 2.024 235 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 235 A C 2.378 179.962 177.584 -0.000 0.000 1.164 235 A CA 1.728 53.771 52.037 0.009 0.000 0.643 235 A CB -0.583 18.429 19.000 0.019 0.000 0.806 235 A HN 0.550 nan 8.150 nan 0.000 0.451 236 R N -0.951 119.547 120.500 -0.004 0.000 2.148 236 R HA 0.009 4.349 4.340 -0.000 0.000 0.223 236 R C 2.069 178.362 176.300 -0.011 0.000 1.088 236 R CA 1.166 57.262 56.100 -0.006 0.000 0.985 236 R CB -0.138 30.159 30.300 -0.006 0.000 0.880 236 R HN 0.480 nan 8.270 nan 0.000 0.451 237 R N 0.438 120.929 120.500 -0.015 0.000 2.246 237 R HA 0.168 4.508 4.340 -0.000 0.000 0.199 237 R C 0.896 177.181 176.300 -0.024 0.000 0.984 237 R CA 0.420 56.509 56.100 -0.020 0.000 1.015 237 R CB 0.173 30.459 30.300 -0.022 0.000 0.930 237 R HN 0.227 nan 8.270 nan 0.000 0.475 238 I N -3.381 117.175 120.570 -0.024 0.000 2.892 238 I HA 0.410 4.580 4.170 -0.000 0.000 0.306 238 I C 0.605 176.708 176.117 -0.022 0.000 1.078 238 I CA -1.105 60.177 61.300 -0.030 0.000 1.032 238 I CB 2.137 40.113 38.000 -0.039 0.000 1.229 238 I HN -0.315 nan 8.210 nan 0.000 0.435 239 R N 1.272 121.755 120.500 -0.029 0.000 2.140 239 R HA 0.133 4.473 4.340 -0.000 0.000 0.213 239 R C 0.321 176.614 176.300 -0.012 0.000 1.059 239 R CA 0.532 56.619 56.100 -0.022 0.000 1.000 239 R CB -0.475 29.806 30.300 -0.032 0.000 0.910 239 R HN 0.721 nan 8.270 nan 0.000 0.455 240 T N 4.277 118.820 114.554 -0.017 0.000 2.902 240 T HA 0.117 4.466 4.350 -0.000 0.000 0.301 240 T C -2.360 172.358 174.700 0.031 0.000 1.012 240 T CA -0.851 61.250 62.100 0.002 0.000 1.151 240 T CB 0.932 69.794 68.868 -0.010 0.000 0.946 240 T HN -0.011 nan 8.240 nan 0.000 0.542 241 P HA 0.121 nan 4.420 nan 0.000 0.266 241 P C -0.399 176.974 177.300 0.121 0.000 1.195 241 P CA -0.071 63.081 63.100 0.086 0.000 0.768 241 P CB 0.388 32.159 31.700 0.119 0.000 0.838 242 L N 2.717 123.994 121.223 0.090 0.000 2.334 242 L HA 0.427 4.767 4.340 -0.000 0.000 0.277 242 L C 0.409 177.321 176.870 0.071 0.000 1.075 242 L CA -0.604 54.299 54.840 0.105 0.000 0.804 242 L CB 1.296 43.415 42.059 0.100 0.000 1.174 242 L HN 0.443 nan 8.230 nan 0.000 0.438 243 C N 4.917 124.265 119.300 0.080 0.000 2.351 243 C HA 0.633 5.093 4.460 -0.000 0.000 0.326 243 C C -0.116 174.831 174.990 -0.071 0.000 1.272 243 C CA -0.696 58.291 59.018 -0.052 0.000 1.650 243 C CB 0.113 27.744 27.740 -0.182 0.000 2.257 243 C HN 0.690 nan 8.230 nan 0.000 0.505 244 L N 5.578 126.702 121.223 -0.165 0.000 2.322 244 L HA 0.491 4.830 4.340 -0.000 0.000 0.279 244 L C 0.447 177.209 176.870 -0.180 0.000 1.036 244 L CA -0.044 54.678 54.840 -0.196 0.000 0.807 244 L CB 1.367 43.272 42.059 -0.257 0.000 1.226 244 L HN 0.774 nan 8.230 nan 0.000 0.433 245 D N 0.538 120.876 120.400 -0.103 0.000 3.040 245 D HA -0.013 4.626 4.640 -0.000 0.000 0.221 245 D C 1.375 177.680 176.300 0.009 0.000 1.515 245 D CA 0.246 54.215 54.000 -0.051 0.000 1.379 245 D CB 0.234 41.067 40.800 0.055 0.000 0.992 245 D HN 0.495 nan 8.370 nan 0.000 0.234 246 E N 0.222 120.463 120.200 0.068 0.000 2.219 246 E HA -0.068 4.282 4.350 -0.000 0.000 0.198 246 E C 1.981 178.621 176.600 0.065 0.000 0.998 246 E CA 1.211 57.644 56.400 0.055 0.000 0.818 246 E CB -0.160 29.578 29.700 0.064 0.000 0.741 246 E HN 0.075 nan 8.360 nan 0.000 0.477 247 S N -0.401 115.286 115.700 -0.022 0.000 2.515 247 S HA 0.015 4.485 4.470 -0.000 0.000 0.231 247 S C 0.400 174.949 174.600 -0.084 0.000 0.987 247 S CA 0.240 58.387 58.200 -0.088 0.000 0.936 247 S CB 0.390 63.474 63.200 -0.194 0.000 0.766 247 S HN -0.038 nan 8.310 nan 0.000 0.528 248 V N 1.768 121.640 119.914 -0.070 0.000 2.284 248 V HA 0.553 4.673 4.120 -0.000 0.000 0.274 248 V C 0.379 176.455 176.094 -0.030 0.000 1.023 248 V CA -0.433 61.824 62.300 -0.071 0.000 0.808 248 V CB 0.724 32.479 31.823 -0.113 0.000 1.035 248 V HN 0.247 nan 8.190 nan 0.000 0.445 249 A N 3.691 126.507 122.820 -0.008 0.000 2.430 249 A HA 0.679 4.999 4.320 -0.000 0.000 0.243 249 A C 0.690 178.281 177.584 0.012 0.000 1.254 249 A CA 0.525 52.573 52.037 0.018 0.000 0.914 249 A CB 0.183 19.212 19.000 0.047 0.000 0.998 249 A HN 0.967 nan 8.150 nan 0.000 0.515 250 S N -3.383 112.315 115.700 -0.004 0.000 2.636 250 S HA 0.591 5.061 4.470 -0.000 0.000 0.266 250 S C 0.687 175.284 174.600 -0.005 0.000 1.147 250 S CA 0.084 58.286 58.200 0.003 0.000 0.815 250 S CB 0.787 63.994 63.200 0.011 0.000 1.119 250 S HN 1.022 nan 8.310 nan 0.000 0.470 251 A N 1.455 124.281 122.820 0.010 0.000 1.968 251 A HA 0.082 4.401 4.320 -0.000 0.000 0.217 251 A C 2.294 179.885 177.584 0.013 0.000 1.169 251 A CA 2.031 54.077 52.037 0.015 0.000 0.638 251 A CB -1.432 17.589 19.000 0.035 0.000 0.812 251 A HN 1.653 nan 8.150 nan 0.000 0.446 252 S N 0.280 115.987 115.700 0.012 0.000 2.402 252 S HA -0.167 4.303 4.470 -0.000 0.000 0.229 252 S C 1.357 175.948 174.600 -0.014 0.000 1.021 252 S CA 1.371 59.577 58.200 0.010 0.000 0.974 252 S CB -0.481 62.725 63.200 0.011 0.000 0.800 252 S HN 0.463 nan 8.310 nan 0.000 0.484 253 D N 2.630 123.014 120.400 -0.028 0.000 2.123 253 D HA 0.030 4.670 4.640 -0.000 0.000 0.196 253 D C 2.287 178.535 176.300 -0.088 0.000 0.992 253 D CA 1.560 55.527 54.000 -0.055 0.000 0.833 253 D CB -0.743 40.026 40.800 -0.053 0.000 0.954 253 D HN 0.560 nan 8.370 nan 0.000 0.455 254 A N 1.021 123.791 122.820 -0.084 0.000 1.902 254 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 254 A C 2.169 179.645 177.584 -0.179 0.000 1.181 254 A CA 1.449 53.408 52.037 -0.130 0.000 0.623 254 A CB -0.432 18.511 19.000 -0.095 0.000 0.818 254 A HN 0.054 nan 8.150 nan 0.000 0.443 255 R N 0.454 120.909 120.500 -0.075 0.000 2.096 255 R HA -0.185 4.154 4.340 -0.000 0.000 0.240 255 R C 1.917 178.140 176.300 -0.128 0.000 1.139 255 R CA 2.279 58.366 56.100 -0.021 0.000 0.952 255 R CB -0.477 29.894 30.300 0.118 0.000 0.854 255 R HN 0.588 nan 8.270 nan 0.000 0.436 256 K N -0.105 120.243 120.400 -0.087 0.000 2.057 256 K HA -0.059 4.261 4.320 -0.000 0.000 0.207 256 K C 2.209 178.723 176.600 -0.143 0.000 1.049 256 K CA 1.480 57.717 56.287 -0.083 0.000 0.931 256 K CB -0.228 32.239 32.500 -0.056 0.000 0.714 256 K HN 0.256 nan 8.250 nan 0.000 0.440 257 A N 1.316 124.027 122.820 -0.183 0.000 1.902 257 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 257 A C 2.118 179.538 177.584 -0.274 0.000 1.181 257 A CA 1.367 53.283 52.037 -0.201 0.000 0.623 257 A CB -0.611 18.264 19.000 -0.207 0.000 0.818 257 A HN 0.156 nan 8.150 nan 0.000 0.443 258 L N -1.109 119.833 121.223 -0.468 0.000 2.131 258 L HA -0.070 4.270 4.340 -0.000 0.000 0.206 258 L C 3.062 179.600 176.870 -0.553 0.000 1.087 258 L CA 0.823 55.239 54.840 -0.708 0.000 0.767 258 L CB -0.543 40.680 42.059 -1.393 0.000 0.917 258 L HN 0.403 nan 8.230 nan 0.000 0.441 259 A N 0.268 122.840 122.820 -0.413 0.000 1.902 259 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 259 A C 2.246 179.818 177.584 -0.020 0.000 1.181 259 A CA 1.453 53.484 52.037 -0.010 0.000 0.623 259 A CB -0.691 18.370 19.000 0.102 0.000 0.818 259 A HN 0.362 nan 8.150 nan 0.000 0.443 260 L N -1.409 119.773 121.223 -0.069 0.000 2.217 260 L HA 0.050 4.390 4.340 -0.000 0.000 0.211 260 L C 1.720 178.566 176.870 -0.040 0.000 1.107 260 L CA 0.735 55.549 54.840 -0.043 0.000 0.783 260 L CB -0.370 41.658 42.059 -0.052 0.000 0.919 260 L HN 0.632 nan 8.230 nan 0.000 0.442 261 G N -0.781 107.976 108.800 -0.071 0.000 2.182 261 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.248 261 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.248 261 G C 0.861 175.734 174.900 -0.044 0.000 1.042 261 G CA 0.333 45.401 45.100 -0.053 0.000 0.775 261 G HN 0.432 nan 8.290 nan 0.000 0.501 262 A N -1.009 121.772 122.820 -0.066 0.000 2.066 262 A HA 0.584 4.904 4.320 -0.000 0.000 0.218 262 A C 1.658 179.217 177.584 -0.042 0.000 1.157 262 A CA 1.890 53.908 52.037 -0.033 0.000 0.670 262 A CB 0.140 19.099 19.000 -0.068 0.000 0.804 262 A HN 2.197 nan 8.150 nan 0.000 0.453 263 G N -4.037 104.712 108.800 -0.085 0.000 2.623 263 G HA2 0.453 4.413 3.960 -0.000 0.000 0.290 263 G HA3 0.453 4.413 3.960 -0.000 0.000 0.290 263 G C 0.211 175.062 174.900 -0.082 0.000 1.437 263 G CA 0.231 45.286 45.100 -0.074 0.000 0.798 263 G HN 0.612 nan 8.290 nan 0.000 0.488 264 G N -1.446 107.325 108.800 -0.049 0.000 3.192 264 G HA2 0.467 4.426 3.960 -0.000 0.000 0.239 264 G HA3 0.467 4.426 3.960 -0.000 0.000 0.239 264 G C -0.260 174.611 174.900 -0.048 0.000 1.084 264 G CA 0.384 45.461 45.100 -0.037 0.000 0.784 264 G HN 0.936 nan 8.290 nan 0.000 0.540 265 V N 0.851 120.716 119.914 -0.081 0.000 2.888 265 V HA 0.525 4.645 4.120 -0.000 0.000 0.309 265 V C -1.098 174.874 176.094 -0.204 0.000 1.114 265 V CA -0.785 61.447 62.300 -0.115 0.000 0.940 265 V CB 2.393 34.154 31.823 -0.104 0.000 1.021 265 V HN 0.086 nan 8.190 nan 0.000 0.426 266 I N 3.037 123.442 120.570 -0.275 0.000 2.436 266 I HA 0.397 4.567 4.170 -0.000 0.000 0.289 266 I C -0.307 175.429 176.117 -0.635 0.000 1.010 266 I CA -0.564 60.517 61.300 -0.365 0.000 1.098 266 I CB 2.004 39.825 38.000 -0.298 0.000 1.266 266 I HN 0.604 nan 8.210 nan 0.000 0.434 267 N N 6.943 125.181 118.700 -0.770 0.000 2.399 267 N HA 0.100 4.840 4.740 -0.000 0.000 0.259 267 N C -1.152 173.985 175.510 -0.623 0.000 1.160 267 N CA -0.299 52.039 53.050 -1.188 0.000 0.946 267 N CB 0.747 38.610 38.487 -1.039 0.000 1.156 267 N HN 0.379 nan 8.380 nan 0.000 0.489 268 L N 4.245 125.163 121.223 -0.510 0.000 2.261 268 L HA 0.383 4.722 4.340 -0.000 0.000 0.289 268 L C -0.333 176.482 176.870 -0.091 0.000 1.059 268 L CA -0.140 54.570 54.840 -0.216 0.000 0.816 268 L CB 0.122 42.093 42.059 -0.148 0.000 1.191 268 L HN 0.365 nan 8.230 nan 0.000 0.431 269 K N 4.441 124.794 120.400 -0.078 0.000 2.263 269 K HA 0.198 4.518 4.320 -0.000 0.000 0.272 269 K C 0.811 177.397 176.600 -0.022 0.000 1.033 269 K CA -0.400 55.865 56.287 -0.037 0.000 0.884 269 K CB 2.231 34.706 32.500 -0.043 0.000 1.107 269 K HN 0.548 nan 8.250 nan 0.000 0.460 270 V N 3.341 123.238 119.914 -0.030 0.000 2.324 270 V HA -0.305 3.815 4.120 -0.000 0.000 0.250 270 V C 1.815 177.845 176.094 -0.106 0.000 1.060 270 V CA 2.788 65.037 62.300 -0.085 0.000 1.042 270 V CB -0.182 31.535 31.823 -0.176 0.000 0.650 270 V HN 0.935 nan 8.190 nan 0.000 0.450 271 A N -0.205 122.559 122.820 -0.093 0.000 1.970 271 A HA -0.103 4.216 4.320 -0.000 0.000 0.216 271 A C 2.400 179.975 177.584 -0.014 0.000 1.170 271 A CA 1.365 53.359 52.037 -0.073 0.000 0.645 271 A CB -0.654 18.302 19.000 -0.075 0.000 0.816 271 A HN 0.579 nan 8.150 nan 0.000 0.447 272 R N 0.341 120.849 120.500 0.013 0.000 2.127 272 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 272 R C 1.656 177.981 176.300 0.042 0.000 1.134 272 R CA 2.001 58.138 56.100 0.062 0.000 0.975 272 R CB -0.271 30.095 30.300 0.110 0.000 0.865 272 R HN 0.533 nan 8.270 nan 0.000 0.447 273 V N -3.598 116.325 119.914 0.014 0.000 3.647 273 V HA 0.412 4.532 4.120 -0.000 0.000 0.279 273 V C 0.839 176.940 176.094 0.012 0.000 1.314 273 V CA 0.689 62.997 62.300 0.013 0.000 1.125 273 V CB 0.516 32.341 31.823 0.002 0.000 0.907 273 V HN 0.418 nan 8.190 nan 0.000 0.434 274 G N -1.562 107.239 108.800 0.003 0.000 2.154 274 G HA2 0.347 4.307 3.960 -0.000 0.000 0.186 274 G HA3 0.347 4.307 3.960 -0.000 0.000 0.186 274 G C 0.967 175.861 174.900 -0.010 0.000 1.000 274 G CA -0.020 45.082 45.100 0.003 0.000 0.664 274 G HN 2.244 nan 8.290 nan 0.000 0.513 275 G N -1.583 107.187 108.800 -0.050 0.000 2.362 275 G HA2 0.183 4.143 3.960 -0.000 0.000 0.517 275 G HA3 0.183 4.143 3.960 -0.000 0.000 0.517 275 G C 0.240 175.075 174.900 -0.108 0.000 1.256 275 G CA 0.454 45.496 45.100 -0.097 0.000 1.027 275 G HN 0.544 nan 8.290 nan 0.000 0.491 276 H N -0.081 118.981 119.070 -0.015 0.000 2.333 276 H HA 0.082 4.638 4.556 -0.000 0.000 0.302 276 H C 3.107 178.338 175.328 -0.162 0.000 1.075 276 H CA 2.436 58.347 56.048 -0.228 0.000 1.348 276 H CB -0.533 28.790 29.762 -0.731 0.000 1.393 276 H HN 0.733 nan 8.280 nan 0.000 0.509 277 A N 1.097 124.021 122.820 0.173 0.000 1.877 277 A HA -0.203 4.116 4.320 -0.000 0.000 0.216 277 A C 2.371 180.029 177.584 0.122 0.000 1.186 277 A CA 1.957 54.123 52.037 0.214 0.000 0.620 277 A CB -0.387 18.851 19.000 0.396 0.000 0.822 277 A HN 0.354 nan 8.150 nan 0.000 0.443 278 E N 0.193 120.457 120.200 0.106 0.000 2.153 278 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 278 E C 2.153 178.787 176.600 0.057 0.000 0.988 278 E CA 1.453 57.894 56.400 0.069 0.000 0.811 278 E CB -0.239 29.491 29.700 0.050 0.000 0.746 278 E HN 0.516 nan 8.360 nan 0.000 0.466 279 S N -0.069 115.662 115.700 0.050 0.000 2.355 279 S HA -0.135 4.335 4.470 -0.000 0.000 0.222 279 S C 1.866 176.529 174.600 0.104 0.000 1.031 279 S CA 1.048 59.290 58.200 0.071 0.000 0.993 279 S CB -0.290 62.956 63.200 0.077 0.000 0.859 279 S HN 0.270 nan 8.310 nan 0.000 0.453 280 R N 1.103 121.643 120.500 0.066 0.000 2.096 280 R HA -0.133 4.207 4.340 -0.000 0.000 0.240 280 R C 2.443 178.819 176.300 0.126 0.000 1.139 280 R CA 1.546 57.676 56.100 0.050 0.000 0.952 280 R CB -0.161 30.139 30.300 0.001 0.000 0.854 280 R HN 0.344 nan 8.270 nan 0.000 0.436 281 R N -0.467 120.093 120.500 0.100 0.000 2.073 281 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 281 R C 2.372 178.724 176.300 0.088 0.000 1.134 281 R CA 1.595 57.752 56.100 0.094 0.000 0.952 281 R CB -0.515 29.829 30.300 0.074 0.000 0.850 281 R HN 0.078 nan 8.270 nan 0.000 0.433 282 V N 1.181 121.136 119.914 0.068 0.000 2.252 282 V HA -0.341 3.778 4.120 -0.000 0.000 0.249 282 V C 2.536 178.645 176.094 0.025 0.000 1.056 282 V CA 2.242 64.559 62.300 0.029 0.000 1.022 282 V CB -0.894 30.927 31.823 -0.003 0.000 0.641 282 V HN 0.497 nan 8.190 nan 0.000 0.445 283 H N 0.366 119.403 119.070 -0.055 0.000 2.353 283 H HA -0.207 4.349 4.556 -0.000 0.000 0.298 283 H C 2.003 177.307 175.328 -0.041 0.000 1.103 283 H CA 2.346 58.336 56.048 -0.097 0.000 1.293 283 H CB -0.183 29.559 29.762 -0.034 0.000 1.372 283 H HN 0.447 nan 8.280 nan 0.000 0.501 284 D N 0.153 120.647 120.400 0.156 0.000 2.149 284 D HA -0.076 4.563 4.640 -0.000 0.000 0.201 284 D C 2.621 178.941 176.300 0.035 0.000 0.972 284 D CA 0.796 54.852 54.000 0.094 0.000 0.835 284 D CB -0.251 40.640 40.800 0.153 0.000 0.966 284 D HN 0.233 nan 8.370 nan 0.000 0.476 285 V N 1.522 121.473 119.914 0.062 0.000 2.295 285 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 285 V C 2.527 178.728 176.094 0.179 0.000 1.049 285 V CA 1.866 64.240 62.300 0.123 0.000 1.024 285 V CB -0.800 31.098 31.823 0.124 0.000 0.648 285 V HN 0.184 nan 8.190 nan 0.000 0.447 286 A N -0.895 121.945 122.820 0.034 0.000 1.883 286 A HA -0.344 3.975 4.320 -0.000 0.000 0.217 286 A C 2.242 179.826 177.584 0.001 0.000 1.186 286 A CA 2.314 54.342 52.037 -0.016 0.000 0.624 286 A CB -0.661 18.245 19.000 -0.156 0.000 0.822 286 A HN 0.594 nan 8.150 nan 0.000 0.444 287 Q N 0.147 119.885 119.800 -0.103 0.000 2.112 287 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 287 Q C 2.223 178.213 176.000 -0.016 0.000 0.987 287 Q CA 2.385 58.129 55.803 -0.098 0.000 0.858 287 Q CB -0.228 28.415 28.738 -0.160 0.000 0.905 287 Q HN 0.813 nan 8.270 nan 0.000 0.420 288 S N -1.110 114.592 115.700 0.004 0.000 2.447 288 S HA -0.092 4.378 4.470 -0.000 0.000 0.233 288 S C 1.229 175.762 174.600 -0.111 0.000 1.006 288 S CA 0.640 58.807 58.200 -0.056 0.000 0.957 288 S CB -0.258 62.887 63.200 -0.091 0.000 0.773 288 S HN 0.422 nan 8.310 nan 0.000 0.507 289 F N 1.712 121.632 119.950 -0.049 0.000 2.727 289 F HA 0.406 4.933 4.527 -0.001 0.000 0.302 289 F C 1.801 177.576 175.800 -0.041 0.000 1.097 289 F CA 0.125 58.100 58.000 -0.042 0.000 1.330 289 F CB 0.192 39.163 39.000 -0.047 0.000 1.084 289 F HN 0.376 nan 8.300 nan 0.000 0.578 290 G N 1.141 110.001 108.800 0.100 0.000 2.176 290 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.252 290 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.252 290 G C 0.042 174.964 174.900 0.038 0.000 1.024 290 G CA 0.083 45.212 45.100 0.048 0.000 0.755 290 G HN 0.635 nan 8.290 nan 0.000 0.507 291 A N 0.591 123.428 122.820 0.029 0.000 2.304 291 A HA 0.875 5.195 4.320 -0.000 0.000 0.323 291 A C -1.644 175.896 177.584 -0.073 0.000 1.195 291 A CA -1.512 50.513 52.037 -0.020 0.000 0.826 291 A CB 1.749 20.720 19.000 -0.049 0.000 1.184 291 A HN 0.185 nan 8.150 nan 0.000 0.496 292 P HA 0.381 nan 4.420 nan 0.000 0.276 292 P C -0.196 177.017 177.300 -0.146 0.000 1.244 292 P CA -0.090 62.963 63.100 -0.078 0.000 0.801 292 P CB 1.217 32.926 31.700 0.015 0.000 1.006 293 V N -1.045 118.717 119.914 -0.252 0.000 3.019 293 V HA 0.841 4.961 4.120 -0.000 0.000 0.317 293 V C -0.759 175.222 176.094 -0.188 0.000 1.094 293 V CA -0.873 61.200 62.300 -0.377 0.000 1.000 293 V CB 2.216 33.647 31.823 -0.653 0.000 1.060 293 V HN 0.796 nan 8.190 nan 0.000 0.443 294 W N 0.232 121.413 121.300 -0.197 0.000 3.083 294 W HA 0.656 5.316 4.660 -0.000 0.000 0.333 294 W C -1.216 175.449 176.519 0.244 0.000 1.217 294 W CA -1.334 56.067 57.345 0.093 0.000 1.170 294 W CB 1.179 30.692 29.460 0.089 0.000 1.437 294 W HN 0.865 nan 8.180 nan 0.000 0.557 295 C N 3.131 122.860 119.300 0.714 0.000 2.464 295 C HA 0.626 5.085 4.460 -0.000 0.000 0.370 295 C C 1.208 176.396 174.990 0.331 0.000 1.267 295 C CA 0.600 59.895 59.018 0.461 0.000 1.781 295 C CB -0.968 26.945 27.740 0.289 0.000 2.431 295 C HN 0.788 nan 8.230 nan 0.000 0.556 296 G N 4.188 113.002 108.800 0.024 0.000 2.599 296 G HA2 0.572 4.532 3.960 -0.000 0.000 0.264 296 G HA3 0.572 4.532 3.960 -0.000 0.000 0.264 296 G C 0.064 175.021 174.900 0.095 0.000 1.200 296 G CA 0.132 45.255 45.100 0.039 0.000 0.896 296 G HN 1.187 nan 8.290 nan 0.000 0.536 297 G N -1.062 107.794 108.800 0.094 0.000 2.498 297 G HA2 0.512 4.471 3.960 -0.000 0.000 0.312 297 G HA3 0.512 4.471 3.960 -0.000 0.000 0.312 297 G C -0.174 174.700 174.900 -0.042 0.000 1.230 297 G CA -0.636 44.488 45.100 0.039 0.000 0.968 297 G HN 0.393 nan 8.290 nan 0.000 0.481 298 M N 2.177 121.738 119.600 -0.066 0.000 3.181 298 M HA 0.224 4.703 4.480 -0.000 0.000 0.422 298 M C 0.287 176.562 176.300 -0.042 0.000 1.481 298 M CA -0.105 55.134 55.300 -0.102 0.000 0.783 298 M CB -0.136 32.379 32.600 -0.142 0.000 1.437 298 M HN 0.582 nan 8.290 nan 0.000 0.505 299 L N 0.489 121.685 121.223 -0.046 0.000 3.660 299 L HA -0.265 4.075 4.340 -0.000 0.000 0.440 299 L C -0.251 176.676 176.870 0.095 0.000 1.262 299 L CA 0.521 55.327 54.840 -0.057 0.000 0.837 299 L CB -2.042 40.085 42.059 0.113 0.000 1.689 299 L HN 0.351 nan 8.230 nan 0.000 0.890 300 E N 0.427 120.624 120.200 -0.006 0.000 2.383 300 E HA 0.396 4.746 4.350 -0.000 0.000 0.264 300 E C 0.813 177.534 176.600 0.201 0.000 1.050 300 E CA 0.385 56.829 56.400 0.073 0.000 0.896 300 E CB 0.773 30.482 29.700 0.014 0.000 0.982 300 E HN 0.405 nan 8.360 nan 0.000 0.424 301 S N 1.058 116.786 115.700 0.047 0.000 2.606 301 S HA 0.113 4.583 4.470 -0.000 0.000 0.257 301 S C 1.471 176.102 174.600 0.052 0.000 1.327 301 S CA -0.304 57.846 58.200 -0.085 0.000 0.984 301 S CB 0.946 63.986 63.200 -0.267 0.000 0.941 301 S HN 0.649 nan 8.310 nan 0.000 0.576 302 G N 0.214 109.047 108.800 0.056 0.000 2.501 302 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.220 302 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.220 302 G C 1.172 176.124 174.900 0.086 0.000 1.114 302 G CA 0.611 45.764 45.100 0.089 0.000 0.757 302 G HN 0.607 nan 8.290 nan 0.000 0.559 303 I N 1.758 122.373 120.570 0.075 0.000 2.090 303 I HA -0.085 4.084 4.170 -0.000 0.000 0.236 303 I C 3.037 179.289 176.117 0.225 0.000 1.064 303 I CA 1.601 62.980 61.300 0.132 0.000 1.324 303 I CB -1.547 36.509 38.000 0.093 0.000 1.044 303 I HN 0.221 nan 8.210 nan 0.000 0.399 304 G N 0.187 109.065 108.800 0.129 0.000 2.422 304 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 304 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 304 G C 1.918 176.895 174.900 0.128 0.000 1.146 304 G CA 0.750 45.913 45.100 0.105 0.000 0.769 304 G HN 0.301 nan 8.290 nan 0.000 0.547 305 R N 0.487 121.045 120.500 0.096 0.000 2.083 305 R HA -0.019 4.321 4.340 -0.000 0.000 0.237 305 R C 2.877 179.238 176.300 0.101 0.000 1.137 305 R CA 1.559 57.707 56.100 0.080 0.000 0.951 305 R CB -0.391 29.950 30.300 0.068 0.000 0.851 305 R HN 0.286 nan 8.270 nan 0.000 0.434 306 A N 0.504 123.396 122.820 0.119 0.000 1.883 306 A HA -0.209 4.110 4.320 -0.000 0.000 0.217 306 A C 1.976 179.668 177.584 0.181 0.000 1.186 306 A CA 1.571 53.682 52.037 0.123 0.000 0.624 306 A CB -0.953 18.104 19.000 0.094 0.000 0.822 306 A HN 0.475 nan 8.150 nan 0.000 0.444 307 H N 0.013 119.167 119.070 0.141 0.000 2.319 307 H HA -0.133 4.423 4.556 -0.000 0.000 0.297 307 H C 2.011 177.441 175.328 0.171 0.000 1.097 307 H CA 1.901 58.059 56.048 0.184 0.000 1.285 307 H CB -0.145 29.712 29.762 0.158 0.000 1.368 307 H HN 0.448 nan 8.280 nan 0.000 0.495 308 N N 0.740 119.562 118.700 0.202 0.000 2.104 308 N HA -0.119 4.621 4.740 -0.000 0.000 0.190 308 N C 2.209 177.708 175.510 -0.018 0.000 1.024 308 N CA 0.794 53.888 53.050 0.074 0.000 0.853 308 N CB -0.484 38.035 38.487 0.052 0.000 1.008 308 N HN 0.364 nan 8.380 nan 0.000 0.424 309 I N 0.538 121.103 120.570 -0.007 0.000 2.179 309 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 309 I C 2.193 178.188 176.117 -0.203 0.000 1.088 309 I CA 1.096 62.328 61.300 -0.114 0.000 1.357 309 I CB -0.323 37.604 38.000 -0.122 0.000 1.051 309 I HN 0.273 nan 8.210 nan 0.000 0.409 310 H N 0.037 119.026 119.070 -0.134 0.000 2.352 310 H HA -0.188 4.367 4.556 -0.000 0.000 0.299 310 H C 2.190 177.373 175.328 -0.242 0.000 1.097 310 H CA 1.740 57.676 56.048 -0.185 0.000 1.311 310 H CB -0.220 29.409 29.762 -0.222 0.000 1.377 310 H HN 0.224 nan 8.280 nan 0.000 0.504 311 L N 0.944 122.108 121.223 -0.098 0.000 2.083 311 L HA -0.111 4.228 4.340 -0.000 0.000 0.209 311 L C 2.123 178.635 176.870 -0.597 0.000 1.083 311 L CA 1.365 56.078 54.840 -0.210 0.000 0.752 311 L CB -0.430 41.618 42.059 -0.018 0.000 0.899 311 L HN -0.031 nan 8.230 nan 0.000 0.433 312 S N -1.238 114.030 115.700 -0.720 0.000 2.555 312 S HA -0.105 4.365 4.470 -0.000 0.000 0.230 312 S C 1.698 176.010 174.600 -0.480 0.000 0.978 312 S CA 1.044 58.618 58.200 -1.042 0.000 0.934 312 S CB -0.735 62.130 63.200 -0.559 0.000 0.766 312 S HN 0.780 nan 8.310 nan 0.000 0.533 313 T N -0.200 114.166 114.554 -0.313 0.000 3.113 313 T HA 0.142 4.492 4.350 -0.000 0.000 0.263 313 T C 0.526 175.149 174.700 -0.129 0.000 1.143 313 T CA 0.057 62.048 62.100 -0.182 0.000 1.090 313 T CB -0.410 68.360 68.868 -0.163 0.000 0.922 313 T HN 0.010 nan 8.240 nan 0.000 0.521 314 L N 2.950 124.120 121.223 -0.089 0.000 2.467 314 L HA 0.255 4.595 4.340 -0.000 0.000 0.270 314 L C 1.881 178.899 176.870 0.247 0.000 1.205 314 L CA 0.354 55.197 54.840 0.004 0.000 0.828 314 L CB 0.803 42.732 42.059 -0.217 0.000 1.101 314 L HN 0.341 nan 8.230 nan 0.000 0.479 315 S N 0.250 116.095 115.700 0.242 0.000 2.453 315 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 315 S C 1.258 176.007 174.600 0.248 0.000 1.005 315 S CA 0.930 59.245 58.200 0.192 0.000 0.949 315 S CB -0.472 62.791 63.200 0.105 0.000 0.774 315 S HN 0.765 nan 8.310 nan 0.000 0.510 316 N N -0.195 118.741 118.700 0.393 0.000 2.398 316 N HA 0.108 4.847 4.740 -0.000 0.000 0.188 316 N C -0.898 174.596 175.510 -0.028 0.000 1.122 316 N CA -0.207 52.814 53.050 -0.048 0.000 0.866 316 N CB -0.001 38.106 38.487 -0.633 0.000 0.970 316 N HN 0.335 nan 8.380 nan 0.000 0.462 317 F N 1.495 121.554 119.950 0.182 0.000 2.685 317 F HA 0.159 4.685 4.527 -0.000 0.000 0.349 317 F C 1.409 177.281 175.800 0.119 0.000 1.294 317 F CA 0.109 58.201 58.000 0.154 0.000 1.201 317 F CB 0.219 39.306 39.000 0.145 0.000 1.615 317 F HN -0.111 nan 8.300 nan 0.000 0.674 318 R N 1.302 121.908 120.500 0.176 0.000 2.362 318 R HA 0.319 4.659 4.340 -0.000 0.000 0.227 318 R C -0.247 176.138 176.300 0.141 0.000 0.905 318 R CA 0.099 56.279 56.100 0.134 0.000 1.067 318 R CB 0.469 30.814 30.300 0.074 0.000 1.078 318 R HN 0.388 nan 8.270 nan 0.000 0.516 319 L N 0.948 122.291 121.223 0.199 0.000 2.370 319 L HA 0.505 4.845 4.340 -0.000 0.000 0.266 319 L C -2.460 174.525 176.870 0.192 0.000 1.002 319 L CA -2.669 52.273 54.840 0.170 0.000 0.818 319 L CB 2.130 44.303 42.059 0.189 0.000 1.325 319 L HN -0.252 nan 8.230 nan 0.000 0.418 320 P HA 0.117 nan 4.420 nan 0.000 0.268 320 P C -0.236 177.115 177.300 0.086 0.000 1.205 320 P CA -0.068 63.080 63.100 0.079 0.000 0.771 320 P CB 0.717 32.423 31.700 0.011 0.000 0.858 321 G N 1.077 110.008 108.800 0.218 0.000 2.531 321 G HA2 0.191 4.150 3.960 -0.000 0.000 0.313 321 G HA3 0.191 4.150 3.960 -0.000 0.000 0.313 321 G C -0.032 175.003 174.900 0.226 0.000 1.238 321 G CA -0.424 44.900 45.100 0.374 0.000 0.994 321 G HN 0.287 nan 8.290 nan 0.000 0.493 322 D N -0.094 120.504 120.400 0.329 0.000 2.323 322 D HA 0.093 4.733 4.640 -0.000 0.000 0.239 322 D C 0.912 177.305 176.300 0.154 0.000 1.129 322 D CA 0.428 54.549 54.000 0.202 0.000 0.865 322 D CB 0.082 41.051 40.800 0.281 0.000 0.913 322 D HN 0.157 nan 8.370 nan 0.000 0.517 323 T N 0.655 115.302 114.554 0.155 0.000 3.945 323 T HA 0.174 4.524 4.350 -0.000 0.000 0.306 323 T C 0.803 175.602 174.700 0.165 0.000 1.475 323 T CA -0.440 61.740 62.100 0.133 0.000 1.177 323 T CB -0.071 68.858 68.868 0.103 0.000 1.272 323 T HN 0.035 nan 8.240 nan 0.000 0.930 324 S N 1.123 116.943 115.700 0.200 0.000 2.671 324 S HA 0.496 4.966 4.470 -0.000 0.000 0.272 324 S C 0.459 175.244 174.600 0.308 0.000 1.174 324 S CA -0.997 57.354 58.200 0.251 0.000 1.004 324 S CB 0.496 63.708 63.200 0.019 0.000 1.077 324 S HN 0.332 nan 8.310 nan 0.000 0.553 325 S N 0.827 116.710 115.700 0.306 0.000 2.537 325 S HA 0.338 4.807 4.470 -0.000 0.000 0.286 325 S C 1.545 176.316 174.600 0.285 0.000 1.299 325 S CA -0.138 58.204 58.200 0.237 0.000 1.067 325 S CB 0.518 63.831 63.200 0.188 0.000 0.864 325 S HN 0.896 nan 8.310 nan 0.000 0.494 326 A N 3.590 126.562 122.820 0.253 0.000 1.948 326 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 326 A C 2.332 180.067 177.584 0.252 0.000 1.177 326 A CA 2.007 54.226 52.037 0.302 0.000 0.636 326 A CB -1.077 18.097 19.000 0.290 0.000 0.815 326 A HN 0.949 nan 8.150 nan 0.000 0.449 327 S N -0.429 115.369 115.700 0.164 0.000 2.500 327 S HA -0.139 4.331 4.470 -0.000 0.000 0.239 327 S C 1.792 176.394 174.600 0.003 0.000 0.989 327 S CA 1.046 59.302 58.200 0.092 0.000 0.951 327 S CB -0.484 62.756 63.200 0.068 0.000 0.759 327 S HN 0.632 nan 8.310 nan 0.000 0.523 328 R N -0.737 119.731 120.500 -0.053 0.000 2.148 328 R HA 0.032 4.372 4.340 -0.000 0.000 0.223 328 R C 1.285 177.299 176.300 -0.477 0.000 1.088 328 R CA 1.520 57.452 56.100 -0.281 0.000 0.985 328 R CB -0.240 29.776 30.300 -0.473 0.000 0.880 328 R HN 0.613 nan 8.270 nan 0.000 0.451 329 Y N -2.179 117.850 120.300 -0.451 0.000 2.539 329 Y HA 0.119 4.669 4.550 -0.000 0.000 0.284 329 Y C 0.365 175.773 175.900 -0.821 0.000 1.134 329 Y CA -0.265 57.290 58.100 -0.909 0.000 1.251 329 Y CB 0.350 37.806 38.460 -1.674 0.000 1.260 329 Y HN -0.052 nan 8.280 nan 0.000 0.528 330 W N 0.843 122.255 121.300 0.188 0.000 2.702 330 W HA 0.428 5.088 4.660 -0.001 0.000 0.331 330 W C 0.723 177.276 176.519 0.056 0.000 1.049 330 W CA -0.785 56.625 57.345 0.108 0.000 1.230 330 W CB 1.091 30.616 29.460 0.108 0.000 1.408 330 W HN -0.186 nan 8.180 nan 0.000 0.492 331 E N 1.080 121.430 120.200 0.251 0.000 2.150 331 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 331 E C 0.526 177.172 176.600 0.078 0.000 0.985 331 E CA 0.941 57.414 56.400 0.123 0.000 0.814 331 E CB 0.386 30.138 29.700 0.087 0.000 0.752 331 E HN 0.297 nan 8.360 nan 0.000 0.466 332 R N 0.767 121.324 120.500 0.095 0.000 2.548 332 R HA 0.119 4.459 4.340 -0.000 0.000 0.280 332 R C -1.597 174.714 176.300 0.019 0.000 1.061 332 R CA -0.486 55.555 56.100 -0.098 0.000 0.915 332 R CB 1.646 31.626 30.300 -0.534 0.000 1.210 332 R HN -0.145 nan 8.270 nan 0.000 0.442 333 D N 2.571 122.982 120.400 0.017 0.000 2.388 333 D HA 0.193 4.832 4.640 -0.000 0.000 0.254 333 D C 1.035 177.384 176.300 0.081 0.000 1.111 333 D CA -0.441 53.577 54.000 0.030 0.000 0.993 333 D CB 1.417 42.289 40.800 0.120 0.000 1.118 333 D HN 0.538 nan 8.370 nan 0.000 0.502 334 L N 1.024 122.269 121.223 0.035 0.000 2.554 334 L HA 0.121 4.461 4.340 -0.000 0.000 0.226 334 L C 0.976 177.903 176.870 0.096 0.000 1.137 334 L CA 0.287 55.192 54.840 0.109 0.000 0.863 334 L CB -0.454 41.589 42.059 -0.027 0.000 0.985 334 L HN 0.356 nan 8.230 nan 0.000 0.451 335 I N -4.706 115.902 120.570 0.063 0.000 2.822 335 I HA 0.215 4.385 4.170 -0.000 0.000 0.312 335 I C 0.784 176.928 176.117 0.046 0.000 1.011 335 I CA -0.774 60.559 61.300 0.054 0.000 1.105 335 I CB 1.246 39.274 38.000 0.047 0.000 1.291 335 I HN -0.090 nan 8.210 nan 0.000 0.474 336 Q N 1.010 120.833 119.800 0.038 0.000 2.123 336 Q HA -0.019 4.321 4.340 -0.000 0.000 0.199 336 Q C -0.253 175.759 176.000 0.021 0.000 0.966 336 Q CA 1.176 56.994 55.803 0.025 0.000 0.845 336 Q CB -0.055 28.698 28.738 0.024 0.000 0.907 336 Q HN 0.656 nan 8.270 nan 0.000 0.439 337 E N 1.646 121.863 120.200 0.028 0.000 2.313 337 E HA 0.152 4.502 4.350 -0.000 0.000 0.272 337 E C -2.318 174.304 176.600 0.037 0.000 1.038 337 E CA -1.962 54.454 56.400 0.027 0.000 0.863 337 E CB 0.340 30.056 29.700 0.027 0.000 1.060 337 E HN 0.037 nan 8.360 nan 0.000 0.402 338 P HA 0.187 nan 4.420 nan 0.000 0.278 338 P C -0.791 176.540 177.300 0.052 0.000 1.238 338 P CA -0.266 62.862 63.100 0.047 0.000 0.794 338 P CB 0.691 32.411 31.700 0.034 0.000 0.955 339 L N 2.275 123.542 121.223 0.074 0.000 2.457 339 L HA 0.335 4.675 4.340 -0.000 0.000 0.252 339 L C 0.106 177.028 176.870 0.086 0.000 1.132 339 L CA -0.252 54.632 54.840 0.072 0.000 0.938 339 L CB 0.777 42.889 42.059 0.087 0.000 1.246 339 L HN 0.182 nan 8.230 nan 0.000 0.476 340 E N 1.973 122.210 120.200 0.062 0.000 2.176 340 E HA 0.611 4.961 4.350 -0.000 0.000 0.267 340 E C -0.433 176.189 176.600 0.038 0.000 0.893 340 E CA -0.448 55.989 56.400 0.062 0.000 0.761 340 E CB 2.864 32.589 29.700 0.042 0.000 1.133 340 E HN 0.424 nan 8.360 nan 0.000 0.409 341 A N 2.299 125.148 122.820 0.049 0.000 2.302 341 A HA 0.585 4.904 4.320 -0.000 0.000 0.285 341 A C -0.294 177.243 177.584 -0.078 0.000 1.105 341 A CA -0.503 51.532 52.037 -0.003 0.000 0.816 341 A CB 0.785 19.805 19.000 0.034 0.000 1.067 341 A HN 0.337 nan 8.150 nan 0.000 0.489 342 V N 1.770 121.625 119.914 -0.098 0.000 2.577 342 V HA 0.401 4.521 4.120 -0.000 0.000 0.303 342 V C -0.133 175.875 176.094 -0.143 0.000 1.042 342 V CA 0.299 62.523 62.300 -0.126 0.000 0.872 342 V CB 1.395 33.173 31.823 -0.076 0.000 0.998 342 V HN 1.164 nan 8.190 nan 0.000 0.423 343 D N 3.924 124.209 120.400 -0.192 0.000 2.772 343 D HA -0.160 4.480 4.640 -0.000 0.000 0.233 343 D C 1.174 177.377 176.300 -0.161 0.000 1.143 343 D CA 2.062 55.964 54.000 -0.164 0.000 0.700 343 D CB -1.049 39.695 40.800 -0.094 0.000 1.076 343 D HN 1.713 nan 8.370 nan 0.000 0.430 344 G N -1.203 107.441 108.800 -0.261 0.000 2.153 344 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.252 344 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.252 344 G C 0.221 175.099 174.900 -0.037 0.000 0.994 344 G CA 0.456 45.472 45.100 -0.139 0.000 0.698 344 G HN 0.607 nan 8.290 nan 0.000 0.521 345 L N -0.396 120.794 121.223 -0.056 0.000 2.325 345 L HA 0.718 5.058 4.340 -0.000 0.000 0.281 345 L C 0.108 176.969 176.870 -0.015 0.000 1.004 345 L CA -1.061 53.766 54.840 -0.021 0.000 0.823 345 L CB 1.848 43.891 42.059 -0.026 0.000 1.236 345 L HN 0.172 nan 8.230 nan 0.000 0.415 346 M N 7.350 126.951 119.600 0.003 0.000 2.129 346 M HA 0.506 4.986 4.480 -0.000 0.000 0.348 346 M C -2.521 173.762 176.300 -0.027 0.000 1.116 346 M CA -1.990 53.311 55.300 0.002 0.000 1.022 346 M CB 1.319 33.934 32.600 0.027 0.000 1.599 346 M HN 0.111 nan 8.290 nan 0.000 0.449 347 P HA 0.162 nan 4.420 nan 0.000 0.277 347 P C -1.006 176.245 177.300 -0.082 0.000 1.240 347 P CA -0.412 62.659 63.100 -0.050 0.000 0.798 347 P CB 0.712 32.391 31.700 -0.035 0.000 0.979 348 V N 4.703 124.544 119.914 -0.122 0.000 2.446 348 V HA 0.091 4.210 4.120 -0.000 0.000 0.276 348 V C -1.533 174.475 176.094 -0.144 0.000 1.030 348 V CA -1.143 61.029 62.300 -0.213 0.000 1.033 348 V CB -0.261 31.398 31.823 -0.274 0.000 0.993 348 V HN 0.589 nan 8.190 nan 0.000 0.477 349 P HA 0.084 nan 4.420 nan 0.000 0.262 349 P C -0.295 177.014 177.300 0.015 0.000 1.199 349 P CA 0.038 63.125 63.100 -0.022 0.000 0.763 349 P CB 0.490 32.204 31.700 0.024 0.000 0.790 350 Q N 1.400 121.206 119.800 0.010 0.000 2.394 350 Q HA 0.515 4.855 4.340 -0.000 0.000 0.248 350 Q C 0.788 176.803 176.000 0.025 0.000 0.992 350 Q CA 0.259 56.073 55.803 0.017 0.000 0.888 350 Q CB 0.596 29.336 28.738 0.003 0.000 1.257 350 Q HN 0.808 nan 8.270 nan 0.000 0.462 351 G N 1.152 109.963 108.800 0.018 0.000 2.381 351 G HA2 -0.070 3.889 3.960 -0.000 0.000 0.672 351 G HA3 -0.070 3.889 3.960 -0.000 0.000 0.672 351 G C -3.033 171.855 174.900 -0.021 0.000 1.324 351 G CA -1.137 43.961 45.100 -0.003 0.000 0.975 351 G HN 0.472 nan 8.290 nan 0.000 0.593 352 P HA 0.511 nan 4.420 nan 0.000 0.276 352 P C 1.368 178.586 177.300 -0.136 0.000 1.261 352 P CA 1.372 64.418 63.100 -0.089 0.000 0.800 352 P CB 0.767 32.413 31.700 -0.091 0.000 1.066 353 G N 1.116 109.804 108.800 -0.186 0.000 2.672 353 G HA2 -0.382 3.577 3.960 -0.000 0.000 0.324 353 G HA3 -0.382 3.577 3.960 -0.000 0.000 0.324 353 G C 1.159 175.777 174.900 -0.469 0.000 1.286 353 G CA 1.757 46.698 45.100 -0.264 0.000 1.004 353 G HN 0.732 nan 8.290 nan 0.000 0.548 354 T N -0.979 113.320 114.554 -0.425 0.000 3.007 354 T HA 0.331 4.680 4.350 -0.000 0.000 0.270 354 T C 2.692 177.345 174.700 -0.078 0.000 1.107 354 T CA 1.854 63.682 62.100 -0.454 0.000 1.118 354 T CB -0.334 68.323 68.868 -0.351 0.000 0.889 354 T HN 2.763 nan 8.240 nan 0.000 0.506 355 G N 0.758 109.524 108.800 -0.056 0.000 2.162 355 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 355 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 355 G C 0.207 175.125 174.900 0.029 0.000 0.976 355 G CA 0.536 45.658 45.100 0.036 0.000 0.655 355 G HN 1.567 nan 8.290 nan 0.000 0.533 356 V N -3.602 116.317 119.914 0.008 0.000 3.113 356 V HA 1.021 5.141 4.120 -0.000 0.000 0.316 356 V C -0.122 175.978 176.094 0.009 0.000 1.125 356 V CA -0.191 62.120 62.300 0.018 0.000 1.026 356 V CB 2.183 34.026 31.823 0.034 0.000 1.080 356 V HN 0.668 nan 8.190 nan 0.000 0.444 357 T N 2.465 117.031 114.554 0.020 0.000 3.011 357 T HA 0.513 4.862 4.350 -0.000 0.000 0.303 357 T C -0.509 174.210 174.700 0.031 0.000 0.997 357 T CA -0.465 61.647 62.100 0.020 0.000 1.007 357 T CB 1.201 70.080 68.868 0.018 0.000 1.017 357 T HN 0.788 nan 8.240 nan 0.000 0.443 358 L N 2.858 124.100 121.223 0.031 0.000 2.578 358 L HA 0.080 4.419 4.340 -0.000 0.000 0.279 358 L C 0.734 177.635 176.870 0.052 0.000 1.227 358 L CA -0.028 54.836 54.840 0.040 0.000 0.900 358 L CB 0.250 42.328 42.059 0.032 0.000 1.144 358 L HN 0.671 nan 8.230 nan 0.000 0.496 359 D N 4.056 124.502 120.400 0.078 0.000 2.453 359 D HA 0.033 4.672 4.640 -0.000 0.000 0.223 359 D C 1.161 177.525 176.300 0.106 0.000 1.183 359 D CA -0.174 53.888 54.000 0.103 0.000 0.933 359 D CB 0.588 41.478 40.800 0.149 0.000 1.038 359 D HN 0.331 nan 8.370 nan 0.000 0.513 360 R N 2.556 123.097 120.500 0.068 0.000 2.075 360 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 360 R C 1.440 177.765 176.300 0.042 0.000 1.126 360 R CA 1.049 57.176 56.100 0.044 0.000 0.963 360 R CB -0.053 30.269 30.300 0.037 0.000 0.858 360 R HN 0.465 nan 8.270 nan 0.000 0.435 361 E N 0.056 120.295 120.200 0.065 0.000 2.058 361 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 361 E C 1.664 178.322 176.600 0.097 0.000 0.997 361 E CA 1.395 57.838 56.400 0.070 0.000 0.801 361 E CB -0.422 29.326 29.700 0.080 0.000 0.746 361 E HN 0.308 nan 8.360 nan 0.000 0.450 362 F N 0.537 120.486 119.950 -0.001 0.000 2.206 362 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 362 F C 1.998 177.790 175.800 -0.014 0.000 1.090 362 F CA 0.500 58.497 58.000 -0.005 0.000 1.323 362 F CB -0.011 38.986 39.000 -0.006 0.000 1.028 362 F HN 0.054 nan 8.300 nan 0.000 0.492 363 L N 1.353 122.478 121.223 -0.163 0.000 2.043 363 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 363 L C 2.409 179.128 176.870 -0.252 0.000 1.075 363 L CA 2.157 56.848 54.840 -0.248 0.000 0.752 363 L CB -1.372 40.639 42.059 -0.081 0.000 0.891 363 L HN 0.171 nan 8.230 nan 0.000 0.432 364 A N -1.140 121.588 122.820 -0.153 0.000 1.940 364 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 364 A C 2.355 179.855 177.584 -0.141 0.000 1.176 364 A CA 2.289 54.259 52.037 -0.111 0.000 0.631 364 A CB -1.411 17.558 19.000 -0.053 0.000 0.814 364 A HN 0.669 nan 8.150 nan 0.000 0.446 365 T N -2.279 112.156 114.554 -0.199 0.000 3.007 365 T HA 0.003 4.353 4.350 -0.000 0.000 0.270 365 T C 1.140 175.708 174.700 -0.221 0.000 1.107 365 T CA 1.538 63.531 62.100 -0.178 0.000 1.118 365 T CB -0.455 68.335 68.868 -0.130 0.000 0.889 365 T HN 0.891 nan 8.240 nan 0.000 0.506 366 V N -2.489 117.228 119.914 -0.329 0.000 3.346 366 V HA 0.393 4.513 4.120 -0.000 0.000 0.309 366 V C 0.420 176.410 176.094 -0.174 0.000 1.457 366 V CA -0.643 61.502 62.300 -0.258 0.000 1.069 366 V CB -0.507 31.094 31.823 -0.370 0.000 0.944 366 V HN 0.207 nan 8.190 nan 0.000 0.449 367 T N 3.281 117.743 114.554 -0.153 0.000 2.870 367 T HA 0.236 4.586 4.350 -0.000 0.000 0.300 367 T C 1.089 175.746 174.700 -0.071 0.000 0.989 367 T CA 0.809 62.848 62.100 -0.101 0.000 1.139 367 T CB 1.061 69.879 68.868 -0.083 0.000 0.920 367 T HN 0.842 nan 8.240 nan 0.000 0.537 368 E N 1.705 121.871 120.200 -0.057 0.000 2.490 368 E HA 0.486 4.835 4.350 -0.000 0.000 0.209 368 E C 0.313 176.892 176.600 -0.034 0.000 0.971 368 E CA -0.479 55.895 56.400 -0.044 0.000 0.988 368 E CB 0.643 30.317 29.700 -0.043 0.000 1.029 368 E HN 0.506 nan 8.360 nan 0.000 0.496 369 A N 1.478 124.280 122.820 -0.031 0.000 2.574 369 A HA 0.532 4.852 4.320 -0.000 0.000 0.297 369 A C -1.631 175.944 177.584 -0.015 0.000 1.062 369 A CA -0.838 51.187 52.037 -0.020 0.000 0.686 369 A CB 1.552 20.544 19.000 -0.014 0.000 1.285 369 A HN 0.232 nan 8.150 nan 0.000 0.403 370 Q N 0.598 120.392 119.800 -0.010 0.000 2.527 370 Q HA 0.706 5.046 4.340 -0.000 0.000 0.280 370 Q C -1.389 174.608 176.000 -0.005 0.000 0.977 370 Q CA -0.918 54.885 55.803 -0.001 0.000 0.837 370 Q CB 1.865 30.600 28.738 -0.005 0.000 1.454 370 Q HN 0.859 nan 8.270 nan 0.000 0.387 371 E N 0.464 120.666 120.200 0.004 0.000 2.375 371 E HA 0.478 4.828 4.350 -0.000 0.000 0.280 371 E C -1.506 175.063 176.600 -0.052 0.000 0.972 371 E CA -0.959 55.411 56.400 -0.051 0.000 0.782 371 E CB 2.588 32.266 29.700 -0.036 0.000 1.229 371 E HN 0.618 nan 8.360 nan 0.000 0.439 372 E N 1.557 121.658 120.200 -0.164 0.000 2.199 372 E HA 0.293 4.643 4.350 -0.000 0.000 0.269 372 E C -1.246 175.186 176.600 -0.281 0.000 0.899 372 E CA -0.729 55.609 56.400 -0.103 0.000 0.772 372 E CB 1.280 30.945 29.700 -0.059 0.000 1.155 372 E HN 0.483 nan 8.360 nan 0.000 0.408 373 H N 3.248 122.344 119.070 0.043 0.000 2.538 373 H HA 0.510 5.066 4.556 -0.000 0.000 0.353 373 H C -0.140 175.217 175.328 0.048 0.000 1.109 373 H CA -0.781 55.291 56.048 0.041 0.000 1.192 373 H CB 1.531 31.321 29.762 0.046 0.000 1.555 373 H HN 0.363 nan 8.280 nan 0.000 0.518 374 R N 0.647 121.227 120.500 0.134 0.000 2.905 374 R HA 0.661 5.000 4.340 -0.000 0.000 0.260 374 R C -0.279 176.076 176.300 0.091 0.000 1.086 374 R CA -1.003 55.154 56.100 0.094 0.000 0.978 374 R CB 1.897 32.224 30.300 0.046 0.000 1.215 374 R HN 0.624 nan 8.270 nan 0.000 0.480 375 A N 0.000 122.862 122.820 0.071 0.000 2.254 375 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 375 A CA 0.000 52.072 52.037 0.058 0.000 0.836 375 A CB 0.000 19.027 19.000 0.046 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486