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 1r0m_1_C DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LGTLLGGHKE QVEVGVSLGI QADEQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRATRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTYIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSTLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.499 176.300 0.332 0.000 0.893 6 R CA 0.000 56.231 56.100 0.219 0.000 0.921 6 R CB 0.000 30.376 30.300 0.126 0.000 0.687 7 M N 1.808 121.528 119.600 0.200 0.000 2.228 7 M HA 0.439 4.919 4.480 0.000 0.000 0.326 7 M C -0.662 175.779 176.300 0.236 0.000 1.122 7 M CA -0.178 55.207 55.300 0.141 0.000 1.161 7 M CB 0.499 33.076 32.600 -0.040 0.000 1.437 7 M HN 0.483 nan 8.290 nan 0.000 0.465 8 F N -0.440 119.591 119.950 0.135 0.000 2.540 8 F HA 0.671 5.198 4.527 0.000 0.000 0.317 8 F C -0.726 175.155 175.800 0.134 0.000 1.104 8 F CA -1.177 56.913 58.000 0.150 0.000 0.913 8 F CB 0.992 40.118 39.000 0.209 0.000 1.170 8 F HN 0.411 nan 8.300 nan 0.000 0.450 9 K N 4.743 125.273 120.400 0.217 0.000 2.213 9 K HA 0.541 4.861 4.320 0.000 0.000 0.270 9 K C -1.084 175.666 176.600 0.250 0.000 1.002 9 K CA -0.599 55.766 56.287 0.130 0.000 0.868 9 K CB 1.061 33.599 32.500 0.062 0.000 1.093 9 K HN 0.901 nan 8.250 nan 0.000 0.454 10 I N 5.056 125.795 120.570 0.281 0.000 2.308 10 I HA 0.043 4.213 4.170 0.000 0.000 0.293 10 I C 0.774 177.008 176.117 0.196 0.000 1.078 10 I CA 0.048 61.517 61.300 0.281 0.000 1.292 10 I CB 1.067 39.256 38.000 0.315 0.000 1.423 10 I HN 0.779 nan 8.210 nan 0.000 0.493 11 E N 4.653 124.961 120.200 0.180 0.000 2.276 11 E HA 0.278 4.628 4.350 0.000 0.000 0.193 11 E C 0.370 177.049 176.600 0.132 0.000 0.983 11 E CA 0.076 56.556 56.400 0.133 0.000 0.861 11 E CB 0.590 30.356 29.700 0.110 0.000 0.817 11 E HN 0.736 nan 8.360 nan 0.000 0.485 12 A N 0.512 123.442 122.820 0.183 0.000 2.612 12 A HA 0.786 5.106 4.320 0.000 0.000 0.293 12 A C -1.690 176.055 177.584 0.269 0.000 1.075 12 A CA -0.329 51.819 52.037 0.186 0.000 0.680 12 A CB 1.712 20.770 19.000 0.097 0.000 1.279 12 A HN 0.061 nan 8.150 nan 0.000 0.411 13 A N 0.684 123.654 122.820 0.249 0.000 2.455 13 A HA 0.759 5.079 4.320 0.000 0.000 0.300 13 A C -0.945 176.778 177.584 0.231 0.000 1.040 13 A CA -0.391 51.786 52.037 0.234 0.000 0.697 13 A CB 1.136 20.245 19.000 0.183 0.000 1.265 13 A HN 0.736 nan 8.150 nan 0.000 0.407 14 E N 1.290 121.608 120.200 0.198 0.000 2.212 14 E HA 0.577 4.927 4.350 0.000 0.000 0.268 14 E C -1.218 175.453 176.600 0.118 0.000 0.902 14 E CA -0.488 56.002 56.400 0.151 0.000 0.779 14 E CB 2.417 32.206 29.700 0.147 0.000 1.172 14 E HN 0.583 nan 8.360 nan 0.000 0.409 15 I N 2.627 123.265 120.570 0.113 0.000 2.362 15 I HA 0.302 4.472 4.170 0.000 0.000 0.289 15 I C -0.859 175.284 176.117 0.043 0.000 0.994 15 I CA -0.909 60.437 61.300 0.077 0.000 1.158 15 I CB 1.468 39.525 38.000 0.094 0.000 1.315 15 I HN 0.165 nan 8.210 nan 0.000 0.451 16 V N 7.205 127.133 119.914 0.023 0.000 2.483 16 V HA 0.376 4.496 4.120 0.000 0.000 0.297 16 V C -0.219 175.869 176.094 -0.011 0.000 1.027 16 V CA -0.698 61.603 62.300 0.002 0.000 0.855 16 V CB 2.114 33.935 31.823 -0.003 0.000 0.995 16 V HN 0.376 nan 8.190 nan 0.000 0.424 17 V N 4.151 124.054 119.914 -0.019 0.000 2.370 17 V HA 0.805 4.925 4.120 0.000 0.000 0.283 17 V C 0.473 176.542 176.094 -0.042 0.000 1.023 17 V CA -0.399 61.887 62.300 -0.024 0.000 0.857 17 V CB 1.489 33.302 31.823 -0.016 0.000 0.985 17 V HN 0.980 nan 8.190 nan 0.000 0.443 18 A N 4.695 127.483 122.820 -0.053 0.000 2.312 18 A HA 0.898 5.218 4.320 0.000 0.000 0.328 18 A C -0.166 177.391 177.584 -0.045 0.000 1.158 18 A CA -0.790 51.202 52.037 -0.076 0.000 0.821 18 A CB 1.122 20.051 19.000 -0.119 0.000 1.170 18 A HN 0.772 nan 8.150 nan 0.000 0.490 19 R N 1.621 122.100 120.500 -0.036 0.000 2.312 19 R HA 0.507 4.847 4.340 0.000 0.000 0.310 19 R C -1.760 174.610 176.300 0.116 0.000 1.064 19 R CA -0.314 55.805 56.100 0.033 0.000 0.983 19 R CB 0.245 30.530 30.300 -0.025 0.000 1.139 19 R HN 0.561 nan 8.270 nan 0.000 0.536 20 L N 6.628 127.928 121.223 0.128 0.000 2.265 20 L HA 0.606 4.946 4.340 0.000 0.000 0.289 20 L C -2.324 174.687 176.870 0.236 0.000 1.033 20 L CA -2.266 52.622 54.840 0.080 0.000 0.814 20 L CB 1.356 43.287 42.059 -0.215 0.000 1.203 20 L HN 0.549 nan 8.230 nan 0.000 0.423 21 P HA 0.078 nan 4.420 nan 0.000 0.263 21 P C -0.692 176.728 177.300 0.201 0.000 1.195 21 P CA 0.145 63.204 63.100 -0.069 0.000 0.762 21 P CB 0.350 32.051 31.700 0.001 0.000 0.799 22 L N 3.109 124.378 121.223 0.078 0.000 2.397 22 L HA 0.218 4.558 4.340 0.000 0.000 0.271 22 L C 1.383 178.271 176.870 0.031 0.000 1.148 22 L CA -0.168 54.727 54.840 0.092 0.000 0.825 22 L CB 0.249 42.300 42.059 -0.013 0.000 1.117 22 L HN 0.366 nan 8.230 nan 0.000 0.456 35 H N 1.346 120.475 119.070 0.099 0.000 2.946 35 H HA 0.735 5.291 4.556 0.000 0.000 0.365 35 H C -1.293 174.127 175.328 0.152 0.000 1.197 35 H CA -0.941 55.192 56.048 0.141 0.000 1.131 35 H CB 2.476 32.298 29.762 0.100 0.000 1.849 35 H HN 0.378 nan 8.280 nan 0.000 0.555 36 K N -0.191 120.412 120.400 0.338 0.000 2.422 36 K HA 0.474 4.794 4.320 0.000 0.000 0.251 36 K C -1.386 175.328 176.600 0.191 0.000 0.933 36 K CA -0.786 55.656 56.287 0.258 0.000 0.798 36 K CB 1.798 34.477 32.500 0.299 0.000 1.238 36 K HN 0.190 nan 8.250 nan 0.000 0.428 37 V N 2.650 122.636 119.914 0.119 0.000 2.530 37 V HA 0.277 4.397 4.120 0.000 0.000 0.282 37 V C -0.470 175.651 176.094 0.045 0.000 1.048 37 V CA -0.730 61.607 62.300 0.062 0.000 0.997 37 V CB 1.130 32.977 31.823 0.039 0.000 0.987 37 V HN 0.597 nan 8.190 nan 0.000 0.477 38 V N 7.500 127.417 119.914 0.005 0.000 2.325 38 V HA 0.336 4.456 4.120 0.000 0.000 0.280 38 V C -2.446 173.634 176.094 -0.023 0.000 1.016 38 V CA -1.667 60.623 62.300 -0.018 0.000 0.818 38 V CB 1.565 33.343 31.823 -0.076 0.000 1.019 38 V HN 0.772 nan 8.190 nan 0.000 0.434 39 P HA 0.453 nan 4.420 nan 0.000 0.287 39 P C -0.833 176.461 177.300 -0.011 0.000 1.294 39 P CA -0.145 62.949 63.100 -0.010 0.000 0.776 39 P CB 0.991 32.689 31.700 -0.004 0.000 0.889 40 L N 3.622 124.840 121.223 -0.008 0.000 2.346 40 L HA 0.574 4.914 4.340 0.000 0.000 0.274 40 L C -0.175 176.701 176.870 0.011 0.000 1.007 40 L CA -1.158 53.680 54.840 -0.003 0.000 0.818 40 L CB 1.855 43.910 42.059 -0.006 0.000 1.284 40 L HN 0.210 nan 8.230 nan 0.000 0.424 41 L N 4.072 125.302 121.223 0.012 0.000 2.333 41 L HA 0.611 4.952 4.340 0.000 0.000 0.280 41 L C -0.835 176.040 176.870 0.010 0.000 1.004 41 L CA 0.014 54.868 54.840 0.023 0.000 0.820 41 L CB 1.443 43.517 42.059 0.025 0.000 1.247 41 L HN 0.375 nan 8.230 nan 0.000 0.416 42 I N 6.179 126.751 120.570 0.003 0.000 2.389 42 I HA 0.377 4.548 4.170 0.000 0.000 0.288 42 I C -0.792 175.259 176.117 -0.111 0.000 0.999 42 I CA -0.506 60.748 61.300 -0.077 0.000 1.129 42 I CB 1.489 39.437 38.000 -0.087 0.000 1.288 42 I HN 0.432 nan 8.210 nan 0.000 0.444 43 L N 5.905 127.037 121.223 -0.151 0.000 2.317 43 L HA 0.515 4.855 4.340 0.000 0.000 0.281 43 L C -0.410 176.329 176.870 -0.218 0.000 1.024 43 L CA -0.685 54.104 54.840 -0.085 0.000 0.810 43 L CB 1.130 43.191 42.059 0.003 0.000 1.240 43 L HN 0.518 nan 8.230 nan 0.000 0.427 44 H N 1.964 121.081 119.070 0.079 0.000 2.489 44 H HA 0.714 5.270 4.556 0.000 0.000 0.343 44 H C -0.175 175.212 175.328 0.098 0.000 1.086 44 H CA -0.529 55.562 56.048 0.072 0.000 1.198 44 H CB 2.302 32.100 29.762 0.061 0.000 1.490 44 H HN 0.781 nan 8.280 nan 0.000 0.504 45 G N 1.216 110.136 108.800 0.200 0.000 2.556 45 G HA2 0.198 4.158 3.960 0.000 0.000 0.294 45 G HA3 0.198 4.158 3.960 0.000 0.000 0.294 45 G C -0.781 174.210 174.900 0.150 0.000 1.516 45 G CA -0.851 44.364 45.100 0.192 0.000 0.824 45 G HN 0.451 nan 8.290 nan 0.000 0.535 46 E N -0.702 119.583 120.200 0.142 0.000 2.586 46 E HA -0.267 4.083 4.350 0.000 0.000 0.259 46 E C 1.469 178.116 176.600 0.077 0.000 1.107 46 E CA 1.998 58.466 56.400 0.113 0.000 0.754 46 E CB -1.594 28.190 29.700 0.139 0.000 1.335 46 E HN 2.580 nan 8.360 nan 0.000 0.411 47 G N -1.796 107.051 108.800 0.079 0.000 2.162 47 G HA2 -0.346 3.614 3.960 0.000 0.000 0.260 47 G HA3 -0.346 3.614 3.960 0.000 0.000 0.260 47 G C 0.495 175.430 174.900 0.059 0.000 0.976 47 G CA 1.203 46.340 45.100 0.063 0.000 0.655 47 G HN 1.057 nan 8.290 nan 0.000 0.533 48 V N -3.167 116.783 119.914 0.059 0.000 3.164 48 V HA 0.982 5.102 4.120 0.000 0.000 0.313 48 V C -0.383 175.729 176.094 0.029 0.000 1.188 48 V CA -0.282 62.036 62.300 0.030 0.000 1.058 48 V CB 1.816 33.631 31.823 -0.014 0.000 1.110 48 V HN 1.055 nan 8.190 nan 0.000 0.453 49 Q N 0.418 120.202 119.800 -0.028 0.000 2.389 49 Q HA 0.805 5.145 4.340 0.000 0.000 0.277 49 Q C -0.588 175.352 176.000 -0.100 0.000 1.082 49 Q CA -0.635 55.098 55.803 -0.117 0.000 0.810 49 Q CB 2.313 30.925 28.738 -0.211 0.000 1.374 49 Q HN 1.273 nan 8.270 nan 0.000 0.422 50 G N 0.777 109.512 108.800 -0.109 0.000 2.452 50 G HA2 0.600 4.560 3.960 0.000 0.000 0.324 50 G HA3 0.600 4.560 3.960 0.000 0.000 0.324 50 G C -1.141 173.744 174.900 -0.025 0.000 1.214 50 G CA -0.691 44.383 45.100 -0.043 0.000 0.947 50 G HN 0.418 nan 8.290 nan 0.000 0.478 51 V N 0.559 120.501 119.914 0.046 0.000 2.656 51 V HA 0.865 4.985 4.120 0.000 0.000 0.307 51 V C 0.176 176.380 176.094 0.183 0.000 1.051 51 V CA -0.644 61.696 62.300 0.066 0.000 0.893 51 V CB 1.244 33.091 31.823 0.040 0.000 0.999 51 V HN 1.234 nan 8.190 nan 0.000 0.426 52 A N 3.149 126.018 122.820 0.081 0.000 2.527 52 A HA 0.896 5.216 4.320 0.000 0.000 0.293 52 A C -0.981 176.585 177.584 -0.031 0.000 1.117 52 A CA -0.655 51.371 52.037 -0.017 0.000 0.723 52 A CB 1.995 20.915 19.000 -0.134 0.000 1.313 52 A HN 0.857 nan 8.150 nan 0.000 0.411 53 E N 0.839 120.996 120.200 -0.072 0.000 2.199 53 E HA 0.527 4.877 4.350 0.000 0.000 0.265 53 E C 0.173 176.740 176.600 -0.056 0.000 0.882 53 E CA -0.631 55.744 56.400 -0.041 0.000 0.759 53 E CB 1.490 31.180 29.700 -0.017 0.000 1.148 53 E HN 0.956 nan 8.360 nan 0.000 0.412 54 G N 1.731 110.512 108.800 -0.032 0.000 2.442 54 G HA2 0.145 4.105 3.960 0.000 0.000 0.249 54 G HA3 0.145 4.105 3.960 0.000 0.000 0.249 54 G C 0.654 175.541 174.900 -0.022 0.000 1.263 54 G CA 0.078 45.164 45.100 -0.025 0.000 0.846 54 G HN 0.614 nan 8.290 nan 0.000 0.555 55 T N 0.328 114.867 114.554 -0.024 0.000 3.092 55 T HA 0.220 4.570 4.350 0.000 0.000 0.258 55 T C 1.068 175.763 174.700 -0.007 0.000 1.031 55 T CA -0.442 61.641 62.100 -0.028 0.000 0.925 55 T CB -0.095 68.738 68.868 -0.058 0.000 1.036 55 T HN 0.516 nan 8.240 nan 0.000 0.544 56 M N 1.213 120.818 119.600 0.008 0.000 2.241 56 M HA 0.576 5.056 4.480 0.000 0.000 0.335 56 M C -0.615 175.694 176.300 0.016 0.000 1.122 56 M CA -0.195 55.116 55.300 0.020 0.000 1.164 56 M CB 0.318 32.927 32.600 0.014 0.000 1.459 56 M HN 0.077 nan 8.290 nan 0.000 0.461 57 E N 1.183 121.395 120.200 0.020 0.000 2.259 57 E HA 0.659 5.009 4.350 0.000 0.000 0.257 57 E C 0.847 177.453 176.600 0.010 0.000 0.998 57 E CA -0.533 55.879 56.400 0.020 0.000 0.866 57 E CB 1.114 30.829 29.700 0.027 0.000 1.220 57 E HN 0.763 nan 8.360 nan 0.000 0.415 58 A N 1.026 123.853 122.820 0.012 0.000 1.933 58 A HA -0.100 4.220 4.320 0.000 0.000 0.218 58 A C 0.785 178.367 177.584 -0.003 0.000 1.175 58 A CA 1.311 53.351 52.037 0.004 0.000 0.628 58 A CB -0.134 18.870 19.000 0.007 0.000 0.814 58 A HN 0.404 nan 8.150 nan 0.000 0.444 59 R N -0.894 119.605 120.500 -0.002 0.000 2.803 59 R HA 0.400 4.740 4.340 0.000 0.000 0.276 59 R C -2.936 173.351 176.300 -0.022 0.000 0.978 59 R CA -2.200 53.894 56.100 -0.011 0.000 0.939 59 R CB 1.445 31.740 30.300 -0.008 0.000 1.179 59 R HN 0.009 nan 8.270 nan 0.000 0.472 60 P HA 0.135 nan 4.420 nan 0.000 0.247 60 P C -0.354 176.877 177.300 -0.116 0.000 1.756 60 P CA 0.172 63.222 63.100 -0.083 0.000 1.117 60 P CB 0.455 32.098 31.700 -0.095 0.000 1.869 61 M N 1.059 120.613 119.600 -0.078 0.000 2.738 61 M HA 0.030 4.510 4.480 0.000 0.000 0.256 61 M C 1.970 178.212 176.300 -0.096 0.000 1.253 61 M CA 0.979 56.239 55.300 -0.068 0.000 1.223 61 M CB -0.322 32.276 32.600 -0.003 0.000 1.263 61 M HN 0.099 nan 8.290 nan 0.000 0.521 62 Y N 0.796 121.006 120.300 -0.151 0.000 2.243 62 Y HA 0.113 4.663 4.550 0.000 0.000 0.293 62 Y C 1.477 177.198 175.900 -0.298 0.000 1.124 62 Y CA 1.176 59.180 58.100 -0.161 0.000 1.159 62 Y CB 0.503 38.911 38.460 -0.086 0.000 1.008 62 Y HN -0.015 nan 8.280 nan 0.000 0.527 63 R N -0.922 119.308 120.500 -0.450 0.000 3.317 63 R HA 0.088 4.428 4.340 0.000 0.000 0.259 63 R C 0.916 176.969 176.300 -0.411 0.000 1.143 63 R CA 0.157 55.852 56.100 -0.675 0.000 0.969 63 R CB 0.559 30.548 30.300 -0.519 0.000 1.465 63 R HN 0.130 nan 8.270 nan 0.000 0.430 64 E N 0.842 120.856 120.200 -0.310 0.000 2.400 64 E HA 0.047 4.397 4.350 0.000 0.000 0.195 64 E C -0.613 175.943 176.600 -0.073 0.000 1.012 64 E CA 0.726 57.023 56.400 -0.172 0.000 0.875 64 E CB 0.339 30.000 29.700 -0.064 0.000 0.859 64 E HN 0.439 nan 8.360 nan 0.000 0.498 65 E N 1.260 121.434 120.200 -0.045 0.000 2.349 65 E HA 0.281 4.631 4.350 0.000 0.000 0.262 65 E C -0.186 176.404 176.600 -0.018 0.000 1.088 65 E CA 0.046 56.436 56.400 -0.016 0.000 0.899 65 E CB 1.135 30.839 29.700 0.006 0.000 1.044 65 E HN 0.268 nan 8.360 nan 0.000 0.420 66 T N -2.015 112.529 114.554 -0.017 0.000 2.906 66 T HA 0.383 4.733 4.350 0.000 0.000 0.295 66 T C 1.008 175.699 174.700 -0.015 0.000 1.075 66 T CA -0.776 61.315 62.100 -0.015 0.000 1.005 66 T CB 0.726 69.583 68.868 -0.019 0.000 1.136 66 T HN 0.387 nan 8.240 nan 0.000 0.498 67 I N 1.104 121.668 120.570 -0.011 0.000 2.208 67 I HA -0.126 4.044 4.170 0.000 0.000 0.245 67 I C 3.001 179.105 176.117 -0.022 0.000 1.097 67 I CA 1.795 63.087 61.300 -0.012 0.000 1.363 67 I CB -0.670 37.326 38.000 -0.006 0.000 1.051 67 I HN 0.899 nan 8.210 nan 0.000 0.413 68 A N 0.868 123.674 122.820 -0.023 0.000 1.902 68 A HA -0.130 4.190 4.320 0.000 0.000 0.217 68 A C 2.441 179.999 177.584 -0.044 0.000 1.181 68 A CA 1.948 53.967 52.037 -0.029 0.000 0.623 68 A CB -1.438 17.547 19.000 -0.025 0.000 0.818 68 A HN 0.464 nan 8.150 nan 0.000 0.443 69 G N -0.604 108.169 108.800 -0.045 0.000 2.421 69 G HA2 0.019 3.979 3.960 0.000 0.000 0.216 69 G HA3 0.019 3.979 3.960 0.000 0.000 0.216 69 G C 1.764 176.611 174.900 -0.089 0.000 1.171 69 G CA 1.497 46.559 45.100 -0.063 0.000 0.775 69 G HN 0.792 nan 8.290 nan 0.000 0.543 70 A N 0.592 123.372 122.820 -0.066 0.000 1.877 70 A HA 0.113 4.433 4.320 0.000 0.000 0.216 70 A C 2.434 179.962 177.584 -0.094 0.000 1.186 70 A CA 1.262 53.256 52.037 -0.073 0.000 0.620 70 A CB -0.426 18.558 19.000 -0.027 0.000 0.822 70 A HN 0.339 nan 8.150 nan 0.000 0.443 71 L N -0.696 120.487 121.223 -0.066 0.000 2.141 71 L HA -0.167 4.173 4.340 0.000 0.000 0.209 71 L C 2.336 179.148 176.870 -0.097 0.000 1.094 71 L CA 1.748 56.552 54.840 -0.061 0.000 0.763 71 L CB -0.642 41.400 42.059 -0.028 0.000 0.908 71 L HN 0.522 nan 8.230 nan 0.000 0.437 72 D N 0.360 120.695 120.400 -0.108 0.000 2.117 72 D HA -0.224 4.416 4.640 0.000 0.000 0.198 72 D C 2.127 178.298 176.300 -0.216 0.000 0.982 72 D CA 0.804 54.726 54.000 -0.130 0.000 0.828 72 D CB 0.136 40.872 40.800 -0.107 0.000 0.967 72 D HN 0.080 nan 8.370 nan 0.000 0.464 73 L N 0.230 121.280 121.223 -0.288 0.000 2.046 73 L HA -0.046 4.294 4.340 0.000 0.000 0.208 73 L C 2.082 178.600 176.870 -0.586 0.000 1.077 73 L CA 1.420 55.947 54.840 -0.521 0.000 0.747 73 L CB -0.531 41.157 42.059 -0.619 0.000 0.896 73 L HN 0.219 nan 8.230 nan 0.000 0.432 74 L N -0.371 120.644 121.223 -0.347 0.000 1.970 74 L HA -0.237 4.103 4.340 0.000 0.000 0.212 74 L C 2.836 179.580 176.870 -0.210 0.000 1.071 74 L CA 2.074 56.804 54.840 -0.183 0.000 0.751 74 L CB -0.681 41.337 42.059 -0.068 0.000 0.889 74 L HN 0.396 nan 8.230 nan 0.000 0.432 75 R N -0.038 120.321 120.500 -0.236 0.000 2.148 75 R HA -0.028 4.312 4.340 0.000 0.000 0.223 75 R C 1.966 178.114 176.300 -0.253 0.000 1.088 75 R CA 1.293 57.186 56.100 -0.344 0.000 0.985 75 R CB -0.640 29.503 30.300 -0.262 0.000 0.880 75 R HN 0.274 nan 8.270 nan 0.000 0.451 76 G N -0.710 107.965 108.800 -0.207 0.000 2.796 76 G HA2 0.033 3.993 3.960 0.000 0.000 0.210 76 G HA3 0.033 3.993 3.960 0.000 0.000 0.210 76 G C 0.696 175.493 174.900 -0.172 0.000 1.146 76 G CA 0.585 45.588 45.100 -0.163 0.000 0.779 76 G HN 0.347 nan 8.290 nan 0.000 0.535 77 T N -0.925 113.486 114.554 -0.237 0.000 3.388 77 T HA 0.204 4.554 4.350 0.000 0.000 0.254 77 T C 1.804 176.507 174.700 0.005 0.000 1.002 77 T CA -0.320 61.648 62.100 -0.220 0.000 1.164 77 T CB -0.204 68.332 68.868 -0.554 0.000 1.184 77 T HN 0.134 nan 8.240 nan 0.000 0.399 78 F N 1.577 121.445 119.950 -0.136 0.000 2.128 78 F HA 0.110 4.638 4.527 0.000 0.000 0.295 78 F C 2.247 178.015 175.800 -0.054 0.000 1.100 78 F CA 0.576 58.528 58.000 -0.079 0.000 1.260 78 F CB -0.232 38.720 39.000 -0.079 0.000 1.009 78 F HN 0.021 nan 8.300 nan 0.000 0.476 79 L N 0.021 121.305 121.223 0.102 0.000 2.056 79 L HA -0.132 4.208 4.340 0.000 0.000 0.207 79 L C -0.645 176.253 176.870 0.047 0.000 1.078 79 L CA 1.217 56.080 54.840 0.037 0.000 0.749 79 L CB -2.084 39.930 42.059 -0.076 0.000 0.901 79 L HN 0.021 nan 8.230 nan 0.000 0.433 80 P HA -0.183 nan 4.420 nan 0.000 0.218 80 P C 1.384 178.733 177.300 0.081 0.000 1.148 80 P CA 1.701 64.828 63.100 0.044 0.000 0.822 80 P CB -0.007 31.704 31.700 0.020 0.000 0.784 81 A N -0.485 122.402 122.820 0.111 0.000 2.015 81 A HA -0.113 4.207 4.320 0.000 0.000 0.219 81 A C 2.016 179.700 177.584 0.166 0.000 1.163 81 A CA 1.502 53.621 52.037 0.136 0.000 0.646 81 A CB -1.268 17.833 19.000 0.168 0.000 0.806 81 A HN 0.380 nan 8.150 nan 0.000 0.448 82 I N -4.391 116.282 120.570 0.171 0.000 4.139 82 I HA 0.342 4.512 4.170 0.000 0.000 0.320 82 I C 0.073 176.339 176.117 0.250 0.000 1.290 82 I CA -0.286 61.181 61.300 0.277 0.000 1.253 82 I CB 0.012 38.099 38.000 0.144 0.000 1.122 82 I HN -0.059 nan 8.210 nan 0.000 0.421 83 L N 3.552 124.869 121.223 0.157 0.000 2.462 83 L HA 0.336 4.676 4.340 0.000 0.000 0.272 83 L C 1.359 178.288 176.870 0.099 0.000 1.166 83 L CA 1.094 56.016 54.840 0.136 0.000 0.880 83 L CB 0.661 42.789 42.059 0.116 0.000 1.142 83 L HN 0.592 nan 8.230 nan 0.000 0.473 84 G N 1.565 110.418 108.800 0.089 0.000 2.176 84 G HA2 -0.202 3.758 3.960 0.000 0.000 0.253 84 G HA3 -0.202 3.758 3.960 0.000 0.000 0.253 84 G C 0.249 175.135 174.900 -0.023 0.000 0.979 84 G CA -0.382 44.741 45.100 0.037 0.000 0.641 84 G HN 0.505 nan 8.290 nan 0.000 0.530 85 Q N 0.363 120.139 119.800 -0.040 0.000 2.205 85 Q HA 0.652 4.992 4.340 0.000 0.000 0.249 85 Q C -0.245 175.467 176.000 -0.480 0.000 0.948 85 Q CA -0.019 55.607 55.803 -0.295 0.000 0.895 85 Q CB 1.542 30.037 28.738 -0.406 0.000 1.249 85 Q HN 0.211 nan 8.270 nan 0.000 0.458 86 T N 1.802 115.928 114.554 -0.713 0.000 2.823 86 T HA 0.688 5.038 4.350 0.000 0.000 0.279 86 T C -0.785 173.321 174.700 -0.990 0.000 0.998 86 T CA -0.275 61.453 62.100 -0.619 0.000 0.994 86 T CB 0.295 68.964 68.868 -0.332 0.000 0.960 86 T HN 0.246 nan 8.240 nan 0.000 0.448 87 F N 0.221 119.800 119.950 -0.619 0.000 2.576 87 F HA 0.597 5.124 4.527 0.000 0.000 0.313 87 F C 1.006 176.325 175.800 -0.801 0.000 1.078 87 F CA -1.241 56.314 58.000 -0.740 0.000 0.921 87 F CB 1.597 40.023 39.000 -0.956 0.000 1.232 87 F HN 0.635 nan 8.300 nan 0.000 0.459 88 A N 1.678 124.299 122.820 -0.332 0.000 1.970 88 A HA 0.155 4.475 4.320 0.000 0.000 0.216 88 A C 0.192 177.450 177.584 -0.544 0.000 1.170 88 A CA 1.372 53.226 52.037 -0.305 0.000 0.645 88 A CB -0.584 18.301 19.000 -0.192 0.000 0.816 88 A HN 0.833 nan 8.150 nan 0.000 0.447 89 N N -4.344 114.021 118.700 -0.557 0.000 3.227 89 N HA 0.295 5.035 4.740 0.000 0.000 0.241 89 N C -3.140 172.013 175.510 -0.594 0.000 1.480 89 N CA -1.425 51.099 53.050 -0.877 0.000 0.886 89 N CB 0.237 38.240 38.487 -0.807 0.000 1.406 89 N HN -0.290 nan 8.380 nan 0.000 0.514 90 P HA -0.023 nan 4.420 nan 0.000 0.220 90 P C 0.467 177.493 177.300 -0.455 0.000 1.148 90 P CA 1.316 63.972 63.100 -0.740 0.000 0.803 90 P CB 0.274 31.029 31.700 -1.575 0.000 0.782 91 E N -0.185 119.803 120.200 -0.354 0.000 2.110 91 E HA -0.140 4.210 4.350 0.000 0.000 0.193 91 E C 2.118 178.620 176.600 -0.162 0.000 0.988 91 E CA 1.498 57.802 56.400 -0.160 0.000 0.804 91 E CB -1.018 28.635 29.700 -0.079 0.000 0.745 91 E HN 0.152 nan 8.360 nan 0.000 0.458 92 A N 0.401 123.106 122.820 -0.191 0.000 1.969 92 A HA -0.126 4.194 4.320 0.000 0.000 0.218 92 A C 2.415 179.902 177.584 -0.162 0.000 1.169 92 A CA 1.148 53.129 52.037 -0.093 0.000 0.635 92 A CB -0.552 18.441 19.000 -0.012 0.000 0.810 92 A HN 0.145 nan 8.150 nan 0.000 0.445 93 V N -0.154 119.470 119.914 -0.482 0.000 2.295 93 V HA -0.231 3.889 4.120 0.000 0.000 0.246 93 V C 2.773 178.628 176.094 -0.399 0.000 1.049 93 V CA 2.342 64.163 62.300 -0.798 0.000 1.024 93 V CB -0.978 30.376 31.823 -0.782 0.000 0.648 93 V HN 0.549 nan 8.190 nan 0.000 0.447 94 S N -0.073 115.462 115.700 -0.275 0.000 2.370 94 S HA -0.295 4.175 4.470 0.000 0.000 0.226 94 S C 1.839 176.353 174.600 -0.143 0.000 1.033 94 S CA 1.984 60.068 58.200 -0.193 0.000 1.011 94 S CB -0.513 62.618 63.200 -0.114 0.000 0.852 94 S HN 0.793 nan 8.310 nan 0.000 0.457 95 D N 1.311 121.650 120.400 -0.101 0.000 2.178 95 D HA -0.045 4.595 4.640 0.000 0.000 0.201 95 D C 1.769 178.053 176.300 -0.025 0.000 0.980 95 D CA 1.150 55.120 54.000 -0.050 0.000 0.842 95 D CB -0.239 40.543 40.800 -0.029 0.000 0.948 95 D HN 0.358 nan 8.370 nan 0.000 0.472 96 A N -0.276 122.537 122.820 -0.012 0.000 2.168 96 A HA 0.059 4.379 4.320 0.000 0.000 0.215 96 A C 2.117 179.721 177.584 0.034 0.000 1.152 96 A CA 0.354 52.427 52.037 0.060 0.000 0.716 96 A CB -0.511 18.616 19.000 0.212 0.000 0.794 96 A HN 0.377 nan 8.150 nan 0.000 0.465 97 L N -1.218 119.971 121.223 -0.056 0.000 2.478 97 L HA 0.189 4.529 4.340 0.000 0.000 0.223 97 L C 1.495 178.460 176.870 0.158 0.000 1.140 97 L CA 0.449 55.251 54.840 -0.063 0.000 0.842 97 L CB -1.001 40.772 42.059 -0.476 0.000 0.953 97 L HN 0.608 nan 8.230 nan 0.000 0.452 98 G N -0.310 108.533 108.800 0.071 0.000 2.660 98 G HA2 -0.248 3.712 3.960 0.000 0.000 0.215 98 G HA3 -0.248 3.712 3.960 0.000 0.000 0.215 98 G C 0.154 175.036 174.900 -0.030 0.000 1.345 98 G CA -0.195 44.918 45.100 0.021 0.000 0.877 98 G HN 0.052 nan 8.290 nan 0.000 0.549 99 S N 0.283 115.859 115.700 -0.207 0.000 2.622 99 S HA 0.352 4.822 4.470 0.000 0.000 0.236 99 S C 0.385 174.893 174.600 -0.153 0.000 0.956 99 S CA -0.153 57.954 58.200 -0.154 0.000 0.971 99 S CB -0.163 62.943 63.200 -0.156 0.000 0.782 99 S HN 0.444 nan 8.310 nan 0.000 0.468 100 Y N 2.634 122.991 120.300 0.094 0.000 2.702 100 Y HA 0.088 4.638 4.550 0.000 0.000 0.336 100 Y C 1.239 177.197 175.900 0.096 0.000 1.235 100 Y CA -0.014 58.153 58.100 0.111 0.000 1.492 100 Y CB 0.362 38.939 38.460 0.195 0.000 1.308 100 Y HN 0.022 nan 8.280 nan 0.000 0.589 101 R N 1.713 122.344 120.500 0.218 0.000 2.404 101 R HA 0.446 4.786 4.340 0.000 0.000 0.291 101 R C 0.781 177.163 176.300 0.136 0.000 1.025 101 R CA 0.133 56.314 56.100 0.134 0.000 0.991 101 R CB 1.072 31.425 30.300 0.088 0.000 1.053 101 R HN 0.980 nan 8.270 nan 0.000 0.479 102 G N 2.368 111.233 108.800 0.108 0.000 2.566 102 G HA2 -0.406 3.554 3.960 0.000 0.000 0.280 102 G HA3 -0.406 3.554 3.960 0.000 0.000 0.280 102 G C -0.220 174.753 174.900 0.121 0.000 1.225 102 G CA 0.163 45.323 45.100 0.099 0.000 0.966 102 G HN 0.863 nan 8.290 nan 0.000 0.560 103 N N -0.326 118.435 118.700 0.101 0.000 2.727 103 N HA -0.193 4.547 4.740 0.000 0.000 0.249 103 N C 1.565 177.154 175.510 0.131 0.000 1.048 103 N CA 1.227 54.341 53.050 0.107 0.000 0.714 103 N CB -0.316 38.238 38.487 0.112 0.000 0.959 103 N HN 0.678 nan 8.380 nan 0.000 0.544 104 R N 0.280 120.837 120.500 0.095 0.000 2.092 104 R HA 0.020 4.360 4.340 0.000 0.000 0.231 104 R C 2.153 178.490 176.300 0.061 0.000 1.119 104 R CA 1.153 57.297 56.100 0.075 0.000 0.970 104 R CB -0.052 30.282 30.300 0.056 0.000 0.864 104 R HN 0.444 nan 8.270 nan 0.000 0.440 105 M N -0.121 119.514 119.600 0.058 0.000 2.200 105 M HA -0.047 4.433 4.480 0.000 0.000 0.265 105 M C 2.495 178.826 176.300 0.051 0.000 1.066 105 M CA 1.457 56.779 55.300 0.037 0.000 1.127 105 M CB -0.290 32.331 32.600 0.034 0.000 1.379 105 M HN 0.147 nan 8.290 nan 0.000 0.420 106 A N 0.824 123.698 122.820 0.091 0.000 1.877 106 A HA -0.155 4.165 4.320 0.000 0.000 0.216 106 A C 2.162 179.888 177.584 0.237 0.000 1.186 106 A CA 1.525 53.649 52.037 0.146 0.000 0.620 106 A CB -0.608 18.472 19.000 0.134 0.000 0.822 106 A HN 0.410 nan 8.150 nan 0.000 0.443 107 R N -0.519 120.124 120.500 0.238 0.000 2.091 107 R HA -0.131 4.210 4.340 0.000 0.000 0.238 107 R C 2.423 178.707 176.300 -0.026 0.000 1.136 107 R CA 1.270 57.384 56.100 0.022 0.000 0.959 107 R CB -0.497 29.777 30.300 -0.042 0.000 0.856 107 R HN 0.521 nan 8.270 nan 0.000 0.437 108 A N 0.910 123.729 122.820 -0.002 0.000 1.972 108 A HA -0.162 4.158 4.320 0.000 0.000 0.219 108 A C 2.143 179.698 177.584 -0.049 0.000 1.169 108 A CA 1.268 53.281 52.037 -0.039 0.000 0.635 108 A CB -0.396 18.567 19.000 -0.062 0.000 0.810 108 A HN 0.205 nan 8.150 nan 0.000 0.446 109 M N -0.794 118.794 119.600 -0.019 0.000 2.080 109 M HA -0.161 4.319 4.480 0.000 0.000 0.260 109 M C 2.108 178.402 176.300 -0.010 0.000 1.068 109 M CA 1.635 56.922 55.300 -0.022 0.000 1.109 109 M CB -0.497 32.111 32.600 0.013 0.000 1.342 109 M HN 0.276 nan 8.290 nan 0.000 0.405 110 V N -0.051 119.863 119.914 -0.001 0.000 2.307 110 V HA -0.226 3.894 4.120 0.000 0.000 0.245 110 V C 2.424 178.494 176.094 -0.041 0.000 1.045 110 V CA 1.848 64.131 62.300 -0.028 0.000 1.024 110 V CB -0.796 30.981 31.823 -0.078 0.000 0.651 110 V HN 0.484 nan 8.190 nan 0.000 0.449 111 E N 0.046 120.222 120.200 -0.040 0.000 2.077 111 E HA -0.219 4.131 4.350 0.000 0.000 0.193 111 E C 2.190 178.902 176.600 0.187 0.000 0.989 111 E CA 1.734 58.147 56.400 0.021 0.000 0.800 111 E CB -0.128 29.598 29.700 0.043 0.000 0.746 111 E HN 0.573 nan 8.360 nan 0.000 0.452 112 M N -0.166 119.520 119.600 0.143 0.000 2.200 112 M HA -0.067 4.413 4.480 0.000 0.000 0.265 112 M C 2.417 178.881 176.300 0.274 0.000 1.066 112 M CA 1.313 56.750 55.300 0.230 0.000 1.127 112 M CB -0.156 32.332 32.600 -0.187 0.000 1.379 112 M HN 0.085 nan 8.290 nan 0.000 0.420 113 A N 0.557 123.447 122.820 0.116 0.000 1.933 113 A HA -0.033 4.287 4.320 0.000 0.000 0.218 113 A C 2.376 180.013 177.584 0.088 0.000 1.175 113 A CA 1.830 53.934 52.037 0.111 0.000 0.628 113 A CB -0.849 18.175 19.000 0.040 0.000 0.814 113 A HN 0.479 nan 8.150 nan 0.000 0.444 114 A N -1.407 121.440 122.820 0.044 0.000 1.902 114 A HA -0.145 4.175 4.320 0.000 0.000 0.217 114 A C 1.963 179.503 177.584 -0.073 0.000 1.181 114 A CA 1.308 53.312 52.037 -0.056 0.000 0.623 114 A CB -0.876 18.045 19.000 -0.132 0.000 0.818 114 A HN 0.736 nan 8.150 nan 0.000 0.443 115 W N 0.003 121.355 121.300 0.088 0.000 2.335 115 W HA -0.174 4.486 4.660 0.000 0.000 0.311 115 W C 2.079 178.633 176.519 0.057 0.000 1.213 115 W CA 1.497 58.919 57.345 0.130 0.000 1.274 115 W CB -0.230 29.333 29.460 0.171 0.000 1.148 115 W HN 0.462 nan 8.180 nan 0.000 0.498 116 D N -0.089 120.479 120.400 0.279 0.000 2.097 116 D HA -0.195 4.446 4.640 0.000 0.000 0.195 116 D C 2.024 178.316 176.300 -0.014 0.000 0.989 116 D CA 1.340 55.389 54.000 0.083 0.000 0.827 116 D CB -0.447 40.408 40.800 0.092 0.000 0.966 116 D HN -0.005 nan 8.370 nan 0.000 0.456 117 L N 0.516 121.713 121.223 -0.042 0.000 1.994 117 L HA -0.088 4.252 4.340 0.000 0.000 0.208 117 L C 2.224 178.962 176.870 -0.220 0.000 1.071 117 L CA 1.887 56.644 54.840 -0.139 0.000 0.745 117 L CB -0.999 40.959 42.059 -0.168 0.000 0.892 117 L HN 0.396 nan 8.230 nan 0.000 0.431 118 W N 0.384 121.347 121.300 -0.561 0.000 2.333 118 W HA -0.305 4.355 4.660 0.000 0.000 0.316 118 W C 2.139 178.504 176.519 -0.256 0.000 1.215 118 W CA 1.821 58.798 57.345 -0.614 0.000 1.278 118 W CB -0.294 28.785 29.460 -0.634 0.000 1.154 118 W HN 0.360 nan 8.180 nan 0.000 0.486 119 A N 1.314 123.992 122.820 -0.236 0.000 1.908 119 A HA -0.239 4.081 4.320 0.000 0.000 0.218 119 A C 1.996 179.409 177.584 -0.285 0.000 1.181 119 A CA 2.048 53.899 52.037 -0.310 0.000 0.627 119 A CB -0.939 17.990 19.000 -0.120 0.000 0.818 119 A HN 0.456 nan 8.150 nan 0.000 0.445 120 R N -0.709 119.668 120.500 -0.204 0.000 2.148 120 R HA -0.065 4.275 4.340 0.000 0.000 0.223 120 R C 2.376 178.579 176.300 -0.162 0.000 1.088 120 R CA 1.555 57.560 56.100 -0.158 0.000 0.985 120 R CB -0.549 29.685 30.300 -0.111 0.000 0.880 120 R HN 0.775 nan 8.270 nan 0.000 0.451 121 T N -1.045 113.388 114.554 -0.202 0.000 2.915 121 T HA -0.041 4.309 4.350 0.000 0.000 0.269 121 T C 1.725 176.298 174.700 -0.212 0.000 1.071 121 T CA 0.905 62.910 62.100 -0.159 0.000 1.132 121 T CB -0.067 68.748 68.868 -0.089 0.000 0.878 121 T HN 0.153 nan 8.240 nan 0.000 0.479 122 L N 0.224 121.239 121.223 -0.347 0.000 2.529 122 L HA 0.386 4.726 4.340 0.000 0.000 0.223 122 L C 2.050 178.796 176.870 -0.207 0.000 1.113 122 L CA 0.365 55.009 54.840 -0.327 0.000 0.861 122 L CB -0.546 41.206 42.059 -0.512 0.000 1.012 122 L HN 0.559 nan 8.230 nan 0.000 0.461 123 G N 1.083 109.776 108.800 -0.179 0.000 2.176 123 G HA2 -0.232 3.728 3.960 0.000 0.000 0.252 123 G HA3 -0.232 3.728 3.960 0.000 0.000 0.252 123 G C -0.042 174.789 174.900 -0.116 0.000 1.024 123 G CA 0.186 45.213 45.100 -0.123 0.000 0.755 123 G HN 0.140 nan 8.290 nan 0.000 0.507 124 V N 0.432 120.257 119.914 -0.148 0.000 2.628 124 V HA 0.544 4.664 4.120 0.000 0.000 0.306 124 V C -1.832 174.199 176.094 -0.106 0.000 1.045 124 V CA -1.998 60.233 62.300 -0.115 0.000 0.905 124 V CB 2.170 33.914 31.823 -0.131 0.000 0.997 124 V HN 0.069 nan 8.190 nan 0.000 0.436 125 P HA 0.035 nan 4.420 nan 0.000 0.266 125 P C 0.597 177.836 177.300 -0.102 0.000 1.195 125 P CA -0.104 62.967 63.100 -0.048 0.000 0.768 125 P CB 0.617 32.360 31.700 0.073 0.000 0.838 126 L N 4.492 125.534 121.223 -0.301 0.000 2.012 126 L HA -0.081 4.259 4.340 0.000 0.000 0.210 126 L C 2.210 178.975 176.870 -0.174 0.000 1.073 126 L CA 2.641 57.298 54.840 -0.305 0.000 0.748 126 L CB -1.697 40.006 42.059 -0.593 0.000 0.891 126 L HN 0.508 nan 8.230 nan 0.000 0.431 127 G N -1.864 106.976 108.800 0.067 0.000 2.442 127 G HA2 -0.269 3.691 3.960 0.000 0.000 0.219 127 G HA3 -0.269 3.691 3.960 0.000 0.000 0.219 127 G C 1.427 176.310 174.900 -0.028 0.000 1.141 127 G CA 1.245 46.357 45.100 0.021 0.000 0.763 127 G HN 0.461 nan 8.290 nan 0.000 0.554 128 T N 1.401 115.964 114.554 0.015 0.000 2.684 128 T HA -0.077 4.273 4.350 0.000 0.000 0.267 128 T C 2.372 177.083 174.700 0.018 0.000 1.036 128 T CA 1.022 63.134 62.100 0.020 0.000 1.148 128 T CB -0.226 68.654 68.868 0.021 0.000 0.863 128 T HN 0.180 nan 8.240 nan 0.000 0.436 129 L N 0.328 121.560 121.223 0.015 0.000 2.201 129 L HA 0.044 4.384 4.340 0.000 0.000 0.212 129 L C 2.119 179.013 176.870 0.040 0.000 1.105 129 L CA 0.836 55.731 54.840 0.092 0.000 0.775 129 L CB -0.455 41.742 42.059 0.231 0.000 0.913 129 L HN 0.269 nan 8.230 nan 0.000 0.440 130 L N -0.790 120.360 121.223 -0.122 0.000 2.554 130 L HA 0.130 4.470 4.340 0.000 0.000 0.226 130 L C 1.487 178.305 176.870 -0.087 0.000 1.137 130 L CA 0.666 55.387 54.840 -0.198 0.000 0.863 130 L CB -0.240 41.608 42.059 -0.351 0.000 0.985 130 L HN 0.470 nan 8.230 nan 0.000 0.451 131 G N -0.402 108.381 108.800 -0.027 0.000 2.179 131 G HA2 -0.189 3.771 3.960 0.000 0.000 0.220 131 G HA3 -0.189 3.771 3.960 0.000 0.000 0.220 131 G C 0.502 175.407 174.900 0.007 0.000 0.990 131 G CA -0.332 44.780 45.100 0.021 0.000 0.646 131 G HN 0.476 nan 8.290 nan 0.000 0.517 132 G N -0.388 108.378 108.800 -0.055 0.000 2.476 132 G HA2 0.616 4.576 3.960 0.000 0.000 0.269 132 G HA3 0.616 4.576 3.960 0.000 0.000 0.269 132 G C 0.122 174.990 174.900 -0.052 0.000 1.195 132 G CA 0.258 45.283 45.100 -0.124 0.000 0.843 132 G HN 1.355 nan 8.290 nan 0.000 0.545 133 H N -1.881 117.186 119.070 -0.005 0.000 2.904 133 H HA 0.348 4.904 4.556 0.000 0.000 0.242 133 H C 0.140 175.463 175.328 -0.009 0.000 1.193 133 H CA -0.686 55.358 56.048 -0.005 0.000 0.946 133 H CB -0.261 29.505 29.762 0.006 0.000 2.135 133 H HN 0.314 nan 8.280 nan 0.000 0.652 134 K N 0.946 121.299 120.400 -0.078 0.000 2.185 134 K HA 0.158 4.478 4.320 0.000 0.000 0.271 134 K C 0.101 176.680 176.600 -0.036 0.000 1.013 134 K CA -0.185 56.083 56.287 -0.033 0.000 0.943 134 K CB 1.415 33.875 32.500 -0.065 0.000 0.998 134 K HN 0.424 nan 8.250 nan 0.000 0.468 135 E N 1.027 121.215 120.200 -0.020 0.000 2.415 135 E HA -0.063 4.287 4.350 0.000 0.000 0.197 135 E C -0.066 176.501 176.600 -0.054 0.000 1.007 135 E CA 0.220 56.599 56.400 -0.036 0.000 0.890 135 E CB 0.500 30.192 29.700 -0.013 0.000 0.891 135 E HN 0.500 nan 8.360 nan 0.000 0.496 136 Q N 0.113 119.886 119.800 -0.045 0.000 2.462 136 Q HA 0.552 4.892 4.340 0.000 0.000 0.285 136 Q C -0.921 175.057 176.000 -0.036 0.000 1.035 136 Q CA -1.083 54.694 55.803 -0.044 0.000 0.799 136 Q CB 2.215 30.939 28.738 -0.025 0.000 1.452 136 Q HN -0.022 nan 8.270 nan 0.000 0.404 137 V N -2.286 117.610 119.914 -0.029 0.000 2.789 137 V HA 0.572 4.692 4.120 0.000 0.000 0.311 137 V C -0.619 175.491 176.094 0.028 0.000 1.073 137 V CA -0.868 61.427 62.300 -0.008 0.000 0.921 137 V CB 1.895 33.693 31.823 -0.043 0.000 1.009 137 V HN 0.879 nan 8.190 nan 0.000 0.426 138 E N 2.178 122.411 120.200 0.055 0.000 2.354 138 E HA 0.552 4.902 4.350 0.000 0.000 0.269 138 E C -0.463 176.198 176.600 0.102 0.000 1.036 138 E CA -0.344 56.098 56.400 0.069 0.000 0.876 138 E CB 1.984 31.727 29.700 0.071 0.000 1.009 138 E HN 0.974 nan 8.360 nan 0.000 0.416 139 V N -0.835 119.151 119.914 0.120 0.000 2.925 139 V HA 0.897 5.017 4.120 0.000 0.000 0.311 139 V C -0.008 176.226 176.094 0.233 0.000 1.104 139 V CA -0.673 61.733 62.300 0.177 0.000 0.954 139 V CB 1.775 33.729 31.823 0.218 0.000 1.022 139 V HN 0.711 nan 8.190 nan 0.000 0.427 140 G N 1.056 109.943 108.800 0.146 0.000 3.108 140 G HA2 0.887 4.847 3.960 0.000 0.000 0.268 140 G HA3 0.887 4.847 3.960 0.000 0.000 0.268 140 G C -0.708 174.083 174.900 -0.182 0.000 1.361 140 G CA -0.334 44.793 45.100 0.043 0.000 1.047 140 G HN 1.955 nan 8.290 nan 0.000 0.540 141 V N -2.828 116.881 119.914 -0.343 0.000 3.078 141 V HA 0.884 5.004 4.120 0.000 0.000 0.311 141 V C -0.498 175.402 176.094 -0.323 0.000 1.138 141 V CA -0.959 61.061 62.300 -0.467 0.000 1.007 141 V CB 1.565 32.883 31.823 -0.842 0.000 1.045 141 V HN 0.975 nan 8.190 nan 0.000 0.432 142 S N 3.200 118.743 115.700 -0.263 0.000 2.478 142 S HA 0.829 5.299 4.470 0.000 0.000 0.312 142 S C -0.683 173.795 174.600 -0.203 0.000 1.094 142 S CA -0.648 57.448 58.200 -0.173 0.000 1.081 142 S CB 1.179 64.349 63.200 -0.050 0.000 1.007 142 S HN 0.752 nan 8.310 nan 0.000 0.475 143 L N 2.461 123.576 121.223 -0.180 0.000 2.334 143 L HA 0.699 5.039 4.340 0.000 0.000 0.276 143 L C 1.043 177.880 176.870 -0.055 0.000 1.014 143 L CA -0.900 53.846 54.840 -0.157 0.000 0.815 143 L CB 1.486 43.440 42.059 -0.176 0.000 1.268 143 L HN 0.863 nan 8.230 nan 0.000 0.428 144 G N 2.016 110.797 108.800 -0.032 0.000 2.611 144 G HA2 0.419 4.379 3.960 0.000 0.000 0.273 144 G HA3 0.419 4.379 3.960 0.000 0.000 0.273 144 G C -0.086 174.846 174.900 0.054 0.000 1.305 144 G CA -0.711 44.396 45.100 0.012 0.000 1.010 144 G HN 0.467 nan 8.290 nan 0.000 0.509 145 I N 0.978 121.592 120.570 0.073 0.000 2.556 145 I HA 0.078 4.248 4.170 0.000 0.000 0.284 145 I C 0.250 176.392 176.117 0.042 0.000 1.114 145 I CA -0.087 61.282 61.300 0.115 0.000 1.418 145 I CB 0.952 39.000 38.000 0.082 0.000 1.394 145 I HN 0.297 nan 8.210 nan 0.000 0.552 146 Q N 4.324 124.176 119.800 0.087 0.000 2.252 146 Q HA 0.447 4.787 4.340 0.000 0.000 0.256 146 Q C 0.756 176.684 176.000 -0.120 0.000 1.020 146 Q CA -0.583 55.232 55.803 0.021 0.000 0.913 146 Q CB 1.305 30.101 28.738 0.097 0.000 1.286 146 Q HN 0.741 nan 8.270 nan 0.000 0.480 147 A N 0.408 123.160 122.820 -0.112 0.000 1.969 147 A HA -0.089 4.231 4.320 0.000 0.000 0.218 147 A C 0.121 177.540 177.584 -0.275 0.000 1.169 147 A CA 2.154 54.070 52.037 -0.201 0.000 0.635 147 A CB -0.184 18.750 19.000 -0.109 0.000 0.810 147 A HN 0.788 nan 8.150 nan 0.000 0.445 148 D N -4.337 116.020 120.400 -0.072 0.000 2.779 148 D HA 0.199 4.839 4.640 0.000 0.000 0.331 148 D C 0.201 176.730 176.300 0.381 0.000 1.331 148 D CA -0.314 53.744 54.000 0.097 0.000 0.866 148 D CB -0.218 40.614 40.800 0.053 0.000 1.409 148 D HN -0.027 nan 8.370 nan 0.000 0.486 149 E N -0.963 119.479 120.200 0.404 0.000 2.051 149 E HA -0.245 4.105 4.350 0.000 0.000 0.192 149 E C 1.443 178.129 176.600 0.143 0.000 0.991 149 E CA 1.388 57.932 56.400 0.239 0.000 0.799 149 E CB -0.003 29.771 29.700 0.123 0.000 0.748 149 E HN 0.391 nan 8.360 nan 0.000 0.449 150 Q N 0.681 120.546 119.800 0.109 0.000 2.124 150 Q HA -0.100 4.240 4.340 0.000 0.000 0.202 150 Q C 1.872 177.922 176.000 0.082 0.000 0.977 150 Q CA 1.734 57.581 55.803 0.074 0.000 0.850 150 Q CB -0.314 28.455 28.738 0.051 0.000 0.901 150 Q HN 0.259 nan 8.270 nan 0.000 0.429 151 A N -0.998 121.875 122.820 0.089 0.000 1.969 151 A HA -0.149 4.171 4.320 0.000 0.000 0.218 151 A C 2.230 179.874 177.584 0.100 0.000 1.169 151 A CA 1.843 53.927 52.037 0.078 0.000 0.635 151 A CB -0.833 18.201 19.000 0.057 0.000 0.810 151 A HN 0.465 nan 8.150 nan 0.000 0.445 152 T N -0.353 114.282 114.554 0.137 0.000 2.701 152 T HA -0.112 4.239 4.350 0.000 0.000 0.263 152 T C 1.896 176.666 174.700 0.116 0.000 1.040 152 T CA 1.599 63.779 62.100 0.133 0.000 1.147 152 T CB -0.452 68.512 68.868 0.159 0.000 0.865 152 T HN 0.148 nan 8.240 nan 0.000 0.426 153 V N 2.211 122.198 119.914 0.123 0.000 2.332 153 V HA -0.185 3.935 4.120 0.000 0.000 0.248 153 V C 2.355 178.564 176.094 0.193 0.000 1.055 153 V CA 1.776 64.180 62.300 0.172 0.000 1.038 153 V CB -0.616 31.275 31.823 0.115 0.000 0.651 153 V HN 0.421 nan 8.190 nan 0.000 0.450 154 D N -0.241 120.235 120.400 0.127 0.000 2.117 154 D HA -0.142 4.498 4.640 0.000 0.000 0.197 154 D C 1.930 178.293 176.300 0.105 0.000 0.987 154 D CA 1.114 55.178 54.000 0.106 0.000 0.829 154 D CB -0.256 40.585 40.800 0.068 0.000 0.961 154 D HN 0.351 nan 8.370 nan 0.000 0.460 155 L N 0.454 121.741 121.223 0.106 0.000 2.109 155 L HA -0.080 4.260 4.340 0.000 0.000 0.207 155 L C 2.185 179.167 176.870 0.186 0.000 1.086 155 L CA 1.092 56.009 54.840 0.128 0.000 0.760 155 L CB -0.347 41.783 42.059 0.117 0.000 0.910 155 L HN -0.145 nan 8.230 nan 0.000 0.437 156 V N -0.014 119.968 119.914 0.114 0.000 2.343 156 V HA -0.305 3.815 4.120 0.000 0.000 0.247 156 V C 2.774 178.823 176.094 -0.075 0.000 1.051 156 V CA 2.093 64.396 62.300 0.004 0.000 1.036 156 V CB -0.739 31.046 31.823 -0.064 0.000 0.654 156 V HN 0.512 nan 8.190 nan 0.000 0.451 157 R N -0.104 120.445 120.500 0.081 0.000 2.091 157 R HA -0.175 4.165 4.340 0.000 0.000 0.238 157 R C 2.575 178.899 176.300 0.040 0.000 1.136 157 R CA 1.593 57.790 56.100 0.161 0.000 0.959 157 R CB -0.193 30.298 30.300 0.317 0.000 0.856 157 R HN 0.438 nan 8.270 nan 0.000 0.437 158 R N -0.902 119.601 120.500 0.006 0.000 2.083 158 R HA -0.171 4.169 4.340 0.000 0.000 0.237 158 R C 2.109 178.305 176.300 -0.174 0.000 1.137 158 R CA 2.064 58.096 56.100 -0.113 0.000 0.951 158 R CB -0.550 29.619 30.300 -0.218 0.000 0.851 158 R HN 0.505 nan 8.270 nan 0.000 0.434 159 H N -0.449 118.617 119.070 -0.008 0.000 2.403 159 H HA 0.000 4.556 4.556 0.000 0.000 0.298 159 H C 2.136 177.489 175.328 0.042 0.000 1.059 159 H CA 0.989 57.074 56.048 0.062 0.000 1.363 159 H CB 0.037 29.795 29.762 -0.007 0.000 1.410 159 H HN -0.095 nan 8.280 nan 0.000 0.528 160 V N 0.883 120.792 119.914 -0.008 0.000 2.407 160 V HA -0.226 3.894 4.120 0.000 0.000 0.248 160 V C 1.789 177.863 176.094 -0.032 0.000 1.055 160 V CA 1.885 64.124 62.300 -0.101 0.000 1.049 160 V CB -0.306 31.300 31.823 -0.362 0.000 0.662 160 V HN 0.511 nan 8.190 nan 0.000 0.455 161 E N -0.538 119.652 120.200 -0.016 0.000 2.418 161 E HA -0.153 4.197 4.350 0.000 0.000 0.197 161 E C 2.028 178.604 176.600 -0.040 0.000 1.026 161 E CA 0.377 56.770 56.400 -0.012 0.000 0.862 161 E CB 0.013 29.713 29.700 0.001 0.000 0.799 161 E HN 0.541 nan 8.360 nan 0.000 0.518 162 Q N -0.829 118.943 119.800 -0.046 0.000 2.425 162 Q HA 0.048 4.388 4.340 0.000 0.000 0.204 162 Q C 1.225 177.096 176.000 -0.214 0.000 0.933 162 Q CA 0.747 56.480 55.803 -0.116 0.000 0.939 162 Q CB 1.150 29.835 28.738 -0.088 0.000 1.044 162 Q HN 0.404 nan 8.270 nan 0.000 0.513 163 G N 0.440 109.163 108.800 -0.128 0.000 2.141 163 G HA2 -0.300 3.660 3.960 0.000 0.000 0.242 163 G HA3 -0.300 3.660 3.960 0.000 0.000 0.242 163 G C -0.217 174.593 174.900 -0.149 0.000 0.982 163 G CA -0.191 44.830 45.100 -0.132 0.000 0.662 163 G HN 0.337 nan 8.290 nan 0.000 0.527 164 Y N 0.083 120.372 120.300 -0.020 0.000 2.712 164 Y HA 0.222 4.772 4.550 0.000 0.000 0.333 164 Y C 2.043 177.914 175.900 -0.048 0.000 1.225 164 Y CA 0.598 58.685 58.100 -0.023 0.000 1.499 164 Y CB 0.430 38.883 38.460 -0.011 0.000 1.288 164 Y HN 0.130 nan 8.280 nan 0.000 0.575 165 R N 1.644 122.219 120.500 0.125 0.000 2.334 165 R HA 0.145 4.485 4.340 0.000 0.000 0.216 165 R C 0.163 176.460 176.300 -0.004 0.000 0.905 165 R CA 0.072 56.194 56.100 0.037 0.000 1.064 165 R CB 0.429 30.748 30.300 0.032 0.000 1.046 165 R HN 0.406 nan 8.270 nan 0.000 0.508 166 R N 1.080 121.570 120.500 -0.017 0.000 2.561 166 R HA 0.230 4.571 4.340 0.000 0.000 0.266 166 R C -1.834 174.386 176.300 -0.135 0.000 1.091 166 R CA -0.507 55.529 56.100 -0.107 0.000 0.927 166 R CB 1.382 31.582 30.300 -0.166 0.000 1.240 166 R HN -0.078 nan 8.270 nan 0.000 0.449 167 I N 3.591 124.056 120.570 -0.174 0.000 2.378 167 I HA 0.369 4.539 4.170 0.000 0.000 0.291 167 I C 0.011 176.000 176.117 -0.213 0.000 0.992 167 I CA -0.673 60.507 61.300 -0.200 0.000 1.154 167 I CB 1.538 39.422 38.000 -0.194 0.000 1.315 167 I HN 0.507 nan 8.210 nan 0.000 0.448 168 K N 7.368 127.645 120.400 -0.206 0.000 2.307 168 K HA 0.641 4.961 4.320 0.000 0.000 0.263 168 K C -1.500 175.031 176.600 -0.115 0.000 0.973 168 K CA -0.490 55.700 56.287 -0.162 0.000 0.846 168 K CB 1.237 33.662 32.500 -0.126 0.000 1.100 168 K HN 0.539 nan 8.250 nan 0.000 0.438 169 L N 4.305 125.478 121.223 -0.083 0.000 2.282 169 L HA 0.411 4.751 4.340 0.000 0.000 0.288 169 L C 0.060 176.939 176.870 0.016 0.000 1.033 169 L CA -0.931 53.886 54.840 -0.039 0.000 0.807 169 L CB 1.505 43.533 42.059 -0.051 0.000 1.209 169 L HN 0.626 nan 8.230 nan 0.000 0.423 170 K N 4.515 124.946 120.400 0.051 0.000 2.401 170 K HA 0.443 4.763 4.320 0.000 0.000 0.278 170 K C -0.586 176.097 176.600 0.139 0.000 1.018 170 K CA -0.164 56.183 56.287 0.100 0.000 0.981 170 K CB 0.646 33.206 32.500 0.099 0.000 0.933 170 K HN 0.598 nan 8.250 nan 0.000 0.477 171 I N 0.131 120.801 120.570 0.166 0.000 3.145 171 I HA 0.622 4.792 4.170 0.000 0.000 0.313 171 I C -1.413 174.862 176.117 0.263 0.000 1.122 171 I CA -1.076 60.349 61.300 0.208 0.000 0.987 171 I CB 2.251 40.337 38.000 0.144 0.000 1.236 171 I HN 0.666 nan 8.210 nan 0.000 0.453 172 K N 1.168 121.728 120.400 0.268 0.000 2.579 172 K HA 0.621 4.941 4.320 0.000 0.000 0.284 172 K C -3.318 173.327 176.600 0.074 0.000 0.990 172 K CA -1.747 54.598 56.287 0.097 0.000 0.880 172 K CB 1.561 34.102 32.500 0.069 0.000 1.488 172 K HN 0.253 nan 8.250 nan 0.000 0.425 173 P HA 0.128 nan 4.420 nan 0.000 0.271 173 P C -0.278 177.047 177.300 0.041 0.000 1.220 173 P CA -0.155 62.911 63.100 -0.056 0.000 0.768 173 P CB 0.820 32.400 31.700 -0.199 0.000 0.848 174 G N 2.983 111.852 108.800 0.116 0.000 3.963 174 G HA2 0.249 4.209 3.960 0.000 0.000 0.315 174 G HA3 0.249 4.209 3.960 0.000 0.000 0.315 174 G C -1.173 173.905 174.900 0.298 0.000 1.254 174 G CA -0.308 44.892 45.100 0.166 0.000 1.395 174 G HN 0.560 nan 8.290 nan 0.000 0.538 175 W N 3.764 125.092 121.300 0.048 0.000 2.481 175 W HA 0.283 4.943 4.660 0.000 0.000 0.285 175 W C -0.959 175.602 176.519 0.071 0.000 1.017 175 W CA -0.766 56.605 57.345 0.043 0.000 1.499 175 W CB 1.196 30.671 29.460 0.025 0.000 1.381 175 W HN 0.656 nan 8.180 nan 0.000 0.390 176 D N 0.058 120.341 120.400 -0.195 0.000 2.769 176 D HA -0.031 4.609 4.640 0.000 0.000 0.155 176 D C 1.490 177.635 176.300 -0.258 0.000 1.479 176 D CA 0.224 54.129 54.000 -0.159 0.000 1.511 176 D CB 0.235 41.072 40.800 0.063 0.000 1.634 176 D HN -0.042 nan 8.370 nan 0.000 0.282 177 V N 0.925 120.738 119.914 -0.169 0.000 2.407 177 V HA -0.246 3.875 4.120 0.000 0.000 0.248 177 V C 2.332 178.240 176.094 -0.311 0.000 1.055 177 V CA 2.232 64.444 62.300 -0.147 0.000 1.049 177 V CB -0.857 30.954 31.823 -0.019 0.000 0.662 177 V HN 0.145 nan 8.190 nan 0.000 0.455 178 Q N 0.331 119.873 119.800 -0.430 0.000 1.993 178 Q HA -0.113 4.227 4.340 0.000 0.000 0.202 178 Q C 0.086 175.713 176.000 -0.623 0.000 0.984 178 Q CA 2.182 57.671 55.803 -0.524 0.000 0.837 178 Q CB -1.619 26.741 28.738 -0.630 0.000 0.902 178 Q HN 0.541 nan 8.270 nan 0.000 0.423 179 P HA -0.105 nan 4.420 nan 0.000 0.217 179 P C 1.218 178.305 177.300 -0.354 0.000 1.150 179 P CA 1.117 63.889 63.100 -0.546 0.000 0.832 179 P CB 0.072 31.422 31.700 -0.583 0.000 0.787 180 V N 0.948 120.627 119.914 -0.392 0.000 2.307 180 V HA -0.190 3.930 4.120 0.000 0.000 0.245 180 V C 3.043 178.807 176.094 -0.550 0.000 1.045 180 V CA 1.910 63.993 62.300 -0.362 0.000 1.024 180 V CB -1.131 30.515 31.823 -0.296 0.000 0.651 180 V HN 0.065 nan 8.190 nan 0.000 0.449 181 R N 0.306 120.351 120.500 -0.758 0.000 2.083 181 R HA -0.196 4.144 4.340 0.000 0.000 0.237 181 R C 2.290 178.341 176.300 -0.414 0.000 1.137 181 R CA 1.893 57.454 56.100 -0.897 0.000 0.951 181 R CB -0.500 29.444 30.300 -0.594 0.000 0.851 181 R HN 0.475 nan 8.270 nan 0.000 0.434 182 A N -0.090 122.563 122.820 -0.279 0.000 1.902 182 A HA -0.132 4.188 4.320 0.000 0.000 0.217 182 A C 2.204 179.734 177.584 -0.091 0.000 1.181 182 A CA 2.033 53.983 52.037 -0.145 0.000 0.623 182 A CB -0.878 18.064 19.000 -0.097 0.000 0.818 182 A HN 0.485 nan 8.150 nan 0.000 0.443 183 T N -0.709 113.795 114.554 -0.084 0.000 2.737 183 T HA -0.125 4.225 4.350 0.000 0.000 0.265 183 T C 2.138 176.883 174.700 0.075 0.000 1.038 183 T CA 1.697 63.828 62.100 0.050 0.000 1.144 183 T CB -0.216 68.656 68.868 0.007 0.000 0.866 183 T HN 0.471 nan 8.240 nan 0.000 0.434 184 R N 1.506 121.972 120.500 -0.056 0.000 2.115 184 R HA -0.003 4.337 4.340 0.000 0.000 0.230 184 R C 2.104 178.407 176.300 0.004 0.000 1.111 184 R CA 1.516 57.613 56.100 -0.005 0.000 0.976 184 R CB -0.471 29.811 30.300 -0.031 0.000 0.870 184 R HN 0.495 nan 8.270 nan 0.000 0.445 185 E N -0.626 119.543 120.200 -0.051 0.000 2.072 185 E HA -0.118 4.232 4.350 0.000 0.000 0.191 185 E C 1.805 178.338 176.600 -0.113 0.000 0.985 185 E CA 1.252 57.620 56.400 -0.054 0.000 0.801 185 E CB -0.147 29.517 29.700 -0.060 0.000 0.750 185 E HN 0.465 nan 8.360 nan 0.000 0.452 186 A N 0.347 123.060 122.820 -0.178 0.000 2.014 186 A HA -0.044 4.276 4.320 0.000 0.000 0.218 186 A C 0.661 177.798 177.584 -0.745 0.000 1.163 186 A CA 0.804 52.563 52.037 -0.463 0.000 0.652 186 A CB 0.021 18.701 19.000 -0.533 0.000 0.808 186 A HN 0.174 nan 8.150 nan 0.000 0.449 187 F N -1.034 118.903 119.950 -0.023 0.000 2.769 187 F HA 0.328 4.855 4.527 0.000 0.000 0.358 187 F C -2.008 173.783 175.800 -0.015 0.000 1.285 187 F CA -1.736 56.254 58.000 -0.017 0.000 1.199 187 F CB 1.634 40.623 39.000 -0.019 0.000 1.558 187 F HN 0.005 nan 8.300 nan 0.000 0.583 188 P HA -0.088 nan 4.420 nan 0.000 0.222 188 P C 0.480 177.823 177.300 0.070 0.000 1.147 188 P CA 1.385 64.524 63.100 0.066 0.000 0.790 188 P CB 0.420 32.139 31.700 0.031 0.000 0.780 189 D N -0.997 119.455 120.400 0.086 0.000 2.469 189 D HA 0.125 4.765 4.640 0.000 0.000 0.213 189 D C 1.112 177.440 176.300 0.047 0.000 1.135 189 D CA -0.148 53.887 54.000 0.058 0.000 0.834 189 D CB 0.192 41.023 40.800 0.051 0.000 1.009 189 D HN 0.288 nan 8.370 nan 0.000 0.507 190 I N -1.239 119.368 120.570 0.062 0.000 2.882 190 I HA 0.230 4.400 4.170 0.000 0.000 0.286 190 I C 0.519 176.619 176.117 -0.028 0.000 1.139 190 I CA -0.771 60.532 61.300 0.005 0.000 1.379 190 I CB 0.986 38.959 38.000 -0.045 0.000 1.410 190 I HN -0.351 nan 8.210 nan 0.000 0.594 191 R N 4.213 124.678 120.500 -0.057 0.000 2.296 191 R HA 0.439 4.779 4.340 0.000 0.000 0.323 191 R C -1.362 174.854 176.300 -0.141 0.000 1.067 191 R CA -0.482 55.562 56.100 -0.093 0.000 0.946 191 R CB 0.555 30.799 30.300 -0.093 0.000 0.991 191 R HN 0.683 nan 8.270 nan 0.000 0.448 192 L N 4.316 125.443 121.223 -0.160 0.000 2.386 192 L HA 0.534 4.874 4.340 0.000 0.000 0.271 192 L C -0.821 175.885 176.870 -0.273 0.000 0.993 192 L CA -0.036 54.694 54.840 -0.183 0.000 0.819 192 L CB 2.269 44.260 42.059 -0.112 0.000 1.294 192 L HN 0.862 nan 8.230 nan 0.000 0.414 193 T N 1.575 115.937 114.554 -0.319 0.000 2.865 193 T HA 0.857 5.207 4.350 0.000 0.000 0.294 193 T C -0.686 173.884 174.700 -0.216 0.000 1.119 193 T CA -0.278 61.571 62.100 -0.418 0.000 1.007 193 T CB 1.512 69.895 68.868 -0.808 0.000 1.225 193 T HN 0.924 nan 8.240 nan 0.000 0.515 194 V N -1.447 118.392 119.914 -0.125 0.000 2.962 194 V HA 0.803 4.923 4.120 0.000 0.000 0.313 194 V C -1.541 174.609 176.094 0.093 0.000 1.099 194 V CA -0.892 61.398 62.300 -0.017 0.000 0.971 194 V CB 1.952 33.763 31.823 -0.019 0.000 1.028 194 V HN 1.021 nan 8.190 nan 0.000 0.430 195 D N 2.618 123.088 120.400 0.116 0.000 2.427 195 D HA 0.673 5.313 4.640 0.000 0.000 0.226 195 D C 0.617 177.024 176.300 0.178 0.000 1.076 195 D CA 0.116 54.222 54.000 0.177 0.000 0.849 195 D CB 1.748 42.652 40.800 0.174 0.000 1.052 195 D HN 0.915 nan 8.370 nan 0.000 0.515 196 A N 4.083 127.020 122.820 0.194 0.000 2.251 196 A HA 0.046 4.366 4.320 0.000 0.000 0.209 196 A C 1.205 178.974 177.584 0.310 0.000 1.187 196 A CA 0.192 52.388 52.037 0.265 0.000 0.823 196 A CB -0.437 18.643 19.000 0.132 0.000 0.846 196 A HN 0.683 nan 8.150 nan 0.000 0.486 197 N N -0.910 117.932 118.700 0.237 0.000 2.725 197 N HA -0.211 4.529 4.740 0.000 0.000 0.249 197 N C 0.148 175.776 175.510 0.196 0.000 1.103 197 N CA 1.098 54.269 53.050 0.203 0.000 0.707 197 N CB -2.008 36.579 38.487 0.168 0.000 1.043 197 N HN 0.397 nan 8.380 nan 0.000 0.553 198 S N -3.096 112.742 115.700 0.230 0.000 3.581 198 S HA -0.234 4.236 4.470 0.000 0.000 0.354 198 S C 0.906 175.608 174.600 0.171 0.000 1.059 198 S CA 1.084 59.416 58.200 0.220 0.000 1.060 198 S CB -1.656 61.682 63.200 0.230 0.000 0.908 198 S HN 0.926 nan 8.310 nan 0.000 0.475 199 A N -1.266 121.659 122.820 0.176 0.000 2.387 199 A HA 0.545 4.865 4.320 0.000 0.000 0.234 199 A C 0.168 177.593 177.584 -0.265 0.000 1.253 199 A CA 0.247 52.251 52.037 -0.055 0.000 0.894 199 A CB 0.244 19.150 19.000 -0.157 0.000 0.963 199 A HN 0.531 nan 8.150 nan 0.000 0.508 200 Y N -0.896 119.427 120.300 0.037 0.000 2.630 200 Y HA 0.599 5.149 4.550 0.000 0.000 0.337 200 Y C 0.818 176.722 175.900 0.007 0.000 1.051 200 Y CA -0.282 57.828 58.100 0.017 0.000 1.121 200 Y CB 1.627 40.087 38.460 0.001 0.000 1.299 200 Y HN 0.126 nan 8.280 nan 0.000 0.498 201 T N -2.940 111.707 114.554 0.155 0.000 2.742 201 T HA 0.395 4.745 4.350 0.000 0.000 0.282 201 T C 0.517 175.258 174.700 0.067 0.000 1.025 201 T CA -0.871 61.279 62.100 0.083 0.000 1.020 201 T CB 0.621 69.520 68.868 0.052 0.000 1.317 201 T HN 0.580 nan 8.240 nan 0.000 0.538 202 L N 0.558 121.801 121.223 0.034 0.000 2.261 202 L HA 0.002 4.342 4.340 0.000 0.000 0.216 202 L C 3.047 179.934 176.870 0.027 0.000 1.114 202 L CA 1.383 56.234 54.840 0.018 0.000 0.777 202 L CB -0.805 41.260 42.059 0.010 0.000 0.910 202 L HN 0.939 nan 8.230 nan 0.000 0.440 203 A N -0.697 122.146 122.820 0.038 0.000 2.131 203 A HA -0.191 4.129 4.320 0.000 0.000 0.220 203 A C 1.512 179.130 177.584 0.056 0.000 1.158 203 A CA 1.576 53.637 52.037 0.040 0.000 0.665 203 A CB -0.302 18.720 19.000 0.037 0.000 0.795 203 A HN 0.384 nan 8.150 nan 0.000 0.460 204 D N -0.602 119.849 120.400 0.084 0.000 2.368 204 D HA 0.347 4.987 4.640 0.000 0.000 0.218 204 D C 1.731 178.064 176.300 0.055 0.000 1.112 204 D CA 0.707 54.780 54.000 0.121 0.000 0.834 204 D CB 0.237 41.217 40.800 0.301 0.000 0.953 204 D HN 0.405 nan 8.370 nan 0.000 0.505 205 A N 1.004 123.835 122.820 0.018 0.000 1.908 205 A HA -0.108 4.212 4.320 0.000 0.000 0.218 205 A C 2.322 179.896 177.584 -0.017 0.000 1.181 205 A CA 2.012 54.039 52.037 -0.016 0.000 0.627 205 A CB -0.937 18.055 19.000 -0.015 0.000 0.818 205 A HN 0.316 nan 8.150 nan 0.000 0.445 206 G N -0.784 108.017 108.800 0.001 0.000 2.422 206 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 206 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 206 G C 1.695 176.596 174.900 0.002 0.000 1.146 206 G CA 1.231 46.331 45.100 -0.000 0.000 0.769 206 G HN 0.519 nan 8.290 nan 0.000 0.547 207 R N 0.396 120.907 120.500 0.019 0.000 2.075 207 R HA 0.143 4.483 4.340 0.000 0.000 0.232 207 R C 2.497 178.791 176.300 -0.010 0.000 1.126 207 R CA 1.030 57.147 56.100 0.029 0.000 0.963 207 R CB -0.798 29.553 30.300 0.084 0.000 0.858 207 R HN 0.386 nan 8.270 nan 0.000 0.435 208 L N -0.107 121.080 121.223 -0.060 0.000 2.141 208 L HA -0.035 4.305 4.340 0.000 0.000 0.209 208 L C 2.644 179.469 176.870 -0.075 0.000 1.094 208 L CA 1.348 56.112 54.840 -0.126 0.000 0.763 208 L CB -0.383 41.549 42.059 -0.213 0.000 0.908 208 L HN 0.220 nan 8.230 nan 0.000 0.437 209 R N 0.255 120.723 120.500 -0.053 0.000 2.152 209 R HA -0.180 4.160 4.340 0.000 0.000 0.232 209 R C 2.158 178.430 176.300 -0.048 0.000 1.117 209 R CA 1.180 57.252 56.100 -0.047 0.000 0.981 209 R CB -0.023 30.254 30.300 -0.038 0.000 0.870 209 R HN 0.438 nan 8.270 nan 0.000 0.451 210 Q N -0.009 119.772 119.800 -0.030 0.000 2.364 210 Q HA -0.099 4.241 4.340 0.000 0.000 0.209 210 Q C 1.777 177.774 176.000 -0.005 0.000 0.977 210 Q CA 0.840 56.629 55.803 -0.023 0.000 0.885 210 Q CB 0.098 28.846 28.738 0.017 0.000 0.941 210 Q HN 0.416 nan 8.270 nan 0.000 0.464 211 L N 0.200 121.433 121.223 0.017 0.000 2.313 211 L HA -0.121 4.220 4.340 0.000 0.000 0.214 211 L C 1.303 178.173 176.870 0.000 0.000 1.119 211 L CA 0.300 55.196 54.840 0.092 0.000 0.809 211 L CB -0.179 41.900 42.059 0.033 0.000 0.933 211 L HN 0.128 nan 8.230 nan 0.000 0.449 212 D N 0.887 121.241 120.400 -0.076 0.000 2.158 212 D HA -0.240 4.401 4.640 0.000 0.000 0.197 212 D C 1.935 178.135 176.300 -0.168 0.000 0.995 212 D CA 1.551 55.494 54.000 -0.094 0.000 0.846 212 D CB -0.036 40.713 40.800 -0.085 0.000 0.941 212 D HN 0.580 nan 8.370 nan 0.000 0.456 213 E N -0.540 119.456 120.200 -0.340 0.000 2.418 213 E HA -0.174 4.176 4.350 0.000 0.000 0.197 213 E C 0.795 177.104 176.600 -0.484 0.000 1.026 213 E CA 0.675 56.805 56.400 -0.451 0.000 0.862 213 E CB -0.315 29.041 29.700 -0.573 0.000 0.799 213 E HN 0.342 nan 8.360 nan 0.000 0.518 214 Y N 1.316 121.590 120.300 -0.043 0.000 2.468 214 Y HA 0.141 4.691 4.550 0.000 0.000 0.268 214 Y C -0.173 175.698 175.900 -0.048 0.000 1.177 214 Y CA -0.529 57.544 58.100 -0.046 0.000 1.265 214 Y CB 0.074 38.500 38.460 -0.057 0.000 1.103 214 Y HN -0.063 nan 8.280 nan 0.000 0.522 215 D N 0.623 121.041 120.400 0.031 0.000 2.697 215 D HA -0.209 4.431 4.640 0.000 0.000 0.238 215 D C -0.367 175.929 176.300 -0.006 0.000 1.152 215 D CA 0.539 54.542 54.000 0.005 0.000 0.666 215 D CB -1.234 39.570 40.800 0.005 0.000 1.037 215 D HN 0.335 nan 8.370 nan 0.000 0.423 216 L N 0.074 121.288 121.223 -0.016 0.000 2.456 216 L HA 0.046 4.386 4.340 0.000 0.000 0.272 216 L C 2.211 179.016 176.870 -0.109 0.000 1.189 216 L CA -0.048 54.742 54.840 -0.084 0.000 0.846 216 L CB 0.420 42.427 42.059 -0.086 0.000 1.111 216 L HN -0.041 nan 8.230 nan 0.000 0.475 217 T N 0.844 115.270 114.554 -0.213 0.000 2.821 217 T HA -0.061 4.289 4.350 0.000 0.000 0.267 217 T C -0.410 174.256 174.700 -0.058 0.000 1.046 217 T CA 1.416 63.414 62.100 -0.169 0.000 1.139 217 T CB -0.137 68.575 68.868 -0.260 0.000 0.871 217 T HN 0.610 nan 8.240 nan 0.000 0.454 218 Y N -1.992 118.303 120.300 -0.008 0.000 2.702 218 Y HA 0.617 5.167 4.550 0.000 0.000 0.336 218 Y C -1.867 174.043 175.900 0.017 0.000 1.203 218 Y CA -2.287 55.826 58.100 0.022 0.000 1.072 218 Y CB 0.515 39.019 38.460 0.074 0.000 1.327 218 Y HN -0.147 nan 8.280 nan 0.000 0.456 219 I N 2.184 122.907 120.570 0.255 0.000 2.362 219 I HA 0.301 4.471 4.170 0.000 0.000 0.289 219 I C -0.432 175.845 176.117 0.266 0.000 0.994 219 I CA -0.600 60.804 61.300 0.174 0.000 1.158 219 I CB 1.701 39.717 38.000 0.028 0.000 1.315 219 I HN 0.683 nan 8.210 nan 0.000 0.451 220 E N 5.948 126.338 120.200 0.317 0.000 2.229 220 E HA 0.104 4.454 4.350 0.000 0.000 0.283 220 E C -0.180 176.561 176.600 0.235 0.000 1.030 220 E CA -0.590 55.992 56.400 0.303 0.000 0.836 220 E CB 0.721 30.655 29.700 0.390 0.000 1.068 220 E HN 0.466 nan 8.360 nan 0.000 0.401 221 Q N 3.737 123.689 119.800 0.255 0.000 2.426 221 Q HA -0.172 4.168 4.340 0.000 0.000 0.359 221 Q C -1.954 174.193 176.000 0.246 0.000 1.381 221 Q CA 0.631 56.640 55.803 0.344 0.000 1.060 221 Q CB -0.179 28.725 28.738 0.277 0.000 1.253 221 Q HN 0.508 nan 8.270 nan 0.000 0.363 222 P HA -0.126 nan 4.420 nan 0.000 0.219 222 P C 0.322 177.672 177.300 0.083 0.000 1.150 222 P CA 1.079 64.204 63.100 0.042 0.000 0.814 222 P CB 0.288 31.890 31.700 -0.164 0.000 0.787 223 L N -1.122 120.057 121.223 -0.074 0.000 2.805 223 L HA 0.580 4.920 4.340 0.000 0.000 0.242 223 L C 0.953 177.986 176.870 0.272 0.000 1.180 223 L CA -1.518 53.364 54.840 0.070 0.000 1.001 223 L CB -0.566 41.442 42.059 -0.085 0.000 1.864 223 L HN -0.227 nan 8.230 nan 0.000 0.551 224 A N 0.284 123.219 122.820 0.192 0.000 2.520 224 A HA -0.046 4.274 4.320 0.000 0.000 0.235 224 A C 0.878 178.496 177.584 0.058 0.000 1.065 224 A CA -0.100 51.987 52.037 0.084 0.000 0.764 224 A CB -0.181 18.776 19.000 -0.070 0.000 1.002 224 A HN 0.876 nan 8.150 nan 0.000 0.502 225 W N 2.035 123.352 121.300 0.028 0.000 2.392 225 W HA -0.136 4.524 4.660 -0.000 0.000 0.279 225 W C -0.042 176.429 176.519 -0.081 0.000 1.225 225 W CA 1.347 58.671 57.345 -0.034 0.000 1.233 225 W CB -0.496 28.911 29.460 -0.088 0.000 1.122 225 W HN 0.752 nan 8.180 nan 0.000 0.561 226 D N -0.274 119.602 120.400 -0.872 0.000 2.402 226 D HA 0.011 4.651 4.640 0.000 0.000 0.216 226 D C -0.097 175.916 176.300 -0.479 0.000 1.128 226 D CA -0.172 53.306 54.000 -0.870 0.000 0.833 226 D CB -0.684 39.180 40.800 -1.559 0.000 0.971 226 D HN 0.102 nan 8.370 nan 0.000 0.503 227 D N 0.633 120.822 120.400 -0.353 0.000 2.175 227 D HA 0.191 4.831 4.640 0.000 0.000 0.248 227 D C 0.614 176.723 176.300 -0.317 0.000 1.047 227 D CA -0.499 53.353 54.000 -0.246 0.000 0.883 227 D CB 1.941 42.692 40.800 -0.082 0.000 1.180 227 D HN 0.008 nan 8.370 nan 0.000 0.438 228 L N 2.595 123.693 121.223 -0.208 0.000 2.600 228 L HA 0.038 4.378 4.340 0.000 0.000 0.213 228 L C 2.326 179.160 176.870 -0.060 0.000 1.045 228 L CA -0.096 54.637 54.840 -0.179 0.000 0.863 228 L CB -0.044 41.924 42.059 -0.150 0.000 1.189 228 L HN 0.291 nan 8.230 nan 0.000 0.484 229 V N 0.534 120.422 119.914 -0.043 0.000 2.295 229 V HA -0.268 3.852 4.120 0.000 0.000 0.246 229 V C 1.993 178.101 176.094 0.024 0.000 1.049 229 V CA 2.090 64.382 62.300 -0.014 0.000 1.024 229 V CB -0.401 31.407 31.823 -0.025 0.000 0.648 229 V HN 0.395 nan 8.190 nan 0.000 0.447 230 D N -1.311 119.119 120.400 0.050 0.000 2.144 230 D HA -0.125 4.515 4.640 0.000 0.000 0.200 230 D C 2.097 178.455 176.300 0.097 0.000 0.978 230 D CA 1.175 55.213 54.000 0.064 0.000 0.833 230 D CB -0.371 40.467 40.800 0.064 0.000 0.961 230 D HN 0.566 nan 8.370 nan 0.000 0.470 231 H N 0.275 119.329 119.070 -0.027 0.000 2.387 231 H HA -0.051 4.505 4.556 0.000 0.000 0.299 231 H C 1.999 177.313 175.328 -0.024 0.000 1.099 231 H CA 1.106 57.141 56.048 -0.021 0.000 1.315 231 H CB 0.219 29.965 29.762 -0.026 0.000 1.380 231 H HN 0.102 nan 8.280 nan 0.000 0.513 232 A N 1.115 123.993 122.820 0.097 0.000 1.933 232 A HA -0.223 4.097 4.320 0.000 0.000 0.218 232 A C 2.254 179.851 177.584 0.022 0.000 1.175 232 A CA 1.863 53.923 52.037 0.037 0.000 0.628 232 A CB -0.347 18.660 19.000 0.011 0.000 0.814 232 A HN 0.420 nan 8.150 nan 0.000 0.444 233 E N -0.359 119.853 120.200 0.020 0.000 2.047 233 E HA -0.173 4.177 4.350 0.000 0.000 0.191 233 E C 1.807 178.405 176.600 -0.003 0.000 0.987 233 E CA 1.328 57.732 56.400 0.007 0.000 0.799 233 E CB -0.353 29.350 29.700 0.005 0.000 0.752 233 E HN 0.405 nan 8.360 nan 0.000 0.449 234 L N 0.478 121.694 121.223 -0.012 0.000 2.079 234 L HA -0.061 4.279 4.340 0.000 0.000 0.210 234 L C 2.194 179.047 176.870 -0.028 0.000 1.081 234 L CA 2.240 57.058 54.840 -0.036 0.000 0.752 234 L CB -0.902 41.105 42.059 -0.086 0.000 0.896 234 L HN 0.223 nan 8.230 nan 0.000 0.433 235 A N -0.527 122.287 122.820 -0.010 0.000 2.019 235 A HA -0.202 4.118 4.320 0.000 0.000 0.219 235 A C 2.361 179.943 177.584 -0.003 0.000 1.164 235 A CA 1.622 53.657 52.037 -0.002 0.000 0.644 235 A CB -0.559 18.449 19.000 0.014 0.000 0.805 235 A HN 0.544 nan 8.150 nan 0.000 0.449 236 R N -0.909 119.589 120.500 -0.003 0.000 2.189 236 R HA 0.024 4.364 4.340 0.000 0.000 0.218 236 R C 1.842 178.137 176.300 -0.008 0.000 1.074 236 R CA 0.911 57.009 56.100 -0.003 0.000 0.991 236 R CB -0.091 30.208 30.300 -0.002 0.000 0.883 236 R HN 0.426 nan 8.270 nan 0.000 0.457 237 R N 0.491 120.983 120.500 -0.013 0.000 2.265 237 R HA 0.204 4.545 4.340 0.000 0.000 0.194 237 R C 1.032 177.319 176.300 -0.022 0.000 0.931 237 R CA 0.368 56.458 56.100 -0.017 0.000 1.032 237 R CB 0.354 30.643 30.300 -0.018 0.000 0.980 237 R HN 0.234 nan 8.270 nan 0.000 0.497 238 I N -2.988 117.567 120.570 -0.025 0.000 2.892 238 I HA 0.372 4.542 4.170 0.000 0.000 0.306 238 I C 0.580 176.684 176.117 -0.022 0.000 1.078 238 I CA -1.042 60.240 61.300 -0.030 0.000 1.032 238 I CB 2.445 40.419 38.000 -0.043 0.000 1.229 238 I HN -0.247 nan 8.210 nan 0.000 0.435 239 R N 1.135 121.620 120.500 -0.024 0.000 2.223 239 R HA 0.148 4.488 4.340 0.000 0.000 0.198 239 R C 0.165 176.461 176.300 -0.007 0.000 0.984 239 R CA 0.282 56.372 56.100 -0.016 0.000 1.018 239 R CB -0.078 30.209 30.300 -0.023 0.000 0.945 239 R HN 0.674 nan 8.270 nan 0.000 0.479 240 T N 4.074 118.621 114.554 -0.011 0.000 2.888 240 T HA 0.115 4.465 4.350 0.000 0.000 0.301 240 T C -2.332 172.386 174.700 0.030 0.000 1.001 240 T CA -0.932 61.171 62.100 0.004 0.000 1.147 240 T CB 1.081 69.945 68.868 -0.007 0.000 0.931 240 T HN -0.042 nan 8.240 nan 0.000 0.541 241 P HA 0.148 nan 4.420 nan 0.000 0.267 241 P C -0.453 176.920 177.300 0.123 0.000 1.200 241 P CA -0.196 62.958 63.100 0.090 0.000 0.772 241 P CB 0.426 32.201 31.700 0.125 0.000 0.855 242 L N 2.289 123.571 121.223 0.098 0.000 2.334 242 L HA 0.433 4.773 4.340 0.000 0.000 0.277 242 L C 0.325 177.261 176.870 0.109 0.000 1.075 242 L CA -0.602 54.307 54.840 0.115 0.000 0.804 242 L CB 1.284 43.402 42.059 0.099 0.000 1.174 242 L HN 0.436 nan 8.230 nan 0.000 0.438 243 C N 5.072 124.443 119.300 0.119 0.000 2.379 243 C HA 0.623 5.083 4.460 0.000 0.000 0.323 243 C C -0.090 174.927 174.990 0.045 0.000 1.262 243 C CA -0.660 58.357 59.018 -0.000 0.000 1.581 243 C CB 0.178 27.793 27.740 -0.209 0.000 2.221 243 C HN 0.700 nan 8.230 nan 0.000 0.497 244 L N 5.533 126.737 121.223 -0.032 0.000 2.322 244 L HA 0.473 4.813 4.340 0.000 0.000 0.279 244 L C 0.452 177.275 176.870 -0.079 0.000 1.036 244 L CA -0.017 54.797 54.840 -0.043 0.000 0.807 244 L CB 1.449 43.441 42.059 -0.112 0.000 1.226 244 L HN 0.776 nan 8.230 nan 0.000 0.433 245 D N 0.491 120.880 120.400 -0.019 0.000 3.054 245 D HA -0.019 4.621 4.640 0.000 0.000 0.209 245 D C 1.386 177.709 176.300 0.038 0.000 1.527 245 D CA 0.305 54.306 54.000 0.001 0.000 1.427 245 D CB 0.293 41.152 40.800 0.098 0.000 1.059 245 D HN 0.498 nan 8.370 nan 0.000 0.243 246 E N 0.272 120.518 120.200 0.076 0.000 2.204 246 E HA -0.070 4.280 4.350 0.000 0.000 0.195 246 E C 1.820 178.468 176.600 0.080 0.000 0.990 246 E CA 1.437 57.874 56.400 0.062 0.000 0.821 246 E CB -0.091 29.648 29.700 0.064 0.000 0.750 246 E HN 0.300 nan 8.360 nan 0.000 0.477 247 S N -0.629 115.066 115.700 -0.008 0.000 2.593 247 S HA 0.083 4.553 4.470 0.000 0.000 0.217 247 S C 0.600 175.150 174.600 -0.084 0.000 0.966 247 S CA -0.304 57.846 58.200 -0.084 0.000 0.914 247 S CB 0.331 63.402 63.200 -0.214 0.000 0.776 247 S HN -0.061 nan 8.310 nan 0.000 0.523 248 V N 2.026 121.904 119.914 -0.060 0.000 2.275 248 V HA 0.692 4.812 4.120 0.000 0.000 0.272 248 V C 0.580 176.658 176.094 -0.026 0.000 1.028 248 V CA -0.076 62.186 62.300 -0.063 0.000 0.810 248 V CB 0.460 32.227 31.823 -0.094 0.000 1.043 248 V HN 0.454 nan 8.190 nan 0.000 0.453 249 A N 3.786 126.601 122.820 -0.009 0.000 2.503 249 A HA 0.680 5.000 4.320 0.000 0.000 0.263 249 A C 0.644 178.234 177.584 0.010 0.000 1.258 249 A CA 0.494 52.540 52.037 0.015 0.000 0.936 249 A CB 0.208 19.232 19.000 0.041 0.000 1.070 249 A HN 0.944 nan 8.150 nan 0.000 0.522 250 S N -3.334 112.364 115.700 -0.004 0.000 2.615 250 S HA 0.591 5.061 4.470 0.000 0.000 0.268 250 S C 0.726 175.324 174.600 -0.003 0.000 1.146 250 S CA 0.071 58.273 58.200 0.003 0.000 0.818 250 S CB 0.808 64.013 63.200 0.008 0.000 1.111 250 S HN 1.054 nan 8.310 nan 0.000 0.465 251 A N 1.616 124.442 122.820 0.011 0.000 1.933 251 A HA 0.034 4.354 4.320 0.000 0.000 0.218 251 A C 2.306 179.899 177.584 0.014 0.000 1.175 251 A CA 2.257 54.304 52.037 0.017 0.000 0.628 251 A CB -1.514 17.508 19.000 0.037 0.000 0.814 251 A HN 1.662 nan 8.150 nan 0.000 0.444 252 S N 0.188 115.895 115.700 0.012 0.000 2.383 252 S HA -0.162 4.308 4.470 0.000 0.000 0.227 252 S C 1.383 175.973 174.600 -0.015 0.000 1.026 252 S CA 1.301 59.506 58.200 0.009 0.000 0.981 252 S CB -0.482 62.725 63.200 0.010 0.000 0.818 252 S HN 0.488 nan 8.310 nan 0.000 0.472 253 D N 2.617 123.001 120.400 -0.027 0.000 2.117 253 D HA 0.034 4.674 4.640 0.000 0.000 0.197 253 D C 2.284 178.533 176.300 -0.084 0.000 0.987 253 D CA 1.471 55.438 54.000 -0.054 0.000 0.829 253 D CB -0.731 40.037 40.800 -0.054 0.000 0.961 253 D HN 0.551 nan 8.370 nan 0.000 0.460 254 A N 1.239 124.013 122.820 -0.077 0.000 1.902 254 A HA -0.205 4.115 4.320 0.000 0.000 0.217 254 A C 2.185 179.665 177.584 -0.173 0.000 1.181 254 A CA 1.512 53.477 52.037 -0.119 0.000 0.623 254 A CB -0.442 18.508 19.000 -0.083 0.000 0.818 254 A HN 0.055 nan 8.150 nan 0.000 0.443 255 R N 0.412 120.866 120.500 -0.077 0.000 2.083 255 R HA -0.155 4.185 4.340 0.000 0.000 0.237 255 R C 1.902 178.125 176.300 -0.128 0.000 1.137 255 R CA 2.185 58.265 56.100 -0.034 0.000 0.951 255 R CB -0.466 29.904 30.300 0.118 0.000 0.851 255 R HN 0.594 nan 8.270 nan 0.000 0.434 256 K N -0.036 120.312 120.400 -0.087 0.000 2.057 256 K HA -0.052 4.268 4.320 0.000 0.000 0.207 256 K C 2.210 178.726 176.600 -0.140 0.000 1.049 256 K CA 1.428 57.665 56.287 -0.083 0.000 0.931 256 K CB -0.209 32.255 32.500 -0.061 0.000 0.714 256 K HN 0.235 nan 8.250 nan 0.000 0.440 257 A N 1.434 124.147 122.820 -0.178 0.000 1.883 257 A HA -0.152 4.168 4.320 0.000 0.000 0.217 257 A C 2.133 179.560 177.584 -0.261 0.000 1.186 257 A CA 1.401 53.321 52.037 -0.195 0.000 0.624 257 A CB -0.669 18.215 19.000 -0.193 0.000 0.822 257 A HN 0.161 nan 8.150 nan 0.000 0.444 258 L N -1.091 119.859 121.223 -0.456 0.000 2.109 258 L HA -0.088 4.252 4.340 0.000 0.000 0.207 258 L C 3.023 179.560 176.870 -0.555 0.000 1.086 258 L CA 0.852 55.282 54.840 -0.685 0.000 0.760 258 L CB -0.453 40.797 42.059 -1.347 0.000 0.910 258 L HN 0.423 nan 8.230 nan 0.000 0.437 259 A N -0.059 122.511 122.820 -0.417 0.000 1.969 259 A HA -0.101 4.219 4.320 0.000 0.000 0.218 259 A C 2.210 179.782 177.584 -0.021 0.000 1.169 259 A CA 1.122 53.150 52.037 -0.016 0.000 0.635 259 A CB -0.536 18.536 19.000 0.120 0.000 0.810 259 A HN 0.354 nan 8.150 nan 0.000 0.445 260 L N -1.216 119.965 121.223 -0.069 0.000 2.291 260 L HA 0.056 4.396 4.340 0.000 0.000 0.214 260 L C 1.707 178.555 176.870 -0.036 0.000 1.120 260 L CA 0.709 55.524 54.840 -0.043 0.000 0.799 260 L CB -0.305 41.721 42.059 -0.054 0.000 0.925 260 L HN 0.602 nan 8.230 nan 0.000 0.446 261 G N -0.702 108.062 108.800 -0.060 0.000 2.182 261 G HA2 -0.308 3.652 3.960 0.000 0.000 0.248 261 G HA3 -0.308 3.652 3.960 0.000 0.000 0.248 261 G C 0.889 175.772 174.900 -0.028 0.000 1.042 261 G CA 0.369 45.446 45.100 -0.039 0.000 0.775 261 G HN 0.440 nan 8.290 nan 0.000 0.501 262 A N -1.005 121.786 122.820 -0.049 0.000 2.066 262 A HA 0.591 4.911 4.320 0.000 0.000 0.218 262 A C 1.640 179.236 177.584 0.019 0.000 1.157 262 A CA 1.881 53.912 52.037 -0.010 0.000 0.670 262 A CB 0.149 19.111 19.000 -0.062 0.000 0.804 262 A HN 2.176 nan 8.150 nan 0.000 0.453 263 G N -3.929 104.854 108.800 -0.029 0.000 2.623 263 G HA2 0.451 4.411 3.960 0.000 0.000 0.290 263 G HA3 0.451 4.411 3.960 0.000 0.000 0.290 263 G C 0.209 175.087 174.900 -0.036 0.000 1.437 263 G CA 0.220 45.316 45.100 -0.007 0.000 0.798 263 G HN 0.606 nan 8.290 nan 0.000 0.488 264 G N -1.376 107.421 108.800 -0.005 0.000 3.192 264 G HA2 0.468 4.428 3.960 0.000 0.000 0.239 264 G HA3 0.468 4.428 3.960 0.000 0.000 0.239 264 G C -0.249 174.649 174.900 -0.004 0.000 1.084 264 G CA 0.344 45.444 45.100 -0.001 0.000 0.784 264 G HN 0.935 nan 8.290 nan 0.000 0.540 265 V N 0.760 120.657 119.914 -0.027 0.000 3.012 265 V HA 0.499 4.619 4.120 0.000 0.000 0.307 265 V C -1.120 174.899 176.094 -0.126 0.000 1.166 265 V CA -0.800 61.471 62.300 -0.049 0.000 0.974 265 V CB 2.420 34.222 31.823 -0.035 0.000 1.040 265 V HN 0.081 nan 8.190 nan 0.000 0.428 266 I N 2.622 123.080 120.570 -0.188 0.000 2.436 266 I HA 0.386 4.556 4.170 0.000 0.000 0.289 266 I C 0.082 175.869 176.117 -0.550 0.000 1.010 266 I CA -0.365 60.764 61.300 -0.284 0.000 1.098 266 I CB 1.779 39.638 38.000 -0.236 0.000 1.266 266 I HN 0.745 nan 8.210 nan 0.000 0.434 267 N N 6.384 124.662 118.700 -0.704 0.000 2.399 267 N HA 0.158 4.898 4.740 0.000 0.000 0.259 267 N C -0.941 174.195 175.510 -0.624 0.000 1.160 267 N CA -0.603 51.733 53.050 -1.189 0.000 0.946 267 N CB 0.575 38.493 38.487 -0.948 0.000 1.156 267 N HN 0.349 nan 8.380 nan 0.000 0.489 268 L N 4.280 125.194 121.223 -0.515 0.000 2.261 268 L HA 0.336 4.676 4.340 0.000 0.000 0.289 268 L C -0.712 176.093 176.870 -0.109 0.000 1.059 268 L CA -0.176 54.536 54.840 -0.213 0.000 0.816 268 L CB 0.428 42.411 42.059 -0.127 0.000 1.191 268 L HN 0.403 nan 8.230 nan 0.000 0.431 269 K N 4.239 124.585 120.400 -0.091 0.000 2.293 269 K HA 0.223 4.543 4.320 0.000 0.000 0.267 269 K C 0.745 177.322 176.600 -0.038 0.000 1.010 269 K CA -0.408 55.845 56.287 -0.057 0.000 0.875 269 K CB 2.240 34.703 32.500 -0.062 0.000 1.106 269 K HN 0.536 nan 8.250 nan 0.000 0.450 270 V N 3.301 123.186 119.914 -0.049 0.000 2.332 270 V HA -0.274 3.846 4.120 0.000 0.000 0.248 270 V C 1.799 177.820 176.094 -0.120 0.000 1.055 270 V CA 2.720 64.960 62.300 -0.101 0.000 1.038 270 V CB -0.148 31.557 31.823 -0.197 0.000 0.651 270 V HN 0.933 nan 8.190 nan 0.000 0.450 271 A N -0.172 122.584 122.820 -0.107 0.000 1.930 271 A HA -0.131 4.189 4.320 0.000 0.000 0.215 271 A C 2.397 179.966 177.584 -0.024 0.000 1.176 271 A CA 1.462 53.449 52.037 -0.083 0.000 0.632 271 A CB -0.670 18.281 19.000 -0.082 0.000 0.819 271 A HN 0.569 nan 8.150 nan 0.000 0.445 272 R N 0.270 120.772 120.500 0.003 0.000 2.105 272 R HA -0.134 4.206 4.340 0.000 0.000 0.239 272 R C 1.678 177.999 176.300 0.035 0.000 1.135 272 R CA 2.034 58.167 56.100 0.055 0.000 0.967 272 R CB -0.306 30.054 30.300 0.099 0.000 0.861 272 R HN 0.538 nan 8.270 nan 0.000 0.442 273 V N -3.509 116.410 119.914 0.009 0.000 3.649 273 V HA 0.396 4.516 4.120 0.000 0.000 0.275 273 V C 0.859 176.957 176.094 0.008 0.000 1.281 273 V CA 0.661 62.966 62.300 0.009 0.000 1.143 273 V CB 0.392 32.216 31.823 0.001 0.000 0.892 273 V HN 0.432 nan 8.190 nan 0.000 0.441 274 G N -1.474 107.325 108.800 -0.003 0.000 2.148 274 G HA2 0.320 4.280 3.960 0.000 0.000 0.203 274 G HA3 0.320 4.280 3.960 0.000 0.000 0.203 274 G C 0.974 175.866 174.900 -0.015 0.000 0.993 274 G CA -0.016 45.083 45.100 -0.002 0.000 0.661 274 G HN 2.284 nan 8.290 nan 0.000 0.518 275 G N -1.719 107.048 108.800 -0.056 0.000 2.362 275 G HA2 0.185 4.145 3.960 0.000 0.000 0.517 275 G HA3 0.185 4.145 3.960 0.000 0.000 0.517 275 G C 0.249 175.085 174.900 -0.106 0.000 1.256 275 G CA 0.440 45.476 45.100 -0.106 0.000 1.027 275 G HN 0.570 nan 8.290 nan 0.000 0.491 276 H N -0.082 118.982 119.070 -0.010 0.000 2.357 276 H HA 0.055 4.611 4.556 0.000 0.000 0.301 276 H C 3.082 178.331 175.328 -0.133 0.000 1.082 276 H CA 2.403 58.333 56.048 -0.196 0.000 1.342 276 H CB -0.479 28.895 29.762 -0.646 0.000 1.389 276 H HN 0.732 nan 8.280 nan 0.000 0.511 277 A N 1.046 123.984 122.820 0.196 0.000 1.877 277 A HA -0.190 4.130 4.320 0.000 0.000 0.216 277 A C 2.374 180.034 177.584 0.126 0.000 1.186 277 A CA 1.875 54.042 52.037 0.216 0.000 0.620 277 A CB -0.318 18.906 19.000 0.374 0.000 0.822 277 A HN 0.345 nan 8.150 nan 0.000 0.443 278 E N 0.155 120.418 120.200 0.104 0.000 2.150 278 E HA -0.087 4.263 4.350 0.000 0.000 0.193 278 E C 2.141 178.775 176.600 0.057 0.000 0.985 278 E CA 1.411 57.852 56.400 0.068 0.000 0.814 278 E CB -0.228 29.501 29.700 0.048 0.000 0.752 278 E HN 0.496 nan 8.360 nan 0.000 0.466 279 S N -0.020 115.710 115.700 0.050 0.000 2.368 279 S HA -0.146 4.324 4.470 0.000 0.000 0.225 279 S C 1.868 176.528 174.600 0.100 0.000 1.030 279 S CA 1.137 59.377 58.200 0.066 0.000 0.999 279 S CB -0.282 62.960 63.200 0.070 0.000 0.844 279 S HN 0.280 nan 8.310 nan 0.000 0.459 280 R N 1.167 121.710 120.500 0.072 0.000 2.081 280 R HA -0.056 4.284 4.340 0.000 0.000 0.235 280 R C 2.364 178.741 176.300 0.128 0.000 1.131 280 R CA 1.258 57.395 56.100 0.061 0.000 0.960 280 R CB -0.110 30.193 30.300 0.004 0.000 0.856 280 R HN 0.318 nan 8.270 nan 0.000 0.436 281 R N -0.298 120.263 120.500 0.101 0.000 2.081 281 R HA -0.088 4.252 4.340 0.000 0.000 0.235 281 R C 2.337 178.689 176.300 0.087 0.000 1.131 281 R CA 1.567 57.724 56.100 0.095 0.000 0.960 281 R CB -0.404 29.941 30.300 0.076 0.000 0.856 281 R HN 0.085 nan 8.270 nan 0.000 0.436 282 V N 0.505 120.461 119.914 0.070 0.000 2.287 282 V HA -0.303 3.817 4.120 0.000 0.000 0.248 282 V C 2.269 178.380 176.094 0.028 0.000 1.053 282 V CA 2.317 64.637 62.300 0.033 0.000 1.027 282 V CB -0.701 31.123 31.823 0.001 0.000 0.646 282 V HN 0.450 nan 8.190 nan 0.000 0.447 283 H N 0.398 119.432 119.070 -0.060 0.000 2.319 283 H HA -0.206 4.350 4.556 0.000 0.000 0.297 283 H C 1.990 177.290 175.328 -0.047 0.000 1.097 283 H CA 2.301 58.283 56.048 -0.111 0.000 1.285 283 H CB -0.078 29.641 29.762 -0.072 0.000 1.368 283 H HN 0.412 nan 8.280 nan 0.000 0.495 284 D N -0.223 120.248 120.400 0.117 0.000 2.149 284 D HA -0.100 4.540 4.640 0.000 0.000 0.201 284 D C 2.469 178.784 176.300 0.025 0.000 0.972 284 D CA 1.063 55.102 54.000 0.065 0.000 0.835 284 D CB -0.256 40.628 40.800 0.141 0.000 0.966 284 D HN 0.310 nan 8.370 nan 0.000 0.476 285 V N 1.577 121.526 119.914 0.058 0.000 2.295 285 V HA -0.245 3.875 4.120 0.000 0.000 0.246 285 V C 2.556 178.755 176.094 0.175 0.000 1.049 285 V CA 1.853 64.227 62.300 0.123 0.000 1.024 285 V CB -0.820 31.079 31.823 0.127 0.000 0.648 285 V HN 0.176 nan 8.190 nan 0.000 0.447 286 A N -0.336 122.507 122.820 0.039 0.000 1.883 286 A HA -0.337 3.983 4.320 0.000 0.000 0.217 286 A C 2.193 179.784 177.584 0.011 0.000 1.186 286 A CA 2.372 54.410 52.037 0.001 0.000 0.624 286 A CB -0.660 18.264 19.000 -0.127 0.000 0.822 286 A HN 0.555 nan 8.150 nan 0.000 0.444 287 Q N 0.849 120.587 119.800 -0.103 0.000 2.135 287 Q HA -0.166 4.174 4.340 0.000 0.000 0.204 287 Q C 2.130 178.116 176.000 -0.023 0.000 0.981 287 Q CA 2.606 58.346 55.803 -0.105 0.000 0.856 287 Q CB -0.555 28.064 28.738 -0.198 0.000 0.902 287 Q HN 0.751 nan 8.270 nan 0.000 0.425 288 S N -1.408 114.290 115.700 -0.003 0.000 2.447 288 S HA -0.079 4.391 4.470 0.000 0.000 0.233 288 S C 1.370 175.895 174.600 -0.126 0.000 1.006 288 S CA 0.733 58.895 58.200 -0.064 0.000 0.957 288 S CB -0.465 62.675 63.200 -0.100 0.000 0.773 288 S HN 0.421 nan 8.310 nan 0.000 0.507 289 F N 1.802 121.725 119.950 -0.045 0.000 2.765 289 F HA 0.398 4.925 4.527 0.000 0.000 0.302 289 F C 1.839 177.619 175.800 -0.034 0.000 1.111 289 F CA 0.161 58.139 58.000 -0.035 0.000 1.359 289 F CB 0.101 39.078 39.000 -0.038 0.000 1.097 289 F HN 0.387 nan 8.300 nan 0.000 0.577 290 G N 1.043 109.905 108.800 0.104 0.000 2.176 290 G HA2 -0.114 3.846 3.960 0.000 0.000 0.252 290 G HA3 -0.114 3.846 3.960 0.000 0.000 0.252 290 G C 0.021 174.951 174.900 0.050 0.000 1.024 290 G CA 0.060 45.193 45.100 0.056 0.000 0.755 290 G HN 0.640 nan 8.290 nan 0.000 0.507 291 A N 0.531 123.377 122.820 0.044 0.000 2.318 291 A HA 0.906 5.226 4.320 0.000 0.000 0.324 291 A C -1.753 175.805 177.584 -0.043 0.000 1.170 291 A CA -1.491 50.549 52.037 0.004 0.000 0.810 291 A CB 2.002 20.990 19.000 -0.020 0.000 1.198 291 A HN 0.192 nan 8.150 nan 0.000 0.484 292 P HA 0.423 nan 4.420 nan 0.000 0.279 292 P C -0.255 176.991 177.300 -0.090 0.000 1.252 292 P CA -0.150 62.923 63.100 -0.044 0.000 0.811 292 P CB 1.382 33.108 31.700 0.043 0.000 1.035 293 V N -1.250 118.551 119.914 -0.187 0.000 3.019 293 V HA 0.831 4.951 4.120 0.000 0.000 0.317 293 V C -0.706 175.344 176.094 -0.072 0.000 1.094 293 V CA -0.849 61.280 62.300 -0.284 0.000 1.000 293 V CB 2.137 33.617 31.823 -0.571 0.000 1.060 293 V HN 0.801 nan 8.190 nan 0.000 0.443 294 W N 0.175 121.412 121.300 -0.104 0.000 3.083 294 W HA 0.656 5.316 4.660 0.000 0.000 0.333 294 W C -1.298 175.396 176.519 0.291 0.000 1.217 294 W CA -1.386 56.059 57.345 0.166 0.000 1.170 294 W CB 1.173 30.715 29.460 0.138 0.000 1.437 294 W HN 0.860 nan 8.180 nan 0.000 0.557 295 C N 3.138 122.834 119.300 0.660 0.000 2.349 295 C HA 0.641 5.101 4.460 0.000 0.000 0.348 295 C C 1.184 176.334 174.990 0.266 0.000 1.223 295 C CA 0.493 59.745 59.018 0.390 0.000 1.746 295 C CB -1.006 26.878 27.740 0.240 0.000 2.360 295 C HN 0.789 nan 8.230 nan 0.000 0.533 296 G N 4.206 112.978 108.800 -0.046 0.000 2.606 296 G HA2 0.550 4.510 3.960 0.000 0.000 0.252 296 G HA3 0.550 4.510 3.960 0.000 0.000 0.252 296 G C 0.116 175.053 174.900 0.061 0.000 1.206 296 G CA 0.164 45.251 45.100 -0.021 0.000 0.861 296 G HN 1.184 nan 8.290 nan 0.000 0.561 297 G N -0.880 107.965 108.800 0.075 0.000 2.498 297 G HA2 0.511 4.471 3.960 0.000 0.000 0.312 297 G HA3 0.511 4.471 3.960 0.000 0.000 0.312 297 G C -0.154 174.713 174.900 -0.056 0.000 1.230 297 G CA -0.648 44.467 45.100 0.025 0.000 0.968 297 G HN 0.394 nan 8.290 nan 0.000 0.481 298 M N 2.006 121.555 119.600 -0.085 0.000 3.181 298 M HA 0.259 4.739 4.480 0.000 0.000 0.422 298 M C 0.366 176.622 176.300 -0.073 0.000 1.481 298 M CA -0.158 55.066 55.300 -0.127 0.000 0.783 298 M CB -0.261 32.238 32.600 -0.167 0.000 1.437 298 M HN 0.580 nan 8.290 nan 0.000 0.505 299 L N 0.573 121.743 121.223 -0.089 0.000 3.597 299 L HA -0.268 4.072 4.340 0.000 0.000 0.440 299 L C -0.259 176.615 176.870 0.005 0.000 1.277 299 L CA 0.524 55.285 54.840 -0.132 0.000 0.852 299 L CB -1.861 40.188 42.059 -0.017 0.000 1.708 299 L HN 0.363 nan 8.230 nan 0.000 0.885 300 E N 0.199 120.383 120.200 -0.028 0.000 2.373 300 E HA 0.425 4.775 4.350 0.000 0.000 0.263 300 E C 0.753 177.501 176.600 0.246 0.000 1.073 300 E CA 0.326 56.781 56.400 0.092 0.000 0.894 300 E CB 0.804 30.518 29.700 0.024 0.000 1.008 300 E HN 0.369 nan 8.360 nan 0.000 0.420 301 S N 0.659 116.427 115.700 0.113 0.000 2.617 301 S HA 0.110 4.580 4.470 0.000 0.000 0.255 301 S C 1.471 176.082 174.600 0.018 0.000 1.318 301 S CA -0.226 57.921 58.200 -0.088 0.000 0.978 301 S CB 0.785 63.826 63.200 -0.265 0.000 0.961 301 S HN 0.638 nan 8.310 nan 0.000 0.582 302 G N 0.173 108.963 108.800 -0.016 0.000 2.479 302 G HA2 -0.100 3.860 3.960 0.000 0.000 0.220 302 G HA3 -0.100 3.860 3.960 0.000 0.000 0.220 302 G C 1.237 176.168 174.900 0.052 0.000 1.115 302 G CA 0.732 45.855 45.100 0.039 0.000 0.757 302 G HN 0.616 nan 8.290 nan 0.000 0.560 303 I N 1.701 122.299 120.570 0.046 0.000 2.113 303 I HA -0.081 4.089 4.170 0.000 0.000 0.238 303 I C 3.053 179.292 176.117 0.204 0.000 1.070 303 I CA 1.571 62.936 61.300 0.108 0.000 1.332 303 I CB -1.554 36.500 38.000 0.089 0.000 1.044 303 I HN 0.230 nan 8.210 nan 0.000 0.402 304 G N 0.272 109.150 108.800 0.129 0.000 2.422 304 G HA2 -0.271 3.689 3.960 0.000 0.000 0.218 304 G HA3 -0.271 3.689 3.960 0.000 0.000 0.218 304 G C 1.930 176.906 174.900 0.127 0.000 1.146 304 G CA 0.667 45.837 45.100 0.116 0.000 0.769 304 G HN 0.292 nan 8.290 nan 0.000 0.547 305 R N 0.383 120.938 120.500 0.092 0.000 2.081 305 R HA 0.021 4.361 4.340 0.000 0.000 0.235 305 R C 2.888 179.245 176.300 0.095 0.000 1.131 305 R CA 1.413 57.558 56.100 0.076 0.000 0.960 305 R CB -0.317 30.021 30.300 0.065 0.000 0.856 305 R HN 0.301 nan 8.270 nan 0.000 0.436 306 A N 0.291 123.173 122.820 0.104 0.000 1.902 306 A HA -0.182 4.138 4.320 0.000 0.000 0.217 306 A C 1.880 179.555 177.584 0.150 0.000 1.181 306 A CA 1.384 53.483 52.037 0.103 0.000 0.623 306 A CB -0.824 18.209 19.000 0.055 0.000 0.818 306 A HN 0.434 nan 8.150 nan 0.000 0.443 307 H N 0.143 119.287 119.070 0.124 0.000 2.319 307 H HA -0.123 4.433 4.556 0.000 0.000 0.299 307 H C 1.918 177.345 175.328 0.165 0.000 1.092 307 H CA 1.835 57.988 56.048 0.174 0.000 1.302 307 H CB -0.131 29.731 29.762 0.167 0.000 1.373 307 H HN 0.447 nan 8.280 nan 0.000 0.497 308 N N 0.772 119.593 118.700 0.201 0.000 2.120 308 N HA -0.106 4.635 4.740 0.000 0.000 0.188 308 N C 2.217 177.719 175.510 -0.013 0.000 1.024 308 N CA 0.721 53.816 53.050 0.075 0.000 0.852 308 N CB -0.448 38.067 38.487 0.047 0.000 1.003 308 N HN 0.356 nan 8.380 nan 0.000 0.424 309 I N 0.182 120.752 120.570 -0.001 0.000 2.179 309 I HA -0.265 3.905 4.170 0.000 0.000 0.242 309 I C 1.933 177.938 176.117 -0.188 0.000 1.088 309 I CA 1.207 62.448 61.300 -0.099 0.000 1.357 309 I CB -0.286 37.657 38.000 -0.094 0.000 1.051 309 I HN 0.165 nan 8.210 nan 0.000 0.409 310 H N -0.073 118.922 119.070 -0.124 0.000 2.321 310 H HA -0.203 4.353 4.556 0.000 0.000 0.300 310 H C 1.925 177.115 175.328 -0.230 0.000 1.087 310 H CA 1.788 57.732 56.048 -0.174 0.000 1.319 310 H CB -0.161 29.480 29.762 -0.202 0.000 1.379 310 H HN 0.156 nan 8.280 nan 0.000 0.501 311 L N 0.050 121.222 121.223 -0.085 0.000 2.083 311 L HA -0.132 4.208 4.340 0.000 0.000 0.209 311 L C 1.900 178.428 176.870 -0.570 0.000 1.083 311 L CA 1.558 56.283 54.840 -0.192 0.000 0.752 311 L CB -0.490 41.566 42.059 -0.006 0.000 0.899 311 L HN 0.054 nan 8.230 nan 0.000 0.433 312 S N -1.177 114.098 115.700 -0.707 0.000 2.547 312 S HA -0.114 4.356 4.470 0.000 0.000 0.235 312 S C 1.709 175.991 174.600 -0.531 0.000 0.980 312 S CA 1.082 58.634 58.200 -1.081 0.000 0.941 312 S CB -0.743 62.122 63.200 -0.559 0.000 0.763 312 S HN 0.792 nan 8.310 nan 0.000 0.532 313 T N -0.243 114.110 114.554 -0.335 0.000 3.113 313 T HA 0.144 4.494 4.350 0.000 0.000 0.263 313 T C 0.508 175.125 174.700 -0.138 0.000 1.143 313 T CA 0.048 62.031 62.100 -0.195 0.000 1.090 313 T CB -0.410 68.350 68.868 -0.180 0.000 0.922 313 T HN -0.004 nan 8.240 nan 0.000 0.521 314 L N 2.903 124.069 121.223 -0.095 0.000 2.452 314 L HA 0.277 4.617 4.340 0.000 0.000 0.267 314 L C 1.906 178.922 176.870 0.244 0.000 1.188 314 L CA 0.327 55.159 54.840 -0.014 0.000 0.821 314 L CB 0.750 42.653 42.059 -0.260 0.000 1.102 314 L HN 0.330 nan 8.230 nan 0.000 0.470 315 S N 0.325 116.162 115.700 0.229 0.000 2.453 315 S HA -0.113 4.357 4.470 0.000 0.000 0.231 315 S C 1.333 176.088 174.600 0.257 0.000 1.005 315 S CA 0.970 59.287 58.200 0.195 0.000 0.949 315 S CB -0.388 62.884 63.200 0.119 0.000 0.774 315 S HN 0.715 nan 8.310 nan 0.000 0.510 316 N N 0.311 119.255 118.700 0.407 0.000 2.322 316 N HA 0.214 4.954 4.740 0.000 0.000 0.194 316 N C -0.844 174.657 175.510 -0.016 0.000 1.126 316 N CA -0.345 52.691 53.050 -0.025 0.000 0.845 316 N CB -0.485 37.627 38.487 -0.625 0.000 0.976 316 N HN 0.372 nan 8.380 nan 0.000 0.475 317 F N 0.768 120.844 119.950 0.210 0.000 2.679 317 F HA 0.226 4.753 4.527 0.000 0.000 0.351 317 F C 1.386 177.268 175.800 0.138 0.000 1.279 317 F CA -0.095 58.009 58.000 0.174 0.000 1.227 317 F CB 0.282 39.372 39.000 0.149 0.000 1.623 317 F HN -0.056 nan 8.300 nan 0.000 0.666 318 R N 1.217 121.838 120.500 0.201 0.000 2.362 318 R HA 0.309 4.649 4.340 0.000 0.000 0.227 318 R C -0.151 176.242 176.300 0.155 0.000 0.905 318 R CA 0.128 56.318 56.100 0.150 0.000 1.067 318 R CB 0.469 30.823 30.300 0.091 0.000 1.078 318 R HN 0.398 nan 8.270 nan 0.000 0.516 319 L N 0.733 122.083 121.223 0.212 0.000 2.341 319 L HA 0.497 4.837 4.340 0.000 0.000 0.267 319 L C -2.432 174.558 176.870 0.200 0.000 1.009 319 L CA -2.656 52.288 54.840 0.172 0.000 0.819 319 L CB 2.003 44.165 42.059 0.173 0.000 1.323 319 L HN -0.268 nan 8.230 nan 0.000 0.425 320 P HA 0.104 nan 4.420 nan 0.000 0.268 320 P C -0.339 177.056 177.300 0.159 0.000 1.205 320 P CA -0.151 63.012 63.100 0.106 0.000 0.771 320 P CB 0.600 32.322 31.700 0.036 0.000 0.858 321 G N 0.963 109.914 108.800 0.252 0.000 2.425 321 G HA2 0.137 4.097 3.960 0.000 0.000 0.302 321 G HA3 0.137 4.097 3.960 0.000 0.000 0.302 321 G C 0.138 175.198 174.900 0.266 0.000 1.159 321 G CA -0.393 44.933 45.100 0.377 0.000 0.865 321 G HN 0.317 nan 8.290 nan 0.000 0.515 322 D N 0.400 121.012 120.400 0.352 0.000 2.348 322 D HA 0.016 4.656 4.640 0.000 0.000 0.248 322 D C 1.099 177.509 176.300 0.184 0.000 1.142 322 D CA 0.578 54.718 54.000 0.233 0.000 0.904 322 D CB 0.036 41.022 40.800 0.310 0.000 0.901 322 D HN 0.203 nan 8.370 nan 0.000 0.523 323 T N 0.536 115.198 114.554 0.180 0.000 3.945 323 T HA 0.155 4.505 4.350 0.000 0.000 0.306 323 T C 0.839 175.654 174.700 0.192 0.000 1.475 323 T CA -0.437 61.755 62.100 0.153 0.000 1.177 323 T CB -0.113 68.825 68.868 0.116 0.000 1.272 323 T HN 0.052 nan 8.240 nan 0.000 0.930 324 S N 1.050 116.900 115.700 0.250 0.000 2.694 324 S HA 0.521 4.991 4.470 0.000 0.000 0.278 324 S C 0.448 175.258 174.600 0.351 0.000 1.152 324 S CA -0.968 57.422 58.200 0.315 0.000 1.010 324 S CB 0.574 63.880 63.200 0.178 0.000 1.104 324 S HN 0.324 nan 8.310 nan 0.000 0.547 325 S N 0.630 116.524 115.700 0.324 0.000 2.552 325 S HA 0.341 4.811 4.470 0.000 0.000 0.289 325 S C 1.525 176.333 174.600 0.346 0.000 1.304 325 S CA -0.144 58.213 58.200 0.261 0.000 1.063 325 S CB 0.556 63.871 63.200 0.192 0.000 0.848 325 S HN 0.928 nan 8.310 nan 0.000 0.499 326 A N 3.115 126.115 122.820 0.300 0.000 1.972 326 A HA -0.106 4.214 4.320 0.000 0.000 0.219 326 A C 2.280 180.081 177.584 0.361 0.000 1.169 326 A CA 1.741 54.011 52.037 0.388 0.000 0.635 326 A CB -0.947 18.252 19.000 0.333 0.000 0.810 326 A HN 0.918 nan 8.150 nan 0.000 0.446 327 S N -0.564 115.269 115.700 0.223 0.000 2.507 327 S HA -0.094 4.376 4.470 0.000 0.000 0.235 327 S C 1.807 176.442 174.600 0.060 0.000 0.988 327 S CA 0.856 59.142 58.200 0.142 0.000 0.944 327 S CB -0.432 62.823 63.200 0.091 0.000 0.762 327 S HN 0.603 nan 8.310 nan 0.000 0.526 328 R N -0.575 119.937 120.500 0.020 0.000 2.148 328 R HA -0.007 4.333 4.340 0.000 0.000 0.227 328 R C 1.268 177.346 176.300 -0.370 0.000 1.103 328 R CA 1.682 57.652 56.100 -0.216 0.000 0.983 328 R CB -0.219 29.821 30.300 -0.434 0.000 0.874 328 R HN 0.616 nan 8.270 nan 0.000 0.451 329 Y N -2.632 117.496 120.300 -0.285 0.000 2.539 329 Y HA 0.118 4.668 4.550 0.000 0.000 0.284 329 Y C 0.298 175.800 175.900 -0.664 0.000 1.134 329 Y CA -0.253 57.453 58.100 -0.657 0.000 1.251 329 Y CB 0.366 38.137 38.460 -1.148 0.000 1.260 329 Y HN -0.057 nan 8.280 nan 0.000 0.528 330 W N 1.692 123.104 121.300 0.186 0.000 2.702 330 W HA 0.344 5.004 4.660 -0.000 0.000 0.331 330 W C 0.943 177.496 176.519 0.056 0.000 1.049 330 W CA -0.864 56.546 57.345 0.108 0.000 1.230 330 W CB 0.974 30.498 29.460 0.107 0.000 1.408 330 W HN -0.014 nan 8.180 nan 0.000 0.492 331 E N 1.061 121.420 120.200 0.264 0.000 2.208 331 E HA -0.061 4.289 4.350 0.000 0.000 0.193 331 E C 0.483 177.134 176.600 0.086 0.000 0.988 331 E CA 0.680 57.161 56.400 0.135 0.000 0.828 331 E CB 0.517 30.273 29.700 0.093 0.000 0.763 331 E HN 0.414 nan 8.360 nan 0.000 0.478 332 R N 0.557 121.120 120.500 0.105 0.000 2.515 332 R HA 0.146 4.486 4.340 0.000 0.000 0.278 332 R C -1.792 174.470 176.300 -0.063 0.000 1.107 332 R CA -0.608 55.424 56.100 -0.114 0.000 0.945 332 R CB 1.690 31.684 30.300 -0.509 0.000 1.219 332 R HN -0.078 nan 8.270 nan 0.000 0.434 333 D N 2.639 122.988 120.400 -0.085 0.000 2.387 333 D HA 0.180 4.820 4.640 0.000 0.000 0.251 333 D C 1.016 177.304 176.300 -0.020 0.000 1.141 333 D CA -0.382 53.547 54.000 -0.118 0.000 0.987 333 D CB 1.324 42.106 40.800 -0.029 0.000 1.116 333 D HN 0.558 nan 8.370 nan 0.000 0.491 334 L N 1.071 122.272 121.223 -0.036 0.000 2.554 334 L HA 0.132 4.472 4.340 0.000 0.000 0.226 334 L C 0.936 177.840 176.870 0.056 0.000 1.137 334 L CA 0.246 55.130 54.840 0.073 0.000 0.863 334 L CB -0.435 41.591 42.059 -0.055 0.000 0.985 334 L HN 0.342 nan 8.230 nan 0.000 0.451 335 I N -4.829 115.751 120.570 0.016 0.000 2.863 335 I HA 0.226 4.396 4.170 0.000 0.000 0.311 335 I C 0.745 176.868 176.117 0.010 0.000 1.026 335 I CA -0.777 60.533 61.300 0.017 0.000 1.077 335 I CB 1.285 39.292 38.000 0.012 0.000 1.262 335 I HN -0.105 nan 8.210 nan 0.000 0.461 336 Q N 0.789 120.596 119.800 0.011 0.000 2.187 336 Q HA 0.031 4.371 4.340 0.000 0.000 0.199 336 Q C -0.298 175.702 176.000 -0.000 0.000 0.957 336 Q CA 0.994 56.798 55.803 0.002 0.000 0.857 336 Q CB 0.050 28.792 28.738 0.007 0.000 0.929 336 Q HN 0.651 nan 8.270 nan 0.000 0.453 337 E N 1.737 121.941 120.200 0.007 0.000 2.301 337 E HA 0.161 4.511 4.350 0.000 0.000 0.275 337 E C -2.331 174.280 176.600 0.020 0.000 1.030 337 E CA -2.079 54.328 56.400 0.011 0.000 0.852 337 E CB 0.512 30.220 29.700 0.013 0.000 1.060 337 E HN 0.020 nan 8.360 nan 0.000 0.401 338 P HA 0.136 nan 4.420 nan 0.000 0.275 338 P C -0.824 176.502 177.300 0.044 0.000 1.228 338 P CA -0.144 62.977 63.100 0.036 0.000 0.786 338 P CB 0.679 32.395 31.700 0.027 0.000 0.927 339 L N 2.587 123.852 121.223 0.069 0.000 2.417 339 L HA 0.370 4.710 4.340 0.000 0.000 0.259 339 L C 0.146 177.071 176.870 0.092 0.000 1.023 339 L CA -0.240 54.644 54.840 0.073 0.000 0.901 339 L CB 1.056 43.166 42.059 0.085 0.000 1.227 339 L HN 0.216 nan 8.230 nan 0.000 0.454 340 E N 2.198 122.438 120.200 0.067 0.000 2.248 340 E HA 0.664 5.014 4.350 0.000 0.000 0.267 340 E C -0.742 175.885 176.600 0.046 0.000 0.877 340 E CA -0.572 55.870 56.400 0.070 0.000 0.759 340 E CB 3.045 32.774 29.700 0.049 0.000 1.182 340 E HN 0.466 nan 8.360 nan 0.000 0.418 341 A N 1.994 124.847 122.820 0.055 0.000 2.303 341 A HA 0.671 4.991 4.320 0.000 0.000 0.317 341 A C -0.450 177.094 177.584 -0.067 0.000 1.149 341 A CA -0.551 51.490 52.037 0.007 0.000 0.822 341 A CB 0.914 19.942 19.000 0.047 0.000 1.131 341 A HN 0.309 nan 8.150 nan 0.000 0.493 342 V N 1.657 121.516 119.914 -0.092 0.000 2.709 342 V HA 0.393 4.513 4.120 0.000 0.000 0.308 342 V C -0.005 176.005 176.094 -0.140 0.000 1.062 342 V CA 0.242 62.470 62.300 -0.121 0.000 0.901 342 V CB 1.540 33.320 31.823 -0.071 0.000 1.003 342 V HN 1.159 nan 8.190 nan 0.000 0.425 343 D N 3.609 123.901 120.400 -0.181 0.000 2.751 343 D HA -0.177 4.463 4.640 0.000 0.000 0.233 343 D C 1.165 177.370 176.300 -0.159 0.000 1.149 343 D CA 2.135 56.041 54.000 -0.157 0.000 0.682 343 D CB -1.018 39.728 40.800 -0.089 0.000 1.068 343 D HN 1.734 nan 8.370 nan 0.000 0.429 344 G N -1.293 107.353 108.800 -0.257 0.000 2.160 344 G HA2 -0.267 3.693 3.960 0.000 0.000 0.251 344 G HA3 -0.267 3.693 3.960 0.000 0.000 0.251 344 G C 0.168 175.042 174.900 -0.043 0.000 1.008 344 G CA 0.405 45.411 45.100 -0.156 0.000 0.724 344 G HN 0.603 nan 8.290 nan 0.000 0.514 345 L N -0.537 120.653 121.223 -0.054 0.000 2.356 345 L HA 0.720 5.060 4.340 0.000 0.000 0.277 345 L C 0.039 176.902 176.870 -0.012 0.000 0.996 345 L CA -1.104 53.725 54.840 -0.018 0.000 0.822 345 L CB 1.914 43.959 42.059 -0.023 0.000 1.256 345 L HN 0.156 nan 8.230 nan 0.000 0.413 346 M N 7.192 126.796 119.600 0.007 0.000 2.088 346 M HA 0.494 4.974 4.480 0.000 0.000 0.346 346 M C -2.490 173.798 176.300 -0.021 0.000 1.111 346 M CA -2.190 53.115 55.300 0.008 0.000 1.017 346 M CB 1.159 33.779 32.600 0.032 0.000 1.568 346 M HN 0.107 nan 8.290 nan 0.000 0.445 347 P HA 0.092 nan 4.420 nan 0.000 0.275 347 P C -0.884 176.370 177.300 -0.077 0.000 1.228 347 P CA -0.318 62.755 63.100 -0.045 0.000 0.786 347 P CB 0.524 32.206 31.700 -0.031 0.000 0.927 348 V N 5.028 124.871 119.914 -0.119 0.000 2.470 348 V HA 0.106 4.226 4.120 0.000 0.000 0.276 348 V C -1.611 174.399 176.094 -0.141 0.000 1.040 348 V CA -1.180 60.989 62.300 -0.217 0.000 1.008 348 V CB -0.006 31.643 31.823 -0.290 0.000 0.990 348 V HN 0.590 nan 8.190 nan 0.000 0.477 349 P HA 0.129 nan 4.420 nan 0.000 0.267 349 P C -0.373 176.944 177.300 0.029 0.000 1.209 349 P CA -0.077 63.018 63.100 -0.009 0.000 0.763 349 P CB 0.448 32.170 31.700 0.036 0.000 0.816 350 Q N 1.348 121.156 119.800 0.013 0.000 2.394 350 Q HA 0.507 4.847 4.340 0.000 0.000 0.248 350 Q C 0.782 176.796 176.000 0.023 0.000 0.992 350 Q CA 0.374 56.188 55.803 0.018 0.000 0.888 350 Q CB 0.559 29.298 28.738 0.002 0.000 1.257 350 Q HN 0.813 nan 8.270 nan 0.000 0.462 351 G N 1.514 110.324 108.800 0.017 0.000 2.381 351 G HA2 -0.070 3.890 3.960 0.000 0.000 0.672 351 G HA3 -0.070 3.890 3.960 0.000 0.000 0.672 351 G C -3.029 171.856 174.900 -0.025 0.000 1.324 351 G CA -1.186 43.910 45.100 -0.007 0.000 0.975 351 G HN 0.475 nan 8.290 nan 0.000 0.593 352 P HA 0.478 nan 4.420 nan 0.000 0.274 352 P C 1.278 178.494 177.300 -0.140 0.000 1.231 352 P CA 1.581 64.625 63.100 -0.092 0.000 0.790 352 P CB 0.941 32.587 31.700 -0.091 0.000 0.951 353 G N 2.076 110.761 108.800 -0.191 0.000 2.611 353 G HA2 -0.357 3.603 3.960 0.000 0.000 0.301 353 G HA3 -0.357 3.603 3.960 0.000 0.000 0.301 353 G C 1.092 175.700 174.900 -0.488 0.000 1.233 353 G CA 1.206 46.146 45.100 -0.267 0.000 0.993 353 G HN 0.712 nan 8.290 nan 0.000 0.553 354 T N -0.833 113.443 114.554 -0.463 0.000 3.007 354 T HA 0.341 4.691 4.350 0.000 0.000 0.270 354 T C 2.685 177.284 174.700 -0.168 0.000 1.107 354 T CA 1.793 63.573 62.100 -0.534 0.000 1.118 354 T CB -0.352 68.261 68.868 -0.425 0.000 0.889 354 T HN 2.782 nan 8.240 nan 0.000 0.506 355 G N 0.771 109.506 108.800 -0.108 0.000 2.153 355 G HA2 -0.188 3.772 3.960 0.000 0.000 0.252 355 G HA3 -0.188 3.772 3.960 0.000 0.000 0.252 355 G C 0.171 175.074 174.900 0.005 0.000 0.994 355 G CA 0.510 45.612 45.100 0.002 0.000 0.698 355 G HN 1.612 nan 8.290 nan 0.000 0.521 356 V N -3.822 116.079 119.914 -0.021 0.000 3.074 356 V HA 1.005 5.125 4.120 0.000 0.000 0.314 356 V C -0.145 175.940 176.094 -0.014 0.000 1.117 356 V CA -0.259 62.037 62.300 -0.007 0.000 1.014 356 V CB 2.248 34.074 31.823 0.005 0.000 1.057 356 V HN 0.598 nan 8.190 nan 0.000 0.438 357 T N 3.130 117.683 114.554 -0.002 0.000 2.928 357 T HA 0.564 4.914 4.350 0.000 0.000 0.296 357 T C -0.382 174.325 174.700 0.011 0.000 1.000 357 T CA -0.444 61.657 62.100 0.001 0.000 0.989 357 T CB 1.271 70.141 68.868 0.003 0.000 1.005 357 T HN 0.775 nan 8.240 nan 0.000 0.442 358 L N 2.784 124.016 121.223 0.014 0.000 2.525 358 L HA 0.108 4.448 4.340 0.000 0.000 0.278 358 L C 0.729 177.621 176.870 0.037 0.000 1.218 358 L CA -0.075 54.779 54.840 0.024 0.000 0.878 358 L CB 0.270 42.341 42.059 0.021 0.000 1.127 358 L HN 0.650 nan 8.230 nan 0.000 0.492 359 D N 3.340 123.777 120.400 0.060 0.000 2.468 359 D HA 0.061 4.701 4.640 0.000 0.000 0.218 359 D C 1.037 177.394 176.300 0.095 0.000 1.155 359 D CA -0.316 53.735 54.000 0.085 0.000 0.924 359 D CB 0.644 41.514 40.800 0.117 0.000 1.029 359 D HN 0.277 nan 8.370 nan 0.000 0.515 360 R N 2.596 123.132 120.500 0.060 0.000 2.115 360 R HA -0.081 4.259 4.340 0.000 0.000 0.230 360 R C 1.397 177.719 176.300 0.037 0.000 1.111 360 R CA 0.896 57.020 56.100 0.039 0.000 0.976 360 R CB -0.102 30.217 30.300 0.031 0.000 0.870 360 R HN 0.468 nan 8.270 nan 0.000 0.445 361 E N -0.100 120.137 120.200 0.062 0.000 2.047 361 E HA -0.127 4.223 4.350 0.000 0.000 0.191 361 E C 1.652 178.306 176.600 0.090 0.000 0.987 361 E CA 1.088 57.527 56.400 0.064 0.000 0.799 361 E CB -0.408 29.336 29.700 0.073 0.000 0.752 361 E HN 0.281 nan 8.360 nan 0.000 0.449 362 F N 0.633 120.578 119.950 -0.009 0.000 2.146 362 F HA -0.168 4.359 4.527 0.000 0.000 0.298 362 F C 2.014 177.802 175.800 -0.020 0.000 1.096 362 F CA 0.708 58.701 58.000 -0.013 0.000 1.275 362 F CB -0.045 38.944 39.000 -0.017 0.000 1.008 362 F HN 0.074 nan 8.300 nan 0.000 0.480 363 L N 1.247 122.375 121.223 -0.159 0.000 2.042 363 L HA -0.137 4.203 4.340 0.000 0.000 0.210 363 L C 2.408 179.136 176.870 -0.237 0.000 1.076 363 L CA 2.098 56.790 54.840 -0.246 0.000 0.749 363 L CB -1.373 40.635 42.059 -0.085 0.000 0.893 363 L HN 0.172 nan 8.230 nan 0.000 0.432 364 A N -1.086 121.649 122.820 -0.142 0.000 1.940 364 A HA -0.238 4.082 4.320 0.000 0.000 0.219 364 A C 2.351 179.853 177.584 -0.138 0.000 1.176 364 A CA 2.291 54.265 52.037 -0.106 0.000 0.631 364 A CB -1.401 17.568 19.000 -0.053 0.000 0.814 364 A HN 0.664 nan 8.150 nan 0.000 0.446 365 T N -2.265 112.173 114.554 -0.193 0.000 3.035 365 T HA 0.009 4.359 4.350 0.000 0.000 0.268 365 T C 1.119 175.691 174.700 -0.213 0.000 1.109 365 T CA 1.454 63.452 62.100 -0.171 0.000 1.119 365 T CB -0.487 68.302 68.868 -0.131 0.000 0.900 365 T HN 0.868 nan 8.240 nan 0.000 0.503 366 V N -2.066 117.655 119.914 -0.322 0.000 3.276 366 V HA 0.400 4.520 4.120 0.000 0.000 0.319 366 V C 0.357 176.349 176.094 -0.170 0.000 1.427 366 V CA -0.699 61.450 62.300 -0.252 0.000 1.102 366 V CB -0.595 31.011 31.823 -0.363 0.000 1.020 366 V HN 0.196 nan 8.190 nan 0.000 0.456 367 T N 3.061 117.527 114.554 -0.146 0.000 2.851 367 T HA 0.278 4.628 4.350 0.000 0.000 0.298 367 T C 1.062 175.719 174.700 -0.072 0.000 0.977 367 T CA 0.709 62.750 62.100 -0.098 0.000 1.126 367 T CB 1.245 70.064 68.868 -0.083 0.000 0.916 367 T HN 0.847 nan 8.240 nan 0.000 0.529 368 E N 1.681 121.846 120.200 -0.058 0.000 2.490 368 E HA 0.500 4.850 4.350 0.000 0.000 0.209 368 E C 0.265 176.843 176.600 -0.036 0.000 0.971 368 E CA -0.493 55.879 56.400 -0.047 0.000 0.988 368 E CB 0.656 30.327 29.700 -0.048 0.000 1.029 368 E HN 0.498 nan 8.360 nan 0.000 0.496 369 A N 1.637 124.438 122.820 -0.032 0.000 2.547 369 A HA 0.497 4.817 4.320 0.000 0.000 0.297 369 A C -1.737 175.836 177.584 -0.018 0.000 1.056 369 A CA -0.910 51.114 52.037 -0.022 0.000 0.688 369 A CB 1.467 20.458 19.000 -0.015 0.000 1.282 369 A HN 0.209 nan 8.150 nan 0.000 0.400 370 Q N 1.207 120.998 119.800 -0.016 0.000 2.320 370 Q HA 0.666 5.006 4.340 0.000 0.000 0.272 370 Q C -1.335 174.653 176.000 -0.020 0.000 1.023 370 Q CA -0.815 54.981 55.803 -0.013 0.000 0.855 370 Q CB 2.201 30.928 28.738 -0.019 0.000 1.367 370 Q HN 0.862 nan 8.270 nan 0.000 0.406 371 E N 1.389 121.578 120.200 -0.017 0.000 2.390 371 E HA 0.533 4.883 4.350 0.000 0.000 0.277 371 E C -1.347 175.194 176.600 -0.099 0.000 0.939 371 E CA -0.950 55.405 56.400 -0.075 0.000 0.769 371 E CB 2.517 32.179 29.700 -0.064 0.000 1.251 371 E HN 0.601 nan 8.360 nan 0.000 0.450 372 E N 1.404 121.471 120.200 -0.222 0.000 2.238 372 E HA 0.406 4.756 4.350 0.000 0.000 0.267 372 E C -1.006 175.350 176.600 -0.406 0.000 0.887 372 E CA -0.952 55.344 56.400 -0.174 0.000 0.769 372 E CB 1.918 31.564 29.700 -0.090 0.000 1.187 372 E HN 0.416 nan 8.360 nan 0.000 0.416 373 H N 1.651 120.745 119.070 0.041 0.000 2.679 373 H HA 0.495 5.051 4.556 0.000 0.000 0.360 373 H C -0.214 175.143 175.328 0.048 0.000 1.105 373 H CA -0.553 55.518 56.048 0.039 0.000 1.196 373 H CB 1.970 31.758 29.762 0.043 0.000 1.636 373 H HN 0.344 nan 8.280 nan 0.000 0.531 374 R N 0.659 121.243 120.500 0.141 0.000 2.905 374 R HA 0.706 5.046 4.340 0.000 0.000 0.260 374 R C -0.260 176.098 176.300 0.096 0.000 1.086 374 R CA -1.043 55.117 56.100 0.100 0.000 0.978 374 R CB 1.846 32.178 30.300 0.052 0.000 1.215 374 R HN 0.592 nan 8.270 nan 0.000 0.480 375 A N 0.000 122.865 122.820 0.075 0.000 2.254 375 A HA 0.000 4.320 4.320 0.000 0.000 0.244 375 A CA 0.000 52.074 52.037 0.061 0.000 0.836 375 A CB 0.000 19.029 19.000 0.049 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486