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 3eqx_1_A DATA FIRST_RESID 2 DATA SEQUENCE EWQAEQAYNH LPPLPLDSKL AELAETLPIL KACIPARAAL AELKQAGELL DATA SEQUENCE PNQGLLINLL PLLEAQGSSE IENIVTTTDK LFQYAQEDSQ ADPXTKEALR DATA SEQUENCE YRTALYQCFT QLSNRPLCVT TALEICSTIK SVQXDVRKVP GTSLTNQATG DATA SEQUENCE EVIYTPPAGE SVIRDLLSNW EAFLHNQDDV DPLIKXAXAH YQFEAIHPFI DATA SEQUENCE DGNGRTGRVL NILYLIDQQL LSAPILYLSR YIVAHKQDYY RLLLNVTTQQ DATA SEQUENCE EWQPWIIFIL NAVEQTAKWT THKIAAAREL IAHTTEYVRQ QLPKIYSHEL DATA SEQUENCE VQVIFEQPYC RIQNLVESGL AKRQTASVYL KQLCDIGVLE EVXXGKEKLF DATA SEQUENCE VHPKFVTLXT KDSNQFSRY 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.833 176.600 0.389 0.000 1.382 2 E CA 0.000 56.550 56.400 0.250 0.000 0.976 2 E CB 0.000 29.767 29.700 0.111 0.000 0.812 3 W N 3.537 124.902 121.300 0.108 0.000 2.238 3 W HA 0.261 4.920 4.660 -0.001 0.000 0.321 3 W C -0.626 175.812 176.519 -0.136 0.000 1.293 3 W CA 0.284 57.512 57.345 -0.195 0.000 1.204 3 W CB 0.717 29.849 29.460 -0.546 0.000 1.167 3 W HN 0.387 nan 8.180 nan 0.000 0.553 4 Q N 4.514 123.557 119.800 -1.263 0.000 2.323 4 Q HA 0.452 4.791 4.340 -0.001 0.000 0.271 4 Q C 0.794 175.856 176.000 -1.564 0.000 1.048 4 Q CA -0.303 54.740 55.803 -1.267 0.000 0.792 4 Q CB 2.079 30.488 28.738 -0.548 0.000 1.280 4 Q HN 0.689 nan 8.270 nan 0.000 0.441 5 A N 2.430 124.357 122.820 -1.487 0.000 1.917 5 A HA -0.226 4.093 4.320 -0.001 0.000 0.219 5 A C 1.583 178.939 177.584 -0.381 0.000 1.182 5 A CA 2.095 53.720 52.037 -0.686 0.000 0.633 5 A CB -0.184 18.640 19.000 -0.292 0.000 0.819 5 A HN 0.808 nan 8.150 nan 0.000 0.448 6 E N 0.057 120.042 120.200 -0.357 0.000 2.479 6 E HA 0.002 4.351 4.350 -0.001 0.000 0.193 6 E C 0.654 177.121 176.600 -0.221 0.000 1.049 6 E CA 0.024 56.283 56.400 -0.235 0.000 0.870 6 E CB -0.327 29.266 29.700 -0.179 0.000 0.944 6 E HN 0.719 nan 8.360 nan 0.000 0.492 7 Q N 1.144 120.779 119.800 -0.274 0.000 2.307 7 Q HA 0.502 4.841 4.340 -0.001 0.000 0.262 7 Q C -0.834 175.070 176.000 -0.160 0.000 0.961 7 Q CA -0.525 55.169 55.803 -0.183 0.000 0.882 7 Q CB 1.536 30.182 28.738 -0.153 0.000 1.264 7 Q HN 0.175 nan 8.270 nan 0.000 0.446 8 A N 4.029 126.785 122.820 -0.106 0.000 2.580 8 A HA -0.147 4.172 4.320 -0.001 0.000 0.244 8 A C -0.615 176.990 177.584 0.035 0.000 1.045 8 A CA 0.237 52.224 52.037 -0.084 0.000 0.761 8 A CB -0.172 18.794 19.000 -0.057 0.000 0.962 8 A HN 0.757 nan 8.150 nan 0.000 0.512 9 Y N 3.672 123.874 120.300 -0.163 0.000 2.724 9 Y HA 0.077 4.626 4.550 -0.002 0.000 0.354 9 Y C 0.879 176.713 175.900 -0.111 0.000 1.270 9 Y CA -0.925 57.090 58.100 -0.142 0.000 1.902 9 Y CB -0.726 37.729 38.460 -0.008 0.000 1.981 9 Y HN 0.748 nan 8.280 nan 0.000 0.428 10 N N 0.349 119.092 118.700 0.071 0.000 2.381 10 N HA -0.144 4.595 4.740 -0.001 0.000 0.182 10 N C 1.270 176.772 175.510 -0.013 0.000 1.025 10 N CA 1.049 54.115 53.050 0.026 0.000 0.888 10 N CB -0.280 38.257 38.487 0.083 0.000 0.965 10 N HN 0.633 nan 8.380 nan 0.000 0.438 11 H N -0.554 118.443 119.070 -0.121 0.000 2.537 11 H HA 0.164 4.719 4.556 -0.001 0.000 0.295 11 H C 0.309 175.364 175.328 -0.456 0.000 1.054 11 H CA -0.745 55.208 56.048 -0.158 0.000 1.156 11 H CB -0.812 28.950 29.762 0.001 0.000 1.468 11 H HN 0.000 nan 8.280 nan 0.000 0.551 12 L N 3.395 124.045 121.223 -0.954 0.000 2.628 12 L HA 0.119 4.458 4.340 -0.001 0.000 0.274 12 L C -2.350 174.307 176.870 -0.355 0.000 1.209 12 L CA -1.381 52.842 54.840 -1.030 0.000 0.930 12 L CB 0.296 42.002 42.059 -0.590 0.000 1.183 12 L HN -0.022 nan 8.230 nan 0.000 0.492 13 P HA 0.093 nan 4.420 nan 0.000 0.261 13 P C -2.437 174.876 177.300 0.022 0.000 1.183 13 P CA -0.554 62.548 63.100 0.003 0.000 0.761 13 P CB -0.094 31.673 31.700 0.112 0.000 0.785 14 P HA 0.040 nan 4.420 nan 0.000 0.268 14 P C -0.157 177.150 177.300 0.011 0.000 1.208 14 P CA 0.054 63.165 63.100 0.018 0.000 0.777 14 P CB 0.414 32.129 31.700 0.026 0.000 0.875 15 L N 4.054 125.253 121.223 -0.039 0.000 2.453 15 L HA 0.179 4.519 4.340 -0.001 0.000 0.272 15 L C -1.653 175.198 176.870 -0.033 0.000 1.182 15 L CA -1.546 53.187 54.840 -0.179 0.000 0.858 15 L CB -0.262 41.450 42.059 -0.578 0.000 1.120 15 L HN 0.288 nan 8.230 nan 0.000 0.474 16 P HA 0.098 nan 4.420 nan 0.000 0.275 16 P C 0.023 177.431 177.300 0.180 0.000 1.227 16 P CA -0.133 63.000 63.100 0.056 0.000 0.781 16 P CB 1.194 32.890 31.700 -0.006 0.000 0.906 17 L N 0.384 121.679 121.223 0.120 0.000 2.717 17 L HA 0.132 4.472 4.340 -0.001 0.000 0.239 17 L C 1.276 178.176 176.870 0.049 0.000 1.086 17 L CA 0.083 54.986 54.840 0.105 0.000 0.897 17 L CB -0.173 41.940 42.059 0.090 0.000 1.214 17 L HN 0.389 nan 8.230 nan 0.000 0.508 18 D N -1.018 119.406 120.400 0.040 0.000 2.511 18 D HA 0.001 4.640 4.640 -0.001 0.000 0.283 18 D C 1.348 177.656 176.300 0.013 0.000 1.198 18 D CA 0.332 54.345 54.000 0.021 0.000 1.097 18 D CB 0.052 40.864 40.800 0.020 0.000 1.160 18 D HN -0.072 nan 8.370 nan 0.000 0.589 19 S N -1.298 114.407 115.700 0.007 0.000 2.469 19 S HA -0.140 4.329 4.470 -0.001 0.000 0.238 19 S C 1.450 176.048 174.600 -0.003 0.000 0.998 19 S CA 0.565 58.766 58.200 0.002 0.000 0.957 19 S CB -0.541 62.660 63.200 0.001 0.000 0.764 19 S HN 0.439 nan 8.310 nan 0.000 0.514 20 K N 0.401 120.799 120.400 -0.003 0.000 2.209 20 K HA 0.004 4.323 4.320 -0.001 0.000 0.204 20 K C 1.934 178.514 176.600 -0.033 0.000 1.048 20 K CA 1.062 57.339 56.287 -0.016 0.000 0.940 20 K CB -0.407 32.085 32.500 -0.014 0.000 0.729 20 K HN 0.354 nan 8.250 nan 0.000 0.451 21 L N 1.129 122.346 121.223 -0.011 0.000 1.976 21 L HA -0.129 4.210 4.340 -0.001 0.000 0.209 21 L C 2.218 179.076 176.870 -0.021 0.000 1.071 21 L CA 2.023 56.861 54.840 -0.003 0.000 0.746 21 L CB -0.849 41.247 42.059 0.061 0.000 0.890 21 L HN 0.089 nan 8.230 nan 0.000 0.432 22 A N -0.952 121.861 122.820 -0.011 0.000 1.933 22 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 22 A C 2.118 179.691 177.584 -0.018 0.000 1.175 22 A CA 1.587 53.617 52.037 -0.012 0.000 0.628 22 A CB -0.620 18.375 19.000 -0.009 0.000 0.814 22 A HN 0.596 nan 8.150 nan 0.000 0.444 23 E N -0.647 119.540 120.200 -0.022 0.000 2.110 23 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 23 E C 1.936 178.515 176.600 -0.034 0.000 0.988 23 E CA 1.272 57.660 56.400 -0.021 0.000 0.804 23 E CB -0.315 29.374 29.700 -0.017 0.000 0.745 23 E HN 0.576 nan 8.360 nan 0.000 0.458 24 L N 0.251 121.433 121.223 -0.068 0.000 2.102 24 L HA 0.102 4.441 4.340 -0.001 0.000 0.202 24 L C 2.082 178.901 176.870 -0.085 0.000 1.076 24 L CA 1.916 56.690 54.840 -0.110 0.000 0.761 24 L CB -0.515 41.395 42.059 -0.249 0.000 0.921 24 L HN -0.018 nan 8.230 nan 0.000 0.444 25 A N -1.298 121.478 122.820 -0.072 0.000 2.072 25 A HA 0.057 4.376 4.320 -0.001 0.000 0.216 25 A C 1.006 178.596 177.584 0.010 0.000 1.156 25 A CA 0.276 52.299 52.037 -0.024 0.000 0.701 25 A CB -0.394 18.604 19.000 -0.003 0.000 0.816 25 A HN 0.524 nan 8.150 nan 0.000 0.458 26 E N 1.632 121.833 120.200 0.002 0.000 2.079 26 E HA 0.284 4.633 4.350 -0.001 0.000 0.252 26 E C -0.452 176.154 176.600 0.011 0.000 0.992 26 E CA -0.226 56.179 56.400 0.009 0.000 0.829 26 E CB 0.490 30.192 29.700 0.003 0.000 1.158 26 E HN 0.505 nan 8.360 nan 0.000 0.435 27 T N -1.323 113.243 114.554 0.019 0.000 2.950 27 T HA 0.354 4.703 4.350 -0.001 0.000 0.288 27 T C 1.242 175.953 174.700 0.018 0.000 1.035 27 T CA -0.832 61.280 62.100 0.021 0.000 1.028 27 T CB 1.097 69.984 68.868 0.031 0.000 1.109 27 T HN 0.249 nan 8.240 nan 0.000 0.514 28 L N 0.806 122.039 121.223 0.016 0.000 2.012 28 L HA 0.022 4.361 4.340 -0.001 0.000 0.210 28 L C -0.554 176.325 176.870 0.014 0.000 1.073 28 L CA 1.330 56.177 54.840 0.013 0.000 0.748 28 L CB -1.572 40.493 42.059 0.011 0.000 0.891 28 L HN 0.538 nan 8.230 nan 0.000 0.431 29 P HA -0.142 nan 4.420 nan 0.000 0.217 29 P C 1.820 179.130 177.300 0.017 0.000 1.150 29 P CA 1.425 64.536 63.100 0.018 0.000 0.832 29 P CB 0.083 31.799 31.700 0.026 0.000 0.787 30 I N -1.302 119.282 120.570 0.024 0.000 2.202 30 I HA -0.204 3.965 4.170 -0.001 0.000 0.242 30 I C 2.287 178.411 176.117 0.011 0.000 1.091 30 I CA 1.241 62.555 61.300 0.023 0.000 1.368 30 I CB -0.642 37.381 38.000 0.039 0.000 1.058 30 I HN -0.133 nan 8.210 nan 0.000 0.410 31 L N 0.471 121.700 121.223 0.010 0.000 2.042 31 L HA -0.242 4.097 4.340 -0.001 0.000 0.210 31 L C 2.560 179.428 176.870 -0.003 0.000 1.076 31 L CA 1.559 56.401 54.840 0.003 0.000 0.749 31 L CB -0.679 41.382 42.059 0.003 0.000 0.893 31 L HN 0.186 nan 8.230 nan 0.000 0.432 32 K N 0.130 120.529 120.400 -0.001 0.000 2.063 32 K HA -0.170 4.149 4.320 -0.001 0.000 0.208 32 K C 2.209 178.801 176.600 -0.013 0.000 1.048 32 K CA 1.491 57.774 56.287 -0.005 0.000 0.928 32 K CB -0.279 32.220 32.500 -0.002 0.000 0.713 32 K HN 0.310 nan 8.250 nan 0.000 0.442 33 A N 0.584 123.394 122.820 -0.015 0.000 2.015 33 A HA -0.163 4.156 4.320 -0.001 0.000 0.219 33 A C 2.292 179.852 177.584 -0.040 0.000 1.163 33 A CA 1.230 53.248 52.037 -0.031 0.000 0.646 33 A CB -0.844 18.136 19.000 -0.034 0.000 0.806 33 A HN 0.489 nan 8.150 nan 0.000 0.448 34 C N -0.722 118.561 119.300 -0.027 0.000 2.450 34 C HA 0.050 4.510 4.460 -0.001 0.000 0.279 34 C C 2.519 177.492 174.990 -0.029 0.000 1.335 34 C CA 0.663 59.664 59.018 -0.029 0.000 1.749 34 C CB -1.400 26.331 27.740 -0.014 0.000 1.963 34 C HN 0.614 nan 8.230 nan 0.000 0.501 35 I N 2.568 123.124 120.570 -0.023 0.000 2.091 35 I HA -0.161 4.008 4.170 -0.001 0.000 0.239 35 I C -0.132 175.969 176.117 -0.027 0.000 1.061 35 I CA 2.042 63.329 61.300 -0.022 0.000 1.317 35 I CB -1.611 36.379 38.000 -0.016 0.000 1.031 35 I HN 0.315 nan 8.210 nan 0.000 0.401 36 P HA -0.111 nan 4.420 nan 0.000 0.221 36 P C 1.361 178.633 177.300 -0.047 0.000 1.150 36 P CA 1.754 64.834 63.100 -0.034 0.000 0.800 36 P CB 0.003 31.683 31.700 -0.034 0.000 0.787 37 A N 0.959 123.744 122.820 -0.059 0.000 1.877 37 A HA -0.178 4.141 4.320 -0.001 0.000 0.216 37 A C 2.419 179.970 177.584 -0.056 0.000 1.186 37 A CA 1.358 53.351 52.037 -0.073 0.000 0.620 37 A CB -0.968 17.979 19.000 -0.088 0.000 0.822 37 A HN -0.014 nan 8.150 nan 0.000 0.443 38 R N -0.447 120.027 120.500 -0.044 0.000 2.092 38 R HA -0.030 4.309 4.340 -0.001 0.000 0.231 38 R C 2.406 178.686 176.300 -0.032 0.000 1.119 38 R CA 1.332 57.410 56.100 -0.036 0.000 0.970 38 R CB -1.045 29.236 30.300 -0.031 0.000 0.864 38 R HN 0.542 nan 8.270 nan 0.000 0.440 39 A N 1.178 123.980 122.820 -0.029 0.000 1.873 39 A HA -0.037 4.282 4.320 -0.001 0.000 0.215 39 A C 2.396 179.965 177.584 -0.026 0.000 1.186 39 A CA 1.704 53.727 52.037 -0.023 0.000 0.616 39 A CB -0.566 18.423 19.000 -0.019 0.000 0.823 39 A HN 0.324 nan 8.150 nan 0.000 0.442 40 A N -0.617 122.182 122.820 -0.034 0.000 1.902 40 A HA -0.050 4.270 4.320 -0.001 0.000 0.217 40 A C 2.118 179.678 177.584 -0.039 0.000 1.181 40 A CA 1.757 53.769 52.037 -0.041 0.000 0.623 40 A CB -0.621 18.347 19.000 -0.054 0.000 0.818 40 A HN 0.593 nan 8.150 nan 0.000 0.443 41 L N -0.347 120.852 121.223 -0.039 0.000 2.083 41 L HA -0.049 4.291 4.340 -0.001 0.000 0.209 41 L C 2.679 179.534 176.870 -0.025 0.000 1.083 41 L CA 2.004 56.825 54.840 -0.033 0.000 0.752 41 L CB -0.735 41.301 42.059 -0.038 0.000 0.899 41 L HN 0.356 nan 8.230 nan 0.000 0.433 42 A N -1.038 121.767 122.820 -0.024 0.000 1.898 42 A HA -0.236 4.083 4.320 -0.001 0.000 0.216 42 A C 2.305 179.881 177.584 -0.013 0.000 1.181 42 A CA 1.569 53.595 52.037 -0.018 0.000 0.620 42 A CB -0.640 18.349 19.000 -0.018 0.000 0.819 42 A HN 0.583 nan 8.150 nan 0.000 0.442 43 E N -0.415 119.777 120.200 -0.015 0.000 2.058 43 E HA -0.233 4.116 4.350 -0.001 0.000 0.194 43 E C 1.937 178.531 176.600 -0.010 0.000 0.997 43 E CA 1.569 57.963 56.400 -0.011 0.000 0.801 43 E CB -0.239 29.454 29.700 -0.012 0.000 0.746 43 E HN 0.439 nan 8.360 nan 0.000 0.450 44 L N 1.800 123.013 121.223 -0.017 0.000 2.012 44 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 44 L C 2.392 179.262 176.870 -0.001 0.000 1.073 44 L CA 2.232 57.067 54.840 -0.009 0.000 0.748 44 L CB -0.674 41.381 42.059 -0.006 0.000 0.891 44 L HN 0.051 nan 8.230 nan 0.000 0.431 45 K N -1.050 119.348 120.400 -0.005 0.000 2.032 45 K HA -0.296 4.023 4.320 -0.001 0.000 0.209 45 K C 2.269 178.871 176.600 0.004 0.000 1.048 45 K CA 1.952 58.237 56.287 -0.002 0.000 0.927 45 K CB -0.203 32.292 32.500 -0.007 0.000 0.712 45 K HN 0.424 nan 8.250 nan 0.000 0.441 46 Q N 0.392 120.193 119.800 0.002 0.000 2.079 46 Q HA -0.053 4.286 4.340 -0.001 0.000 0.200 46 Q C 1.765 177.770 176.000 0.009 0.000 0.974 46 Q CA 1.948 57.755 55.803 0.006 0.000 0.840 46 Q CB -0.358 28.382 28.738 0.004 0.000 0.898 46 Q HN 0.413 nan 8.270 nan 0.000 0.430 47 A N -0.198 122.627 122.820 0.009 0.000 1.902 47 A HA -0.063 4.256 4.320 -0.001 0.000 0.217 47 A C 2.302 179.895 177.584 0.015 0.000 1.181 47 A CA 1.696 53.740 52.037 0.012 0.000 0.623 47 A CB -1.464 17.542 19.000 0.011 0.000 0.818 47 A HN 0.550 nan 8.150 nan 0.000 0.443 48 G N -0.500 108.310 108.800 0.016 0.000 2.446 48 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.217 48 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.217 48 G C 1.413 176.329 174.900 0.026 0.000 1.168 48 G CA 1.033 46.146 45.100 0.022 0.000 0.771 48 G HN 0.661 nan 8.290 nan 0.000 0.551 49 E N -0.216 119.998 120.200 0.024 0.000 2.204 49 E HA 0.038 4.388 4.350 -0.001 0.000 0.194 49 E C 2.338 178.954 176.600 0.027 0.000 0.989 49 E CA 0.295 56.712 56.400 0.029 0.000 0.824 49 E CB -0.074 29.642 29.700 0.026 0.000 0.756 49 E HN 0.411 nan 8.360 nan 0.000 0.477 50 L N 0.574 121.810 121.223 0.021 0.000 2.529 50 L HA 0.090 4.429 4.340 -0.001 0.000 0.223 50 L C 0.706 177.588 176.870 0.019 0.000 1.113 50 L CA -0.427 54.424 54.840 0.019 0.000 0.861 50 L CB 0.168 42.236 42.059 0.014 0.000 1.012 50 L HN 0.129 nan 8.230 nan 0.000 0.461 51 L N 2.079 123.314 121.223 0.020 0.000 2.534 51 L HA 0.090 4.429 4.340 -0.001 0.000 0.271 51 L C -1.419 175.466 176.870 0.024 0.000 1.178 51 L CA -0.847 54.002 54.840 0.015 0.000 0.907 51 L CB 0.551 42.619 42.059 0.015 0.000 1.164 51 L HN -0.164 nan 8.230 nan 0.000 0.482 52 P HA -0.115 nan 4.420 nan 0.000 0.217 52 P C -0.199 177.139 177.300 0.062 0.000 1.150 52 P CA 1.170 64.305 63.100 0.059 0.000 0.832 52 P CB 0.066 31.831 31.700 0.108 0.000 0.787 53 N N 0.990 119.706 118.700 0.026 0.000 2.895 53 N HA 0.004 4.743 4.740 -0.001 0.000 0.277 53 N C 0.979 176.517 175.510 0.047 0.000 1.185 53 N CA 0.025 53.093 53.050 0.029 0.000 1.106 53 N CB 0.314 38.787 38.487 -0.024 0.000 1.422 53 N HN 0.199 nan 8.380 nan 0.000 0.521 54 Q N 0.530 120.365 119.800 0.059 0.000 2.167 54 Q HA -0.063 4.277 4.340 -0.001 0.000 0.202 54 Q C 1.944 177.985 176.000 0.070 0.000 0.970 54 Q CA 0.739 56.582 55.803 0.066 0.000 0.855 54 Q CB -0.150 28.633 28.738 0.075 0.000 0.911 54 Q HN 0.600 nan 8.270 nan 0.000 0.438 55 G N 1.448 110.288 108.800 0.066 0.000 2.418 55 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.217 55 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.217 55 G C 1.523 176.458 174.900 0.058 0.000 1.158 55 G CA 0.615 45.748 45.100 0.055 0.000 0.771 55 G HN 0.338 nan 8.290 nan 0.000 0.545 56 L N -0.004 121.273 121.223 0.091 0.000 1.990 56 L HA -0.087 4.252 4.340 -0.001 0.000 0.213 56 L C 2.857 179.785 176.870 0.096 0.000 1.072 56 L CA 1.333 56.257 54.840 0.139 0.000 0.755 56 L CB -0.189 41.982 42.059 0.187 0.000 0.889 56 L HN 0.227 nan 8.230 nan 0.000 0.432 57 L N -0.665 120.605 121.223 0.079 0.000 2.017 57 L HA -0.240 4.099 4.340 -0.001 0.000 0.208 57 L C 2.505 179.401 176.870 0.043 0.000 1.073 57 L CA 0.905 55.783 54.840 0.064 0.000 0.745 57 L CB -0.517 41.576 42.059 0.057 0.000 0.894 57 L HN 0.314 nan 8.230 nan 0.000 0.432 58 I N -0.061 120.535 120.570 0.044 0.000 2.500 58 I HA -0.159 4.011 4.170 -0.001 0.000 0.252 58 I C 2.041 178.133 176.117 -0.041 0.000 1.142 58 I CA 1.142 62.466 61.300 0.040 0.000 1.451 58 I CB -1.160 36.904 38.000 0.107 0.000 1.093 58 I HN 0.331 nan 8.210 nan 0.000 0.430 59 N N 0.686 119.349 118.700 -0.062 0.000 2.290 59 N HA 0.018 4.757 4.740 -0.001 0.000 0.179 59 N C 1.939 177.362 175.510 -0.145 0.000 1.016 59 N CA 1.041 54.017 53.050 -0.123 0.000 0.871 59 N CB 0.030 38.449 38.487 -0.113 0.000 0.987 59 N HN 0.310 nan 8.380 nan 0.000 0.431 60 L N -0.148 120.999 121.223 -0.126 0.000 2.349 60 L HA 0.205 4.545 4.340 -0.001 0.000 0.200 60 L C 2.070 178.926 176.870 -0.023 0.000 1.064 60 L CA 0.198 54.917 54.840 -0.201 0.000 0.821 60 L CB -0.408 41.503 42.059 -0.247 0.000 1.027 60 L HN -0.024 nan 8.230 nan 0.000 0.476 61 L N 0.563 121.799 121.223 0.023 0.000 2.042 61 L HA -0.149 4.190 4.340 -0.001 0.000 0.210 61 L C -0.302 176.578 176.870 0.016 0.000 1.076 61 L CA 1.504 56.369 54.840 0.041 0.000 0.749 61 L CB -1.627 40.475 42.059 0.072 0.000 0.893 61 L HN 0.207 nan 8.230 nan 0.000 0.432 62 P HA -0.161 nan 4.420 nan 0.000 0.221 62 P C 1.798 179.140 177.300 0.069 0.000 1.145 62 P CA 1.248 64.390 63.100 0.069 0.000 0.795 62 P CB 0.085 31.840 31.700 0.093 0.000 0.775 63 L N -1.771 119.483 121.223 0.051 0.000 2.072 63 L HA -0.113 4.226 4.340 -0.001 0.000 0.205 63 L C 2.389 179.270 176.870 0.019 0.000 1.079 63 L CA 1.073 55.966 54.840 0.087 0.000 0.752 63 L CB -0.872 41.285 42.059 0.163 0.000 0.906 63 L HN -0.038 nan 8.230 nan 0.000 0.436 64 L N -0.161 121.015 121.223 -0.078 0.000 2.012 64 L HA -0.239 4.100 4.340 -0.001 0.000 0.210 64 L C 2.662 179.269 176.870 -0.438 0.000 1.073 64 L CA 1.336 55.935 54.840 -0.402 0.000 0.748 64 L CB -0.385 41.207 42.059 -0.780 0.000 0.891 64 L HN 0.266 nan 8.230 nan 0.000 0.431 65 E N 0.381 120.435 120.200 -0.243 0.000 2.106 65 E HA -0.190 4.159 4.350 -0.001 0.000 0.192 65 E C 2.071 178.614 176.600 -0.095 0.000 0.984 65 E CA 1.415 57.819 56.400 0.006 0.000 0.806 65 E CB -0.101 29.678 29.700 0.131 0.000 0.750 65 E HN 0.363 nan 8.360 nan 0.000 0.458 66 A N 0.877 123.639 122.820 -0.097 0.000 1.908 66 A HA -0.242 4.077 4.320 -0.001 0.000 0.218 66 A C 2.245 179.649 177.584 -0.300 0.000 1.181 66 A CA 1.778 53.635 52.037 -0.299 0.000 0.627 66 A CB -0.745 18.279 19.000 0.040 0.000 0.818 66 A HN 0.351 nan 8.150 nan 0.000 0.445 67 Q N -0.116 119.602 119.800 -0.137 0.000 2.020 67 Q HA -0.150 4.189 4.340 -0.001 0.000 0.202 67 Q C 2.148 178.095 176.000 -0.088 0.000 0.982 67 Q CA 2.309 58.058 55.803 -0.090 0.000 0.838 67 Q CB -0.873 27.829 28.738 -0.059 0.000 0.899 67 Q HN 0.539 nan 8.270 nan 0.000 0.423 68 G N -0.136 108.642 108.800 -0.037 0.000 2.394 68 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.215 68 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.215 68 G C 1.601 176.449 174.900 -0.086 0.000 1.165 68 G CA 0.969 46.067 45.100 -0.003 0.000 0.784 68 G HN 0.447 nan 8.290 nan 0.000 0.535 69 S N 0.305 115.898 115.700 -0.178 0.000 2.382 69 S HA -0.094 4.375 4.470 -0.001 0.000 0.228 69 S C 2.696 177.181 174.600 -0.193 0.000 1.027 69 S CA 1.821 59.889 58.200 -0.220 0.000 0.991 69 S CB -0.301 62.655 63.200 -0.407 0.000 0.823 69 S HN 0.317 nan 8.310 nan 0.000 0.469 70 S N 0.817 116.343 115.700 -0.290 0.000 2.368 70 S HA -0.082 4.387 4.470 -0.001 0.000 0.224 70 S C 1.844 176.428 174.600 -0.027 0.000 1.029 70 S CA 1.159 59.289 58.200 -0.118 0.000 0.988 70 S CB -0.421 62.711 63.200 -0.114 0.000 0.838 70 S HN 0.684 nan 8.310 nan 0.000 0.462 71 E N 1.045 121.221 120.200 -0.039 0.000 2.110 71 E HA -0.143 4.206 4.350 -0.001 0.000 0.193 71 E C 1.851 178.466 176.600 0.025 0.000 0.988 71 E CA 0.946 57.342 56.400 -0.007 0.000 0.804 71 E CB -0.221 29.466 29.700 -0.022 0.000 0.745 71 E HN 0.488 nan 8.360 nan 0.000 0.458 72 I N 1.322 121.908 120.570 0.026 0.000 2.248 72 I HA -0.231 3.938 4.170 -0.001 0.000 0.248 72 I C 1.561 177.777 176.117 0.165 0.000 1.107 72 I CA 1.075 62.426 61.300 0.085 0.000 1.373 72 I CB -0.089 37.951 38.000 0.066 0.000 1.055 72 I HN 0.045 nan 8.210 nan 0.000 0.418 73 E N 0.794 121.078 120.200 0.140 0.000 2.419 73 E HA 0.070 4.419 4.350 -0.001 0.000 0.190 73 E C -0.204 176.458 176.600 0.103 0.000 1.040 73 E CA -0.058 56.431 56.400 0.149 0.000 0.900 73 E CB -0.458 29.337 29.700 0.159 0.000 1.054 73 E HN 0.474 nan 8.360 nan 0.000 0.462 74 N N 0.628 119.377 118.700 0.082 0.000 2.741 74 N HA -0.156 4.583 4.740 -0.001 0.000 0.250 74 N C -0.700 174.836 175.510 0.045 0.000 1.115 74 N CA 0.298 53.383 53.050 0.058 0.000 0.724 74 N CB -0.603 37.918 38.487 0.057 0.000 1.090 74 N HN 0.142 nan 8.380 nan 0.000 0.558 75 I N 1.439 122.034 120.570 0.042 0.000 2.361 75 I HA 0.239 4.409 4.170 -0.001 0.000 0.282 75 I C 0.148 176.274 176.117 0.015 0.000 1.075 75 I CA -0.474 60.846 61.300 0.032 0.000 1.205 75 I CB 0.486 38.512 38.000 0.044 0.000 1.406 75 I HN -0.165 nan 8.210 nan 0.000 0.481 76 V N 5.362 125.283 119.914 0.013 0.000 2.370 76 V HA 0.606 4.725 4.120 -0.001 0.000 0.283 76 V C 0.339 176.436 176.094 0.005 0.000 1.023 76 V CA -0.212 62.091 62.300 0.005 0.000 0.857 76 V CB 1.780 33.607 31.823 0.006 0.000 0.985 76 V HN 0.785 nan 8.190 nan 0.000 0.443 77 T N 2.639 117.194 114.554 0.001 0.000 2.696 77 T HA 0.687 5.037 4.350 -0.001 0.000 0.291 77 T C -0.289 174.410 174.700 -0.001 0.000 1.095 77 T CA 0.131 62.236 62.100 0.008 0.000 1.026 77 T CB 2.172 71.052 68.868 0.021 0.000 1.390 77 T HN 0.876 nan 8.240 nan 0.000 0.513 78 T N -0.991 113.564 114.554 0.002 0.000 2.940 78 T HA 0.440 4.789 4.350 -0.001 0.000 0.288 78 T C 1.528 176.205 174.700 -0.038 0.000 1.033 78 T CA 0.162 62.248 62.100 -0.023 0.000 1.033 78 T CB 1.080 69.933 68.868 -0.026 0.000 1.079 78 T HN 0.756 nan 8.240 nan 0.000 0.496 79 T N -1.532 112.961 114.554 -0.101 0.000 2.915 79 T HA -0.117 4.232 4.350 -0.001 0.000 0.269 79 T C 1.448 175.984 174.700 -0.273 0.000 1.071 79 T CA 1.176 63.170 62.100 -0.177 0.000 1.132 79 T CB -0.521 68.169 68.868 -0.296 0.000 0.878 79 T HN 0.652 nan 8.240 nan 0.000 0.479 80 D N 1.614 121.877 120.400 -0.228 0.000 2.097 80 D HA -0.071 4.568 4.640 -0.001 0.000 0.195 80 D C 2.156 178.429 176.300 -0.045 0.000 0.989 80 D CA 1.065 54.976 54.000 -0.147 0.000 0.827 80 D CB -0.116 40.642 40.800 -0.070 0.000 0.966 80 D HN 0.439 nan 8.370 nan 0.000 0.456 81 K N 0.010 120.401 120.400 -0.016 0.000 2.057 81 K HA -0.094 4.226 4.320 -0.001 0.000 0.207 81 K C 2.418 179.086 176.600 0.113 0.000 1.049 81 K CA 0.602 56.915 56.287 0.043 0.000 0.931 81 K CB -0.128 32.461 32.500 0.148 0.000 0.714 81 K HN 0.199 nan 8.250 nan 0.000 0.440 82 L N -0.108 121.197 121.223 0.137 0.000 2.042 82 L HA -0.207 4.132 4.340 -0.001 0.000 0.210 82 L C 2.312 179.336 176.870 0.258 0.000 1.076 82 L CA 1.159 56.120 54.840 0.201 0.000 0.749 82 L CB -0.434 41.744 42.059 0.197 0.000 0.893 82 L HN 0.089 nan 8.230 nan 0.000 0.432 83 F N 0.077 120.002 119.950 -0.042 0.000 2.186 83 F HA -0.223 4.303 4.527 -0.001 0.000 0.299 83 F C 2.764 178.421 175.800 -0.239 0.000 1.090 83 F CA 1.334 59.326 58.000 -0.013 0.000 1.307 83 F CB -0.806 38.273 39.000 0.132 0.000 1.019 83 F HN 0.165 nan 8.300 nan 0.000 0.489 84 Q N -0.978 118.530 119.800 -0.488 0.000 2.119 84 Q HA -0.214 4.125 4.340 -0.001 0.000 0.201 84 Q C 1.041 176.605 176.000 -0.727 0.000 0.972 84 Q CA 1.653 56.721 55.803 -1.226 0.000 0.847 84 Q CB -0.185 27.730 28.738 -1.370 0.000 0.903 84 Q HN 0.457 nan 8.270 nan 0.000 0.433 85 Y N -1.143 119.059 120.300 -0.165 0.000 2.524 85 Y HA 0.383 4.932 4.550 -0.001 0.000 0.266 85 Y C 1.575 177.450 175.900 -0.041 0.000 1.180 85 Y CA 0.069 58.117 58.100 -0.087 0.000 1.244 85 Y CB 0.028 38.452 38.460 -0.060 0.000 1.125 85 Y HN 0.194 nan 8.280 nan 0.000 0.524 86 A N 0.059 122.914 122.820 0.059 0.000 1.978 86 A HA -0.236 4.083 4.320 -0.001 0.000 0.220 86 A C 1.840 179.439 177.584 0.025 0.000 1.170 86 A CA 1.961 54.018 52.037 0.034 0.000 0.636 86 A CB -0.219 18.760 19.000 -0.035 0.000 0.810 86 A HN 0.560 nan 8.150 nan 0.000 0.448 87 Q N -2.117 117.701 119.800 0.031 0.000 2.350 87 Q HA 0.231 4.571 4.340 -0.001 0.000 0.225 87 Q C -0.187 175.842 176.000 0.048 0.000 0.878 87 Q CA 0.191 56.011 55.803 0.030 0.000 0.935 87 Q CB 0.925 29.681 28.738 0.030 0.000 1.099 87 Q HN 0.417 nan 8.270 nan 0.000 0.527 88 E N 1.177 121.422 120.200 0.075 0.000 2.415 88 E HA 0.046 4.395 4.350 -0.001 0.000 0.302 88 E C -1.708 174.982 176.600 0.151 0.000 0.907 88 E CA -0.004 56.448 56.400 0.086 0.000 0.798 88 E CB 1.253 30.998 29.700 0.074 0.000 1.315 88 E HN 0.205 nan 8.360 nan 0.000 0.396 89 D N 1.490 121.945 120.400 0.092 0.000 2.623 89 D HA 0.031 4.671 4.640 -0.001 0.000 0.252 89 D C 1.031 177.278 176.300 -0.090 0.000 1.294 89 D CA 0.233 54.248 54.000 0.024 0.000 0.824 89 D CB 0.240 41.032 40.800 -0.013 0.000 1.070 89 D HN 0.209 nan 8.370 nan 0.000 0.487 90 S N 0.087 115.775 115.700 -0.019 0.000 2.370 90 S HA -0.259 4.210 4.470 -0.001 0.000 0.226 90 S C 1.720 176.271 174.600 -0.082 0.000 1.033 90 S CA 0.790 58.967 58.200 -0.038 0.000 1.011 90 S CB -0.372 62.829 63.200 0.001 0.000 0.852 90 S HN 0.146 nan 8.310 nan 0.000 0.457 91 Q N 1.362 121.117 119.800 -0.076 0.000 2.472 91 Q HA 0.397 4.736 4.340 -0.001 0.000 0.208 91 Q C 0.903 176.705 176.000 -0.330 0.000 0.958 91 Q CA 0.569 56.316 55.803 -0.094 0.000 0.932 91 Q CB -0.418 28.374 28.738 0.089 0.000 1.007 91 Q HN 0.749 nan 8.270 nan 0.000 0.508 92 A N 2.767 125.169 122.820 -0.697 0.000 2.445 92 A HA 0.088 4.407 4.320 -0.001 0.000 0.242 92 A C 0.328 177.687 177.584 -0.374 0.000 1.075 92 A CA -0.477 51.013 52.037 -0.912 0.000 0.777 92 A CB 0.148 18.552 19.000 -0.994 0.000 1.013 92 A HN 0.281 nan 8.150 nan 0.000 0.493 93 D N 1.900 122.144 120.400 -0.259 0.000 2.368 93 D HA 0.227 4.866 4.640 -0.001 0.000 0.240 93 D C -2.473 173.761 176.300 -0.109 0.000 1.169 93 D CA -0.955 52.968 54.000 -0.129 0.000 0.906 93 D CB -0.137 40.621 40.800 -0.071 0.000 1.187 93 D HN 0.183 nan 8.370 nan 0.000 0.435 97 K N 1.525 121.896 120.400 -0.048 0.000 2.063 97 K HA -0.106 4.213 4.320 -0.001 0.000 0.208 97 K C 2.091 178.701 176.600 0.016 0.000 1.048 97 K CA 1.782 58.051 56.287 -0.029 0.000 0.928 97 K CB -0.014 32.456 32.500 -0.050 0.000 0.713 97 K HN 0.437 nan 8.250 nan 0.000 0.442 98 E N 0.525 120.738 120.200 0.022 0.000 2.106 98 E HA -0.160 4.189 4.350 -0.001 0.000 0.192 98 E C 1.900 178.554 176.600 0.090 0.000 0.984 98 E CA 0.911 57.342 56.400 0.052 0.000 0.806 98 E CB 0.010 29.736 29.700 0.044 0.000 0.750 98 E HN 0.330 nan 8.360 nan 0.000 0.458 99 A N 0.824 123.687 122.820 0.071 0.000 1.902 99 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 99 A C 2.148 179.807 177.584 0.125 0.000 1.181 99 A CA 1.014 53.100 52.037 0.081 0.000 0.623 99 A CB -0.625 18.394 19.000 0.032 0.000 0.818 99 A HN 0.310 nan 8.150 nan 0.000 0.443 100 L N -0.950 120.332 121.223 0.098 0.000 2.131 100 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 100 L C 2.800 179.744 176.870 0.123 0.000 1.092 100 L CA 1.189 56.093 54.840 0.106 0.000 0.759 100 L CB -0.386 41.719 42.059 0.077 0.000 0.903 100 L HN 0.356 nan 8.230 nan 0.000 0.435 101 R N -1.399 119.169 120.500 0.114 0.000 2.115 101 R HA -0.192 4.147 4.340 -0.001 0.000 0.230 101 R C 2.218 178.602 176.300 0.140 0.000 1.111 101 R CA 1.274 57.437 56.100 0.105 0.000 0.976 101 R CB -0.426 29.919 30.300 0.074 0.000 0.870 101 R HN 0.286 nan 8.270 nan 0.000 0.445 102 Y N 1.990 122.324 120.300 0.057 0.000 2.128 102 Y HA -0.276 4.273 4.550 -0.001 0.000 0.284 102 Y C 2.639 178.589 175.900 0.085 0.000 1.154 102 Y CA 1.632 59.774 58.100 0.069 0.000 1.149 102 Y CB -0.153 38.349 38.460 0.069 0.000 0.976 102 Y HN -0.139 nan 8.280 nan 0.000 0.505 103 R N 0.021 120.723 120.500 0.335 0.000 2.083 103 R HA -0.145 4.194 4.340 -0.001 0.000 0.237 103 R C 1.863 178.278 176.300 0.192 0.000 1.137 103 R CA 2.238 58.486 56.100 0.248 0.000 0.951 103 R CB -1.062 29.344 30.300 0.175 0.000 0.851 103 R HN 0.384 nan 8.270 nan 0.000 0.434 104 T N 1.339 115.988 114.554 0.158 0.000 2.684 104 T HA -0.121 4.228 4.350 -0.001 0.000 0.267 104 T C 1.922 176.704 174.700 0.136 0.000 1.036 104 T CA 1.858 64.056 62.100 0.163 0.000 1.148 104 T CB -0.442 68.496 68.868 0.117 0.000 0.863 104 T HN 0.477 nan 8.240 nan 0.000 0.436 105 A N 1.328 124.181 122.820 0.055 0.000 1.883 105 A HA -0.055 4.264 4.320 -0.001 0.000 0.217 105 A C 2.266 179.851 177.584 0.002 0.000 1.186 105 A CA 1.527 53.559 52.037 -0.008 0.000 0.624 105 A CB -0.894 18.044 19.000 -0.103 0.000 0.822 105 A HN 0.402 nan 8.150 nan 0.000 0.444 106 L N -1.664 119.552 121.223 -0.012 0.000 2.017 106 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 106 L C 2.332 179.309 176.870 0.178 0.000 1.073 106 L CA 2.579 57.443 54.840 0.041 0.000 0.745 106 L CB -1.014 41.080 42.059 0.057 0.000 0.894 106 L HN 0.535 nan 8.230 nan 0.000 0.432 107 Y N -0.392 119.982 120.300 0.124 0.000 2.153 107 Y HA -0.202 4.347 4.550 -0.001 0.000 0.289 107 Y C 2.549 178.574 175.900 0.208 0.000 1.127 107 Y CA 1.819 60.049 58.100 0.217 0.000 1.131 107 Y CB -0.257 38.300 38.460 0.163 0.000 0.995 107 Y HN 0.275 nan 8.280 nan 0.000 0.505 108 Q N -0.261 119.552 119.800 0.022 0.000 2.050 108 Q HA -0.216 4.123 4.340 -0.001 0.000 0.202 108 Q C 2.578 178.508 176.000 -0.116 0.000 0.980 108 Q CA 1.867 57.606 55.803 -0.106 0.000 0.840 108 Q CB -1.288 27.469 28.738 0.031 0.000 0.898 108 Q HN 0.571 nan 8.270 nan 0.000 0.424 109 C N 0.670 119.960 119.300 -0.017 0.000 2.425 109 C HA -0.151 4.309 4.460 -0.001 0.000 0.277 109 C C 2.564 177.563 174.990 0.014 0.000 1.280 109 C CA 0.546 59.567 59.018 0.005 0.000 1.744 109 C CB -1.437 26.326 27.740 0.039 0.000 1.989 109 C HN 0.525 nan 8.230 nan 0.000 0.491 110 F N 3.212 123.103 119.950 -0.099 0.000 2.095 110 F HA -0.190 4.336 4.527 -0.001 0.000 0.298 110 F C 2.604 178.318 175.800 -0.144 0.000 1.104 110 F CA 2.407 60.349 58.000 -0.095 0.000 1.232 110 F CB -1.150 37.806 39.000 -0.073 0.000 0.987 110 F HN 0.290 nan 8.300 nan 0.000 0.475 111 T N -1.651 112.464 114.554 -0.732 0.000 2.881 111 T HA -0.216 4.133 4.350 -0.001 0.000 0.270 111 T C 1.621 176.056 174.700 -0.441 0.000 1.068 111 T CA 1.678 63.300 62.100 -0.795 0.000 1.131 111 T CB -0.630 67.835 68.868 -0.671 0.000 0.871 111 T HN 0.601 nan 8.240 nan 0.000 0.479 112 Q N 0.016 119.650 119.800 -0.278 0.000 2.360 112 Q HA 0.382 4.722 4.340 -0.001 0.000 0.202 112 Q C 2.090 178.024 176.000 -0.110 0.000 0.915 112 Q CA -0.110 55.599 55.803 -0.157 0.000 0.943 112 Q CB -0.113 28.570 28.738 -0.092 0.000 1.064 112 Q HN 0.487 nan 8.270 nan 0.000 0.511 113 L N 0.575 121.730 121.223 -0.115 0.000 2.079 113 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 113 L C 2.527 179.375 176.870 -0.038 0.000 1.081 113 L CA 1.561 56.380 54.840 -0.035 0.000 0.752 113 L CB -0.557 41.514 42.059 0.019 0.000 0.896 113 L HN 0.338 nan 8.230 nan 0.000 0.433 114 S N -0.486 115.167 115.700 -0.079 0.000 2.382 114 S HA -0.156 4.313 4.470 -0.001 0.000 0.228 114 S C 1.586 176.159 174.600 -0.046 0.000 1.027 114 S CA 1.333 59.498 58.200 -0.058 0.000 0.991 114 S CB -0.364 62.789 63.200 -0.077 0.000 0.823 114 S HN 0.489 nan 8.310 nan 0.000 0.469 115 N N 1.276 119.945 118.700 -0.052 0.000 2.356 115 N HA 0.137 4.876 4.740 -0.001 0.000 0.178 115 N C -0.012 175.484 175.510 -0.023 0.000 1.075 115 N CA 0.295 53.322 53.050 -0.037 0.000 0.889 115 N CB 0.263 38.725 38.487 -0.042 0.000 0.999 115 N HN 0.479 nan 8.380 nan 0.000 0.464 116 R N 1.074 121.563 120.500 -0.017 0.000 2.639 116 R HA 0.340 4.679 4.340 -0.001 0.000 0.273 116 R C -2.697 173.618 176.300 0.024 0.000 1.732 116 R CA -1.328 54.774 56.100 0.004 0.000 1.586 116 R CB 1.517 31.822 30.300 0.009 0.000 1.263 116 R HN -0.026 nan 8.270 nan 0.000 0.615 117 P HA -0.095 nan 4.420 nan 0.000 0.268 117 P C -0.265 177.105 177.300 0.118 0.000 1.208 117 P CA -0.537 62.593 63.100 0.049 0.000 0.777 117 P CB 0.568 32.256 31.700 -0.020 0.000 0.875 118 L N 4.085 125.427 121.223 0.198 0.000 2.559 118 L HA 0.109 4.448 4.340 -0.001 0.000 0.274 118 L C 0.123 177.170 176.870 0.296 0.000 1.205 118 L CA 0.945 55.928 54.840 0.239 0.000 0.907 118 L CB -1.225 40.973 42.059 0.232 0.000 1.153 118 L HN 0.701 nan 8.230 nan 0.000 0.490 119 C N 2.022 121.483 119.300 0.268 0.000 3.272 119 C HA 0.408 4.867 4.460 -0.001 0.000 0.363 119 C C 1.418 176.671 174.990 0.438 0.000 1.514 119 C CA -0.385 58.809 59.018 0.293 0.000 1.185 119 C CB 0.532 28.400 27.740 0.213 0.000 1.716 119 C HN 0.556 nan 8.230 nan 0.000 0.440 120 V N 1.369 121.555 119.914 0.453 0.000 2.392 120 V HA -0.181 3.938 4.120 -0.001 0.000 0.249 120 V C 2.639 178.902 176.094 0.280 0.000 1.059 120 V CA 3.108 65.658 62.300 0.417 0.000 1.051 120 V CB -1.193 30.819 31.823 0.316 0.000 0.658 120 V HN 1.032 nan 8.190 nan 0.000 0.455 121 T N -0.050 114.634 114.554 0.216 0.000 2.720 121 T HA -0.226 4.123 4.350 -0.001 0.000 0.268 121 T C 1.933 176.727 174.700 0.157 0.000 1.037 121 T CA 2.146 64.342 62.100 0.159 0.000 1.144 121 T CB -0.491 68.448 68.868 0.118 0.000 0.864 121 T HN 0.644 nan 8.240 nan 0.000 0.444 122 T N 2.164 116.826 114.554 0.181 0.000 2.684 122 T HA -0.084 4.266 4.350 -0.001 0.000 0.267 122 T C 2.427 177.222 174.700 0.158 0.000 1.036 122 T CA 1.192 63.387 62.100 0.158 0.000 1.148 122 T CB -0.674 68.305 68.868 0.186 0.000 0.863 122 T HN 0.463 nan 8.240 nan 0.000 0.436 123 A N 1.369 124.322 122.820 0.222 0.000 1.883 123 A HA -0.051 4.268 4.320 -0.001 0.000 0.217 123 A C 2.231 179.970 177.584 0.258 0.000 1.186 123 A CA 1.406 53.581 52.037 0.230 0.000 0.624 123 A CB -0.876 18.274 19.000 0.250 0.000 0.822 123 A HN 0.362 nan 8.150 nan 0.000 0.444 124 L N -0.481 120.889 121.223 0.245 0.000 2.046 124 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 124 L C 2.435 179.295 176.870 -0.016 0.000 1.077 124 L CA 2.213 57.117 54.840 0.108 0.000 0.747 124 L CB -0.807 41.337 42.059 0.141 0.000 0.896 124 L HN 0.565 nan 8.230 nan 0.000 0.432 125 E N 0.245 120.463 120.200 0.031 0.000 2.051 125 E HA -0.204 4.145 4.350 -0.001 0.000 0.192 125 E C 2.180 178.765 176.600 -0.025 0.000 0.991 125 E CA 1.445 57.847 56.400 0.005 0.000 0.799 125 E CB -0.268 29.449 29.700 0.028 0.000 0.748 125 E HN 0.440 nan 8.360 nan 0.000 0.449 126 I N -0.089 120.472 120.570 -0.016 0.000 2.127 126 I HA -0.360 3.809 4.170 -0.001 0.000 0.241 126 I C 2.650 178.712 176.117 -0.091 0.000 1.075 126 I CA 1.270 62.541 61.300 -0.049 0.000 1.334 126 I CB -0.472 37.505 38.000 -0.038 0.000 1.040 126 I HN 0.357 nan 8.210 nan 0.000 0.405 127 C N 0.284 119.493 119.300 -0.152 0.000 2.429 127 C HA -0.150 4.309 4.460 -0.001 0.000 0.277 127 C C 3.260 178.120 174.990 -0.217 0.000 1.262 127 C CA 1.651 60.510 59.018 -0.266 0.000 1.733 127 C CB -0.920 26.382 27.740 -0.732 0.000 2.010 127 C HN 0.503 nan 8.230 nan 0.000 0.483 128 S N 0.095 115.677 115.700 -0.198 0.000 2.383 128 S HA -0.171 4.299 4.470 -0.001 0.000 0.229 128 S C 1.802 176.361 174.600 -0.068 0.000 1.030 128 S CA 2.091 60.217 58.200 -0.123 0.000 1.002 128 S CB -0.595 62.551 63.200 -0.089 0.000 0.829 128 S HN 0.787 nan 8.310 nan 0.000 0.467 129 T N 2.581 117.104 114.554 -0.052 0.000 2.708 129 T HA 0.036 4.385 4.350 -0.001 0.000 0.266 129 T C 1.758 176.453 174.700 -0.008 0.000 1.037 129 T CA 1.101 63.189 62.100 -0.021 0.000 1.146 129 T CB -0.399 68.461 68.868 -0.012 0.000 0.865 129 T HN 0.309 nan 8.240 nan 0.000 0.435 130 I N 0.484 121.044 120.570 -0.016 0.000 2.226 130 I HA -0.137 4.032 4.170 -0.001 0.000 0.245 130 I C 2.417 178.544 176.117 0.017 0.000 1.100 130 I CA 1.137 62.451 61.300 0.023 0.000 1.374 130 I CB -0.176 37.847 38.000 0.038 0.000 1.057 130 I HN 0.063 nan 8.210 nan 0.000 0.413 131 K N 0.082 120.471 120.400 -0.018 0.000 2.400 131 K HA 0.090 4.409 4.320 -0.001 0.000 0.194 131 K C 1.039 177.629 176.600 -0.016 0.000 1.033 131 K CA 0.323 56.598 56.287 -0.019 0.000 1.021 131 K CB 0.221 32.691 32.500 -0.050 0.000 0.808 131 K HN 0.162 nan 8.250 nan 0.000 0.505 132 S N 0.393 116.084 115.700 -0.016 0.000 3.641 132 S HA -0.148 4.321 4.470 -0.001 0.000 0.346 132 S C -0.474 174.116 174.600 -0.016 0.000 1.074 132 S CA 0.678 58.871 58.200 -0.010 0.000 1.026 132 S CB -1.204 61.995 63.200 -0.002 0.000 0.908 132 S HN 0.194 nan 8.310 nan 0.000 0.479 133 V N 1.138 121.035 119.914 -0.029 0.000 3.000 133 V HA 0.505 4.624 4.120 -0.001 0.000 0.300 133 V C -0.023 176.044 176.094 -0.044 0.000 1.251 133 V CA -0.219 62.064 62.300 -0.029 0.000 0.972 133 V CB 1.939 33.747 31.823 -0.025 0.000 1.065 133 V HN 0.587 nan 8.190 nan 0.000 0.431 137 V N 0.138 120.162 119.914 0.184 0.000 2.963 137 V HA 0.486 4.605 4.120 -0.001 0.000 0.306 137 V C 0.461 176.588 176.094 0.056 0.000 1.077 137 V CA -0.229 62.119 62.300 0.080 0.000 1.124 137 V CB 0.325 32.131 31.823 -0.029 0.000 0.987 137 V HN 0.476 nan 8.190 nan 0.000 0.487 138 R N 2.504 123.012 120.500 0.014 0.000 2.522 138 R HA 0.188 4.527 4.340 -0.001 0.000 0.284 138 R C 0.705 177.006 176.300 0.001 0.000 1.032 138 R CA 0.069 56.178 56.100 0.015 0.000 1.049 138 R CB 0.474 30.776 30.300 0.003 0.000 0.956 138 R HN 0.754 nan 8.270 nan 0.000 0.422 139 K N 1.248 121.653 120.400 0.008 0.000 2.360 139 K HA 0.068 4.387 4.320 -0.001 0.000 0.196 139 K C 0.471 177.070 176.600 -0.002 0.000 1.049 139 K CA 0.177 56.466 56.287 0.003 0.000 1.049 139 K CB 0.838 33.343 32.500 0.009 0.000 0.881 139 K HN 0.436 nan 8.250 nan 0.000 0.542 140 V N 0.077 119.990 119.914 -0.001 0.000 2.881 140 V HA 0.546 4.665 4.120 -0.001 0.000 0.316 140 V C -2.617 173.470 176.094 -0.012 0.000 1.070 140 V CA -2.269 60.028 62.300 -0.006 0.000 0.976 140 V CB 1.305 33.126 31.823 -0.003 0.000 1.038 140 V HN -0.081 nan 8.190 nan 0.000 0.446 141 P HA 0.683 nan 4.420 nan 0.000 0.279 141 P C 0.607 177.889 177.300 -0.029 0.000 1.276 141 P CA 0.622 63.706 63.100 -0.027 0.000 0.801 141 P CB 1.380 33.062 31.700 -0.030 0.000 1.127 142 G N -1.511 107.264 108.800 -0.042 0.000 2.316 142 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.203 142 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.203 142 G C 0.224 175.094 174.900 -0.051 0.000 0.999 142 G CA -0.051 45.023 45.100 -0.044 0.000 0.649 142 G HN 0.712 nan 8.290 nan 0.000 0.489 143 T N 2.265 116.792 114.554 -0.045 0.000 2.888 143 T HA 0.524 4.873 4.350 -0.001 0.000 0.301 143 T C 0.413 175.045 174.700 -0.113 0.000 1.001 143 T CA 1.178 63.248 62.100 -0.050 0.000 1.147 143 T CB 1.058 69.927 68.868 0.003 0.000 0.931 143 T HN 1.466 nan 8.240 nan 0.000 0.541 144 S N 2.893 118.520 115.700 -0.122 0.000 2.570 144 S HA 0.615 5.085 4.470 -0.001 0.000 0.270 144 S C -1.273 173.245 174.600 -0.137 0.000 1.149 144 S CA -1.152 56.953 58.200 -0.159 0.000 0.837 144 S CB 1.248 64.367 63.200 -0.134 0.000 1.124 144 S HN 0.491 nan 8.310 nan 0.000 0.465 145 L N 2.028 123.180 121.223 -0.118 0.000 2.260 145 L HA 0.690 5.029 4.340 -0.001 0.000 0.289 145 L C -0.536 176.302 176.870 -0.054 0.000 1.057 145 L CA 0.793 55.581 54.840 -0.086 0.000 0.811 145 L CB 0.618 42.648 42.059 -0.050 0.000 1.184 145 L HN 0.928 nan 8.230 nan 0.000 0.429 146 T N 4.011 118.531 114.554 -0.057 0.000 2.876 146 T HA 0.295 4.644 4.350 -0.001 0.000 0.289 146 T C -0.532 174.145 174.700 -0.039 0.000 1.014 146 T CA -0.636 61.438 62.100 -0.043 0.000 0.986 146 T CB 1.265 70.107 68.868 -0.043 0.000 1.021 146 T HN 0.551 nan 8.240 nan 0.000 0.458 147 N N 2.287 120.969 118.700 -0.029 0.000 2.416 147 N HA 0.121 4.860 4.740 -0.001 0.000 0.265 147 N C 1.301 176.798 175.510 -0.021 0.000 1.195 147 N CA 0.318 53.354 53.050 -0.024 0.000 0.943 147 N CB 1.232 39.709 38.487 -0.017 0.000 1.115 147 N HN 0.807 nan 8.380 nan 0.000 0.481 148 Q N 3.907 123.695 119.800 -0.020 0.000 2.084 148 Q HA -0.120 4.219 4.340 -0.001 0.000 0.202 148 Q C 2.122 178.115 176.000 -0.012 0.000 0.978 148 Q CA 2.056 57.850 55.803 -0.015 0.000 0.844 148 Q CB -0.891 27.840 28.738 -0.011 0.000 0.898 148 Q HN 0.847 nan 8.270 nan 0.000 0.426 149 A N 0.877 123.691 122.820 -0.010 0.000 1.877 149 A HA -0.095 4.224 4.320 -0.001 0.000 0.216 149 A C 2.549 180.128 177.584 -0.009 0.000 1.186 149 A CA 2.728 54.761 52.037 -0.007 0.000 0.620 149 A CB -0.595 18.402 19.000 -0.005 0.000 0.822 149 A HN 0.935 nan 8.150 nan 0.000 0.443 150 T N -5.584 108.963 114.554 -0.011 0.000 3.014 150 T HA 0.418 4.767 4.350 -0.001 0.000 0.250 150 T C 1.454 176.144 174.700 -0.016 0.000 1.060 150 T CA 1.094 63.187 62.100 -0.012 0.000 1.040 150 T CB 0.313 69.174 68.868 -0.012 0.000 0.971 150 T HN 1.745 nan 8.240 nan 0.000 0.497 151 G N 1.541 110.330 108.800 -0.019 0.000 2.184 151 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.264 151 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.264 151 G C -0.139 174.744 174.900 -0.027 0.000 0.975 151 G CA 0.327 45.413 45.100 -0.023 0.000 0.642 151 G HN 0.854 nan 8.290 nan 0.000 0.536 152 E N 0.677 120.863 120.200 -0.024 0.000 2.366 152 E HA 0.357 4.706 4.350 -0.001 0.000 0.266 152 E C 0.475 177.059 176.600 -0.027 0.000 1.015 152 E CA -0.424 55.961 56.400 -0.025 0.000 0.906 152 E CB 0.612 30.302 29.700 -0.017 0.000 0.979 152 E HN 0.160 nan 8.360 nan 0.000 0.443 153 V N 7.098 126.990 119.914 -0.038 0.000 2.488 153 V HA 0.032 4.151 4.120 -0.001 0.000 0.277 153 V C 1.234 177.324 176.094 -0.008 0.000 1.046 153 V CA 0.199 62.475 62.300 -0.040 0.000 0.986 153 V CB 0.952 32.732 31.823 -0.072 0.000 0.989 153 V HN 0.745 nan 8.190 nan 0.000 0.475 154 I N 3.800 124.386 120.570 0.027 0.000 2.927 154 I HA 0.161 4.330 4.170 -0.001 0.000 0.268 154 I C 0.138 176.413 176.117 0.263 0.000 1.153 154 I CA 0.764 62.126 61.300 0.103 0.000 1.459 154 I CB 0.316 38.346 38.000 0.049 0.000 1.149 154 I HN 0.640 nan 8.210 nan 0.000 0.443 155 Y N 0.189 120.509 120.300 0.034 0.000 2.424 155 Y HA 0.349 4.898 4.550 -0.001 0.000 0.323 155 Y C -1.323 174.571 175.900 -0.010 0.000 1.174 155 Y CA -1.049 57.106 58.100 0.092 0.000 1.060 155 Y CB 1.578 40.043 38.460 0.009 0.000 1.314 155 Y HN -0.276 nan 8.280 nan 0.000 0.439 156 T N 8.893 123.026 114.554 -0.701 0.000 2.809 156 T HA 0.413 4.762 4.350 -0.001 0.000 0.296 156 T C -2.860 171.311 174.700 -0.882 0.000 1.015 156 T CA -1.411 60.321 62.100 -0.613 0.000 0.954 156 T CB 1.456 70.124 68.868 -0.333 0.000 0.950 156 T HN 0.372 nan 8.240 nan 0.000 0.450 157 P HA 0.309 nan 4.420 nan 0.000 0.274 157 P C -2.815 174.383 177.300 -0.170 0.000 1.256 157 P CA -1.828 61.054 63.100 -0.363 0.000 0.795 157 P CB -0.499 31.135 31.700 -0.110 0.000 1.038 158 P HA 0.125 nan 4.420 nan 0.000 0.266 158 P C -0.672 176.589 177.300 -0.066 0.000 1.193 158 P CA 0.651 63.714 63.100 -0.061 0.000 0.770 158 P CB 0.027 31.681 31.700 -0.076 0.000 0.836 159 A N 1.853 124.644 122.820 -0.049 0.000 2.435 159 A HA 0.836 5.155 4.320 -0.001 0.000 0.304 159 A C -0.135 177.430 177.584 -0.032 0.000 1.064 159 A CA -0.171 51.841 52.037 -0.042 0.000 0.727 159 A CB 1.341 20.316 19.000 -0.041 0.000 1.284 159 A HN 0.819 nan 8.150 nan 0.000 0.415 160 G N 0.845 109.628 108.800 -0.029 0.000 3.363 160 G HA2 0.044 4.003 3.960 -0.001 0.000 0.685 160 G HA3 0.044 4.003 3.960 -0.001 0.000 0.685 160 G C 0.199 175.084 174.900 -0.025 0.000 1.199 160 G CA 0.230 45.317 45.100 -0.021 0.000 0.946 160 G HN 1.077 nan 8.290 nan 0.000 0.558 161 E N 1.135 121.325 120.200 -0.017 0.000 2.049 161 E HA -0.252 4.097 4.350 -0.001 0.000 0.198 161 E C 2.713 179.304 176.600 -0.016 0.000 1.007 161 E CA 2.656 59.047 56.400 -0.016 0.000 0.809 161 E CB -0.080 29.618 29.700 -0.003 0.000 0.749 161 E HN 0.928 nan 8.360 nan 0.000 0.450 162 S N -0.113 115.582 115.700 -0.008 0.000 2.368 162 S HA -0.139 4.331 4.470 -0.001 0.000 0.225 162 S C 2.169 176.763 174.600 -0.010 0.000 1.030 162 S CA 1.311 59.508 58.200 -0.004 0.000 0.999 162 S CB -0.709 62.492 63.200 0.002 0.000 0.844 162 S HN 0.183 nan 8.310 nan 0.000 0.459 163 V N 2.381 122.284 119.914 -0.017 0.000 2.282 163 V HA -0.189 3.930 4.120 -0.001 0.000 0.249 163 V C 2.491 178.558 176.094 -0.044 0.000 1.057 163 V CA 2.169 64.454 62.300 -0.025 0.000 1.032 163 V CB -0.749 31.060 31.823 -0.024 0.000 0.645 163 V HN 0.509 nan 8.190 nan 0.000 0.447 164 I N -0.803 119.730 120.570 -0.061 0.000 2.252 164 I HA -0.199 3.971 4.170 -0.001 0.000 0.245 164 I C 2.740 178.805 176.117 -0.085 0.000 1.102 164 I CA 1.422 62.660 61.300 -0.103 0.000 1.385 164 I CB -0.428 37.493 38.000 -0.131 0.000 1.064 164 I HN 0.203 nan 8.210 nan 0.000 0.414 165 R N 0.625 121.098 120.500 -0.045 0.000 2.096 165 R HA -0.168 4.171 4.340 -0.001 0.000 0.235 165 R C 1.810 178.120 176.300 0.016 0.000 1.127 165 R CA 1.541 57.635 56.100 -0.010 0.000 0.968 165 R CB -0.409 29.897 30.300 0.010 0.000 0.861 165 R HN 0.374 nan 8.270 nan 0.000 0.440 166 D N 0.793 121.199 120.400 0.009 0.000 2.117 166 D HA -0.103 4.536 4.640 -0.001 0.000 0.198 166 D C 2.016 178.335 176.300 0.032 0.000 0.982 166 D CA 0.939 54.954 54.000 0.025 0.000 0.828 166 D CB -0.173 40.637 40.800 0.016 0.000 0.967 166 D HN 0.141 nan 8.370 nan 0.000 0.464 167 L N 0.278 121.501 121.223 0.000 0.000 2.046 167 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 167 L C 2.522 179.427 176.870 0.058 0.000 1.077 167 L CA 0.643 55.484 54.840 0.001 0.000 0.747 167 L CB -0.303 41.717 42.059 -0.066 0.000 0.896 167 L HN 0.045 nan 8.230 nan 0.000 0.432 168 L N -0.557 120.686 121.223 0.033 0.000 2.083 168 L HA -0.220 4.120 4.340 -0.001 0.000 0.209 168 L C 2.894 179.945 176.870 0.301 0.000 1.083 168 L CA 1.561 56.483 54.840 0.136 0.000 0.752 168 L CB -0.630 41.442 42.059 0.022 0.000 0.899 168 L HN 0.428 nan 8.230 nan 0.000 0.433 169 S N -0.409 115.404 115.700 0.188 0.000 2.368 169 S HA -0.258 4.212 4.470 -0.001 0.000 0.225 169 S C 1.826 176.535 174.600 0.182 0.000 1.030 169 S CA 1.551 59.858 58.200 0.178 0.000 0.999 169 S CB -0.758 62.511 63.200 0.114 0.000 0.844 169 S HN 0.543 nan 8.310 nan 0.000 0.459 170 N N 0.213 119.013 118.700 0.166 0.000 2.120 170 N HA -0.188 4.552 4.740 -0.001 0.000 0.188 170 N C 1.669 177.304 175.510 0.208 0.000 1.024 170 N CA 1.577 54.719 53.050 0.153 0.000 0.852 170 N CB -0.476 38.077 38.487 0.110 0.000 1.003 170 N HN 0.725 nan 8.380 nan 0.000 0.424 171 W N 2.218 123.560 121.300 0.070 0.000 2.335 171 W HA -0.158 4.501 4.660 -0.002 0.000 0.311 171 W C 2.352 178.950 176.519 0.132 0.000 1.213 171 W CA 1.993 59.395 57.345 0.093 0.000 1.274 171 W CB -0.504 29.014 29.460 0.097 0.000 1.148 171 W HN 0.164 nan 8.180 nan 0.000 0.498 172 E N 0.130 120.363 120.200 0.054 0.000 2.051 172 E HA -0.228 4.121 4.350 -0.001 0.000 0.192 172 E C 2.281 178.826 176.600 -0.091 0.000 0.991 172 E CA 1.649 57.936 56.400 -0.189 0.000 0.799 172 E CB -0.487 29.302 29.700 0.148 0.000 0.748 172 E HN 0.282 nan 8.360 nan 0.000 0.449 173 A N 0.638 123.488 122.820 0.050 0.000 1.908 173 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 173 A C 2.011 179.619 177.584 0.041 0.000 1.181 173 A CA 1.388 53.469 52.037 0.073 0.000 0.627 173 A CB -0.953 18.105 19.000 0.097 0.000 0.818 173 A HN 0.520 nan 8.150 nan 0.000 0.445 174 F N 0.780 120.654 119.950 -0.125 0.000 2.095 174 F HA -0.190 4.336 4.527 -0.001 0.000 0.298 174 F C 1.951 177.599 175.800 -0.253 0.000 1.104 174 F CA 1.833 59.742 58.000 -0.153 0.000 1.232 174 F CB -0.304 38.613 39.000 -0.139 0.000 0.987 174 F HN 0.156 nan 8.300 nan 0.000 0.475 175 L N -0.805 120.160 121.223 -0.429 0.000 2.042 175 L HA -0.264 4.075 4.340 -0.001 0.000 0.210 175 L C 2.011 178.609 176.870 -0.453 0.000 1.076 175 L CA 1.436 55.863 54.840 -0.688 0.000 0.749 175 L CB -0.942 40.496 42.059 -1.035 0.000 0.893 175 L HN 0.258 nan 8.230 nan 0.000 0.432 176 H N -1.383 117.617 119.070 -0.116 0.000 2.551 176 H HA 0.129 4.684 4.556 -0.001 0.000 0.271 176 H C 0.315 175.599 175.328 -0.073 0.000 0.984 176 H CA -0.421 55.593 56.048 -0.055 0.000 1.164 176 H CB -0.288 29.451 29.762 -0.038 0.000 1.437 176 H HN 0.252 nan 8.280 nan 0.000 0.550 177 N N 2.075 120.741 118.700 -0.057 0.000 2.356 177 N HA -0.105 4.634 4.740 -0.001 0.000 0.252 177 N C -0.117 175.356 175.510 -0.062 0.000 1.241 177 N CA 0.290 53.299 53.050 -0.068 0.000 0.861 177 N CB 0.574 38.977 38.487 -0.140 0.000 1.075 177 N HN 0.204 nan 8.380 nan 0.000 0.461 178 Q N 2.188 121.970 119.800 -0.030 0.000 2.402 178 Q HA 0.171 4.511 4.340 -0.001 0.000 0.238 178 Q C -0.990 174.987 176.000 -0.038 0.000 1.126 178 Q CA -0.138 55.649 55.803 -0.027 0.000 0.904 178 Q CB 0.017 28.748 28.738 -0.011 0.000 1.357 178 Q HN 0.705 nan 8.270 nan 0.000 0.491 179 D N -0.953 119.414 120.400 -0.055 0.000 2.643 179 D HA 0.123 4.763 4.640 -0.001 0.000 0.283 179 D C -0.577 175.693 176.300 -0.050 0.000 1.242 179 D CA -0.677 53.290 54.000 -0.054 0.000 0.863 179 D CB 0.757 41.511 40.800 -0.076 0.000 1.382 179 D HN 0.038 nan 8.370 nan 0.000 0.444 180 D N -0.536 119.840 120.400 -0.040 0.000 2.402 180 D HA 0.169 4.809 4.640 -0.001 0.000 0.216 180 D C -0.491 175.791 176.300 -0.031 0.000 1.128 180 D CA -0.037 53.944 54.000 -0.032 0.000 0.833 180 D CB 0.497 41.284 40.800 -0.022 0.000 0.971 180 D HN 0.251 nan 8.370 nan 0.000 0.503 181 V N 1.106 120.997 119.914 -0.038 0.000 2.649 181 V HA 0.074 4.194 4.120 -0.001 0.000 0.292 181 V C 0.523 176.606 176.094 -0.019 0.000 1.055 181 V CA -0.792 61.494 62.300 -0.023 0.000 1.023 181 V CB 1.310 33.122 31.823 -0.018 0.000 0.992 181 V HN 0.130 nan 8.190 nan 0.000 0.480 182 D N 5.420 125.817 120.400 -0.005 0.000 2.525 182 D HA 0.031 4.670 4.640 -0.001 0.000 0.235 182 D C -1.556 174.751 176.300 0.011 0.000 1.137 182 D CA -0.654 53.343 54.000 -0.005 0.000 0.868 182 D CB 1.203 42.003 40.800 0.001 0.000 1.180 182 D HN 0.300 nan 8.370 nan 0.000 0.465 183 P HA -0.124 nan 4.420 nan 0.000 0.219 183 P C 1.240 178.592 177.300 0.086 0.000 1.146 183 P CA 0.915 64.018 63.100 0.005 0.000 0.808 183 P CB 0.135 31.747 31.700 -0.146 0.000 0.779 184 L N -1.571 119.680 121.223 0.046 0.000 2.141 184 L HA -0.121 4.218 4.340 -0.001 0.000 0.209 184 L C 2.364 179.302 176.870 0.113 0.000 1.094 184 L CA 1.196 56.077 54.840 0.067 0.000 0.763 184 L CB -0.733 41.332 42.059 0.011 0.000 0.908 184 L HN -0.045 nan 8.230 nan 0.000 0.437 185 I N -0.471 120.163 120.570 0.106 0.000 2.202 185 I HA -0.208 3.962 4.170 -0.001 0.000 0.242 185 I C 1.501 177.762 176.117 0.241 0.000 1.091 185 I CA 0.969 62.352 61.300 0.139 0.000 1.368 185 I CB -0.216 37.845 38.000 0.100 0.000 1.058 185 I HN 0.184 nan 8.210 nan 0.000 0.410 191 H N -0.662 118.708 119.070 0.500 0.000 2.326 191 H HA -0.099 4.456 4.556 -0.001 0.000 0.301 191 H C 1.771 177.326 175.328 0.377 0.000 1.081 191 H CA 2.739 59.081 56.048 0.489 0.000 1.334 191 H CB -0.460 29.657 29.762 0.592 0.000 1.385 191 H HN 0.602 nan 8.280 nan 0.000 0.504 192 Y N 1.017 121.448 120.300 0.218 0.000 2.081 192 Y HA -0.294 4.255 4.550 -0.002 0.000 0.280 192 Y C 2.651 178.433 175.900 -0.197 0.000 1.163 192 Y CA 2.425 60.336 58.100 -0.316 0.000 1.135 192 Y CB -0.649 37.486 38.460 -0.541 0.000 0.970 192 Y HN 0.293 nan 8.280 nan 0.000 0.498 193 Q N -0.187 119.487 119.800 -0.210 0.000 2.096 193 Q HA -0.226 4.114 4.340 -0.001 0.000 0.204 193 Q C 2.161 177.995 176.000 -0.276 0.000 0.982 193 Q CA 2.303 57.950 55.803 -0.261 0.000 0.850 193 Q CB -0.873 27.944 28.738 0.133 0.000 0.901 193 Q HN 0.622 nan 8.270 nan 0.000 0.422 194 F N 0.652 120.453 119.950 -0.248 0.000 2.134 194 F HA -0.174 4.352 4.527 -0.001 0.000 0.299 194 F C 2.015 177.609 175.800 -0.343 0.000 1.097 194 F CA 1.564 59.346 58.000 -0.364 0.000 1.264 194 F CB 0.056 38.860 39.000 -0.327 0.000 1.001 194 F HN 0.127 nan 8.300 nan 0.000 0.479 195 E N 0.245 120.305 120.200 -0.233 0.000 2.072 195 E HA -0.186 4.163 4.350 -0.001 0.000 0.191 195 E C 2.379 178.751 176.600 -0.380 0.000 0.985 195 E CA 1.097 57.326 56.400 -0.285 0.000 0.801 195 E CB -0.584 28.877 29.700 -0.397 0.000 0.750 195 E HN 0.478 nan 8.360 nan 0.000 0.452 196 A N 1.014 123.459 122.820 -0.625 0.000 1.930 196 A HA -0.124 4.195 4.320 -0.001 0.000 0.217 196 A C 2.248 179.731 177.584 -0.168 0.000 1.175 196 A CA 0.901 52.635 52.037 -0.505 0.000 0.627 196 A CB -0.506 18.004 19.000 -0.816 0.000 0.815 196 A HN 0.148 nan 8.150 nan 0.000 0.443 197 I N -2.418 117.965 120.570 -0.312 0.000 2.286 197 I HA -0.161 4.008 4.170 -0.001 0.000 0.245 197 I C 1.183 177.155 176.117 -0.241 0.000 1.104 197 I CA 1.168 62.290 61.300 -0.296 0.000 1.397 197 I CB -0.364 37.366 38.000 -0.450 0.000 1.072 197 I HN 0.634 nan 8.210 nan 0.000 0.417 198 H N 0.382 119.163 119.070 -0.482 0.000 2.672 198 H HA -0.101 4.454 4.556 -0.001 0.000 0.325 198 H C -1.825 173.236 175.328 -0.445 0.000 1.158 198 H CA -0.075 55.744 56.048 -0.381 0.000 1.134 198 H CB -0.647 29.017 29.762 -0.163 0.000 1.553 198 H HN 0.222 nan 8.280 nan 0.000 0.419 199 P HA -0.106 nan 4.420 nan 0.000 0.222 199 P C 0.083 177.000 177.300 -0.638 0.000 1.147 199 P CA 1.164 63.774 63.100 -0.816 0.000 0.790 199 P CB 0.177 31.149 31.700 -1.214 0.000 0.780 200 F N -1.451 118.311 119.950 -0.313 0.000 2.509 200 F HA 0.302 4.829 4.527 -0.001 0.000 0.334 200 F C 1.805 177.484 175.800 -0.203 0.000 1.060 200 F CA -1.230 56.649 58.000 -0.203 0.000 0.997 200 F CB -0.259 38.648 39.000 -0.155 0.000 1.271 200 F HN -0.380 nan 8.300 nan 0.000 0.488 201 I N 0.241 120.885 120.570 0.123 0.000 2.761 201 I HA 0.010 4.179 4.170 -0.001 0.000 0.261 201 I C -0.073 176.089 176.117 0.076 0.000 1.198 201 I CA 1.418 62.767 61.300 0.081 0.000 1.482 201 I CB -0.669 37.371 38.000 0.067 0.000 1.100 201 I HN 0.608 nan 8.210 nan 0.000 0.445 202 D N -2.295 118.142 120.400 0.063 0.000 2.653 202 D HA 0.472 5.111 4.640 -0.001 0.000 0.258 202 D C 0.306 176.644 176.300 0.062 0.000 1.252 202 D CA 0.314 54.350 54.000 0.060 0.000 0.777 202 D CB 1.083 41.915 40.800 0.052 0.000 1.339 202 D HN 0.009 nan 8.370 nan 0.000 0.422 203 G N 1.077 109.931 108.800 0.090 0.000 2.157 203 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.248 203 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.248 203 G C 0.914 175.946 174.900 0.220 0.000 0.979 203 G CA 0.545 45.715 45.100 0.117 0.000 0.650 203 G HN 0.482 nan 8.290 nan 0.000 0.529 204 N N 0.718 119.541 118.700 0.205 0.000 2.142 204 N HA -0.100 4.639 4.740 -0.001 0.000 0.186 204 N C 2.406 178.136 175.510 0.366 0.000 1.023 204 N CA 1.705 54.917 53.050 0.270 0.000 0.852 204 N CB -0.479 37.952 38.487 -0.094 0.000 0.998 204 N HN 0.530 nan 8.380 nan 0.000 0.424 205 G N 1.560 110.552 108.800 0.321 0.000 2.404 205 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.215 205 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.215 205 G C 1.758 176.901 174.900 0.406 0.000 1.174 205 G CA 0.350 45.684 45.100 0.390 0.000 0.780 205 G HN 0.266 nan 8.290 nan 0.000 0.537 206 R N -0.281 120.436 120.500 0.361 0.000 2.081 206 R HA -0.027 4.312 4.340 -0.001 0.000 0.235 206 R C 2.889 179.376 176.300 0.312 0.000 1.131 206 R CA 1.694 58.060 56.100 0.443 0.000 0.960 206 R CB -0.654 29.924 30.300 0.462 0.000 0.856 206 R HN 0.274 nan 8.270 nan 0.000 0.436 207 T N -0.133 114.560 114.554 0.232 0.000 2.684 207 T HA -0.131 4.218 4.350 -0.001 0.000 0.267 207 T C 1.898 176.598 174.700 0.000 0.000 1.036 207 T CA 1.527 63.696 62.100 0.115 0.000 1.148 207 T CB -0.569 68.448 68.868 0.248 0.000 0.863 207 T HN 0.547 nan 8.240 nan 0.000 0.436 208 G N 1.260 110.104 108.800 0.074 0.000 2.442 208 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.219 208 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.219 208 G C 1.716 176.735 174.900 0.198 0.000 1.141 208 G CA 0.412 45.524 45.100 0.019 0.000 0.763 208 G HN 0.421 nan 8.290 nan 0.000 0.554 209 R N -0.403 120.270 120.500 0.288 0.000 2.148 209 R HA 0.067 4.406 4.340 -0.001 0.000 0.223 209 R C 2.614 179.015 176.300 0.169 0.000 1.088 209 R CA 0.666 56.896 56.100 0.217 0.000 0.985 209 R CB -0.230 30.255 30.300 0.309 0.000 0.880 209 R HN 0.315 nan 8.270 nan 0.000 0.451 210 V N 1.399 121.372 119.914 0.100 0.000 2.307 210 V HA -0.219 3.900 4.120 -0.001 0.000 0.245 210 V C 2.250 178.366 176.094 0.037 0.000 1.045 210 V CA 1.561 63.851 62.300 -0.017 0.000 1.024 210 V CB -0.367 31.328 31.823 -0.213 0.000 0.651 210 V HN 0.268 nan 8.190 nan 0.000 0.449 211 L N 0.290 121.530 121.223 0.029 0.000 2.079 211 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 211 L C 2.510 179.475 176.870 0.158 0.000 1.081 211 L CA 1.445 56.340 54.840 0.092 0.000 0.752 211 L CB -0.784 41.292 42.059 0.029 0.000 0.896 211 L HN 0.390 nan 8.230 nan 0.000 0.433 212 N N 0.148 118.924 118.700 0.127 0.000 2.061 212 N HA -0.200 4.539 4.740 -0.001 0.000 0.193 212 N C 1.759 177.361 175.510 0.153 0.000 1.030 212 N CA 1.449 54.585 53.050 0.142 0.000 0.856 212 N CB -0.249 38.251 38.487 0.022 0.000 1.023 212 N HN 0.205 nan 8.380 nan 0.000 0.424 213 I N 1.142 121.777 120.570 0.107 0.000 2.252 213 I HA -0.138 4.031 4.170 -0.001 0.000 0.245 213 I C 2.231 178.403 176.117 0.091 0.000 1.102 213 I CA 0.688 62.037 61.300 0.081 0.000 1.385 213 I CB -1.155 36.887 38.000 0.069 0.000 1.064 213 I HN 0.106 nan 8.210 nan 0.000 0.414 214 L N -0.689 120.609 121.223 0.124 0.000 2.083 214 L HA -0.265 4.075 4.340 -0.001 0.000 0.209 214 L C 2.706 179.684 176.870 0.180 0.000 1.083 214 L CA 1.358 56.289 54.840 0.151 0.000 0.752 214 L CB -0.870 41.285 42.059 0.161 0.000 0.899 214 L HN 0.175 nan 8.230 nan 0.000 0.433 215 Y N 0.932 121.266 120.300 0.056 0.000 2.200 215 Y HA -0.192 4.357 4.550 -0.001 0.000 0.290 215 Y C 2.355 178.267 175.900 0.020 0.000 1.137 215 Y CA 1.210 59.324 58.100 0.024 0.000 1.163 215 Y CB -0.317 38.156 38.460 0.021 0.000 0.988 215 Y HN -0.012 nan 8.280 nan 0.000 0.518 216 L N -0.505 120.705 121.223 -0.022 0.000 2.081 216 L HA -0.286 4.053 4.340 -0.001 0.000 0.212 216 L C 2.391 179.200 176.870 -0.101 0.000 1.080 216 L CA 1.684 56.455 54.840 -0.115 0.000 0.754 216 L CB -0.685 41.355 42.059 -0.032 0.000 0.893 216 L HN 0.254 nan 8.230 nan 0.000 0.433 217 I N -0.104 120.453 120.570 -0.023 0.000 2.202 217 I HA -0.295 3.874 4.170 -0.001 0.000 0.242 217 I C 2.244 178.367 176.117 0.010 0.000 1.091 217 I CA 1.614 62.928 61.300 0.024 0.000 1.368 217 I CB -0.384 37.682 38.000 0.110 0.000 1.058 217 I HN 0.283 nan 8.210 nan 0.000 0.410 218 D N 0.545 120.949 120.400 0.006 0.000 2.133 218 D HA -0.245 4.394 4.640 -0.001 0.000 0.195 218 D C 1.986 178.235 176.300 -0.086 0.000 0.997 218 D CA 1.301 55.305 54.000 0.006 0.000 0.840 218 D CB 0.131 40.975 40.800 0.074 0.000 0.947 218 D HN 0.210 nan 8.370 nan 0.000 0.452 219 Q N -0.357 119.299 119.800 -0.240 0.000 2.365 219 Q HA 0.026 4.366 4.340 -0.001 0.000 0.203 219 Q C 0.271 176.184 176.000 -0.145 0.000 0.929 219 Q CA 0.260 55.905 55.803 -0.263 0.000 0.948 219 Q CB 0.412 28.858 28.738 -0.487 0.000 1.043 219 Q HN 0.540 nan 8.270 nan 0.000 0.505 220 Q N -0.549 119.197 119.800 -0.090 0.000 2.494 220 Q HA -0.199 4.141 4.340 -0.001 0.000 0.266 220 Q C 0.631 176.600 176.000 -0.051 0.000 1.053 220 Q CA 0.453 56.228 55.803 -0.047 0.000 1.029 220 Q CB -1.877 26.842 28.738 -0.032 0.000 1.423 220 Q HN 0.367 nan 8.270 nan 0.000 0.516 221 L N -0.598 120.581 121.223 -0.073 0.000 2.477 221 L HA 0.223 4.562 4.340 -0.001 0.000 0.220 221 L C 0.759 177.605 176.870 -0.041 0.000 1.106 221 L CA 0.647 55.451 54.840 -0.060 0.000 0.851 221 L CB 0.264 42.276 42.059 -0.078 0.000 0.994 221 L HN 0.165 nan 8.230 nan 0.000 0.462 222 L N -1.582 119.619 121.223 -0.036 0.000 2.371 222 L HA 0.268 4.607 4.340 -0.001 0.000 0.262 222 L C 0.661 177.527 176.870 -0.008 0.000 1.006 222 L CA -0.196 54.628 54.840 -0.027 0.000 0.818 222 L CB 2.269 44.304 42.059 -0.041 0.000 1.354 222 L HN -0.142 nan 8.230 nan 0.000 0.415 223 S N -0.453 115.246 115.700 -0.001 0.000 2.540 223 S HA 0.567 5.037 4.470 -0.001 0.000 0.222 223 S C 0.165 174.778 174.600 0.022 0.000 1.008 223 S CA 0.074 58.307 58.200 0.054 0.000 0.939 223 S CB 0.806 64.047 63.200 0.067 0.000 0.865 223 S HN 0.631 nan 8.310 nan 0.000 0.499 224 A N 2.028 124.751 122.820 -0.163 0.000 2.572 224 A HA 0.747 5.066 4.320 -0.001 0.000 0.295 224 A C -3.139 174.191 177.584 -0.423 0.000 1.072 224 A CA -1.734 50.017 52.037 -0.476 0.000 0.691 224 A CB 1.014 19.899 19.000 -0.192 0.000 1.291 224 A HN 0.074 nan 8.150 nan 0.000 0.404 225 P HA 0.215 nan 4.420 nan 0.000 0.225 225 P C 0.204 177.452 177.300 -0.087 0.000 1.813 225 P CA 0.237 63.186 63.100 -0.252 0.000 1.013 225 P CB -0.641 30.918 31.700 -0.234 0.000 1.961 226 I N -1.820 118.719 120.570 -0.051 0.000 4.154 226 I HA 0.276 4.445 4.170 -0.001 0.000 0.334 226 I C 0.129 176.292 176.117 0.076 0.000 1.371 226 I CA -0.538 60.771 61.300 0.016 0.000 1.110 226 I CB 0.295 38.301 38.000 0.011 0.000 1.085 226 I HN -0.095 nan 8.210 nan 0.000 0.398 227 L N 1.807 123.075 121.223 0.074 0.000 2.313 227 L HA 0.260 4.599 4.340 -0.001 0.000 0.282 227 L C -0.297 176.685 176.870 0.187 0.000 1.092 227 L CA -0.351 54.559 54.840 0.116 0.000 0.831 227 L CB 0.374 42.470 42.059 0.061 0.000 1.159 227 L HN 0.196 nan 8.230 nan 0.000 0.442 228 Y N 5.731 126.067 120.300 0.059 0.000 2.851 228 Y HA 0.115 4.664 4.550 -0.001 0.000 0.369 228 Y C 0.832 176.695 175.900 -0.061 0.000 1.226 228 Y CA -0.316 57.781 58.100 -0.005 0.000 1.949 228 Y CB -0.044 38.398 38.460 -0.029 0.000 2.059 228 Y HN 0.763 nan 8.280 nan 0.000 0.420 229 L N 1.127 122.398 121.223 0.079 0.000 2.083 229 L HA -0.139 4.200 4.340 -0.001 0.000 0.209 229 L C 2.076 178.882 176.870 -0.106 0.000 1.083 229 L CA 1.816 56.633 54.840 -0.040 0.000 0.752 229 L CB -0.710 41.347 42.059 -0.003 0.000 0.899 229 L HN 0.353 nan 8.230 nan 0.000 0.433 230 S N -0.758 114.908 115.700 -0.056 0.000 2.474 230 S HA -0.145 4.324 4.470 -0.001 0.000 0.235 230 S C 1.957 176.381 174.600 -0.295 0.000 0.997 230 S CA 0.761 58.894 58.200 -0.113 0.000 0.949 230 S CB -0.415 62.776 63.200 -0.014 0.000 0.766 230 S HN 0.447 nan 8.310 nan 0.000 0.517 231 R N 0.134 120.221 120.500 -0.687 0.000 2.096 231 R HA -0.201 4.138 4.340 -0.001 0.000 0.240 231 R C 2.124 178.153 176.300 -0.452 0.000 1.139 231 R CA 1.724 57.273 56.100 -0.919 0.000 0.952 231 R CB -0.409 28.936 30.300 -1.593 0.000 0.854 231 R HN 0.522 nan 8.270 nan 0.000 0.436 232 Y N 0.554 120.603 120.300 -0.419 0.000 2.263 232 Y HA -0.114 4.435 4.550 -0.001 0.000 0.292 232 Y C 1.996 177.819 175.900 -0.128 0.000 1.130 232 Y CA 1.170 59.134 58.100 -0.226 0.000 1.179 232 Y CB 0.089 38.408 38.460 -0.235 0.000 0.998 232 Y HN 0.031 nan 8.280 nan 0.000 0.532 233 I N -0.873 119.677 120.570 -0.035 0.000 2.179 233 I HA -0.249 3.920 4.170 -0.001 0.000 0.242 233 I C 2.374 178.360 176.117 -0.218 0.000 1.088 233 I CA 1.099 62.315 61.300 -0.139 0.000 1.357 233 I CB -1.506 36.256 38.000 -0.397 0.000 1.051 233 I HN 0.127 nan 8.210 nan 0.000 0.409 234 V N 1.593 121.368 119.914 -0.232 0.000 2.287 234 V HA -0.285 3.835 4.120 -0.001 0.000 0.248 234 V C 2.816 178.757 176.094 -0.255 0.000 1.053 234 V CA 2.030 64.204 62.300 -0.211 0.000 1.027 234 V CB -1.112 30.595 31.823 -0.193 0.000 0.646 234 V HN 0.486 nan 8.190 nan 0.000 0.447 235 A N -1.552 121.040 122.820 -0.380 0.000 2.067 235 A HA -0.159 4.161 4.320 -0.001 0.000 0.219 235 A C 1.504 178.618 177.584 -0.783 0.000 1.158 235 A CA 1.335 53.021 52.037 -0.585 0.000 0.661 235 A CB -0.398 18.157 19.000 -0.743 0.000 0.801 235 A HN 0.745 nan 8.150 nan 0.000 0.452 236 H N -1.732 117.194 119.070 -0.239 0.000 2.587 236 H HA 0.205 4.760 4.556 -0.001 0.000 0.245 236 H C 0.995 176.329 175.328 0.010 0.000 1.238 236 H CA 0.020 56.006 56.048 -0.105 0.000 0.963 236 H CB 0.243 29.924 29.762 -0.135 0.000 1.904 236 H HN 0.551 nan 8.280 nan 0.000 0.584 237 K N 0.783 121.175 120.400 -0.013 0.000 2.057 237 K HA -0.141 4.179 4.320 -0.001 0.000 0.207 237 K C 1.655 178.235 176.600 -0.032 0.000 1.049 237 K CA 1.232 57.471 56.287 -0.080 0.000 0.931 237 K CB 0.489 32.938 32.500 -0.084 0.000 0.714 237 K HN 0.105 nan 8.250 nan 0.000 0.440 238 Q N 0.840 120.680 119.800 0.066 0.000 2.119 238 Q HA -0.144 4.195 4.340 -0.001 0.000 0.201 238 Q C 1.671 177.726 176.000 0.093 0.000 0.972 238 Q CA 1.270 57.146 55.803 0.122 0.000 0.847 238 Q CB -0.216 28.583 28.738 0.101 0.000 0.903 238 Q HN 0.426 nan 8.270 nan 0.000 0.433 239 D N -0.212 120.237 120.400 0.082 0.000 2.117 239 D HA -0.157 4.483 4.640 -0.001 0.000 0.197 239 D C 1.813 178.017 176.300 -0.160 0.000 0.987 239 D CA 0.818 54.825 54.000 0.011 0.000 0.829 239 D CB -0.339 40.528 40.800 0.112 0.000 0.961 239 D HN 0.247 nan 8.370 nan 0.000 0.460 240 Y N 0.965 121.058 120.300 -0.344 0.000 2.081 240 Y HA -0.356 4.193 4.550 -0.001 0.000 0.280 240 Y C 2.133 177.950 175.900 -0.139 0.000 1.163 240 Y CA 1.719 59.593 58.100 -0.377 0.000 1.135 240 Y CB -0.661 37.684 38.460 -0.191 0.000 0.970 240 Y HN -0.031 nan 8.280 nan 0.000 0.498 241 Y N 0.128 120.415 120.300 -0.021 0.000 2.242 241 Y HA -0.150 4.399 4.550 -0.001 0.000 0.291 241 Y C 2.830 178.600 175.900 -0.216 0.000 1.137 241 Y CA 1.550 59.546 58.100 -0.173 0.000 1.181 241 Y CB -0.996 37.442 38.460 -0.037 0.000 0.989 241 Y HN 0.133 nan 8.280 nan 0.000 0.527 242 R N 0.380 120.885 120.500 0.008 0.000 2.073 242 R HA -0.142 4.197 4.340 -0.001 0.000 0.234 242 R C 2.006 178.218 176.300 -0.146 0.000 1.134 242 R CA 1.482 57.544 56.100 -0.064 0.000 0.952 242 R CB -0.494 29.788 30.300 -0.031 0.000 0.850 242 R HN 0.332 nan 8.270 nan 0.000 0.433 243 L N 0.564 121.697 121.223 -0.149 0.000 2.093 243 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 243 L C 2.459 179.141 176.870 -0.314 0.000 1.085 243 L CA 0.893 55.655 54.840 -0.130 0.000 0.755 243 L CB -0.345 41.721 42.059 0.012 0.000 0.904 243 L HN 0.268 nan 8.230 nan 0.000 0.435 244 L N -0.641 120.286 121.223 -0.494 0.000 2.012 244 L HA -0.258 4.081 4.340 -0.001 0.000 0.210 244 L C 2.563 179.085 176.870 -0.579 0.000 1.073 244 L CA 1.024 55.392 54.840 -0.787 0.000 0.748 244 L CB -0.408 41.190 42.059 -0.768 0.000 0.891 244 L HN 0.247 nan 8.230 nan 0.000 0.431 245 L N 0.083 121.033 121.223 -0.455 0.000 2.046 245 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 245 L C 2.155 178.724 176.870 -0.501 0.000 1.077 245 L CA 1.752 56.310 54.840 -0.471 0.000 0.747 245 L CB -0.768 41.093 42.059 -0.330 0.000 0.896 245 L HN 0.253 nan 8.230 nan 0.000 0.432 246 N N -0.722 117.733 118.700 -0.409 0.000 2.364 246 N HA -0.129 4.611 4.740 -0.001 0.000 0.183 246 N C 1.861 177.070 175.510 -0.501 0.000 1.022 246 N CA 1.401 54.224 53.050 -0.378 0.000 0.883 246 N CB -0.409 37.931 38.487 -0.245 0.000 0.965 246 N HN 0.290 nan 8.380 nan 0.000 0.438 247 V N 0.627 120.117 119.914 -0.707 0.000 2.343 247 V HA -0.202 3.917 4.120 -0.001 0.000 0.247 247 V C 2.161 177.704 176.094 -0.919 0.000 1.051 247 V CA 1.797 63.441 62.300 -1.094 0.000 1.036 247 V CB -0.892 29.766 31.823 -1.942 0.000 0.654 247 V HN 0.328 nan 8.190 nan 0.000 0.451 248 T N 0.166 114.275 114.554 -0.741 0.000 2.737 248 T HA -0.159 4.190 4.350 -0.001 0.000 0.265 248 T C 1.991 176.232 174.700 -0.765 0.000 1.038 248 T CA 2.151 63.857 62.100 -0.656 0.000 1.144 248 T CB -0.402 67.984 68.868 -0.804 0.000 0.866 248 T HN 0.753 nan 8.240 nan 0.000 0.434 249 T N -0.565 113.506 114.554 -0.804 0.000 3.043 249 T HA 0.069 4.418 4.350 -0.001 0.000 0.263 249 T C 1.545 176.054 174.700 -0.318 0.000 1.094 249 T CA 0.503 62.180 62.100 -0.706 0.000 1.127 249 T CB 0.094 68.593 68.868 -0.615 0.000 0.905 249 T HN 0.168 nan 8.240 nan 0.000 0.490 250 Q N 0.039 119.660 119.800 -0.297 0.000 2.113 250 Q HA 0.239 4.578 4.340 -0.001 0.000 0.225 250 Q C 0.061 175.969 176.000 -0.153 0.000 0.786 250 Q CA -0.001 55.700 55.803 -0.169 0.000 0.989 250 Q CB 0.599 29.252 28.738 -0.141 0.000 1.174 250 Q HN 0.706 nan 8.270 nan 0.000 0.470 251 Q N 0.438 120.089 119.800 -0.248 0.000 2.494 251 Q HA -0.194 4.145 4.340 -0.001 0.000 0.272 251 Q C -0.747 175.160 176.000 -0.156 0.000 1.145 251 Q CA 0.712 56.391 55.803 -0.207 0.000 0.943 251 Q CB -1.676 27.076 28.738 0.023 0.000 1.338 251 Q HN 0.405 nan 8.270 nan 0.000 0.492 252 E N -0.387 119.652 120.200 -0.268 0.000 2.110 252 E HA 0.004 4.353 4.350 -0.001 0.000 0.300 252 E C 0.209 176.737 176.600 -0.120 0.000 1.278 252 E CA -0.296 56.027 56.400 -0.128 0.000 1.365 252 E CB -0.075 29.555 29.700 -0.116 0.000 1.283 252 E HN 0.326 nan 8.360 nan 0.000 0.490 253 W N 0.840 122.103 121.300 -0.062 0.000 2.358 253 W HA -0.201 4.458 4.660 -0.002 0.000 0.303 253 W C 2.475 179.054 176.519 0.099 0.000 1.208 253 W CA 0.899 58.245 57.345 0.002 0.000 1.274 253 W CB -0.052 29.403 29.460 -0.009 0.000 1.138 253 W HN 0.441 nan 8.180 nan 0.000 0.515 254 Q N 0.595 120.568 119.800 0.287 0.000 2.030 254 Q HA -0.215 4.124 4.340 -0.001 0.000 0.204 254 Q C -0.379 175.719 176.000 0.164 0.000 0.986 254 Q CA 2.474 58.394 55.803 0.195 0.000 0.843 254 Q CB -1.345 27.471 28.738 0.131 0.000 0.904 254 Q HN 0.055 nan 8.270 nan 0.000 0.420 255 P HA -0.213 nan 4.420 nan 0.000 0.218 255 P C 0.947 178.366 177.300 0.199 0.000 1.148 255 P CA 1.299 64.482 63.100 0.138 0.000 0.822 255 P CB -0.713 31.045 31.700 0.097 0.000 0.784 256 W N 1.341 122.663 121.300 0.037 0.000 2.354 256 W HA -0.153 4.506 4.660 -0.001 0.000 0.315 256 W C 1.867 178.504 176.519 0.197 0.000 1.206 256 W CA 0.932 58.311 57.345 0.057 0.000 1.290 256 W CB -0.880 28.533 29.460 -0.078 0.000 1.152 256 W HN -0.185 nan 8.180 nan 0.000 0.489 257 I N 1.068 121.641 120.570 0.005 0.000 2.163 257 I HA -0.383 3.786 4.170 -0.001 0.000 0.243 257 I C 2.575 178.640 176.117 -0.085 0.000 1.085 257 I CA 1.864 63.123 61.300 -0.068 0.000 1.347 257 I CB -0.768 37.313 38.000 0.135 0.000 1.044 257 I HN -0.075 nan 8.210 nan 0.000 0.408 258 I N -0.012 120.560 120.570 0.002 0.000 2.208 258 I HA -0.331 3.838 4.170 -0.001 0.000 0.245 258 I C 2.550 178.644 176.117 -0.039 0.000 1.097 258 I CA 1.565 62.859 61.300 -0.009 0.000 1.363 258 I CB -0.421 37.598 38.000 0.031 0.000 1.051 258 I HN 0.180 nan 8.210 nan 0.000 0.413 259 F N 1.692 121.553 119.950 -0.149 0.000 2.095 259 F HA -0.281 4.245 4.527 -0.001 0.000 0.298 259 F C 2.355 177.991 175.800 -0.273 0.000 1.104 259 F CA 1.751 59.666 58.000 -0.141 0.000 1.232 259 F CB -0.092 38.869 39.000 -0.065 0.000 0.987 259 F HN -0.106 nan 8.300 nan 0.000 0.475 260 I N 0.392 120.834 120.570 -0.214 0.000 2.252 260 I HA -0.267 3.902 4.170 -0.001 0.000 0.245 260 I C 2.483 178.424 176.117 -0.293 0.000 1.102 260 I CA 1.286 62.412 61.300 -0.289 0.000 1.385 260 I CB -1.428 36.373 38.000 -0.333 0.000 1.064 260 I HN 0.272 nan 8.210 nan 0.000 0.414 261 L N 0.549 121.637 121.223 -0.226 0.000 2.012 261 L HA -0.255 4.084 4.340 -0.001 0.000 0.210 261 L C 2.319 179.024 176.870 -0.275 0.000 1.073 261 L CA 1.373 56.099 54.840 -0.190 0.000 0.748 261 L CB -0.775 41.214 42.059 -0.117 0.000 0.891 261 L HN 0.279 nan 8.230 nan 0.000 0.431 262 N N 0.296 118.783 118.700 -0.356 0.000 2.120 262 N HA -0.161 4.579 4.740 -0.001 0.000 0.188 262 N C 1.870 176.913 175.510 -0.778 0.000 1.024 262 N CA 1.567 54.340 53.050 -0.462 0.000 0.852 262 N CB -0.415 37.803 38.487 -0.449 0.000 1.003 262 N HN 0.332 nan 8.380 nan 0.000 0.424 263 A N 0.718 122.886 122.820 -1.087 0.000 1.883 263 A HA -0.098 4.221 4.320 -0.001 0.000 0.217 263 A C 2.510 179.754 177.584 -0.567 0.000 1.186 263 A CA 1.473 52.771 52.037 -1.230 0.000 0.624 263 A CB -0.837 17.645 19.000 -0.862 0.000 0.822 263 A HN 0.113 nan 8.150 nan 0.000 0.444 264 V N 0.026 119.717 119.914 -0.372 0.000 2.343 264 V HA -0.264 3.855 4.120 -0.001 0.000 0.247 264 V C 2.531 178.517 176.094 -0.181 0.000 1.051 264 V CA 2.282 64.456 62.300 -0.209 0.000 1.036 264 V CB -0.712 31.026 31.823 -0.142 0.000 0.654 264 V HN 0.780 nan 8.190 nan 0.000 0.451 265 E N -0.094 119.981 120.200 -0.208 0.000 2.038 265 E HA -0.291 4.058 4.350 -0.001 0.000 0.195 265 E C 2.283 178.807 176.600 -0.127 0.000 1.000 265 E CA 1.815 58.126 56.400 -0.149 0.000 0.803 265 E CB -0.090 29.521 29.700 -0.148 0.000 0.750 265 E HN 0.680 nan 8.360 nan 0.000 0.448 266 Q N -0.516 119.175 119.800 -0.182 0.000 2.083 266 Q HA -0.108 4.231 4.340 -0.001 0.000 0.198 266 Q C 2.406 178.396 176.000 -0.015 0.000 0.969 266 Q CA 1.939 57.692 55.803 -0.084 0.000 0.838 266 Q CB -0.044 28.644 28.738 -0.083 0.000 0.900 266 Q HN 0.458 nan 8.270 nan 0.000 0.436 267 T N -1.558 112.948 114.554 -0.080 0.000 2.904 267 T HA 0.048 4.397 4.350 -0.001 0.000 0.267 267 T C 1.976 176.722 174.700 0.076 0.000 1.059 267 T CA 0.824 62.918 62.100 -0.011 0.000 1.137 267 T CB -0.146 68.660 68.868 -0.104 0.000 0.879 267 T HN 0.227 nan 8.240 nan 0.000 0.467 268 A N 2.261 125.082 122.820 0.002 0.000 1.877 268 A HA -0.040 4.279 4.320 -0.001 0.000 0.216 268 A C 2.492 180.056 177.584 -0.034 0.000 1.186 268 A CA 1.276 53.314 52.037 0.001 0.000 0.620 268 A CB -0.491 18.488 19.000 -0.036 0.000 0.822 268 A HN 0.327 nan 8.150 nan 0.000 0.443 269 K N -1.342 119.008 120.400 -0.082 0.000 2.026 269 K HA -0.202 4.117 4.320 -0.001 0.000 0.208 269 K C 1.751 178.131 176.600 -0.367 0.000 1.048 269 K CA 1.477 57.601 56.287 -0.271 0.000 0.929 269 K CB -0.611 31.790 32.500 -0.165 0.000 0.713 269 K HN 0.766 nan 8.250 nan 0.000 0.439 270 W N 2.066 123.246 121.300 -0.200 0.000 2.338 270 W HA -0.231 4.428 4.660 -0.001 0.000 0.304 270 W C 1.956 178.461 176.519 -0.023 0.000 1.212 270 W CA 2.377 59.685 57.345 -0.062 0.000 1.264 270 W CB -0.340 29.122 29.460 0.003 0.000 1.142 270 W HN 0.018 nan 8.180 nan 0.000 0.512 271 T N -0.288 114.455 114.554 0.314 0.000 2.777 271 T HA -0.185 4.164 4.350 -0.001 0.000 0.266 271 T C 1.574 176.261 174.700 -0.021 0.000 1.040 271 T CA 2.073 64.321 62.100 0.246 0.000 1.141 271 T CB -0.855 68.197 68.868 0.307 0.000 0.868 271 T HN 0.122 nan 8.240 nan 0.000 0.444 272 T N 1.357 115.860 114.554 -0.085 0.000 2.684 272 T HA -0.148 4.202 4.350 -0.001 0.000 0.267 272 T C 1.681 176.344 174.700 -0.061 0.000 1.036 272 T CA 1.519 63.563 62.100 -0.093 0.000 1.148 272 T CB -0.487 68.298 68.868 -0.139 0.000 0.863 272 T HN 0.644 nan 8.240 nan 0.000 0.436 273 H N 0.237 119.230 119.070 -0.128 0.000 2.387 273 H HA -0.011 4.544 4.556 -0.001 0.000 0.299 273 H C 2.484 177.664 175.328 -0.247 0.000 1.090 273 H CA 1.152 57.091 56.048 -0.182 0.000 1.332 273 H CB 0.043 29.680 29.762 -0.209 0.000 1.386 273 H HN 0.123 nan 8.280 nan 0.000 0.516 274 K N 1.558 121.777 120.400 -0.300 0.000 2.057 274 K HA -0.079 4.240 4.320 -0.001 0.000 0.206 274 K C 1.893 178.433 176.600 -0.100 0.000 1.050 274 K CA 1.106 57.190 56.287 -0.337 0.000 0.935 274 K CB -0.365 31.745 32.500 -0.650 0.000 0.715 274 K HN 0.268 nan 8.250 nan 0.000 0.439 275 I N 0.512 121.050 120.570 -0.055 0.000 2.226 275 I HA -0.268 3.901 4.170 -0.001 0.000 0.245 275 I C 2.264 178.387 176.117 0.010 0.000 1.100 275 I CA 1.249 62.552 61.300 0.006 0.000 1.374 275 I CB -0.432 37.577 38.000 0.016 0.000 1.057 275 I HN 0.252 nan 8.210 nan 0.000 0.413 276 A N 0.735 123.563 122.820 0.013 0.000 1.902 276 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 276 A C 2.537 180.141 177.584 0.032 0.000 1.181 276 A CA 1.913 53.964 52.037 0.024 0.000 0.623 276 A CB -0.799 18.224 19.000 0.040 0.000 0.818 276 A HN 0.442 nan 8.150 nan 0.000 0.443 277 A N -0.195 122.647 122.820 0.035 0.000 1.898 277 A HA 0.191 4.511 4.320 -0.001 0.000 0.216 277 A C 2.506 180.147 177.584 0.094 0.000 1.181 277 A CA 1.985 54.081 52.037 0.098 0.000 0.620 277 A CB -1.003 18.045 19.000 0.080 0.000 0.819 277 A HN 1.043 nan 8.150 nan 0.000 0.442 278 A N -0.061 122.794 122.820 0.058 0.000 1.883 278 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 278 A C 2.246 179.766 177.584 -0.107 0.000 1.186 278 A CA 1.579 53.643 52.037 0.045 0.000 0.624 278 A CB -0.526 18.564 19.000 0.149 0.000 0.822 278 A HN 0.542 nan 8.150 nan 0.000 0.444 279 R N -0.567 119.889 120.500 -0.073 0.000 2.091 279 R HA -0.138 4.201 4.340 -0.001 0.000 0.238 279 R C 2.110 178.363 176.300 -0.079 0.000 1.136 279 R CA 1.436 57.474 56.100 -0.104 0.000 0.959 279 R CB -0.354 29.919 30.300 -0.045 0.000 0.856 279 R HN 0.551 nan 8.270 nan 0.000 0.437 280 E N 0.762 120.972 120.200 0.016 0.000 2.077 280 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 280 E C 2.025 178.674 176.600 0.082 0.000 0.989 280 E CA 0.918 57.394 56.400 0.126 0.000 0.800 280 E CB -0.219 29.648 29.700 0.278 0.000 0.746 280 E HN 0.147 nan 8.360 nan 0.000 0.452 281 L N 1.013 122.118 121.223 -0.197 0.000 2.093 281 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 281 L C 2.185 178.926 176.870 -0.215 0.000 1.085 281 L CA 1.243 55.768 54.840 -0.525 0.000 0.755 281 L CB -0.378 41.275 42.059 -0.676 0.000 0.904 281 L HN 0.034 nan 8.230 nan 0.000 0.435 282 I N -0.403 119.896 120.570 -0.452 0.000 2.226 282 I HA -0.295 3.874 4.170 -0.001 0.000 0.245 282 I C 2.597 178.574 176.117 -0.233 0.000 1.100 282 I CA 1.201 62.082 61.300 -0.699 0.000 1.374 282 I CB -0.651 36.809 38.000 -0.900 0.000 1.057 282 I HN 0.357 nan 8.210 nan 0.000 0.413 283 A N 0.158 122.911 122.820 -0.111 0.000 1.877 283 A HA -0.317 4.002 4.320 -0.001 0.000 0.216 283 A C 2.219 179.859 177.584 0.093 0.000 1.186 283 A CA 2.263 54.299 52.037 -0.002 0.000 0.620 283 A CB -0.995 18.025 19.000 0.033 0.000 0.822 283 A HN 0.541 nan 8.150 nan 0.000 0.443 284 H N -0.048 119.067 119.070 0.074 0.000 2.321 284 H HA -0.079 4.476 4.556 -0.001 0.000 0.300 284 H C 2.091 177.548 175.328 0.214 0.000 1.087 284 H CA 2.400 58.548 56.048 0.166 0.000 1.319 284 H CB -0.537 29.385 29.762 0.267 0.000 1.379 284 H HN 0.373 nan 8.280 nan 0.000 0.501 285 T N -0.571 114.044 114.554 0.102 0.000 2.746 285 T HA -0.160 4.189 4.350 -0.001 0.000 0.267 285 T C 1.965 176.699 174.700 0.057 0.000 1.039 285 T CA 1.810 63.987 62.100 0.129 0.000 1.142 285 T CB -0.586 68.534 68.868 0.420 0.000 0.866 285 T HN 0.453 nan 8.240 nan 0.000 0.444 286 T N 1.601 116.188 114.554 0.055 0.000 2.665 286 T HA -0.136 4.213 4.350 -0.001 0.000 0.268 286 T C 2.522 177.157 174.700 -0.108 0.000 1.035 286 T CA 1.910 64.023 62.100 0.023 0.000 1.151 286 T CB -0.653 68.221 68.868 0.010 0.000 0.862 286 T HN 0.703 nan 8.240 nan 0.000 0.438 287 E N 0.530 120.683 120.200 -0.078 0.000 2.110 287 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 287 E C 1.792 178.338 176.600 -0.090 0.000 0.988 287 E CA 1.536 57.880 56.400 -0.093 0.000 0.804 287 E CB -1.205 28.497 29.700 0.003 0.000 0.745 287 E HN 0.743 nan 8.360 nan 0.000 0.458 288 Y N 0.772 120.930 120.300 -0.237 0.000 2.163 288 Y HA -0.098 4.452 4.550 -0.001 0.000 0.288 288 Y C 2.516 178.272 175.900 -0.241 0.000 1.136 288 Y CA 1.739 59.684 58.100 -0.257 0.000 1.147 288 Y CB -0.382 37.835 38.460 -0.406 0.000 0.987 288 Y HN 0.094 nan 8.280 nan 0.000 0.509 289 V N 1.062 120.811 119.914 -0.274 0.000 2.343 289 V HA -0.284 3.836 4.120 -0.001 0.000 0.247 289 V C 2.565 178.504 176.094 -0.258 0.000 1.051 289 V CA 2.250 64.376 62.300 -0.291 0.000 1.036 289 V CB -0.731 31.041 31.823 -0.085 0.000 0.654 289 V HN 0.342 nan 8.190 nan 0.000 0.451 290 R N -0.347 119.947 120.500 -0.344 0.000 2.096 290 R HA -0.202 4.137 4.340 -0.001 0.000 0.235 290 R C 2.355 178.476 176.300 -0.298 0.000 1.127 290 R CA 1.805 57.610 56.100 -0.492 0.000 0.968 290 R CB -0.110 29.690 30.300 -0.833 0.000 0.861 290 R HN 0.612 nan 8.270 nan 0.000 0.440 291 Q N -0.587 119.052 119.800 -0.268 0.000 2.020 291 Q HA -0.129 4.210 4.340 -0.001 0.000 0.198 291 Q C 2.229 178.090 176.000 -0.233 0.000 0.974 291 Q CA 1.090 56.770 55.803 -0.205 0.000 0.829 291 Q CB 0.081 28.733 28.738 -0.143 0.000 0.894 291 Q HN 0.320 nan 8.270 nan 0.000 0.433 292 Q N -0.059 119.520 119.800 -0.368 0.000 2.123 292 Q HA 0.003 4.343 4.340 -0.001 0.000 0.199 292 Q C 0.619 176.466 176.000 -0.255 0.000 0.966 292 Q CA 0.949 56.528 55.803 -0.372 0.000 0.845 292 Q CB 0.397 28.739 28.738 -0.659 0.000 0.907 292 Q HN 0.325 nan 8.270 nan 0.000 0.439 293 L N 1.768 122.849 121.223 -0.237 0.000 2.678 293 L HA 0.215 4.554 4.340 -0.001 0.000 0.250 293 L C -1.766 175.038 176.870 -0.111 0.000 1.455 293 L CA -0.973 53.768 54.840 -0.165 0.000 0.823 293 L CB 1.326 43.274 42.059 -0.185 0.000 1.107 293 L HN -0.064 nan 8.230 nan 0.000 0.514 294 P HA -0.156 nan 4.420 nan 0.000 0.223 294 P C 1.343 178.630 177.300 -0.022 0.000 1.151 294 P CA 1.085 64.154 63.100 -0.051 0.000 0.787 294 P CB 0.277 31.936 31.700 -0.069 0.000 0.788 295 K N 0.788 121.160 120.400 -0.046 0.000 2.366 295 K HA 0.052 4.371 4.320 -0.001 0.000 0.198 295 K C 1.851 178.407 176.600 -0.075 0.000 1.044 295 K CA 1.191 57.456 56.287 -0.037 0.000 0.973 295 K CB -1.037 31.449 32.500 -0.023 0.000 0.767 295 K HN 0.499 nan 8.250 nan 0.000 0.475 296 I N -4.396 116.077 120.570 -0.161 0.000 4.154 296 I HA 0.385 4.554 4.170 -0.001 0.000 0.334 296 I C 0.717 176.585 176.117 -0.414 0.000 1.371 296 I CA -0.712 60.340 61.300 -0.414 0.000 1.110 296 I CB 0.271 37.829 38.000 -0.736 0.000 1.085 296 I HN 0.160 nan 8.210 nan 0.000 0.398 297 Y N 3.993 124.126 120.300 -0.278 0.000 2.610 297 Y HA 0.411 4.960 4.550 -0.001 0.000 0.332 297 Y C 0.250 176.054 175.900 -0.159 0.000 1.201 297 Y CA 0.439 58.407 58.100 -0.221 0.000 1.465 297 Y CB 0.540 38.901 38.460 -0.165 0.000 1.283 297 Y HN 0.404 nan 8.280 nan 0.000 0.563 298 S N 4.284 119.077 115.700 -1.512 0.000 2.552 298 S HA 0.132 4.602 4.470 -0.001 0.000 0.272 298 S C 0.214 174.230 174.600 -0.973 0.000 1.150 298 S CA -0.777 56.742 58.200 -1.134 0.000 0.849 298 S CB 0.921 63.857 63.200 -0.441 0.000 1.113 298 S HN 0.937 nan 8.310 nan 0.000 0.458 299 H N 1.415 120.157 119.070 -0.546 0.000 2.353 299 H HA -0.112 4.443 4.556 -0.001 0.000 0.298 299 H C 1.206 176.435 175.328 -0.164 0.000 1.103 299 H CA 2.823 58.746 56.048 -0.209 0.000 1.293 299 H CB -0.065 29.651 29.762 -0.077 0.000 1.372 299 H HN 0.803 nan 8.280 nan 0.000 0.501 300 E N 0.425 120.660 120.200 0.058 0.000 2.150 300 E HA -0.099 4.250 4.350 -0.001 0.000 0.193 300 E C 2.313 178.890 176.600 -0.039 0.000 0.985 300 E CA 0.765 57.199 56.400 0.055 0.000 0.814 300 E CB -0.341 29.371 29.700 0.019 0.000 0.752 300 E HN 0.319 nan 8.360 nan 0.000 0.466 301 L N 0.106 121.244 121.223 -0.142 0.000 2.027 301 L HA -0.109 4.230 4.340 -0.001 0.000 0.206 301 L C 2.026 178.832 176.870 -0.107 0.000 1.074 301 L CA 1.389 56.145 54.840 -0.140 0.000 0.745 301 L CB -0.462 41.449 42.059 -0.248 0.000 0.898 301 L HN 0.011 nan 8.230 nan 0.000 0.433 302 V N -0.180 119.661 119.914 -0.122 0.000 2.392 302 V HA -0.348 3.771 4.120 -0.001 0.000 0.249 302 V C 2.628 178.775 176.094 0.088 0.000 1.059 302 V CA 2.023 64.323 62.300 -0.001 0.000 1.051 302 V CB -0.713 31.119 31.823 0.016 0.000 0.658 302 V HN 0.663 nan 8.190 nan 0.000 0.455 303 Q N -0.383 119.407 119.800 -0.018 0.000 2.061 303 Q HA -0.217 4.122 4.340 -0.001 0.000 0.204 303 Q C 2.308 178.357 176.000 0.081 0.000 0.984 303 Q CA 2.407 58.230 55.803 0.032 0.000 0.846 303 Q CB -0.322 28.446 28.738 0.049 0.000 0.902 303 Q HN 0.482 nan 8.270 nan 0.000 0.421 304 V N 1.318 121.258 119.914 0.043 0.000 2.626 304 V HA -0.182 3.937 4.120 -0.001 0.000 0.252 304 V C 2.040 178.156 176.094 0.036 0.000 1.067 304 V CA 1.642 63.966 62.300 0.041 0.000 1.081 304 V CB -0.534 31.303 31.823 0.023 0.000 0.686 304 V HN 0.597 nan 8.190 nan 0.000 0.468 305 I N -3.735 116.830 120.570 -0.007 0.000 2.676 305 I HA -0.063 4.106 4.170 -0.001 0.000 0.259 305 I C 2.057 178.126 176.117 -0.080 0.000 1.194 305 I CA 1.677 62.931 61.300 -0.076 0.000 1.473 305 I CB -0.593 37.250 38.000 -0.263 0.000 1.096 305 I HN 0.212 nan 8.210 nan 0.000 0.443 306 F N 1.658 121.575 119.950 -0.056 0.000 2.619 306 F HA 0.154 4.680 4.527 -0.001 0.000 0.293 306 F C 2.409 178.206 175.800 -0.004 0.000 1.119 306 F CA 0.627 58.440 58.000 -0.313 0.000 1.445 306 F CB -0.133 38.529 39.000 -0.563 0.000 1.119 306 F HN 0.009 nan 8.300 nan 0.000 0.573 307 E N -0.364 119.937 120.200 0.168 0.000 2.152 307 E HA -0.095 4.254 4.350 -0.001 0.000 0.192 307 E C 0.298 176.965 176.600 0.112 0.000 0.983 307 E CA 0.737 57.217 56.400 0.132 0.000 0.818 307 E CB 0.061 29.811 29.700 0.082 0.000 0.758 307 E HN 0.220 nan 8.360 nan 0.000 0.467 308 Q N -0.306 119.570 119.800 0.125 0.000 2.616 308 Q HA 0.170 4.509 4.340 -0.001 0.000 0.250 308 Q C -2.214 173.884 176.000 0.163 0.000 0.991 308 Q CA -1.794 54.073 55.803 0.106 0.000 0.707 308 Q CB 1.412 30.204 28.738 0.089 0.000 1.247 308 Q HN 0.018 nan 8.270 nan 0.000 0.491 309 P HA -0.148 nan 4.420 nan 0.000 0.218 309 P C -0.376 176.975 177.300 0.084 0.000 1.146 309 P CA 1.414 64.646 63.100 0.220 0.000 0.813 309 P CB 0.151 31.999 31.700 0.247 0.000 0.778 310 Y N -1.525 118.842 120.300 0.112 0.000 2.328 310 Y HA 0.417 4.966 4.550 -0.001 0.000 0.333 310 Y C 0.170 176.123 175.900 0.088 0.000 0.958 310 Y CA -0.815 57.339 58.100 0.090 0.000 1.167 310 Y CB 1.085 39.566 38.460 0.035 0.000 1.151 310 Y HN -0.116 nan 8.280 nan 0.000 0.470 311 C N 4.780 124.217 119.300 0.228 0.000 2.561 311 C HA 0.805 5.264 4.460 -0.001 0.000 0.319 311 C C -0.621 174.516 174.990 0.245 0.000 1.198 311 C CA -0.763 58.367 59.018 0.187 0.000 1.665 311 C CB 0.975 28.789 27.740 0.124 0.000 2.258 311 C HN 0.984 nan 8.230 nan 0.000 0.493 312 R N 3.268 123.875 120.500 0.179 0.000 2.854 312 R HA 0.476 4.816 4.340 -0.001 0.000 0.271 312 R C 0.665 177.039 176.300 0.123 0.000 0.994 312 R CA -0.766 55.446 56.100 0.187 0.000 0.945 312 R CB 1.223 31.598 30.300 0.125 0.000 1.194 312 R HN 0.617 nan 8.270 nan 0.000 0.476 313 I N 0.970 121.613 120.570 0.122 0.000 2.248 313 I HA -0.302 3.867 4.170 -0.001 0.000 0.248 313 I C 2.436 178.572 176.117 0.032 0.000 1.107 313 I CA 1.413 62.743 61.300 0.051 0.000 1.373 313 I CB -0.548 37.483 38.000 0.053 0.000 1.055 313 I HN 0.606 nan 8.210 nan 0.000 0.418 314 Q N 1.364 121.192 119.800 0.046 0.000 2.096 314 Q HA -0.216 4.123 4.340 -0.001 0.000 0.204 314 Q C 1.900 177.920 176.000 0.032 0.000 0.982 314 Q CA 2.049 57.873 55.803 0.034 0.000 0.850 314 Q CB -0.574 28.187 28.738 0.039 0.000 0.901 314 Q HN 0.648 nan 8.270 nan 0.000 0.422 315 N N -1.054 117.671 118.700 0.043 0.000 2.149 315 N HA -0.157 4.583 4.740 -0.001 0.000 0.188 315 N C 1.157 176.684 175.510 0.027 0.000 1.019 315 N CA 1.321 54.394 53.050 0.039 0.000 0.857 315 N CB -0.101 38.417 38.487 0.051 0.000 0.997 315 N HN 0.159 nan 8.380 nan 0.000 0.426 316 L N -0.185 121.050 121.223 0.020 0.000 2.179 316 L HA -0.017 4.323 4.340 -0.001 0.000 0.208 316 L C 1.950 178.824 176.870 0.006 0.000 1.096 316 L CA 0.810 55.657 54.840 0.012 0.000 0.779 316 L CB -0.391 41.670 42.059 0.003 0.000 0.922 316 L HN 0.046 nan 8.230 nan 0.000 0.443 317 V N -0.909 119.006 119.914 0.002 0.000 2.255 317 V HA -0.260 3.859 4.120 -0.001 0.000 0.243 317 V C 2.616 178.713 176.094 0.005 0.000 1.038 317 V CA 1.682 63.980 62.300 -0.003 0.000 1.008 317 V CB -0.588 31.232 31.823 -0.004 0.000 0.645 317 V HN 0.502 nan 8.190 nan 0.000 0.449 318 E N 0.204 120.411 120.200 0.012 0.000 2.233 318 E HA -0.240 4.109 4.350 -0.001 0.000 0.199 318 E C 1.867 178.478 176.600 0.017 0.000 1.004 318 E CA 1.613 58.023 56.400 0.016 0.000 0.819 318 E CB -0.468 29.245 29.700 0.021 0.000 0.738 318 E HN 0.733 nan 8.360 nan 0.000 0.478 319 S N -0.490 115.221 115.700 0.018 0.000 2.685 319 S HA 0.476 4.945 4.470 -0.001 0.000 0.240 319 S C 1.022 175.631 174.600 0.016 0.000 0.967 319 S CA 0.188 58.400 58.200 0.020 0.000 1.009 319 S CB -0.284 62.931 63.200 0.024 0.000 0.776 319 S HN 0.829 nan 8.310 nan 0.000 0.467 320 G N 2.121 110.927 108.800 0.011 0.000 2.591 320 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.298 320 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.298 320 G C 0.567 175.474 174.900 0.011 0.000 1.195 320 G CA 0.411 45.516 45.100 0.007 0.000 0.989 320 G HN 1.069 nan 8.290 nan 0.000 0.551 321 L N -2.583 118.649 121.223 0.016 0.000 3.153 321 L HA -0.108 4.232 4.340 -0.001 0.000 0.369 321 L C 0.780 177.683 176.870 0.054 0.000 3.110 321 L CA 2.914 57.775 54.840 0.034 0.000 2.423 321 L CB -1.148 40.935 42.059 0.040 0.000 2.474 321 L HN 2.890 nan 8.230 nan 0.000 0.797 322 A N -0.562 122.270 122.820 0.020 0.000 2.604 322 A HA 0.621 4.941 4.320 -0.001 0.000 0.295 322 A C -0.796 176.745 177.584 -0.072 0.000 1.067 322 A CA -0.392 51.624 52.037 -0.035 0.000 0.683 322 A CB 1.209 20.144 19.000 -0.110 0.000 1.281 322 A HN 0.222 nan 8.150 nan 0.000 0.407 323 K N 0.200 120.545 120.400 -0.091 0.000 2.149 323 K HA 0.232 4.551 4.320 -0.001 0.000 0.245 323 K C 1.208 177.743 176.600 -0.109 0.000 1.024 323 K CA -0.442 55.798 56.287 -0.079 0.000 0.899 323 K CB 0.652 33.110 32.500 -0.070 0.000 1.038 323 K HN 0.707 nan 8.250 nan 0.000 0.496 324 R N 1.036 121.489 120.500 -0.078 0.000 2.105 324 R HA -0.217 4.122 4.340 -0.001 0.000 0.239 324 R C 2.052 178.285 176.300 -0.112 0.000 1.135 324 R CA 1.810 57.863 56.100 -0.079 0.000 0.967 324 R CB 0.045 30.319 30.300 -0.044 0.000 0.861 324 R HN 0.540 nan 8.270 nan 0.000 0.442 325 Q N -1.009 118.724 119.800 -0.112 0.000 2.020 325 Q HA -0.149 4.191 4.340 -0.001 0.000 0.202 325 Q C 1.999 177.871 176.000 -0.214 0.000 0.982 325 Q CA 2.277 58.005 55.803 -0.125 0.000 0.838 325 Q CB -0.056 28.624 28.738 -0.096 0.000 0.899 325 Q HN 0.362 nan 8.270 nan 0.000 0.423 326 T N 0.736 115.116 114.554 -0.290 0.000 2.821 326 T HA -0.109 4.240 4.350 -0.001 0.000 0.267 326 T C 1.796 175.931 174.700 -0.941 0.000 1.046 326 T CA 1.114 62.879 62.100 -0.558 0.000 1.139 326 T CB -0.207 68.376 68.868 -0.475 0.000 0.871 326 T HN 0.370 nan 8.240 nan 0.000 0.454 327 A N 0.803 123.288 122.820 -0.558 0.000 1.969 327 A HA -0.033 4.286 4.320 -0.001 0.000 0.218 327 A C 2.539 179.967 177.584 -0.261 0.000 1.169 327 A CA 1.817 53.622 52.037 -0.387 0.000 0.635 327 A CB -0.848 18.049 19.000 -0.172 0.000 0.810 327 A HN 0.432 nan 8.150 nan 0.000 0.445 328 S N -0.555 115.015 115.700 -0.217 0.000 2.368 328 S HA -0.114 4.355 4.470 -0.001 0.000 0.224 328 S C 1.859 176.382 174.600 -0.129 0.000 1.029 328 S CA 1.555 59.676 58.200 -0.131 0.000 0.988 328 S CB -0.391 62.760 63.200 -0.082 0.000 0.838 328 S HN 0.300 nan 8.310 nan 0.000 0.462 329 V N 1.307 121.118 119.914 -0.172 0.000 2.515 329 V HA -0.105 4.014 4.120 -0.001 0.000 0.250 329 V C 2.115 178.241 176.094 0.055 0.000 1.058 329 V CA 1.449 63.703 62.300 -0.078 0.000 1.064 329 V CB -0.901 30.872 31.823 -0.084 0.000 0.675 329 V HN 0.534 nan 8.190 nan 0.000 0.461 330 Y N -0.237 119.994 120.300 -0.115 0.000 2.184 330 Y HA 0.003 4.552 4.550 -0.001 0.000 0.290 330 Y C 2.285 178.062 175.900 -0.205 0.000 1.129 330 Y CA 0.347 58.361 58.100 -0.142 0.000 1.144 330 Y CB -1.048 37.333 38.460 -0.133 0.000 0.995 330 Y HN 0.145 nan 8.280 nan 0.000 0.513 331 L N -0.338 120.812 121.223 -0.122 0.000 2.131 331 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 331 L C 2.305 178.944 176.870 -0.385 0.000 1.092 331 L CA 1.227 55.828 54.840 -0.399 0.000 0.759 331 L CB -0.394 41.209 42.059 -0.760 0.000 0.903 331 L HN 0.093 nan 8.230 nan 0.000 0.435 332 K N 0.018 120.296 120.400 -0.203 0.000 2.116 332 K HA -0.082 4.237 4.320 -0.001 0.000 0.203 332 K C 2.034 178.600 176.600 -0.057 0.000 1.052 332 K CA 0.962 57.198 56.287 -0.086 0.000 0.952 332 K CB -0.197 32.294 32.500 -0.014 0.000 0.729 332 K HN 0.404 nan 8.250 nan 0.000 0.446 333 Q N 0.488 120.258 119.800 -0.051 0.000 2.170 333 Q HA -0.043 4.296 4.340 -0.001 0.000 0.203 333 Q C 2.112 178.057 176.000 -0.093 0.000 0.976 333 Q CA 0.973 56.745 55.803 -0.053 0.000 0.858 333 Q CB -0.067 28.651 28.738 -0.034 0.000 0.907 333 Q HN 0.225 nan 8.270 nan 0.000 0.433 334 L N -0.668 120.480 121.223 -0.125 0.000 2.217 334 L HA -0.152 4.187 4.340 -0.001 0.000 0.211 334 L C 2.284 179.088 176.870 -0.109 0.000 1.107 334 L CA 0.381 55.129 54.840 -0.155 0.000 0.783 334 L CB -0.181 41.754 42.059 -0.207 0.000 0.919 334 L HN 0.369 nan 8.230 nan 0.000 0.442 335 C N -0.478 118.774 119.300 -0.079 0.000 2.457 335 C HA -0.099 4.361 4.460 -0.001 0.000 0.278 335 C C 2.351 177.351 174.990 0.016 0.000 1.309 335 C CA 0.084 59.104 59.018 0.002 0.000 1.735 335 C CB -0.623 27.159 27.740 0.071 0.000 1.992 335 C HN 0.520 nan 8.230 nan 0.000 0.493 336 D N 1.550 121.947 120.400 -0.005 0.000 2.133 336 D HA -0.121 4.518 4.640 -0.001 0.000 0.195 336 D C 1.748 178.054 176.300 0.009 0.000 0.997 336 D CA 1.409 55.410 54.000 0.003 0.000 0.840 336 D CB -0.444 40.347 40.800 -0.016 0.000 0.947 336 D HN 0.649 nan 8.370 nan 0.000 0.452 337 I N -3.791 116.768 120.570 -0.018 0.000 3.684 337 I HA 0.281 4.450 4.170 -0.001 0.000 0.304 337 I C 1.251 177.451 176.117 0.138 0.000 1.278 337 I CA 0.609 61.917 61.300 0.013 0.000 1.272 337 I CB -0.033 37.866 38.000 -0.167 0.000 1.029 337 I HN 0.034 nan 8.210 nan 0.000 0.458 338 G N 1.233 110.091 108.800 0.097 0.000 2.143 338 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.249 338 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.249 338 G C 0.608 175.613 174.900 0.175 0.000 0.981 338 G CA 0.389 45.578 45.100 0.149 0.000 0.665 338 G HN 0.307 nan 8.290 nan 0.000 0.528 339 V N 0.030 119.966 119.914 0.036 0.000 2.346 339 V HA 0.253 4.372 4.120 -0.001 0.000 0.244 339 V C 1.830 177.871 176.094 -0.089 0.000 1.037 339 V CA 1.958 64.225 62.300 -0.056 0.000 1.029 339 V CB -0.243 31.422 31.823 -0.265 0.000 0.663 339 V HN 0.423 nan 8.190 nan 0.000 0.454 340 L N -0.353 120.810 121.223 -0.099 0.000 2.335 340 L HA 0.647 4.986 4.340 -0.001 0.000 0.268 340 L C -0.287 176.626 176.870 0.072 0.000 1.016 340 L CA -0.428 54.384 54.840 -0.047 0.000 0.805 340 L CB 1.499 43.497 42.059 -0.101 0.000 1.311 340 L HN 0.191 nan 8.230 nan 0.000 0.456 341 E N 0.604 120.894 120.200 0.149 0.000 2.343 341 E HA 0.153 4.502 4.350 -0.001 0.000 0.286 341 E C -1.495 175.212 176.600 0.178 0.000 0.915 341 E CA -0.594 55.900 56.400 0.156 0.000 0.784 341 E CB 1.923 31.671 29.700 0.080 0.000 1.251 341 E HN 0.569 nan 8.360 nan 0.000 0.407 342 E N 3.189 123.472 120.200 0.139 0.000 2.344 342 E HA 0.245 4.594 4.350 -0.001 0.000 0.270 342 E C -0.117 176.391 176.600 -0.153 0.000 1.021 342 E CA -0.382 55.889 56.400 -0.214 0.000 0.887 342 E CB 0.978 30.530 29.700 -0.246 0.000 0.997 342 E HN 0.392 nan 8.360 nan 0.000 0.429 347 K N -0.668 119.734 120.400 0.003 0.000 2.211 347 K HA 0.402 4.721 4.320 -0.001 0.000 0.203 347 K C 1.127 177.731 176.600 0.007 0.000 1.050 347 K CA 2.039 58.329 56.287 0.005 0.000 0.945 347 K CB -0.364 32.141 32.500 0.009 0.000 0.732 347 K HN 0.774 nan 8.250 nan 0.000 0.451 348 E N 0.946 121.152 120.200 0.010 0.000 2.249 348 E HA 0.299 4.648 4.350 -0.001 0.000 0.280 348 E C -1.015 175.584 176.600 -0.002 0.000 1.016 348 E CA -0.642 55.770 56.400 0.020 0.000 0.830 348 E CB 1.221 30.941 29.700 0.033 0.000 1.081 348 E HN 0.449 nan 8.360 nan 0.000 0.395 349 K N 2.712 123.119 120.400 0.011 0.000 2.322 349 K HA 0.385 4.704 4.320 -0.001 0.000 0.283 349 K C -0.065 176.451 176.600 -0.139 0.000 1.042 349 K CA -0.461 55.763 56.287 -0.106 0.000 0.958 349 K CB 0.751 33.251 32.500 0.000 0.000 0.984 349 K HN 0.488 nan 8.250 nan 0.000 0.473 350 L N 2.659 123.674 121.223 -0.347 0.000 2.346 350 L HA 0.676 5.015 4.340 -0.001 0.000 0.276 350 L C -1.406 175.185 176.870 -0.465 0.000 1.006 350 L CA -0.560 54.168 54.840 -0.186 0.000 0.817 350 L CB 0.944 42.976 42.059 -0.045 0.000 1.272 350 L HN 0.647 nan 8.230 nan 0.000 0.421 351 F N 4.651 124.633 119.950 0.054 0.000 2.539 351 F HA 0.479 5.005 4.527 -0.001 0.000 0.328 351 F C -0.053 175.713 175.800 -0.057 0.000 1.148 351 F CA -0.753 57.249 58.000 0.004 0.000 0.940 351 F CB 1.882 40.874 39.000 -0.013 0.000 1.194 351 F HN 0.224 nan 8.300 nan 0.000 0.438 352 V N 3.655 123.567 119.914 -0.003 0.000 2.834 352 V HA 0.238 4.357 4.120 -0.001 0.000 0.301 352 V C -0.498 175.571 176.094 -0.042 0.000 1.066 352 V CA -0.297 61.849 62.300 -0.258 0.000 1.052 352 V CB 1.335 32.865 31.823 -0.487 0.000 1.021 352 V HN 0.864 nan 8.190 nan 0.000 0.480 353 H N 6.884 125.856 119.070 -0.164 0.000 2.643 353 H HA 0.425 4.980 4.556 -0.001 0.000 0.259 353 H C -1.978 173.326 175.328 -0.041 0.000 1.298 353 H CA -2.091 53.912 56.048 -0.075 0.000 1.301 353 H CB 1.514 31.227 29.762 -0.082 0.000 1.422 353 H HN 0.533 nan 8.280 nan 0.000 0.521 354 P HA -0.184 nan 4.420 nan 0.000 0.216 354 P C 1.411 178.751 177.300 0.066 0.000 1.153 354 P CA 1.117 64.258 63.100 0.068 0.000 0.848 354 P CB 0.317 32.056 31.700 0.064 0.000 0.787 355 K N -1.539 118.946 120.400 0.142 0.000 2.097 355 K HA -0.141 4.178 4.320 -0.001 0.000 0.205 355 K C 1.940 178.558 176.600 0.030 0.000 1.050 355 K CA 1.057 57.386 56.287 0.071 0.000 0.938 355 K CB -0.476 32.064 32.500 0.068 0.000 0.718 355 K HN -0.037 nan 8.250 nan 0.000 0.442 356 F N 0.740 120.483 119.950 -0.344 0.000 2.234 356 F HA -0.076 4.450 4.527 -0.001 0.000 0.296 356 F C 1.687 177.408 175.800 -0.132 0.000 1.089 356 F CA 0.651 58.430 58.000 -0.369 0.000 1.343 356 F CB -0.317 38.114 39.000 -0.949 0.000 1.040 356 F HN -0.239 nan 8.300 nan 0.000 0.498 357 V N -0.005 119.801 119.914 -0.180 0.000 2.332 357 V HA -0.338 3.781 4.120 -0.001 0.000 0.248 357 V C 2.343 178.332 176.094 -0.176 0.000 1.055 357 V CA 2.459 64.654 62.300 -0.174 0.000 1.038 357 V CB -1.272 30.495 31.823 -0.093 0.000 0.651 357 V HN 0.389 nan 8.190 nan 0.000 0.450 358 T N 0.063 114.561 114.554 -0.095 0.000 2.746 358 T HA -0.101 4.248 4.350 -0.001 0.000 0.267 358 T C 0.905 175.574 174.700 -0.051 0.000 1.039 358 T CA 1.040 63.105 62.100 -0.059 0.000 1.142 358 T CB -0.280 68.581 68.868 -0.012 0.000 0.866 358 T HN 0.232 nan 8.240 nan 0.000 0.444 362 K N 0.826 121.210 120.400 -0.026 0.000 2.238 362 K HA 0.599 4.918 4.320 -0.001 0.000 0.239 362 K C 0.333 177.023 176.600 0.150 0.000 0.987 362 K CA -0.549 55.765 56.287 0.045 0.000 0.857 362 K CB 1.968 34.480 32.500 0.019 0.000 1.154 362 K HN -0.105 nan 8.250 nan 0.000 0.439 363 D N 0.579 121.087 120.400 0.180 0.000 2.097 363 D HA -0.103 4.536 4.640 -0.001 0.000 0.197 363 D C 0.505 176.936 176.300 0.218 0.000 0.984 363 D CA 1.053 55.237 54.000 0.307 0.000 0.826 363 D CB 0.125 41.074 40.800 0.248 0.000 0.973 363 D HN 0.382 nan 8.370 nan 0.000 0.460 364 S N -0.509 115.263 115.700 0.120 0.000 2.558 364 S HA -0.034 4.435 4.470 -0.001 0.000 0.291 364 S C 0.810 175.438 174.600 0.047 0.000 1.306 364 S CA -0.236 58.006 58.200 0.069 0.000 1.056 364 S CB 0.249 63.475 63.200 0.044 0.000 0.836 364 S HN 0.211 nan 8.310 nan 0.000 0.504 365 N N 2.246 120.954 118.700 0.013 0.000 2.280 365 N HA 0.094 4.833 4.740 -0.001 0.000 0.192 365 N C -0.203 175.348 175.510 0.069 0.000 1.109 365 N CA 0.162 53.223 53.050 0.019 0.000 0.855 365 N CB 0.238 38.700 38.487 -0.041 0.000 0.974 365 N HN 0.618 nan 8.380 nan 0.000 0.482 366 Q N 0.569 120.379 119.800 0.016 0.000 2.259 366 Q HA 0.286 4.626 4.340 -0.001 0.000 0.249 366 Q C -0.470 175.550 176.000 0.034 0.000 0.914 366 Q CA -0.201 55.564 55.803 -0.063 0.000 0.904 366 Q CB 1.129 29.802 28.738 -0.108 0.000 1.213 366 Q HN 0.171 nan 8.270 nan 0.000 0.428 367 F N -1.764 118.151 119.950 -0.060 0.000 2.588 367 F HA 0.570 5.096 4.527 -0.001 0.000 0.310 367 F C -0.194 175.537 175.800 -0.115 0.000 1.082 367 F CA -1.297 56.661 58.000 -0.070 0.000 0.929 367 F CB 0.916 39.892 39.000 -0.039 0.000 1.254 367 F HN 0.355 nan 8.300 nan 0.000 0.455 368 S N 1.663 117.375 115.700 0.020 0.000 2.584 368 S HA 0.598 5.067 4.470 -0.001 0.000 0.273 368 S C -0.213 174.358 174.600 -0.049 0.000 1.311 368 S CA -1.002 57.146 58.200 -0.086 0.000 1.034 368 S CB 0.939 64.094 63.200 -0.074 0.000 0.939 368 S HN 0.800 nan 8.310 nan 0.000 0.513 369 R N 0.609 121.028 120.500 -0.134 0.000 2.577 369 R HA 0.378 4.717 4.340 -0.001 0.000 0.269 369 R C -0.500 175.791 176.300 -0.015 0.000 1.084 369 R CA -0.460 55.583 56.100 -0.094 0.000 1.163 369 R CB 0.331 30.482 30.300 -0.248 0.000 1.100 369 R HN 0.658 nan 8.270 nan 0.000 0.547 370 Y N 0.000 120.462 120.300 0.270 0.000 2.660 370 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 370 Y CA 0.000 57.958 58.100 -0.237 0.000 1.940 370 Y CB 0.000 37.791 38.460 -1.114 0.000 1.050 370 Y HN 0.000 nan 8.280 nan 0.000 0.758