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 1zc6_1_A DATA FIRST_RESID 8 DATA SEQUENCE PSIRYLIGVD GGGTGTRIRL HASDGTPLAX AEGGASALSQ GIAKSWQAVL DATA SEQUENCE STLEAAFQQA GLPAAPASAC AIGLGLSGVH NRQWAGEFES QAPGFARLSL DATA SEQUENCE ATDGYTTLLG AHGGQPGIIV ALGTGSIGEA LYPDGSHREA GGWGYPSGDE DATA SEQUENCE ASGAWLGQRA AQLTQXALDG RHSHSPLTRA VLDFVGGDWQ AXXAWNGRAT DATA SEQUENCE PAQFARLAPL VLSAARVDPE ADALLRQAGE DAWAIARALD PQDELPVALC DATA SEQUENCE GGLGQALRDW LPPGFRQRLV APQGDSAQGA LLLLQ 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 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.297 177.300 -0.005 0.000 1.155 8 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 8 P CB 0.000 31.702 31.700 0.003 0.000 0.726 9 S N -0.002 115.701 115.700 0.005 0.000 2.357 9 S HA 0.064 4.534 4.470 0.001 0.000 0.221 9 S C 1.124 175.729 174.600 0.008 0.000 1.031 9 S CA 0.160 58.364 58.200 0.007 0.000 0.982 9 S CB -0.388 62.823 63.200 0.018 0.000 0.853 9 S HN 0.358 nan 8.310 nan 0.000 0.458 10 I N 2.547 123.132 120.570 0.025 0.000 2.662 10 I HA 0.106 4.276 4.170 0.001 0.000 0.285 10 I C 0.780 176.887 176.117 -0.016 0.000 1.161 10 I CA 0.579 61.904 61.300 0.041 0.000 1.415 10 I CB 0.456 38.496 38.000 0.067 0.000 1.385 10 I HN 0.332 nan 8.210 nan 0.000 0.552 11 R N 5.340 125.794 120.500 -0.076 0.000 2.394 11 R HA 0.240 4.580 4.340 0.001 0.000 0.220 11 R C -0.771 175.278 176.300 -0.419 0.000 0.887 11 R CA -0.050 55.870 56.100 -0.301 0.000 1.034 11 R CB 0.528 30.530 30.300 -0.498 0.000 1.179 11 R HN 0.676 nan 8.270 nan 0.000 0.561 12 Y N 0.045 120.440 120.300 0.158 0.000 2.477 12 Y HA 0.450 5.000 4.550 0.001 0.000 0.347 12 Y C -0.712 175.278 175.900 0.149 0.000 0.981 12 Y CA -1.134 57.069 58.100 0.172 0.000 1.033 12 Y CB 2.051 40.680 38.460 0.281 0.000 1.245 12 Y HN -0.214 nan 8.280 nan 0.000 0.455 13 L N 4.885 126.281 121.223 0.288 0.000 2.305 13 L HA 0.603 4.943 4.340 0.001 0.000 0.284 13 L C -0.910 176.061 176.870 0.167 0.000 1.013 13 L CA -0.578 54.377 54.840 0.191 0.000 0.819 13 L CB 1.476 43.621 42.059 0.144 0.000 1.227 13 L HN 0.533 nan 8.230 nan 0.000 0.417 14 I N 2.137 122.779 120.570 0.119 0.000 2.433 14 I HA 0.507 4.677 4.170 0.001 0.000 0.292 14 I C 0.428 176.571 176.117 0.042 0.000 1.001 14 I CA -0.442 60.901 61.300 0.072 0.000 1.119 14 I CB 2.037 40.079 38.000 0.070 0.000 1.289 14 I HN 0.624 nan 8.210 nan 0.000 0.438 15 G N 5.697 114.522 108.800 0.042 0.000 2.437 15 G HA2 0.614 4.574 3.960 0.001 0.000 0.315 15 G HA3 0.614 4.574 3.960 0.001 0.000 0.315 15 G C -0.939 173.964 174.900 0.004 0.000 1.210 15 G CA -0.322 44.793 45.100 0.024 0.000 0.943 15 G HN 0.335 nan 8.290 nan 0.000 0.471 16 V N 2.196 122.103 119.914 -0.013 0.000 2.495 16 V HA 0.479 4.599 4.120 0.001 0.000 0.298 16 V C -0.959 175.109 176.094 -0.043 0.000 1.031 16 V CA -0.783 61.502 62.300 -0.025 0.000 0.871 16 V CB 2.045 33.849 31.823 -0.031 0.000 0.988 16 V HN 0.817 nan 8.190 nan 0.000 0.432 17 D N 3.047 123.422 120.400 -0.041 0.000 2.462 17 D HA 0.618 5.258 4.640 0.001 0.000 0.245 17 D C -0.006 176.260 176.300 -0.057 0.000 1.122 17 D CA 0.020 53.991 54.000 -0.048 0.000 0.864 17 D CB 1.456 42.236 40.800 -0.034 0.000 1.098 17 D HN 0.781 nan 8.370 nan 0.000 0.541 18 G N 1.479 110.228 108.800 -0.086 0.000 2.495 18 G HA2 0.733 4.693 3.960 0.001 0.000 0.318 18 G HA3 0.733 4.693 3.960 0.001 0.000 0.318 18 G C -0.257 174.590 174.900 -0.088 0.000 1.257 18 G CA -0.428 44.615 45.100 -0.095 0.000 0.962 18 G HN 0.642 nan 8.290 nan 0.000 0.483 19 G N -0.529 108.231 108.800 -0.066 0.000 2.731 19 G HA2 0.525 4.485 3.960 0.001 0.000 0.309 19 G HA3 0.525 4.485 3.960 0.001 0.000 0.309 19 G C 0.729 175.604 174.900 -0.043 0.000 1.273 19 G CA 0.470 45.539 45.100 -0.051 0.000 0.798 19 G HN 1.135 nan 8.290 nan 0.000 0.509 20 G N -0.964 107.819 108.800 -0.029 0.000 2.511 20 G HA2 0.128 4.089 3.960 0.001 0.000 0.217 20 G HA3 0.128 4.089 3.960 0.001 0.000 0.217 20 G C 1.703 176.591 174.900 -0.020 0.000 1.133 20 G CA 2.348 47.431 45.100 -0.028 0.000 0.792 20 G HN 1.168 nan 8.290 nan 0.000 0.539 21 T N -2.491 112.054 114.554 -0.014 0.000 2.985 21 T HA 0.455 4.805 4.350 0.001 0.000 0.266 21 T C 1.156 175.851 174.700 -0.008 0.000 1.076 21 T CA 1.138 63.234 62.100 -0.007 0.000 1.135 21 T CB 0.282 69.150 68.868 -0.001 0.000 0.890 21 T HN 0.988 nan 8.240 nan 0.000 0.480 22 G N -0.581 108.210 108.800 -0.015 0.000 2.345 22 G HA2 0.422 4.382 3.960 0.001 0.000 0.285 22 G HA3 0.422 4.382 3.960 0.001 0.000 0.285 22 G C -1.564 173.324 174.900 -0.020 0.000 1.297 22 G CA -0.471 44.621 45.100 -0.013 0.000 0.875 22 G HN 0.258 nan 8.290 nan 0.000 0.506 23 T N 0.974 115.520 114.554 -0.013 0.000 2.881 23 T HA 0.695 5.046 4.350 0.001 0.000 0.290 23 T C -0.367 174.327 174.700 -0.010 0.000 1.000 23 T CA -0.557 61.534 62.100 -0.016 0.000 0.978 23 T CB 1.518 70.383 68.868 -0.005 0.000 0.997 23 T HN 0.592 nan 8.240 nan 0.000 0.443 24 R N 2.532 123.023 120.500 -0.016 0.000 2.562 24 R HA 0.728 5.069 4.340 0.001 0.000 0.298 24 R C -0.921 175.371 176.300 -0.014 0.000 0.961 24 R CA -0.778 55.313 56.100 -0.014 0.000 0.881 24 R CB 2.018 32.308 30.300 -0.016 0.000 1.159 24 R HN 0.514 nan 8.270 nan 0.000 0.450 25 I N 2.282 122.842 120.570 -0.016 0.000 2.533 25 I HA 0.415 4.585 4.170 0.001 0.000 0.290 25 I C -0.343 175.752 176.117 -0.037 0.000 1.056 25 I CA -0.826 60.463 61.300 -0.019 0.000 1.057 25 I CB 2.385 40.377 38.000 -0.013 0.000 1.240 25 I HN 0.363 nan 8.210 nan 0.000 0.423 26 R N 4.978 125.464 120.500 -0.024 0.000 2.310 26 R HA 0.550 4.890 4.340 0.001 0.000 0.324 26 R C -1.316 174.953 176.300 -0.051 0.000 0.955 26 R CA -0.844 55.236 56.100 -0.032 0.000 0.830 26 R CB 1.979 32.316 30.300 0.061 0.000 1.154 26 R HN 0.336 nan 8.270 nan 0.000 0.458 27 L N 3.764 124.868 121.223 -0.197 0.000 2.287 27 L HA 0.413 4.754 4.340 0.001 0.000 0.287 27 L C -0.871 175.807 176.870 -0.319 0.000 1.022 27 L CA -0.067 54.632 54.840 -0.236 0.000 0.814 27 L CB 0.701 42.513 42.059 -0.412 0.000 1.217 27 L HN 0.587 nan 8.230 nan 0.000 0.420 28 H N 2.886 121.950 119.070 -0.010 0.000 2.834 28 H HA 0.731 5.287 4.556 0.001 0.000 0.369 28 H C -0.772 174.635 175.328 0.133 0.000 1.174 28 H CA -0.538 55.535 56.048 0.042 0.000 1.165 28 H CB 2.109 31.889 29.762 0.031 0.000 1.820 28 H HN 0.774 nan 8.280 nan 0.000 0.558 29 A N 0.343 123.318 122.820 0.257 0.000 2.279 29 A HA 0.233 4.554 4.320 0.001 0.000 0.303 29 A C 1.316 178.973 177.584 0.122 0.000 1.108 29 A CA 0.077 52.227 52.037 0.188 0.000 0.830 29 A CB 0.307 19.383 19.000 0.126 0.000 1.106 29 A HN 0.805 nan 8.150 nan 0.000 0.493 30 S N 0.186 115.913 115.700 0.045 0.000 2.441 30 S HA -0.220 4.251 4.470 0.001 0.000 0.242 30 S C 0.827 175.443 174.600 0.027 0.000 1.018 30 S CA 1.787 60.004 58.200 0.029 0.000 0.988 30 S CB -0.470 62.721 63.200 -0.014 0.000 0.778 30 S HN 0.844 nan 8.310 nan 0.000 0.498 31 D N -0.399 120.020 120.400 0.032 0.000 2.349 31 D HA 0.316 4.957 4.640 0.001 0.000 0.214 31 D C 1.409 177.726 176.300 0.029 0.000 1.063 31 D CA 0.569 54.584 54.000 0.025 0.000 0.847 31 D CB -0.299 40.513 40.800 0.021 0.000 0.933 31 D HN 0.571 nan 8.370 nan 0.000 0.513 32 G N -0.290 108.540 108.800 0.050 0.000 2.232 32 G HA2 -0.257 3.703 3.960 0.001 0.000 0.226 32 G HA3 -0.257 3.703 3.960 0.001 0.000 0.226 32 G C 0.511 175.506 174.900 0.158 0.000 0.996 32 G CA 0.080 45.196 45.100 0.026 0.000 0.626 32 G HN 0.424 nan 8.290 nan 0.000 0.509 33 T N 4.838 119.485 114.554 0.155 0.000 2.933 33 T HA 0.407 4.757 4.350 0.001 0.000 0.306 33 T C -1.906 172.940 174.700 0.243 0.000 1.045 33 T CA 0.620 62.817 62.100 0.161 0.000 1.143 33 T CB 1.282 70.207 68.868 0.096 0.000 1.003 33 T HN 0.338 nan 8.240 nan 0.000 0.540 34 P HA 0.198 nan 4.420 nan 0.000 0.276 34 P C 0.196 177.406 177.300 -0.149 0.000 1.253 34 P CA -0.155 62.874 63.100 -0.118 0.000 0.766 34 P CB 0.826 32.514 31.700 -0.019 0.000 0.845 35 L N 2.284 123.348 121.223 -0.265 0.000 2.362 35 L HA 0.437 4.777 4.340 0.001 0.000 0.204 35 L C 1.200 177.959 176.870 -0.186 0.000 1.060 35 L CA 0.641 55.384 54.840 -0.162 0.000 0.827 35 L CB -0.104 41.869 42.059 -0.144 0.000 1.027 35 L HN 0.467 nan 8.230 nan 0.000 0.474 39 E N 0.299 120.494 120.200 -0.009 0.000 2.238 39 E HA 0.645 4.995 4.350 0.001 0.000 0.267 39 E C 0.270 176.873 176.600 0.005 0.000 0.887 39 E CA -0.554 55.844 56.400 -0.004 0.000 0.769 39 E CB 2.416 32.113 29.700 -0.005 0.000 1.187 39 E HN 0.979 nan 8.360 nan 0.000 0.416 40 G N 1.018 109.823 108.800 0.008 0.000 3.243 40 G HA2 0.623 4.583 3.960 0.001 0.000 0.248 40 G HA3 0.623 4.583 3.960 0.001 0.000 0.248 40 G C -0.222 174.684 174.900 0.010 0.000 1.267 40 G CA -0.330 44.779 45.100 0.015 0.000 0.906 40 G HN 0.482 nan 8.290 nan 0.000 0.592 41 G N -0.947 107.862 108.800 0.014 0.000 2.588 41 G HA2 0.603 4.563 3.960 0.001 0.000 0.281 41 G HA3 0.603 4.563 3.960 0.001 0.000 0.281 41 G C 0.429 175.328 174.900 -0.001 0.000 1.236 41 G CA 0.455 45.559 45.100 0.007 0.000 0.969 41 G HN 1.212 nan 8.290 nan 0.000 0.504 42 A N -0.639 122.175 122.820 -0.010 0.000 2.498 42 A HA 0.466 4.787 4.320 0.001 0.000 0.239 42 A C 1.107 178.672 177.584 -0.031 0.000 1.068 42 A CA 0.613 52.636 52.037 -0.024 0.000 0.766 42 A CB 0.270 19.253 19.000 -0.028 0.000 1.003 42 A HN 1.553 nan 8.150 nan 0.000 0.497 43 S N 0.777 116.445 115.700 -0.054 0.000 3.031 43 S HA 0.502 4.972 4.470 0.001 0.000 0.253 43 S C 0.416 174.935 174.600 -0.135 0.000 0.996 43 S CA 0.294 58.447 58.200 -0.079 0.000 1.098 43 S CB -0.319 62.834 63.200 -0.078 0.000 1.042 43 S HN 1.609 nan 8.310 nan 0.000 0.593 44 A N 1.800 124.553 122.820 -0.112 0.000 2.520 44 A HA 0.499 4.820 4.320 0.001 0.000 0.245 44 A C 1.274 178.752 177.584 -0.176 0.000 1.072 44 A CA -0.330 51.636 52.037 -0.119 0.000 0.761 44 A CB -0.222 18.738 19.000 -0.066 0.000 1.004 44 A HN 0.600 nan 8.150 nan 0.000 0.499 45 L N 2.743 123.841 121.223 -0.209 0.000 2.261 45 L HA -0.203 4.138 4.340 0.001 0.000 0.216 45 L C 2.690 179.168 176.870 -0.653 0.000 1.114 45 L CA 1.672 56.308 54.840 -0.340 0.000 0.777 45 L CB -0.477 41.458 42.059 -0.206 0.000 0.910 45 L HN 0.986 nan 8.230 nan 0.000 0.440 46 S N -0.944 114.516 115.700 -0.399 0.000 2.474 46 S HA -0.193 4.277 4.470 0.001 0.000 0.235 46 S C 1.566 175.955 174.600 -0.352 0.000 0.997 46 S CA 0.657 58.600 58.200 -0.429 0.000 0.949 46 S CB -0.174 63.087 63.200 0.102 0.000 0.766 46 S HN 0.560 nan 8.310 nan 0.000 0.517 47 Q N 1.021 120.658 119.800 -0.272 0.000 2.220 47 Q HA 0.444 4.784 4.340 0.001 0.000 0.205 47 Q C 0.273 176.156 176.000 -0.196 0.000 0.865 47 Q CA 0.062 55.755 55.803 -0.183 0.000 0.960 47 Q CB 0.751 29.422 28.738 -0.112 0.000 1.097 47 Q HN 0.692 nan 8.270 nan 0.000 0.493 48 G N 0.494 109.111 108.800 -0.304 0.000 3.326 48 G HA2 -0.130 3.830 3.960 0.001 0.000 0.681 48 G HA3 -0.130 3.830 3.960 0.001 0.000 0.681 48 G C -0.140 174.658 174.900 -0.170 0.000 1.255 48 G CA -0.991 43.970 45.100 -0.233 0.000 0.976 48 G HN 0.064 nan 8.290 nan 0.000 0.563 49 I N 2.128 122.607 120.570 -0.151 0.000 2.179 49 I HA -0.068 4.102 4.170 0.001 0.000 0.242 49 I C 3.131 179.329 176.117 0.135 0.000 1.088 49 I CA 2.845 64.159 61.300 0.023 0.000 1.357 49 I CB -0.688 37.353 38.000 0.070 0.000 1.051 49 I HN 0.912 nan 8.210 nan 0.000 0.409 50 A N 0.105 122.982 122.820 0.096 0.000 1.902 50 A HA -0.196 4.124 4.320 0.001 0.000 0.217 50 A C 2.279 179.940 177.584 0.127 0.000 1.181 50 A CA 1.497 53.611 52.037 0.129 0.000 0.623 50 A CB -0.441 18.595 19.000 0.060 0.000 0.818 50 A HN 0.244 nan 8.150 nan 0.000 0.443 51 K N 0.015 120.451 120.400 0.059 0.000 2.097 51 K HA -0.096 4.225 4.320 0.001 0.000 0.206 51 K C 2.345 178.988 176.600 0.072 0.000 1.049 51 K CA 1.351 57.664 56.287 0.044 0.000 0.933 51 K CB -0.806 31.690 32.500 -0.008 0.000 0.717 51 K HN 0.470 nan 8.250 nan 0.000 0.442 52 S N 0.008 115.751 115.700 0.072 0.000 2.348 52 S HA -0.149 4.322 4.470 0.001 0.000 0.221 52 S C 1.874 176.585 174.600 0.185 0.000 1.033 52 S CA 1.086 59.329 58.200 0.072 0.000 1.010 52 S CB -0.333 62.885 63.200 0.030 0.000 0.891 52 S HN 0.462 nan 8.310 nan 0.000 0.442 53 W N 2.217 123.640 121.300 0.206 0.000 2.335 53 W HA -0.218 4.442 4.660 0.000 0.000 0.311 53 W C 2.761 179.325 176.519 0.076 0.000 1.213 53 W CA 1.319 58.731 57.345 0.112 0.000 1.274 53 W CB -0.330 29.091 29.460 -0.066 0.000 1.148 53 W HN 0.582 nan 8.180 nan 0.000 0.498 54 Q N -0.454 119.530 119.800 0.308 0.000 2.170 54 Q HA -0.137 4.203 4.340 0.001 0.000 0.203 54 Q C 2.148 178.241 176.000 0.155 0.000 0.976 54 Q CA 1.607 57.521 55.803 0.184 0.000 0.858 54 Q CB -0.851 27.952 28.738 0.109 0.000 0.907 54 Q HN 0.216 nan 8.270 nan 0.000 0.433 55 A N 1.237 124.139 122.820 0.138 0.000 1.898 55 A HA -0.062 4.259 4.320 0.001 0.000 0.216 55 A C 2.354 180.009 177.584 0.118 0.000 1.181 55 A CA 1.333 53.427 52.037 0.095 0.000 0.620 55 A CB -0.727 18.306 19.000 0.055 0.000 0.819 55 A HN 0.229 nan 8.150 nan 0.000 0.442 56 V N 0.336 120.351 119.914 0.167 0.000 2.237 56 V HA -0.269 3.851 4.120 0.001 0.000 0.245 56 V C 2.596 178.841 176.094 0.251 0.000 1.046 56 V CA 2.077 64.493 62.300 0.194 0.000 1.007 56 V CB -0.895 31.069 31.823 0.234 0.000 0.638 56 V HN 0.574 nan 8.190 nan 0.000 0.445 57 L N 0.127 121.554 121.223 0.339 0.000 2.079 57 L HA -0.199 4.141 4.340 0.001 0.000 0.210 57 L C 2.713 179.689 176.870 0.176 0.000 1.081 57 L CA 1.936 56.944 54.840 0.281 0.000 0.752 57 L CB -0.742 41.457 42.059 0.234 0.000 0.896 57 L HN 0.426 nan 8.230 nan 0.000 0.433 58 S N -0.841 114.943 115.700 0.140 0.000 2.382 58 S HA -0.171 4.299 4.470 0.001 0.000 0.228 58 S C 1.955 176.608 174.600 0.088 0.000 1.027 58 S CA 1.942 60.198 58.200 0.094 0.000 0.991 58 S CB -0.185 63.059 63.200 0.074 0.000 0.823 58 S HN 0.440 nan 8.310 nan 0.000 0.469 59 T N 2.326 116.935 114.554 0.093 0.000 2.904 59 T HA 0.116 4.467 4.350 0.001 0.000 0.267 59 T C 1.699 176.445 174.700 0.076 0.000 1.059 59 T CA 0.851 62.992 62.100 0.068 0.000 1.137 59 T CB -0.278 68.623 68.868 0.055 0.000 0.879 59 T HN 0.293 nan 8.240 nan 0.000 0.467 60 L N 0.768 122.066 121.223 0.125 0.000 2.027 60 L HA -0.081 4.259 4.340 0.001 0.000 0.206 60 L C 2.742 179.738 176.870 0.210 0.000 1.074 60 L CA 1.649 56.584 54.840 0.159 0.000 0.745 60 L CB -0.327 41.890 42.059 0.264 0.000 0.898 60 L HN 0.332 nan 8.230 nan 0.000 0.433 61 E N -0.285 120.028 120.200 0.188 0.000 2.118 61 E HA -0.254 4.096 4.350 0.001 0.000 0.195 61 E C 2.049 178.730 176.600 0.135 0.000 0.992 61 E CA 1.226 57.727 56.400 0.169 0.000 0.804 61 E CB 0.018 29.772 29.700 0.090 0.000 0.741 61 E HN 0.569 nan 8.360 nan 0.000 0.458 62 A N 1.027 123.899 122.820 0.086 0.000 1.898 62 A HA -0.075 4.245 4.320 0.001 0.000 0.216 62 A C 2.386 179.985 177.584 0.025 0.000 1.181 62 A CA 1.651 53.717 52.037 0.048 0.000 0.620 62 A CB -0.759 18.259 19.000 0.030 0.000 0.819 62 A HN 0.408 nan 8.150 nan 0.000 0.442 63 A N -0.990 121.827 122.820 -0.005 0.000 1.883 63 A HA -0.075 4.246 4.320 0.001 0.000 0.217 63 A C 2.006 179.500 177.584 -0.149 0.000 1.186 63 A CA 1.572 53.544 52.037 -0.109 0.000 0.624 63 A CB -0.852 18.033 19.000 -0.192 0.000 0.822 63 A HN 0.484 nan 8.150 nan 0.000 0.444 64 F N -0.082 119.820 119.950 -0.080 0.000 2.161 64 F HA -0.233 4.294 4.527 0.001 0.000 0.300 64 F C 2.803 178.561 175.800 -0.071 0.000 1.089 64 F CA 1.966 59.898 58.000 -0.114 0.000 1.282 64 F CB -0.259 38.658 39.000 -0.138 0.000 1.010 64 F HN 0.293 nan 8.300 nan 0.000 0.485 65 Q N -0.337 119.539 119.800 0.126 0.000 2.084 65 Q HA -0.248 4.092 4.340 0.001 0.000 0.202 65 Q C 2.096 178.114 176.000 0.031 0.000 0.978 65 Q CA 1.542 57.385 55.803 0.068 0.000 0.844 65 Q CB -0.238 28.529 28.738 0.049 0.000 0.898 65 Q HN 0.518 nan 8.270 nan 0.000 0.426 66 Q N -0.709 119.093 119.800 0.004 0.000 2.369 66 Q HA -0.013 4.327 4.340 0.001 0.000 0.206 66 Q C 1.534 177.520 176.000 -0.024 0.000 0.963 66 Q CA 0.848 56.642 55.803 -0.015 0.000 0.894 66 Q CB 0.148 28.867 28.738 -0.032 0.000 0.965 66 Q HN 0.297 nan 8.270 nan 0.000 0.475 67 A N 0.068 122.869 122.820 -0.031 0.000 2.238 67 A HA 0.267 4.587 4.320 0.001 0.000 0.208 67 A C 1.493 179.088 177.584 0.019 0.000 1.177 67 A CA 0.654 52.672 52.037 -0.032 0.000 0.804 67 A CB -0.342 18.605 19.000 -0.089 0.000 0.823 67 A HN 0.412 nan 8.150 nan 0.000 0.482 68 G N -1.034 107.785 108.800 0.032 0.000 2.179 68 G HA2 -0.234 3.727 3.960 0.001 0.000 0.257 68 G HA3 -0.234 3.727 3.960 0.001 0.000 0.257 68 G C 0.009 174.950 174.900 0.068 0.000 1.010 68 G CA 0.695 45.820 45.100 0.042 0.000 0.736 68 G HN 0.478 nan 8.290 nan 0.000 0.513 69 L N 0.794 122.079 121.223 0.103 0.000 2.334 69 L HA 0.608 4.949 4.340 0.001 0.000 0.272 69 L C -1.435 175.498 176.870 0.105 0.000 1.020 69 L CA -2.389 52.538 54.840 0.144 0.000 0.812 69 L CB 1.719 43.929 42.059 0.252 0.000 1.264 69 L HN -0.029 nan 8.230 nan 0.000 0.439 70 P HA 0.171 nan 4.420 nan 0.000 0.277 70 P C -0.802 176.418 177.300 -0.133 0.000 1.240 70 P CA -0.495 62.597 63.100 -0.014 0.000 0.798 70 P CB 1.023 32.720 31.700 -0.006 0.000 0.979 71 A N 1.863 124.588 122.820 -0.158 0.000 2.591 71 A HA 0.340 4.660 4.320 0.001 0.000 0.244 71 A C 0.735 178.070 177.584 -0.415 0.000 1.031 71 A CA 0.416 52.279 52.037 -0.290 0.000 0.767 71 A CB -0.851 18.047 19.000 -0.171 0.000 0.942 71 A HN 0.708 nan 8.150 nan 0.000 0.514 72 A N 4.548 126.890 122.820 -0.796 0.000 2.295 72 A HA 0.795 5.115 4.320 0.001 0.000 0.318 72 A C -1.835 175.542 177.584 -0.345 0.000 1.134 72 A CA -1.413 50.254 52.037 -0.618 0.000 0.827 72 A CB 0.181 18.545 19.000 -1.061 0.000 1.136 72 A HN 0.814 nan 8.150 nan 0.000 0.493 73 P HA 0.416 nan 4.420 nan 0.000 0.288 73 P C 0.525 177.750 177.300 -0.125 0.000 1.267 73 P CA 0.013 63.029 63.100 -0.140 0.000 0.815 73 P CB 1.743 33.392 31.700 -0.085 0.000 0.989 74 A N 2.889 125.564 122.820 -0.243 0.000 1.940 74 A HA -0.183 4.138 4.320 0.001 0.000 0.219 74 A C 2.148 179.658 177.584 -0.124 0.000 1.176 74 A CA 2.201 54.005 52.037 -0.388 0.000 0.631 74 A CB -1.555 16.975 19.000 -0.783 0.000 0.814 74 A HN 0.692 nan 8.150 nan 0.000 0.446 75 S N -0.223 115.427 115.700 -0.084 0.000 2.440 75 S HA 0.081 4.552 4.470 0.001 0.000 0.238 75 S C 1.581 176.219 174.600 0.063 0.000 1.010 75 S CA 1.118 59.317 58.200 -0.002 0.000 0.972 75 S CB -0.436 62.751 63.200 -0.023 0.000 0.774 75 S HN 0.980 nan 8.310 nan 0.000 0.501 76 A N -0.442 122.433 122.820 0.093 0.000 2.345 76 A HA 0.483 4.803 4.320 0.001 0.000 0.225 76 A C 0.576 178.316 177.584 0.260 0.000 1.243 76 A CA -0.319 51.799 52.037 0.135 0.000 0.875 76 A CB -0.429 18.649 19.000 0.129 0.000 0.929 76 A HN 0.577 nan 8.150 nan 0.000 0.502 77 C N 0.049 119.545 119.300 0.327 0.000 2.417 77 C HA 0.779 5.240 4.460 0.001 0.000 0.324 77 C C 0.525 175.759 174.990 0.407 0.000 1.240 77 C CA -0.843 58.450 59.018 0.459 0.000 1.632 77 C CB 0.955 29.077 27.740 0.636 0.000 2.241 77 C HN 0.574 nan 8.230 nan 0.000 0.499 78 A N 3.554 126.542 122.820 0.280 0.000 2.273 78 A HA 0.780 5.100 4.320 0.001 0.000 0.315 78 A C -0.788 176.845 177.584 0.082 0.000 1.256 78 A CA -0.243 51.892 52.037 0.164 0.000 0.851 78 A CB 0.406 19.481 19.000 0.124 0.000 1.172 78 A HN 0.953 nan 8.150 nan 0.000 0.508 79 I N 2.658 123.192 120.570 -0.060 0.000 2.465 79 I HA 0.695 4.866 4.170 0.001 0.000 0.291 79 I C 0.200 176.258 176.117 -0.097 0.000 1.014 79 I CA -0.500 60.706 61.300 -0.156 0.000 1.093 79 I CB 1.835 39.520 38.000 -0.525 0.000 1.267 79 I HN 0.654 nan 8.210 nan 0.000 0.431 80 G N 7.571 116.345 108.800 -0.044 0.000 2.470 80 G HA2 0.679 4.639 3.960 0.001 0.000 0.320 80 G HA3 0.679 4.639 3.960 0.001 0.000 0.320 80 G C -1.605 173.276 174.900 -0.032 0.000 1.245 80 G CA -0.409 44.679 45.100 -0.020 0.000 0.935 80 G HN 0.409 nan 8.290 nan 0.000 0.476 81 L N 1.304 122.503 121.223 -0.039 0.000 2.408 81 L HA 0.733 5.074 4.340 0.001 0.000 0.268 81 L C 0.444 177.265 176.870 -0.082 0.000 0.986 81 L CA -0.673 54.122 54.840 -0.075 0.000 0.820 81 L CB 2.577 44.559 42.059 -0.128 0.000 1.303 81 L HN 0.610 nan 8.230 nan 0.000 0.411 82 G N 3.352 112.103 108.800 -0.083 0.000 2.788 82 G HA2 0.694 4.654 3.960 0.001 0.000 0.327 82 G HA3 0.694 4.654 3.960 0.001 0.000 0.327 82 G C -0.907 173.926 174.900 -0.113 0.000 1.249 82 G CA -0.238 44.823 45.100 -0.065 0.000 1.063 82 G HN 0.375 nan 8.290 nan 0.000 0.497 83 L N 1.538 122.660 121.223 -0.168 0.000 2.354 83 L HA 0.525 4.865 4.340 0.001 0.000 0.269 83 L C 0.583 177.371 176.870 -0.137 0.000 1.005 83 L CA -1.165 53.552 54.840 -0.206 0.000 0.819 83 L CB 2.414 44.231 42.059 -0.403 0.000 1.311 83 L HN 0.514 nan 8.230 nan 0.000 0.423 84 S N 0.445 116.087 115.700 -0.096 0.000 2.465 84 S HA 0.611 5.081 4.470 0.001 0.000 0.280 84 S C 0.289 174.893 174.600 0.005 0.000 1.232 84 S CA -0.068 58.116 58.200 -0.027 0.000 1.066 84 S CB 0.597 63.795 63.200 -0.003 0.000 0.929 84 S HN 1.013 nan 8.310 nan 0.000 0.494 85 G N 1.518 110.358 108.800 0.067 0.000 2.040 85 G HA2 0.264 4.225 3.960 0.001 0.000 0.195 85 G HA3 0.264 4.225 3.960 0.001 0.000 0.195 85 G C -0.633 174.356 174.900 0.149 0.000 2.245 85 G CA -0.689 44.530 45.100 0.199 0.000 0.911 85 G HN 0.960 nan 8.290 nan 0.000 0.566 86 V N 1.244 121.254 119.914 0.159 0.000 3.099 86 V HA 0.201 4.321 4.120 0.001 0.000 0.356 86 V C 1.099 177.201 176.094 0.013 0.000 1.364 86 V CA -0.131 62.197 62.300 0.046 0.000 1.229 86 V CB -0.626 31.176 31.823 -0.035 0.000 1.227 86 V HN 0.663 nan 8.190 nan 0.000 0.493 87 H N 0.965 119.966 119.070 -0.115 0.000 2.592 87 H HA 0.189 4.745 4.556 0.001 0.000 0.291 87 H C 0.740 176.035 175.328 -0.055 0.000 1.052 87 H CA -0.948 54.983 56.048 -0.194 0.000 1.175 87 H CB -0.888 28.632 29.762 -0.402 0.000 1.378 87 H HN 0.624 nan 8.280 nan 0.000 0.576 88 N N 2.014 120.757 118.700 0.071 0.000 1.830 88 N HA -0.233 4.507 4.740 0.001 0.000 0.322 88 N C 0.301 175.845 175.510 0.056 0.000 1.272 88 N CA 0.357 53.437 53.050 0.050 0.000 0.789 88 N CB 0.318 38.799 38.487 -0.009 0.000 1.014 88 N HN 0.159 nan 8.380 nan 0.000 0.502 89 R N -1.226 119.323 120.500 0.082 0.000 3.728 89 R HA -0.240 4.101 4.340 0.001 0.000 0.478 89 R C 0.554 176.920 176.300 0.109 0.000 0.932 89 R CA 1.711 57.859 56.100 0.080 0.000 1.317 89 R CB -2.123 28.204 30.300 0.045 0.000 1.987 89 R HN 0.907 nan 8.270 nan 0.000 0.509 90 Q N -1.593 118.297 119.800 0.151 0.000 2.341 90 Q HA 0.118 4.459 4.340 0.001 0.000 0.173 90 Q C 1.070 177.264 176.000 0.323 0.000 0.659 90 Q CA -0.111 55.811 55.803 0.198 0.000 0.776 90 Q CB -0.079 28.754 28.738 0.159 0.000 1.108 90 Q HN 0.148 nan 8.270 nan 0.000 0.538 91 W N 0.899 122.262 121.300 0.106 0.000 2.381 91 W HA 0.113 4.773 4.660 0.000 0.000 0.301 91 W C 2.187 178.746 176.519 0.067 0.000 1.205 91 W CA 1.445 58.794 57.345 0.008 0.000 1.285 91 W CB -0.763 28.583 29.460 -0.190 0.000 1.133 91 W HN 0.493 nan 8.180 nan 0.000 0.521 92 A N -0.038 122.973 122.820 0.318 0.000 1.968 92 A HA 0.045 4.365 4.320 0.001 0.000 0.217 92 A C 2.333 180.060 177.584 0.238 0.000 1.169 92 A CA 1.828 53.995 52.037 0.216 0.000 0.638 92 A CB -1.283 17.792 19.000 0.125 0.000 0.812 92 A HN 0.253 nan 8.150 nan 0.000 0.446 93 G N -0.402 108.522 108.800 0.207 0.000 2.408 93 G HA2 -0.188 3.773 3.960 0.001 0.000 0.217 93 G HA3 -0.188 3.773 3.960 0.001 0.000 0.217 93 G C 1.432 176.447 174.900 0.193 0.000 1.150 93 G CA 0.982 46.186 45.100 0.174 0.000 0.776 93 G HN 0.640 nan 8.290 nan 0.000 0.542 94 E N -0.526 119.805 120.200 0.219 0.000 2.047 94 E HA -0.057 4.293 4.350 0.001 0.000 0.191 94 E C 2.054 178.800 176.600 0.243 0.000 0.987 94 E CA 0.504 57.022 56.400 0.198 0.000 0.799 94 E CB -0.235 29.574 29.700 0.182 0.000 0.752 94 E HN 0.395 nan 8.360 nan 0.000 0.449 95 F N 2.310 122.345 119.950 0.141 0.000 2.120 95 F HA -0.246 4.282 4.527 0.001 0.000 0.300 95 F C 1.987 178.004 175.800 0.361 0.000 1.095 95 F CA 1.728 59.834 58.000 0.176 0.000 1.249 95 F CB 0.055 39.037 39.000 -0.031 0.000 0.995 95 F HN -0.022 nan 8.300 nan 0.000 0.480 96 E N -0.806 119.610 120.200 0.360 0.000 2.106 96 E HA -0.163 4.188 4.350 0.001 0.000 0.192 96 E C 2.358 179.069 176.600 0.184 0.000 0.984 96 E CA 1.308 57.878 56.400 0.283 0.000 0.806 96 E CB -0.250 29.587 29.700 0.230 0.000 0.750 96 E HN 0.324 nan 8.360 nan 0.000 0.458 97 S N 1.114 116.903 115.700 0.149 0.000 2.368 97 S HA -0.160 4.310 4.470 0.001 0.000 0.225 97 S C 1.777 176.397 174.600 0.033 0.000 1.030 97 S CA 0.994 59.244 58.200 0.085 0.000 0.999 97 S CB -0.109 63.140 63.200 0.082 0.000 0.844 97 S HN 0.264 nan 8.310 nan 0.000 0.459 98 Q N 0.580 120.406 119.800 0.044 0.000 2.482 98 Q HA 0.269 4.609 4.340 0.001 0.000 0.209 98 Q C 0.403 176.197 176.000 -0.343 0.000 0.961 98 Q CA -0.149 55.608 55.803 -0.077 0.000 0.945 98 Q CB -0.072 28.675 28.738 0.015 0.000 1.012 98 Q HN 0.481 nan 8.270 nan 0.000 0.515 99 A N 2.140 124.839 122.820 -0.202 0.000 2.425 99 A HA 0.321 4.641 4.320 0.001 0.000 0.249 99 A C -2.101 175.242 177.584 -0.402 0.000 1.084 99 A CA -1.091 50.704 52.037 -0.404 0.000 0.781 99 A CB 0.023 19.145 19.000 0.203 0.000 1.019 99 A HN 0.012 nan 8.150 nan 0.000 0.490 100 P HA 0.218 nan 4.420 nan 0.000 0.271 100 P C 0.690 177.795 177.300 -0.324 0.000 1.244 100 P CA 0.105 62.898 63.100 -0.513 0.000 0.793 100 P CB 0.475 31.709 31.700 -0.775 0.000 0.984 101 G N 0.931 109.541 108.800 -0.317 0.000 3.197 101 G HA2 0.155 4.115 3.960 0.001 0.000 0.257 101 G HA3 0.155 4.115 3.960 0.001 0.000 0.257 101 G C -0.240 174.575 174.900 -0.142 0.000 0.835 101 G CA -0.177 44.825 45.100 -0.165 0.000 2.001 101 G HN 0.247 nan 8.290 nan 0.000 0.625 102 F N 0.271 120.218 119.950 -0.006 0.000 2.490 102 F HA 0.298 4.826 4.527 0.001 0.000 0.336 102 F C 1.833 177.662 175.800 0.048 0.000 1.178 102 F CA 0.202 58.228 58.000 0.043 0.000 1.301 102 F CB 1.016 40.071 39.000 0.091 0.000 1.175 102 F HN 0.315 nan 8.300 nan 0.000 0.593 103 A N 2.423 125.405 122.820 0.269 0.000 1.972 103 A HA -0.049 4.271 4.320 0.001 0.000 0.219 103 A C 0.541 178.219 177.584 0.157 0.000 1.169 103 A CA 1.422 53.558 52.037 0.164 0.000 0.635 103 A CB -0.460 18.626 19.000 0.144 0.000 0.810 103 A HN 0.765 nan 8.150 nan 0.000 0.446 104 R N -2.377 118.241 120.500 0.196 0.000 2.633 104 R HA 0.684 5.024 4.340 0.001 0.000 0.255 104 R C -1.657 174.715 176.300 0.120 0.000 1.106 104 R CA -0.674 55.510 56.100 0.140 0.000 0.959 104 R CB 0.498 30.856 30.300 0.097 0.000 1.259 104 R HN 0.186 nan 8.270 nan 0.000 0.453 105 L N 1.369 122.654 121.223 0.104 0.000 2.408 105 L HA 0.700 5.040 4.340 0.001 0.000 0.268 105 L C -1.253 175.656 176.870 0.065 0.000 0.986 105 L CA -0.482 54.394 54.840 0.059 0.000 0.820 105 L CB 2.510 44.645 42.059 0.126 0.000 1.303 105 L HN 0.841 nan 8.230 nan 0.000 0.411 106 S N 5.047 120.770 115.700 0.039 0.000 2.707 106 S HA 0.560 5.030 4.470 0.001 0.000 0.303 106 S C -1.192 173.424 174.600 0.027 0.000 1.132 106 S CA -0.599 57.623 58.200 0.037 0.000 1.046 106 S CB 0.970 64.188 63.200 0.030 0.000 1.004 106 S HN 0.630 nan 8.310 nan 0.000 0.483 107 L N 4.063 125.302 121.223 0.027 0.000 2.331 107 L HA 0.960 5.300 4.340 0.001 0.000 0.275 107 L C -0.138 176.704 176.870 -0.046 0.000 1.022 107 L CA -0.279 54.557 54.840 -0.006 0.000 0.812 107 L CB 1.629 43.708 42.059 0.034 0.000 1.257 107 L HN 0.899 nan 8.230 nan 0.000 0.435 108 A N 1.032 123.811 122.820 -0.069 0.000 2.566 108 A HA 0.552 4.872 4.320 0.001 0.000 0.290 108 A C -0.531 177.017 177.584 -0.060 0.000 1.071 108 A CA -0.288 51.701 52.037 -0.080 0.000 0.658 108 A CB 1.190 20.170 19.000 -0.033 0.000 1.285 108 A HN 0.658 nan 8.150 nan 0.000 0.427 109 T N -0.933 113.599 114.554 -0.037 0.000 2.860 109 T HA 0.380 4.730 4.350 0.001 0.000 0.299 109 T C 0.645 175.357 174.700 0.020 0.000 1.045 109 T CA 0.541 62.633 62.100 -0.014 0.000 1.071 109 T CB 0.585 69.457 68.868 0.006 0.000 0.985 109 T HN 0.758 nan 8.240 nan 0.000 0.537 110 D N 0.498 120.894 120.400 -0.006 0.000 2.310 110 D HA 0.013 4.653 4.640 0.001 0.000 0.212 110 D C 1.999 178.311 176.300 0.020 0.000 0.965 110 D CA 1.009 55.005 54.000 -0.006 0.000 0.879 110 D CB -0.942 39.843 40.800 -0.027 0.000 0.921 110 D HN 0.717 nan 8.370 nan 0.000 0.510 111 G N -0.416 108.412 108.800 0.046 0.000 2.394 111 G HA2 -0.272 3.689 3.960 0.001 0.000 0.215 111 G HA3 -0.272 3.689 3.960 0.001 0.000 0.215 111 G C 1.504 176.466 174.900 0.103 0.000 1.165 111 G CA 0.499 45.637 45.100 0.063 0.000 0.784 111 G HN 0.358 nan 8.290 nan 0.000 0.535 112 Y N 2.256 122.561 120.300 0.007 0.000 2.200 112 Y HA -0.178 4.372 4.550 0.001 0.000 0.290 112 Y C 3.234 179.131 175.900 -0.006 0.000 1.137 112 Y CA 2.307 60.414 58.100 0.012 0.000 1.163 112 Y CB -0.101 38.325 38.460 -0.056 0.000 0.988 112 Y HN 0.301 nan 8.280 nan 0.000 0.518 113 T N -3.977 110.595 114.554 0.031 0.000 2.867 113 T HA -0.138 4.212 4.350 0.001 0.000 0.268 113 T C 1.708 176.351 174.700 -0.095 0.000 1.057 113 T CA 1.601 63.669 62.100 -0.052 0.000 1.136 113 T CB -0.863 68.002 68.868 -0.004 0.000 0.874 113 T HN 0.271 nan 8.240 nan 0.000 0.466 114 T N 1.928 116.443 114.554 -0.066 0.000 2.867 114 T HA 0.158 4.509 4.350 0.001 0.000 0.268 114 T C 1.781 176.412 174.700 -0.116 0.000 1.057 114 T CA 0.701 62.756 62.100 -0.075 0.000 1.136 114 T CB -0.393 68.449 68.868 -0.042 0.000 0.874 114 T HN 0.266 nan 8.240 nan 0.000 0.466 115 L N 0.621 121.764 121.223 -0.133 0.000 1.988 115 L HA -0.043 4.298 4.340 0.001 0.000 0.207 115 L C 2.339 179.097 176.870 -0.186 0.000 1.071 115 L CA 1.504 56.255 54.840 -0.147 0.000 0.744 115 L CB -0.374 41.575 42.059 -0.184 0.000 0.893 115 L HN 0.286 nan 8.230 nan 0.000 0.433 116 L N -0.549 120.497 121.223 -0.296 0.000 2.012 116 L HA -0.186 4.154 4.340 0.001 0.000 0.210 116 L C 2.628 179.413 176.870 -0.142 0.000 1.073 116 L CA 1.483 56.184 54.840 -0.231 0.000 0.748 116 L CB -1.302 40.601 42.059 -0.260 0.000 0.891 116 L HN 0.392 nan 8.230 nan 0.000 0.431 117 G N -0.528 108.189 108.800 -0.139 0.000 2.418 117 G HA2 -0.216 3.744 3.960 0.001 0.000 0.217 117 G HA3 -0.216 3.744 3.960 0.001 0.000 0.217 117 G C 1.792 176.599 174.900 -0.154 0.000 1.158 117 G CA 0.789 45.819 45.100 -0.117 0.000 0.771 117 G HN 0.467 nan 8.290 nan 0.000 0.545 118 A N 0.055 122.736 122.820 -0.231 0.000 1.908 118 A HA -0.091 4.229 4.320 0.001 0.000 0.218 118 A C 1.904 179.171 177.584 -0.528 0.000 1.181 118 A CA 1.559 53.352 52.037 -0.406 0.000 0.627 118 A CB -0.444 18.228 19.000 -0.548 0.000 0.818 118 A HN 0.473 nan 8.150 nan 0.000 0.445 119 H N -1.625 117.398 119.070 -0.078 0.000 2.528 119 H HA 0.313 4.869 4.556 0.001 0.000 0.282 119 H C 1.306 176.595 175.328 -0.066 0.000 1.097 119 H CA 0.090 56.096 56.048 -0.070 0.000 1.121 119 H CB -0.339 29.377 29.762 -0.076 0.000 1.590 119 H HN 0.584 nan 8.280 nan 0.000 0.553 120 G N 1.336 110.126 108.800 -0.017 0.000 2.390 120 G HA2 -0.268 3.692 3.960 0.001 0.000 0.299 120 G HA3 -0.268 3.692 3.960 0.001 0.000 0.299 120 G C 1.345 176.236 174.900 -0.014 0.000 1.002 120 G CA 0.822 45.907 45.100 -0.024 0.000 0.979 120 G HN 0.860 nan 8.290 nan 0.000 0.513 121 G N -2.343 106.444 108.800 -0.022 0.000 2.205 121 G HA2 -0.265 3.696 3.960 0.001 0.000 0.261 121 G HA3 -0.265 3.696 3.960 0.001 0.000 0.261 121 G C 0.500 175.396 174.900 -0.005 0.000 0.980 121 G CA 1.050 46.136 45.100 -0.024 0.000 0.632 121 G HN 0.980 nan 8.290 nan 0.000 0.533 122 Q N 0.603 120.410 119.800 0.012 0.000 2.318 122 Q HA 0.452 4.792 4.340 0.001 0.000 0.222 122 Q C -2.251 173.721 176.000 -0.045 0.000 1.003 122 Q CA -1.601 54.199 55.803 -0.006 0.000 0.936 122 Q CB 0.319 29.056 28.738 -0.002 0.000 1.204 122 Q HN 0.227 nan 8.270 nan 0.000 0.524 123 P HA 0.322 nan 4.420 nan 0.000 0.269 123 P C -0.501 176.632 177.300 -0.278 0.000 1.209 123 P CA 0.212 63.233 63.100 -0.132 0.000 0.776 123 P CB 0.582 32.233 31.700 -0.081 0.000 0.876 124 G N 0.799 109.381 108.800 -0.363 0.000 2.320 124 G HA2 0.458 4.419 3.960 0.001 0.000 0.297 124 G HA3 0.458 4.419 3.960 0.001 0.000 0.297 124 G C -1.732 172.958 174.900 -0.350 0.000 1.344 124 G CA -0.611 44.141 45.100 -0.580 0.000 0.851 124 G HN 0.647 nan 8.290 nan 0.000 0.567 125 I N -1.718 118.731 120.570 -0.201 0.000 2.934 125 I HA 0.933 5.104 4.170 0.001 0.000 0.306 125 I C -0.538 175.688 176.117 0.183 0.000 1.110 125 I CA -1.609 59.682 61.300 -0.015 0.000 1.019 125 I CB 2.327 40.305 38.000 -0.037 0.000 1.227 125 I HN 0.876 nan 8.210 nan 0.000 0.434 126 I N 1.750 122.387 120.570 0.113 0.000 3.074 126 I HA 0.803 4.974 4.170 0.001 0.000 0.310 126 I C -1.453 174.716 176.117 0.087 0.000 1.153 126 I CA -1.125 60.234 61.300 0.099 0.000 0.993 126 I CB 2.290 40.306 38.000 0.027 0.000 1.237 126 I HN 0.383 nan 8.210 nan 0.000 0.443 127 V N 2.840 122.811 119.914 0.095 0.000 2.482 127 V HA 0.771 4.892 4.120 0.001 0.000 0.295 127 V C -0.078 176.054 176.094 0.065 0.000 1.026 127 V CA -0.449 61.910 62.300 0.099 0.000 0.856 127 V CB 1.475 33.404 31.823 0.177 0.000 1.001 127 V HN 0.982 nan 8.190 nan 0.000 0.424 128 A N 6.112 128.958 122.820 0.043 0.000 2.258 128 A HA 0.865 5.185 4.320 0.001 0.000 0.316 128 A C -1.117 176.486 177.584 0.033 0.000 1.279 128 A CA -0.405 51.649 52.037 0.029 0.000 0.876 128 A CB 0.573 19.583 19.000 0.016 0.000 1.170 128 A HN 0.612 nan 8.150 nan 0.000 0.520 129 L N 3.084 124.328 121.223 0.034 0.000 2.280 129 L HA 0.747 5.087 4.340 0.001 0.000 0.287 129 L C 0.817 177.708 176.870 0.035 0.000 1.023 129 L CA 0.425 55.287 54.840 0.037 0.000 0.819 129 L CB 0.998 43.082 42.059 0.041 0.000 1.212 129 L HN 0.900 nan 8.230 nan 0.000 0.420 130 G N 1.029 109.854 108.800 0.042 0.000 3.100 130 G HA2 0.234 4.194 3.960 0.001 0.000 0.174 130 G HA3 0.234 4.194 3.960 0.001 0.000 0.174 130 G C 0.485 175.418 174.900 0.056 0.000 1.136 130 G CA 0.228 45.352 45.100 0.040 0.000 0.881 130 G HN 0.314 nan 8.290 nan 0.000 0.616 131 T N 0.352 114.936 114.554 0.051 0.000 2.833 131 T HA 0.203 4.553 4.350 0.001 0.000 0.269 131 T C 1.123 175.875 174.700 0.086 0.000 1.054 131 T CA 1.717 63.855 62.100 0.063 0.000 1.135 131 T CB -0.359 68.531 68.868 0.036 0.000 0.869 131 T HN 0.720 nan 8.240 nan 0.000 0.466 132 G N 0.101 108.946 108.800 0.075 0.000 3.175 132 G HA2 0.625 4.585 3.960 0.001 0.000 0.255 132 G HA3 0.625 4.585 3.960 0.001 0.000 0.255 132 G C -1.086 173.859 174.900 0.074 0.000 1.352 132 G CA -0.322 44.834 45.100 0.094 0.000 1.037 132 G HN 0.392 nan 8.290 nan 0.000 0.556 133 S N -1.747 113.994 115.700 0.068 0.000 2.570 133 S HA 0.799 5.270 4.470 0.001 0.000 0.270 133 S C -1.054 173.564 174.600 0.031 0.000 1.149 133 S CA -0.664 57.563 58.200 0.044 0.000 0.837 133 S CB 1.834 65.052 63.200 0.031 0.000 1.124 133 S HN 1.499 nan 8.310 nan 0.000 0.465 134 I N -0.306 120.277 120.570 0.021 0.000 2.836 134 I HA 0.643 4.813 4.170 0.001 0.000 0.298 134 I C -1.252 174.874 176.117 0.015 0.000 1.600 134 I CA -0.415 60.886 61.300 0.003 0.000 0.972 134 I CB 1.731 39.721 38.000 -0.015 0.000 1.385 134 I HN 1.127 nan 8.210 nan 0.000 0.520 135 G N 3.888 112.691 108.800 0.005 0.000 2.495 135 G HA2 0.722 4.682 3.960 0.001 0.000 0.318 135 G HA3 0.722 4.682 3.960 0.001 0.000 0.318 135 G C -1.706 173.195 174.900 0.000 0.000 1.257 135 G CA -0.310 44.802 45.100 0.019 0.000 0.962 135 G HN 0.557 nan 8.290 nan 0.000 0.483 136 E N -0.244 119.960 120.200 0.006 0.000 2.340 136 E HA 0.659 5.010 4.350 0.001 0.000 0.273 136 E C -0.895 175.663 176.600 -0.070 0.000 0.891 136 E CA -1.010 55.379 56.400 -0.019 0.000 0.757 136 E CB 2.783 32.541 29.700 0.097 0.000 1.231 136 E HN 0.704 nan 8.360 nan 0.000 0.439 137 A N 1.759 124.470 122.820 -0.182 0.000 2.515 137 A HA 0.684 5.004 4.320 0.001 0.000 0.298 137 A C -1.792 175.577 177.584 -0.357 0.000 1.059 137 A CA -0.638 51.202 52.037 -0.327 0.000 0.698 137 A CB 1.416 20.121 19.000 -0.492 0.000 1.289 137 A HN 0.370 nan 8.150 nan 0.000 0.404 138 L N 1.757 122.734 121.223 -0.410 0.000 2.376 138 L HA 0.759 5.099 4.340 0.001 0.000 0.275 138 L C -1.660 174.991 176.870 -0.365 0.000 0.987 138 L CA -0.320 54.406 54.840 -0.190 0.000 0.828 138 L CB 0.913 42.950 42.059 -0.037 0.000 1.249 138 L HN 0.657 nan 8.230 nan 0.000 0.409 139 Y N 4.954 125.272 120.300 0.031 0.000 2.519 139 Y HA 0.510 5.060 4.550 0.001 0.000 0.324 139 Y C -1.541 174.368 175.900 0.015 0.000 1.214 139 Y CA -1.956 56.150 58.100 0.010 0.000 1.260 139 Y CB 0.121 38.586 38.460 0.008 0.000 1.311 139 Y HN 0.505 nan 8.280 nan 0.000 0.505 140 P HA -0.172 nan 4.420 nan 0.000 0.219 140 P C 0.574 177.928 177.300 0.090 0.000 1.146 140 P CA 1.876 65.031 63.100 0.092 0.000 0.808 140 P CB 0.131 31.874 31.700 0.072 0.000 0.779 141 D N -1.669 118.798 120.400 0.112 0.000 2.324 141 D HA 0.036 4.676 4.640 0.001 0.000 0.235 141 D C 1.414 177.771 176.300 0.094 0.000 1.095 141 D CA 0.628 54.676 54.000 0.080 0.000 0.871 141 D CB -0.966 39.867 40.800 0.054 0.000 0.906 141 D HN 0.220 nan 8.370 nan 0.000 0.522 142 G N 0.075 108.947 108.800 0.120 0.000 2.212 142 G HA2 -0.326 3.635 3.960 0.001 0.000 0.266 142 G HA3 -0.326 3.635 3.960 0.001 0.000 0.266 142 G C 0.422 175.425 174.900 0.171 0.000 0.978 142 G CA 0.556 45.732 45.100 0.125 0.000 0.632 142 G HN 0.688 nan 8.290 nan 0.000 0.537 143 S N 0.167 115.988 115.700 0.201 0.000 2.580 143 S HA 0.460 4.931 4.470 0.001 0.000 0.266 143 S C 0.181 175.010 174.600 0.382 0.000 1.354 143 S CA 0.431 58.773 58.200 0.237 0.000 1.008 143 S CB 0.564 63.856 63.200 0.154 0.000 0.898 143 S HN 0.779 nan 8.310 nan 0.000 0.555 144 H N 2.591 121.802 119.070 0.235 0.000 2.768 144 H HA 0.576 5.132 4.556 0.001 0.000 0.371 144 H C -0.858 174.609 175.328 0.231 0.000 1.151 144 H CA -0.765 55.428 56.048 0.243 0.000 1.165 144 H CB 1.265 31.131 29.762 0.173 0.000 1.722 144 H HN 0.693 nan 8.280 nan 0.000 0.543 145 R N 1.868 122.088 120.500 -0.467 0.000 2.734 145 R HA 0.247 4.588 4.340 0.001 0.000 0.271 145 R C -1.063 174.994 176.300 -0.406 0.000 1.021 145 R CA -0.784 55.163 56.100 -0.256 0.000 0.893 145 R CB 2.804 33.169 30.300 0.108 0.000 1.244 145 R HN 0.886 nan 8.270 nan 0.000 0.464 146 E N 0.175 120.267 120.200 -0.181 0.000 2.413 146 E HA 0.807 5.157 4.350 0.001 0.000 0.277 146 E C -1.689 174.874 176.600 -0.061 0.000 0.958 146 E CA -1.155 55.172 56.400 -0.121 0.000 0.779 146 E CB 2.317 31.959 29.700 -0.097 0.000 1.278 146 E HN 0.584 nan 8.360 nan 0.000 0.456 147 A N 0.743 123.538 122.820 -0.041 0.000 2.556 147 A HA 0.878 5.199 4.320 0.001 0.000 0.294 147 A C 0.383 177.970 177.584 0.006 0.000 1.091 147 A CA -0.087 51.965 52.037 0.024 0.000 0.704 147 A CB 1.168 20.200 19.000 0.052 0.000 1.300 147 A HN 1.513 nan 8.150 nan 0.000 0.406 148 G N 0.136 109.009 108.800 0.121 0.000 2.645 148 G HA2 0.392 4.352 3.960 0.001 0.000 0.246 148 G HA3 0.392 4.352 3.960 0.001 0.000 0.246 148 G C 1.436 176.263 174.900 -0.121 0.000 1.322 148 G CA 1.114 46.291 45.100 0.128 0.000 0.898 148 G HN 2.909 nan 8.290 nan 0.000 0.573 149 G N -2.464 106.313 108.800 -0.039 0.000 2.295 149 G HA2 -0.169 3.791 3.960 0.001 0.000 0.287 149 G HA3 -0.169 3.791 3.960 0.001 0.000 0.287 149 G C 0.642 175.396 174.900 -0.243 0.000 1.055 149 G CA 1.281 46.310 45.100 -0.119 0.000 0.922 149 G HN 1.462 nan 8.290 nan 0.000 0.503 150 W N -0.055 121.265 121.300 0.034 0.000 3.211 150 W HA 0.476 5.136 4.660 0.000 0.000 0.292 150 W C 1.528 178.075 176.519 0.047 0.000 1.268 150 W CA 0.955 58.316 57.345 0.026 0.000 1.702 150 W CB 0.511 29.979 29.460 0.013 0.000 1.092 150 W HN 1.301 nan 8.180 nan 0.000 0.643 151 G N 0.114 109.055 108.800 0.235 0.000 2.692 151 G HA2 -0.268 3.692 3.960 0.001 0.000 0.686 151 G HA3 -0.268 3.692 3.960 0.001 0.000 0.686 151 G C -0.983 174.078 174.900 0.268 0.000 1.243 151 G CA -0.912 44.323 45.100 0.225 0.000 0.782 151 G HN 0.136 nan 8.290 nan 0.000 0.625 152 Y N 3.465 123.844 120.300 0.132 0.000 2.480 152 Y HA 0.500 5.050 4.550 0.001 0.000 0.338 152 Y C -0.205 175.760 175.900 0.108 0.000 1.220 152 Y CA -0.100 58.076 58.100 0.126 0.000 1.430 152 Y CB 1.210 39.748 38.460 0.130 0.000 1.311 152 Y HN 0.433 nan 8.280 nan 0.000 0.575 153 P HA 0.026 nan 4.420 nan 0.000 0.259 153 P C 0.872 178.072 177.300 -0.166 0.000 1.233 153 P CA 0.887 63.615 63.100 -0.620 0.000 0.827 153 P CB 0.375 31.469 31.700 -1.010 0.000 1.154 154 S N -0.742 114.914 115.700 -0.073 0.000 2.406 154 S HA 0.083 4.554 4.470 0.001 0.000 0.228 154 S C 1.480 176.121 174.600 0.068 0.000 1.020 154 S CA 0.918 59.111 58.200 -0.012 0.000 0.965 154 S CB -0.979 62.206 63.200 -0.025 0.000 0.798 154 S HN 0.222 nan 8.310 nan 0.000 0.488 155 G N 0.256 109.137 108.800 0.134 0.000 3.134 155 G HA2 0.434 4.395 3.960 0.001 0.000 0.158 155 G HA3 0.434 4.395 3.960 0.001 0.000 0.158 155 G C -0.838 174.192 174.900 0.216 0.000 1.334 155 G CA -0.095 45.123 45.100 0.195 0.000 1.001 155 G HN 0.163 nan 8.290 nan 0.000 0.600 156 D N 0.497 121.018 120.400 0.202 0.000 2.697 156 D HA -0.100 4.540 4.640 0.001 0.000 0.235 156 D C 0.019 176.383 176.300 0.108 0.000 1.167 156 D CA 1.007 55.109 54.000 0.170 0.000 0.656 156 D CB -0.757 40.183 40.800 0.233 0.000 1.025 156 D HN 0.372 nan 8.370 nan 0.000 0.419 157 E N -0.127 120.042 120.200 -0.051 0.000 2.404 157 E HA 0.489 4.839 4.350 0.001 0.000 0.261 157 E C 1.297 177.643 176.600 -0.423 0.000 1.074 157 E CA 0.414 56.544 56.400 -0.449 0.000 0.917 157 E CB 0.382 29.845 29.700 -0.396 0.000 0.965 157 E HN 0.293 nan 8.360 nan 0.000 0.433 158 A N 1.145 123.513 122.820 -0.753 0.000 2.861 158 A HA -0.227 4.094 4.320 0.001 0.000 0.261 158 A C 0.630 178.176 177.584 -0.063 0.000 1.351 158 A CA 1.118 52.938 52.037 -0.361 0.000 0.904 158 A CB -2.613 16.246 19.000 -0.236 0.000 1.076 158 A HN 0.703 nan 8.150 nan 0.000 0.729 159 S N -1.946 113.791 115.700 0.062 0.000 2.745 159 S HA 0.700 5.170 4.470 0.001 0.000 0.292 159 S C 1.474 176.191 174.600 0.195 0.000 1.133 159 S CA 0.300 58.580 58.200 0.133 0.000 0.998 159 S CB 1.416 64.708 63.200 0.153 0.000 1.087 159 S HN 1.625 nan 8.310 nan 0.000 0.551 160 G N 0.209 109.095 108.800 0.144 0.000 2.408 160 G HA2 0.054 4.015 3.960 0.001 0.000 0.217 160 G HA3 0.054 4.015 3.960 0.001 0.000 0.217 160 G C 1.484 176.490 174.900 0.176 0.000 1.150 160 G CA 0.718 45.898 45.100 0.133 0.000 0.776 160 G HN 1.071 nan 8.290 nan 0.000 0.542 161 A N -0.112 122.831 122.820 0.206 0.000 1.930 161 A HA -0.004 4.317 4.320 0.001 0.000 0.217 161 A C 2.097 179.802 177.584 0.202 0.000 1.175 161 A CA 1.482 53.670 52.037 0.251 0.000 0.627 161 A CB -0.683 18.468 19.000 0.252 0.000 0.815 161 A HN 0.532 nan 8.150 nan 0.000 0.443 162 W N 0.777 122.111 121.300 0.056 0.000 2.332 162 W HA -0.211 4.449 4.660 0.001 0.000 0.321 162 W C 1.866 178.356 176.519 -0.049 0.000 1.219 162 W CA 2.197 59.540 57.345 -0.004 0.000 1.277 162 W CB -0.482 28.985 29.460 0.011 0.000 1.161 162 W HN 0.256 nan 8.180 nan 0.000 0.476 163 L N 0.355 121.745 121.223 0.278 0.000 2.043 163 L HA -0.203 4.137 4.340 0.001 0.000 0.212 163 L C 2.640 179.454 176.870 -0.093 0.000 1.075 163 L CA 1.633 56.519 54.840 0.077 0.000 0.752 163 L CB -1.604 40.533 42.059 0.131 0.000 0.891 163 L HN 0.287 nan 8.230 nan 0.000 0.432 164 G N -1.117 107.677 108.800 -0.009 0.000 2.402 164 G HA2 -0.226 3.734 3.960 0.001 0.000 0.216 164 G HA3 -0.226 3.734 3.960 0.001 0.000 0.216 164 G C 1.485 176.328 174.900 -0.095 0.000 1.162 164 G CA 0.323 45.458 45.100 0.057 0.000 0.777 164 G HN 0.396 nan 8.290 nan 0.000 0.539 165 Q N -0.089 119.423 119.800 -0.479 0.000 2.061 165 Q HA -0.107 4.233 4.340 0.001 0.000 0.204 165 Q C 2.829 178.555 176.000 -0.456 0.000 0.984 165 Q CA 1.357 56.685 55.803 -0.791 0.000 0.846 165 Q CB -0.152 28.090 28.738 -0.826 0.000 0.902 165 Q HN 0.319 nan 8.270 nan 0.000 0.421 166 R N 0.349 120.549 120.500 -0.500 0.000 2.096 166 R HA -0.094 4.247 4.340 0.001 0.000 0.235 166 R C 2.216 178.344 176.300 -0.286 0.000 1.127 166 R CA 1.286 57.125 56.100 -0.434 0.000 0.968 166 R CB -0.447 29.496 30.300 -0.595 0.000 0.861 166 R HN 0.260 nan 8.270 nan 0.000 0.440 167 A N 0.689 123.369 122.820 -0.233 0.000 1.933 167 A HA -0.080 4.240 4.320 0.001 0.000 0.218 167 A C 2.291 179.783 177.584 -0.154 0.000 1.175 167 A CA 1.661 53.592 52.037 -0.178 0.000 0.628 167 A CB -0.710 18.200 19.000 -0.151 0.000 0.814 167 A HN 0.387 nan 8.150 nan 0.000 0.444 168 A N -0.797 121.967 122.820 -0.094 0.000 1.897 168 A HA -0.165 4.155 4.320 0.001 0.000 0.215 168 A C 2.196 179.739 177.584 -0.069 0.000 1.181 168 A CA 1.670 53.697 52.037 -0.018 0.000 0.620 168 A CB -0.539 18.625 19.000 0.273 0.000 0.821 168 A HN 0.659 nan 8.150 nan 0.000 0.443 169 Q N -0.326 119.401 119.800 -0.122 0.000 2.084 169 Q HA -0.113 4.227 4.340 0.001 0.000 0.202 169 Q C 1.927 177.819 176.000 -0.181 0.000 0.978 169 Q CA 1.454 57.172 55.803 -0.141 0.000 0.844 169 Q CB -0.241 28.392 28.738 -0.175 0.000 0.898 169 Q HN 0.648 nan 8.270 nan 0.000 0.426 170 L N 0.127 121.209 121.223 -0.234 0.000 2.083 170 L HA -0.168 4.172 4.340 0.001 0.000 0.209 170 L C 2.390 179.067 176.870 -0.322 0.000 1.083 170 L CA 1.516 56.145 54.840 -0.351 0.000 0.752 170 L CB -0.381 41.450 42.059 -0.380 0.000 0.899 170 L HN 0.284 nan 8.230 nan 0.000 0.433 171 T N -1.350 113.071 114.554 -0.221 0.000 2.857 171 T HA -0.116 4.234 4.350 0.001 0.000 0.266 171 T C 0.997 175.597 174.700 -0.168 0.000 1.048 171 T CA 0.619 62.611 62.100 -0.180 0.000 1.139 171 T CB -0.119 68.672 68.868 -0.128 0.000 0.874 171 T HN 0.341 nan 8.240 nan 0.000 0.455 175 L N 2.147 123.300 121.223 -0.115 0.000 2.042 175 L HA -0.083 4.257 4.340 0.001 0.000 0.210 175 L C 1.682 178.695 176.870 0.238 0.000 1.076 175 L CA 2.957 57.863 54.840 0.110 0.000 0.749 175 L CB -0.845 41.232 42.059 0.031 0.000 0.893 175 L HN 0.753 nan 8.230 nan 0.000 0.432 176 D N -2.546 117.960 120.400 0.176 0.000 2.340 176 D HA 0.226 4.866 4.640 0.001 0.000 0.217 176 D C 1.440 177.821 176.300 0.135 0.000 1.081 176 D CA 0.701 54.841 54.000 0.233 0.000 0.842 176 D CB 0.053 40.995 40.800 0.237 0.000 0.934 176 D HN 0.300 nan 8.370 nan 0.000 0.511 177 G N 1.483 110.339 108.800 0.094 0.000 2.175 177 G HA2 -0.344 3.617 3.960 0.001 0.000 0.244 177 G HA3 -0.344 3.617 3.960 0.001 0.000 0.244 177 G C 1.025 175.956 174.900 0.052 0.000 0.982 177 G CA 0.109 45.251 45.100 0.069 0.000 0.641 177 G HN 0.519 nan 8.290 nan 0.000 0.527 178 R N -0.059 120.476 120.500 0.058 0.000 2.391 178 R HA 0.333 4.674 4.340 0.001 0.000 0.249 178 R C 0.369 176.720 176.300 0.085 0.000 0.957 178 R CA 0.307 56.438 56.100 0.053 0.000 1.093 178 R CB 0.168 30.497 30.300 0.048 0.000 1.156 178 R HN 0.500 nan 8.270 nan 0.000 0.526 179 H N -0.458 118.588 119.070 -0.039 0.000 3.068 179 H HA 0.247 4.804 4.556 0.001 0.000 0.342 179 H C -1.289 173.997 175.328 -0.070 0.000 1.284 179 H CA -0.609 55.407 56.048 -0.054 0.000 1.181 179 H CB 2.502 32.218 29.762 -0.077 0.000 1.898 179 H HN -0.000 nan 8.280 nan 0.000 0.540 180 S N 0.822 116.551 115.700 0.049 0.000 2.632 180 S HA 0.213 4.684 4.470 0.001 0.000 0.271 180 S C -0.384 174.326 174.600 0.183 0.000 1.260 180 S CA -0.408 57.850 58.200 0.096 0.000 1.010 180 S CB 0.387 63.603 63.200 0.026 0.000 0.965 180 S HN 0.456 nan 8.310 nan 0.000 0.534 181 H N 0.661 119.805 119.070 0.122 0.000 2.690 181 H HA 0.425 4.981 4.556 0.001 0.000 0.365 181 H C 0.564 175.939 175.328 0.080 0.000 1.142 181 H CA 0.631 56.730 56.048 0.086 0.000 1.417 181 H CB 0.691 30.485 29.762 0.052 0.000 1.446 181 H HN 0.624 nan 8.280 nan 0.000 0.599 182 S N 1.588 117.405 115.700 0.194 0.000 2.705 182 S HA 0.298 4.768 4.470 0.001 0.000 0.280 182 S C -2.266 172.388 174.600 0.090 0.000 1.174 182 S CA -1.398 56.875 58.200 0.122 0.000 0.823 182 S CB 1.785 65.047 63.200 0.103 0.000 1.162 182 S HN 0.299 nan 8.310 nan 0.000 0.487 183 P HA -0.088 nan 4.420 nan 0.000 0.216 183 P C 1.629 178.941 177.300 0.020 0.000 1.153 183 P CA 0.871 63.993 63.100 0.037 0.000 0.858 183 P CB 0.036 31.754 31.700 0.031 0.000 0.789 184 L N -0.588 120.638 121.223 0.004 0.000 1.994 184 L HA -0.160 4.181 4.340 0.001 0.000 0.208 184 L C 2.399 179.249 176.870 -0.032 0.000 1.071 184 L CA 2.790 57.610 54.840 -0.033 0.000 0.745 184 L CB -1.292 40.731 42.059 -0.059 0.000 0.892 184 L HN 0.155 nan 8.230 nan 0.000 0.431 185 T N -2.852 111.697 114.554 -0.009 0.000 2.759 185 T HA -0.242 4.108 4.350 0.001 0.000 0.269 185 T C 1.914 176.679 174.700 0.107 0.000 1.042 185 T CA 1.056 63.168 62.100 0.020 0.000 1.140 185 T CB -0.409 68.457 68.868 -0.003 0.000 0.864 185 T HN 0.351 nan 8.240 nan 0.000 0.455 186 R N 1.200 121.772 120.500 0.121 0.000 2.075 186 R HA 0.159 4.499 4.340 0.001 0.000 0.232 186 R C 3.053 179.366 176.300 0.021 0.000 1.126 186 R CA 1.244 57.377 56.100 0.056 0.000 0.963 186 R CB -0.731 29.578 30.300 0.015 0.000 0.858 186 R HN 0.547 nan 8.270 nan 0.000 0.435 187 A N 0.810 123.635 122.820 0.008 0.000 1.858 187 A HA -0.124 4.197 4.320 0.001 0.000 0.216 187 A C 2.380 179.961 177.584 -0.006 0.000 1.190 187 A CA 1.473 53.509 52.037 -0.001 0.000 0.617 187 A CB -0.677 18.308 19.000 -0.026 0.000 0.827 187 A HN 0.111 nan 8.150 nan 0.000 0.443 188 V N -0.260 119.617 119.914 -0.062 0.000 2.343 188 V HA -0.229 3.891 4.120 0.001 0.000 0.247 188 V C 2.509 178.561 176.094 -0.069 0.000 1.051 188 V CA 1.962 64.189 62.300 -0.120 0.000 1.036 188 V CB -0.797 30.916 31.823 -0.184 0.000 0.654 188 V HN 0.586 nan 8.190 nan 0.000 0.451 189 L N 0.822 122.029 121.223 -0.028 0.000 1.989 189 L HA -0.215 4.125 4.340 0.001 0.000 0.211 189 L C 2.151 179.018 176.870 -0.005 0.000 1.071 189 L CA 2.699 57.534 54.840 -0.008 0.000 0.749 189 L CB -0.875 41.219 42.059 0.059 0.000 0.890 189 L HN 0.478 nan 8.230 nan 0.000 0.431 190 D N -1.538 118.870 120.400 0.014 0.000 2.123 190 D HA -0.318 4.322 4.640 0.001 0.000 0.196 190 D C 2.094 178.407 176.300 0.020 0.000 0.992 190 D CA 1.500 55.508 54.000 0.014 0.000 0.833 190 D CB -0.325 40.488 40.800 0.021 0.000 0.954 190 D HN 0.411 nan 8.370 nan 0.000 0.455 191 F N -0.087 119.791 119.950 -0.120 0.000 2.216 191 F HA -0.081 4.447 4.527 0.001 0.000 0.300 191 F C 1.823 177.503 175.800 -0.200 0.000 1.085 191 F CA 0.854 58.770 58.000 -0.141 0.000 1.326 191 F CB 0.071 38.971 39.000 -0.166 0.000 1.027 191 F HN -0.086 nan 8.300 nan 0.000 0.497 192 V N -0.604 119.258 119.914 -0.086 0.000 3.052 192 V HA 0.194 4.315 4.120 0.001 0.000 0.254 192 V C 1.802 177.825 176.094 -0.119 0.000 1.100 192 V CA 1.457 63.600 62.300 -0.260 0.000 1.112 192 V CB 0.097 31.680 31.823 -0.400 0.000 0.738 192 V HN 0.648 nan 8.190 nan 0.000 0.469 193 G N -2.162 106.592 108.800 -0.075 0.000 3.578 193 G HA2 0.201 4.162 3.960 0.001 0.000 0.220 193 G HA3 0.201 4.162 3.960 0.001 0.000 0.220 193 G C 0.908 175.806 174.900 -0.004 0.000 0.933 193 G CA 0.205 45.288 45.100 -0.028 0.000 0.847 193 G HN 1.142 nan 8.290 nan 0.000 0.612 194 G N 0.243 109.042 108.800 -0.002 0.000 2.199 194 G HA2 0.064 4.025 3.960 0.001 0.000 0.254 194 G HA3 0.064 4.025 3.960 0.001 0.000 0.254 194 G C 0.027 174.955 174.900 0.046 0.000 0.982 194 G CA 1.147 46.256 45.100 0.015 0.000 0.632 194 G HN 1.872 nan 8.290 nan 0.000 0.529 195 D N -2.912 117.531 120.400 0.072 0.000 2.692 195 D HA 0.301 4.942 4.640 0.001 0.000 0.303 195 D C 0.785 177.196 176.300 0.186 0.000 1.278 195 D CA -0.499 53.581 54.000 0.134 0.000 0.852 195 D CB -0.085 40.793 40.800 0.130 0.000 1.375 195 D HN -0.044 nan 8.370 nan 0.000 0.453 196 W N 0.600 121.926 121.300 0.044 0.000 2.292 196 W HA -0.221 4.439 4.660 0.000 0.000 0.330 196 W C 2.379 178.930 176.519 0.054 0.000 1.264 196 W CA 2.759 60.133 57.345 0.049 0.000 1.235 196 W CB -0.533 28.953 29.460 0.043 0.000 1.164 196 W HN 0.433 nan 8.180 nan 0.000 0.461 197 Q N 0.074 120.103 119.800 0.383 0.000 2.173 197 Q HA -0.105 4.235 4.340 0.001 0.000 0.208 197 Q C 1.363 177.448 176.000 0.141 0.000 0.989 197 Q CA 1.603 57.553 55.803 0.246 0.000 0.872 197 Q CB -1.499 27.355 28.738 0.193 0.000 0.909 197 Q HN 0.257 nan 8.270 nan 0.000 0.420 202 W N 2.351 123.628 121.300 -0.038 0.000 2.338 202 W HA -0.139 4.522 4.660 0.001 0.000 0.304 202 W C 1.813 178.282 176.519 -0.083 0.000 1.212 202 W CA 2.449 59.762 57.345 -0.052 0.000 1.264 202 W CB 0.011 29.456 29.460 -0.026 0.000 1.142 202 W HN 0.474 nan 8.180 nan 0.000 0.512 203 N N -0.184 118.657 118.700 0.234 0.000 2.396 203 N HA -0.092 4.649 4.740 0.001 0.000 0.180 203 N C 1.794 177.269 175.510 -0.060 0.000 1.028 203 N CA 1.275 54.384 53.050 0.098 0.000 0.893 203 N CB -0.493 38.141 38.487 0.245 0.000 0.967 203 N HN 0.311 nan 8.380 nan 0.000 0.440 204 G N 1.223 109.992 108.800 -0.053 0.000 2.422 204 G HA2 -0.206 3.755 3.960 0.001 0.000 0.218 204 G HA3 -0.206 3.755 3.960 0.001 0.000 0.218 204 G C 1.325 176.158 174.900 -0.113 0.000 1.140 204 G CA 0.269 45.336 45.100 -0.054 0.000 0.775 204 G HN 0.475 nan 8.290 nan 0.000 0.545 205 R N -0.113 120.260 120.500 -0.212 0.000 2.586 205 R HA 0.645 4.985 4.340 0.001 0.000 0.336 205 R C 0.568 176.619 176.300 -0.414 0.000 1.060 205 R CA -0.007 55.945 56.100 -0.247 0.000 1.079 205 R CB 0.223 30.393 30.300 -0.216 0.000 1.317 205 R HN 0.135 nan 8.270 nan 0.000 0.568 206 A N 1.624 124.123 122.820 -0.535 0.000 2.462 206 A HA 0.353 4.673 4.320 0.001 0.000 0.243 206 A C 0.380 177.657 177.584 -0.511 0.000 1.076 206 A CA 0.340 51.865 52.037 -0.853 0.000 0.773 206 A CB 0.341 18.684 19.000 -1.097 0.000 1.010 206 A HN 0.550 nan 8.150 nan 0.000 0.493 207 T N -0.486 113.721 114.554 -0.578 0.000 2.865 207 T HA 0.629 4.979 4.350 0.001 0.000 0.294 207 T C -2.464 172.014 174.700 -0.370 0.000 1.119 207 T CA -1.518 60.371 62.100 -0.352 0.000 1.007 207 T CB 1.492 70.199 68.868 -0.267 0.000 1.225 207 T HN 0.174 nan 8.240 nan 0.000 0.515 208 P HA -0.088 nan 4.420 nan 0.000 0.215 208 P C 1.680 178.924 177.300 -0.092 0.000 1.157 208 P CA 1.986 64.861 63.100 -0.374 0.000 0.874 208 P CB -0.291 31.121 31.700 -0.480 0.000 0.790 209 A N -0.728 122.022 122.820 -0.116 0.000 1.972 209 A HA -0.229 4.091 4.320 0.001 0.000 0.219 209 A C 2.230 179.806 177.584 -0.014 0.000 1.169 209 A CA 1.395 53.406 52.037 -0.043 0.000 0.635 209 A CB -1.064 17.904 19.000 -0.053 0.000 0.810 209 A HN 0.131 nan 8.150 nan 0.000 0.446 210 Q N -1.267 118.460 119.800 -0.121 0.000 2.123 210 Q HA -0.089 4.251 4.340 0.001 0.000 0.199 210 Q C 1.797 177.867 176.000 0.117 0.000 0.966 210 Q CA 1.164 56.897 55.803 -0.118 0.000 0.845 210 Q CB -0.440 27.959 28.738 -0.565 0.000 0.907 210 Q HN 0.703 nan 8.270 nan 0.000 0.439 211 F N 0.867 120.900 119.950 0.138 0.000 2.146 211 F HA -0.056 4.472 4.527 0.001 0.000 0.298 211 F C 2.398 178.281 175.800 0.137 0.000 1.096 211 F CA 0.845 58.993 58.000 0.246 0.000 1.275 211 F CB -0.890 38.211 39.000 0.168 0.000 1.008 211 F HN 0.034 nan 8.300 nan 0.000 0.480 212 A N 0.129 123.108 122.820 0.265 0.000 2.024 212 A HA -0.200 4.120 4.320 0.001 0.000 0.220 212 A C 2.289 179.932 177.584 0.098 0.000 1.164 212 A CA 1.330 53.458 52.037 0.152 0.000 0.643 212 A CB -0.667 18.396 19.000 0.105 0.000 0.806 212 A HN 0.313 nan 8.150 nan 0.000 0.451 213 R N -0.653 119.921 120.500 0.123 0.000 2.241 213 R HA -0.002 4.338 4.340 0.001 0.000 0.224 213 R C 1.436 177.646 176.300 -0.151 0.000 1.101 213 R CA 0.991 57.138 56.100 0.077 0.000 0.995 213 R CB -0.375 30.079 30.300 0.255 0.000 0.870 213 R HN 0.536 nan 8.270 nan 0.000 0.463 214 L N -0.415 120.729 121.223 -0.132 0.000 2.446 214 L HA 0.082 4.422 4.340 0.001 0.000 0.219 214 L C 2.502 179.258 176.870 -0.189 0.000 1.116 214 L CA 0.167 54.820 54.840 -0.312 0.000 0.844 214 L CB -0.376 41.572 42.059 -0.185 0.000 0.970 214 L HN 0.125 nan 8.230 nan 0.000 0.457 215 A N 1.757 124.530 122.820 -0.077 0.000 1.903 215 A HA -0.164 4.157 4.320 0.001 0.000 0.219 215 A C 0.009 177.539 177.584 -0.089 0.000 1.191 215 A CA 1.992 53.997 52.037 -0.054 0.000 0.638 215 A CB -1.832 17.168 19.000 0.000 0.000 0.823 215 A HN 0.294 nan 8.150 nan 0.000 0.451 216 P HA -0.103 nan 4.420 nan 0.000 0.222 216 P C 1.442 178.681 177.300 -0.101 0.000 1.147 216 P CA 0.834 63.888 63.100 -0.077 0.000 0.790 216 P CB -0.175 31.497 31.700 -0.047 0.000 0.780 217 L N -0.970 120.158 121.223 -0.158 0.000 2.156 217 L HA -0.083 4.257 4.340 0.001 0.000 0.208 217 L C 2.645 179.439 176.870 -0.127 0.000 1.095 217 L CA 0.962 55.708 54.840 -0.157 0.000 0.770 217 L CB -0.771 41.137 42.059 -0.251 0.000 0.914 217 L HN -0.151 nan 8.230 nan 0.000 0.439 218 V N 0.027 119.858 119.914 -0.138 0.000 2.323 218 V HA -0.240 3.880 4.120 0.001 0.000 0.244 218 V C 2.386 178.376 176.094 -0.172 0.000 1.041 218 V CA 1.345 63.559 62.300 -0.142 0.000 1.025 218 V CB -0.268 31.471 31.823 -0.140 0.000 0.656 218 V HN 0.315 nan 8.190 nan 0.000 0.451 219 L N -0.087 121.030 121.223 -0.178 0.000 2.042 219 L HA -0.193 4.147 4.340 0.001 0.000 0.210 219 L C 2.629 179.440 176.870 -0.100 0.000 1.076 219 L CA 1.840 56.553 54.840 -0.212 0.000 0.749 219 L CB -0.652 41.328 42.059 -0.132 0.000 0.893 219 L HN 0.321 nan 8.230 nan 0.000 0.432 220 S N -0.098 115.571 115.700 -0.051 0.000 2.345 220 S HA -0.125 4.346 4.470 0.001 0.000 0.220 220 S C 2.165 176.772 174.600 0.011 0.000 1.031 220 S CA 1.136 59.336 58.200 -0.000 0.000 0.996 220 S CB -0.378 62.819 63.200 -0.005 0.000 0.882 220 S HN 0.485 nan 8.310 nan 0.000 0.445 221 A N 1.540 124.349 122.820 -0.018 0.000 2.070 221 A HA 0.168 4.489 4.320 0.001 0.000 0.220 221 A C 2.270 179.866 177.584 0.021 0.000 1.159 221 A CA 1.463 53.498 52.037 -0.003 0.000 0.656 221 A CB -0.937 18.048 19.000 -0.026 0.000 0.800 221 A HN 0.501 nan 8.150 nan 0.000 0.453 222 A N 0.023 122.844 122.820 0.002 0.000 1.986 222 A HA -0.212 4.108 4.320 0.001 0.000 0.220 222 A C 2.174 179.877 177.584 0.198 0.000 1.171 222 A CA 1.614 53.687 52.037 0.061 0.000 0.640 222 A CB -0.458 18.493 19.000 -0.082 0.000 0.811 222 A HN 0.568 nan 8.150 nan 0.000 0.451 223 R N -0.966 119.647 120.500 0.188 0.000 2.235 223 R HA -0.039 4.301 4.340 0.001 0.000 0.213 223 R C 1.459 177.824 176.300 0.109 0.000 1.059 223 R CA 1.434 57.638 56.100 0.172 0.000 0.997 223 R CB -0.083 30.303 30.300 0.144 0.000 0.884 223 R HN 0.636 nan 8.270 nan 0.000 0.462 224 V N -4.261 115.704 119.914 0.086 0.000 3.451 224 V HA 0.246 4.366 4.120 0.001 0.000 0.288 224 V C -0.207 175.924 176.094 0.061 0.000 1.502 224 V CA -0.364 61.975 62.300 0.065 0.000 1.026 224 V CB 0.864 32.717 31.823 0.049 0.000 0.840 224 V HN -0.115 nan 8.190 nan 0.000 0.437 225 D N 1.195 121.634 120.400 0.064 0.000 2.481 225 D HA 0.456 5.097 4.640 0.001 0.000 0.246 225 D C -2.214 174.127 176.300 0.068 0.000 1.109 225 D CA -1.764 52.270 54.000 0.057 0.000 0.845 225 D CB 2.670 43.492 40.800 0.036 0.000 1.160 225 D HN 0.029 nan 8.370 nan 0.000 0.534 226 P HA -0.084 nan 4.420 nan 0.000 0.220 226 P C 1.043 178.387 177.300 0.073 0.000 1.148 226 P CA 0.746 63.894 63.100 0.081 0.000 0.803 226 P CB 0.600 32.342 31.700 0.071 0.000 0.782 227 E N -0.005 120.230 120.200 0.058 0.000 2.017 227 E HA -0.162 4.188 4.350 0.001 0.000 0.193 227 E C 2.124 178.731 176.600 0.012 0.000 0.997 227 E CA 1.623 58.047 56.400 0.040 0.000 0.804 227 E CB -1.086 28.629 29.700 0.025 0.000 0.757 227 E HN 0.166 nan 8.360 nan 0.000 0.448 228 A N 1.648 124.462 122.820 -0.009 0.000 1.908 228 A HA -0.253 4.068 4.320 0.001 0.000 0.218 228 A C 1.992 179.536 177.584 -0.067 0.000 1.181 228 A CA 2.135 54.140 52.037 -0.054 0.000 0.627 228 A CB -0.757 18.204 19.000 -0.066 0.000 0.818 228 A HN 0.301 nan 8.150 nan 0.000 0.445 229 D N -0.426 119.988 120.400 0.023 0.000 2.144 229 D HA -0.038 4.602 4.640 0.001 0.000 0.199 229 D C 1.946 178.318 176.300 0.121 0.000 0.984 229 D CA 1.547 55.626 54.000 0.131 0.000 0.834 229 D CB -0.146 40.814 40.800 0.267 0.000 0.955 229 D HN 0.361 nan 8.370 nan 0.000 0.465 230 A N -0.015 122.863 122.820 0.097 0.000 1.898 230 A HA -0.056 4.265 4.320 0.001 0.000 0.216 230 A C 2.348 179.998 177.584 0.110 0.000 1.181 230 A CA 0.965 53.069 52.037 0.110 0.000 0.620 230 A CB -0.771 18.284 19.000 0.092 0.000 0.819 230 A HN 0.355 nan 8.150 nan 0.000 0.442 231 L N -0.521 120.748 121.223 0.077 0.000 2.017 231 L HA -0.187 4.153 4.340 0.001 0.000 0.208 231 L C 2.589 179.539 176.870 0.134 0.000 1.073 231 L CA 1.155 56.091 54.840 0.160 0.000 0.745 231 L CB -0.643 41.456 42.059 0.067 0.000 0.894 231 L HN 0.369 nan 8.230 nan 0.000 0.432 232 L N -0.532 120.639 121.223 -0.087 0.000 2.042 232 L HA -0.230 4.110 4.340 0.001 0.000 0.210 232 L C 2.825 179.685 176.870 -0.016 0.000 1.076 232 L CA 1.092 55.780 54.840 -0.254 0.000 0.749 232 L CB -0.520 40.936 42.059 -1.004 0.000 0.893 232 L HN 0.238 nan 8.230 nan 0.000 0.432 233 R N 0.377 120.950 120.500 0.121 0.000 2.096 233 R HA -0.206 4.134 4.340 0.001 0.000 0.235 233 R C 2.243 178.630 176.300 0.146 0.000 1.127 233 R CA 1.482 57.728 56.100 0.244 0.000 0.968 233 R CB -0.395 30.067 30.300 0.271 0.000 0.861 233 R HN 0.229 nan 8.270 nan 0.000 0.440 234 Q N -0.142 119.730 119.800 0.119 0.000 2.084 234 Q HA 0.010 4.350 4.340 0.001 0.000 0.202 234 Q C 1.850 177.798 176.000 -0.086 0.000 0.978 234 Q CA 2.180 58.023 55.803 0.066 0.000 0.844 234 Q CB -0.503 28.347 28.738 0.188 0.000 0.898 234 Q HN 0.386 nan 8.270 nan 0.000 0.426 235 A N -0.215 122.540 122.820 -0.109 0.000 1.883 235 A HA -0.093 4.227 4.320 0.001 0.000 0.217 235 A C 2.316 179.865 177.584 -0.057 0.000 1.186 235 A CA 1.761 53.677 52.037 -0.202 0.000 0.624 235 A CB -1.498 17.448 19.000 -0.090 0.000 0.822 235 A HN 0.556 nan 8.150 nan 0.000 0.444 236 G N -0.491 108.345 108.800 0.060 0.000 2.442 236 G HA2 -0.227 3.733 3.960 0.001 0.000 0.219 236 G HA3 -0.227 3.733 3.960 0.001 0.000 0.219 236 G C 1.427 176.405 174.900 0.130 0.000 1.141 236 G CA 1.062 46.245 45.100 0.139 0.000 0.763 236 G HN 0.688 nan 8.290 nan 0.000 0.554 237 E N 0.477 120.738 120.200 0.101 0.000 2.072 237 E HA -0.084 4.266 4.350 0.001 0.000 0.191 237 E C 2.089 178.703 176.600 0.023 0.000 0.985 237 E CA 0.946 57.418 56.400 0.121 0.000 0.801 237 E CB -0.065 29.690 29.700 0.092 0.000 0.750 237 E HN 0.258 nan 8.360 nan 0.000 0.452 238 D N 0.769 121.125 120.400 -0.072 0.000 2.144 238 D HA -0.131 4.509 4.640 0.001 0.000 0.199 238 D C 1.899 178.144 176.300 -0.092 0.000 0.984 238 D CA 1.214 55.133 54.000 -0.135 0.000 0.834 238 D CB -0.208 40.422 40.800 -0.283 0.000 0.955 238 D HN 0.154 nan 8.370 nan 0.000 0.465 239 A N 0.579 123.374 122.820 -0.042 0.000 1.877 239 A HA -0.187 4.134 4.320 0.001 0.000 0.216 239 A C 2.124 179.636 177.584 -0.121 0.000 1.186 239 A CA 1.295 53.338 52.037 0.011 0.000 0.620 239 A CB -1.146 17.953 19.000 0.165 0.000 0.822 239 A HN 0.329 nan 8.150 nan 0.000 0.443 240 W N 0.854 121.815 121.300 -0.565 0.000 2.338 240 W HA -0.143 4.517 4.660 0.001 0.000 0.304 240 W C 2.502 178.713 176.519 -0.514 0.000 1.212 240 W CA 1.508 58.236 57.345 -1.028 0.000 1.264 240 W CB -0.748 28.263 29.460 -0.749 0.000 1.142 240 W HN 0.396 nan 8.180 nan 0.000 0.512 241 A N 0.452 123.150 122.820 -0.204 0.000 1.883 241 A HA -0.209 4.111 4.320 0.001 0.000 0.217 241 A C 2.040 179.530 177.584 -0.156 0.000 1.186 241 A CA 2.146 54.040 52.037 -0.239 0.000 0.624 241 A CB -0.992 17.908 19.000 -0.167 0.000 0.822 241 A HN 0.210 nan 8.150 nan 0.000 0.444 242 I N 0.027 120.539 120.570 -0.096 0.000 2.118 242 I HA -0.299 3.872 4.170 0.001 0.000 0.241 242 I C 2.973 179.078 176.117 -0.020 0.000 1.070 242 I CA 1.700 62.979 61.300 -0.035 0.000 1.327 242 I CB -1.669 36.330 38.000 -0.001 0.000 1.034 242 I HN 0.383 nan 8.210 nan 0.000 0.405 243 A N 0.581 123.389 122.820 -0.021 0.000 1.902 243 A HA -0.190 4.131 4.320 0.001 0.000 0.217 243 A C 2.368 179.964 177.584 0.021 0.000 1.181 243 A CA 1.222 53.289 52.037 0.050 0.000 0.623 243 A CB -0.443 18.651 19.000 0.157 0.000 0.818 243 A HN 0.271 nan 8.150 nan 0.000 0.443 244 R N -0.420 120.032 120.500 -0.080 0.000 2.115 244 R HA -0.032 4.309 4.340 0.001 0.000 0.230 244 R C 2.337 178.599 176.300 -0.063 0.000 1.111 244 R CA 1.255 57.290 56.100 -0.108 0.000 0.976 244 R CB -0.984 29.135 30.300 -0.302 0.000 0.870 244 R HN 0.538 nan 8.270 nan 0.000 0.445 245 A N 0.859 123.646 122.820 -0.055 0.000 1.969 245 A HA -0.069 4.252 4.320 0.001 0.000 0.218 245 A C 2.217 179.816 177.584 0.026 0.000 1.169 245 A CA 0.987 53.012 52.037 -0.021 0.000 0.635 245 A CB -0.335 18.660 19.000 -0.009 0.000 0.810 245 A HN 0.194 nan 8.150 nan 0.000 0.445 246 L N -1.466 119.788 121.223 0.052 0.000 2.341 246 L HA 0.089 4.430 4.340 0.001 0.000 0.214 246 L C 0.402 177.380 176.870 0.179 0.000 1.115 246 L CA 0.716 55.629 54.840 0.122 0.000 0.820 246 L CB 0.139 42.249 42.059 0.084 0.000 0.944 246 L HN 0.315 nan 8.230 nan 0.000 0.452 247 D N -1.452 119.014 120.400 0.110 0.000 2.823 247 D HA 0.163 4.803 4.640 0.001 0.000 0.255 247 D C -1.948 174.392 176.300 0.067 0.000 1.257 247 D CA -1.441 52.631 54.000 0.119 0.000 0.803 247 D CB 0.868 41.734 40.800 0.110 0.000 1.384 247 D HN -0.223 nan 8.370 nan 0.000 0.541 248 P HA -0.177 nan 4.420 nan 0.000 0.217 248 P C 0.894 178.202 177.300 0.014 0.000 1.151 248 P CA 1.227 64.327 63.100 -0.001 0.000 0.849 248 P CB 0.289 31.981 31.700 -0.012 0.000 0.787 249 Q N -1.119 118.701 119.800 0.034 0.000 2.246 249 Q HA 0.055 4.396 4.340 0.001 0.000 0.202 249 Q C -0.260 175.775 176.000 0.060 0.000 0.883 249 Q CA 0.195 56.021 55.803 0.039 0.000 0.952 249 Q CB -0.691 28.065 28.738 0.031 0.000 1.078 249 Q HN 0.252 nan 8.270 nan 0.000 0.493 250 D N 1.369 121.816 120.400 0.079 0.000 2.697 250 D HA -0.189 4.451 4.640 0.001 0.000 0.235 250 D C 0.166 176.507 176.300 0.068 0.000 1.167 250 D CA 0.748 54.806 54.000 0.098 0.000 0.656 250 D CB -0.843 40.033 40.800 0.126 0.000 1.025 250 D HN 0.497 nan 8.370 nan 0.000 0.419 251 E N -0.747 119.488 120.200 0.058 0.000 2.460 251 E HA 0.144 4.494 4.350 0.001 0.000 0.200 251 E C 0.833 177.443 176.600 0.017 0.000 1.011 251 E CA 0.211 56.635 56.400 0.040 0.000 0.912 251 E CB 0.685 30.413 29.700 0.047 0.000 0.953 251 E HN 0.364 nan 8.360 nan 0.000 0.494 252 L N 1.473 122.698 121.223 0.005 0.000 2.330 252 L HA 0.436 4.776 4.340 0.001 0.000 0.271 252 L C -2.365 174.457 176.870 -0.081 0.000 1.013 252 L CA -2.531 52.271 54.840 -0.063 0.000 0.816 252 L CB 1.031 43.022 42.059 -0.114 0.000 1.287 252 L HN -0.268 nan 8.230 nan 0.000 0.435 253 P HA 0.149 nan 4.420 nan 0.000 0.269 253 P C -1.222 176.011 177.300 -0.113 0.000 1.209 253 P CA -0.138 62.878 63.100 -0.141 0.000 0.776 253 P CB 0.808 32.366 31.700 -0.236 0.000 0.876 254 V N 1.218 121.166 119.914 0.058 0.000 2.760 254 V HA 0.794 4.914 4.120 0.001 0.000 0.309 254 V C -0.309 175.856 176.094 0.119 0.000 1.077 254 V CA -0.832 61.548 62.300 0.133 0.000 0.910 254 V CB 1.891 33.801 31.823 0.146 0.000 1.008 254 V HN 0.673 nan 8.190 nan 0.000 0.424 255 A N 3.919 126.812 122.820 0.121 0.000 2.414 255 A HA 0.865 5.185 4.320 0.001 0.000 0.306 255 A C -1.312 176.256 177.584 -0.026 0.000 1.054 255 A CA -0.559 51.466 52.037 -0.021 0.000 0.724 255 A CB 1.734 20.652 19.000 -0.137 0.000 1.267 255 A HN 0.861 nan 8.150 nan 0.000 0.418 256 L N 2.362 123.542 121.223 -0.072 0.000 2.265 256 L HA 0.490 4.831 4.340 0.001 0.000 0.289 256 L C -0.908 175.942 176.870 -0.033 0.000 1.033 256 L CA -0.405 54.417 54.840 -0.030 0.000 0.814 256 L CB 0.526 42.545 42.059 -0.066 0.000 1.203 256 L HN 0.864 nan 8.230 nan 0.000 0.423 257 C N 2.790 122.082 119.300 -0.015 0.000 2.486 257 C HA 0.968 5.428 4.460 0.001 0.000 0.348 257 C C 0.568 175.555 174.990 -0.005 0.000 1.203 257 C CA -0.305 58.698 59.018 -0.025 0.000 1.911 257 C CB 0.939 28.656 27.740 -0.038 0.000 2.340 257 C HN 1.061 nan 8.230 nan 0.000 0.511 258 G N 0.328 109.123 108.800 -0.009 0.000 2.650 258 G HA2 0.328 4.288 3.960 0.001 0.000 0.686 258 G HA3 0.328 4.288 3.960 0.001 0.000 0.686 258 G C 0.493 175.397 174.900 0.007 0.000 1.205 258 G CA -0.095 45.007 45.100 0.003 0.000 0.781 258 G HN 1.434 nan 8.290 nan 0.000 0.648 259 G N -0.394 108.412 108.800 0.010 0.000 2.422 259 G HA2 -0.039 3.922 3.960 0.001 0.000 0.218 259 G HA3 -0.039 3.922 3.960 0.001 0.000 0.218 259 G C 1.894 176.806 174.900 0.021 0.000 1.146 259 G CA 1.435 46.543 45.100 0.014 0.000 0.769 259 G HN 0.997 nan 8.290 nan 0.000 0.547 260 L N 0.640 121.877 121.223 0.025 0.000 2.046 260 L HA -0.008 4.332 4.340 0.001 0.000 0.208 260 L C 3.012 179.905 176.870 0.038 0.000 1.077 260 L CA 1.436 56.294 54.840 0.029 0.000 0.747 260 L CB -0.645 41.434 42.059 0.034 0.000 0.896 260 L HN 0.340 nan 8.230 nan 0.000 0.432 261 G N -1.081 107.740 108.800 0.034 0.000 2.442 261 G HA2 -0.355 3.605 3.960 0.001 0.000 0.219 261 G HA3 -0.355 3.605 3.960 0.001 0.000 0.219 261 G C 1.440 176.361 174.900 0.035 0.000 1.141 261 G CA 0.838 45.960 45.100 0.037 0.000 0.763 261 G HN 0.469 nan 8.290 nan 0.000 0.554 262 Q N -0.067 119.749 119.800 0.026 0.000 2.172 262 Q HA 0.147 4.487 4.340 0.001 0.000 0.200 262 Q C 2.726 178.761 176.000 0.058 0.000 0.964 262 Q CA 1.064 56.882 55.803 0.025 0.000 0.855 262 Q CB -0.208 28.538 28.738 0.013 0.000 0.918 262 Q HN 0.422 nan 8.270 nan 0.000 0.444 263 A N 0.388 123.249 122.820 0.069 0.000 2.066 263 A HA -0.034 4.286 4.320 0.001 0.000 0.218 263 A C 1.789 179.489 177.584 0.193 0.000 1.157 263 A CA 0.563 52.663 52.037 0.105 0.000 0.670 263 A CB -0.264 18.771 19.000 0.059 0.000 0.804 263 A HN 0.423 nan 8.150 nan 0.000 0.453 264 L N -0.985 120.340 121.223 0.171 0.000 2.599 264 L HA -0.001 4.339 4.340 0.001 0.000 0.230 264 L C 2.374 179.435 176.870 0.317 0.000 1.141 264 L CA 0.340 55.345 54.840 0.274 0.000 0.877 264 L CB -0.341 41.816 42.059 0.164 0.000 1.009 264 L HN 0.517 nan 8.230 nan 0.000 0.447 265 R N 0.919 121.528 120.500 0.181 0.000 2.162 265 R HA -0.272 4.068 4.340 0.001 0.000 0.245 265 R C 1.402 177.718 176.300 0.027 0.000 1.129 265 R CA 2.573 58.716 56.100 0.072 0.000 0.940 265 R CB -0.213 30.099 30.300 0.019 0.000 0.875 265 R HN 0.317 nan 8.270 nan 0.000 0.437 266 D N -1.090 119.287 120.400 -0.039 0.000 2.350 266 D HA -0.159 4.482 4.640 0.001 0.000 0.216 266 D C 1.104 177.152 176.300 -0.420 0.000 0.968 266 D CA 0.790 54.587 54.000 -0.339 0.000 0.894 266 D CB -0.145 40.242 40.800 -0.689 0.000 0.909 266 D HN 0.488 nan 8.370 nan 0.000 0.520 267 W N 0.219 121.523 121.300 0.006 0.000 3.220 267 W HA 0.167 4.827 4.660 0.001 0.000 0.328 267 W C 0.018 176.552 176.519 0.025 0.000 1.205 267 W CA -0.617 56.740 57.345 0.020 0.000 1.773 267 W CB 0.294 29.774 29.460 0.034 0.000 1.086 267 W HN -0.090 nan 8.180 nan 0.000 0.622 268 L N 1.497 122.820 121.223 0.166 0.000 2.417 268 L HA 0.237 4.577 4.340 0.001 0.000 0.268 268 L C -1.883 175.004 176.870 0.028 0.000 1.158 268 L CA -1.908 53.006 54.840 0.123 0.000 0.819 268 L CB -0.387 41.715 42.059 0.072 0.000 1.112 268 L HN -0.368 nan 8.230 nan 0.000 0.458 269 P HA 0.102 nan 4.420 nan 0.000 0.267 269 P C -1.957 175.202 177.300 -0.236 0.000 1.209 269 P CA -0.875 62.131 63.100 -0.155 0.000 0.763 269 P CB 0.276 31.749 31.700 -0.379 0.000 0.816 270 P HA -0.263 nan 4.420 nan 0.000 0.218 270 P C 1.546 178.733 177.300 -0.188 0.000 1.154 270 P CA 2.159 65.169 63.100 -0.150 0.000 0.872 270 P CB -0.288 31.353 31.700 -0.098 0.000 0.790 271 G N -1.976 106.673 108.800 -0.253 0.000 2.408 271 G HA2 -0.252 3.709 3.960 0.001 0.000 0.217 271 G HA3 -0.252 3.709 3.960 0.001 0.000 0.217 271 G C 1.435 176.191 174.900 -0.241 0.000 1.150 271 G CA 0.202 45.175 45.100 -0.212 0.000 0.776 271 G HN 0.273 nan 8.290 nan 0.000 0.542 272 F N 0.891 120.401 119.950 -0.734 0.000 2.098 272 F HA 0.062 4.589 4.527 0.001 0.000 0.294 272 F C 2.829 178.438 175.800 -0.318 0.000 1.107 272 F CA 1.332 58.932 58.000 -0.667 0.000 1.234 272 F CB 0.017 38.383 39.000 -1.057 0.000 1.002 272 F HN 0.057 nan 8.300 nan 0.000 0.472 273 R N 0.537 120.831 120.500 -0.343 0.000 2.103 273 R HA -0.274 4.066 4.340 0.001 0.000 0.242 273 R C 2.352 178.504 176.300 -0.247 0.000 1.142 273 R CA 2.160 58.063 56.100 -0.329 0.000 0.960 273 R CB -0.572 29.608 30.300 -0.200 0.000 0.858 273 R HN 0.470 nan 8.270 nan 0.000 0.439 274 Q N 0.025 119.716 119.800 -0.180 0.000 2.167 274 Q HA -0.184 4.156 4.340 0.001 0.000 0.202 274 Q C 2.062 177.996 176.000 -0.110 0.000 0.970 274 Q CA 1.435 57.164 55.803 -0.123 0.000 0.855 274 Q CB 0.039 28.726 28.738 -0.086 0.000 0.911 274 Q HN 0.265 nan 8.270 nan 0.000 0.438 275 R N -0.419 120.011 120.500 -0.118 0.000 2.193 275 R HA 0.006 4.346 4.340 0.001 0.000 0.213 275 R C -0.008 176.224 176.300 -0.113 0.000 1.055 275 R CA -0.138 55.920 56.100 -0.070 0.000 0.995 275 R CB 0.097 30.403 30.300 0.010 0.000 0.893 275 R HN 0.121 nan 8.270 nan 0.000 0.459 276 L N 0.934 122.020 121.223 -0.227 0.000 2.514 276 L HA 0.018 4.358 4.340 0.001 0.000 0.280 276 L C -0.168 176.623 176.870 -0.132 0.000 1.223 276 L CA 0.835 55.525 54.840 -0.249 0.000 0.864 276 L CB 1.229 43.066 42.059 -0.370 0.000 1.118 276 L HN -0.176 nan 8.230 nan 0.000 0.494 277 V N 3.893 123.756 119.914 -0.085 0.000 2.864 277 V HA 0.839 4.960 4.120 0.001 0.000 0.314 277 V C -0.164 175.894 176.094 -0.060 0.000 1.073 277 V CA -0.641 61.633 62.300 -0.043 0.000 0.956 277 V CB 2.060 33.893 31.823 0.017 0.000 1.023 277 V HN 0.988 nan 8.190 nan 0.000 0.435 278 A N 5.950 128.733 122.820 -0.061 0.000 2.340 278 A HA 0.776 5.097 4.320 0.001 0.000 0.268 278 A C -2.555 174.967 177.584 -0.103 0.000 1.100 278 A CA -1.424 50.566 52.037 -0.078 0.000 0.803 278 A CB 0.169 19.130 19.000 -0.064 0.000 1.043 278 A HN 0.706 nan 8.150 nan 0.000 0.488 279 P HA 0.114 nan 4.420 nan 0.000 0.266 279 P C 0.359 177.581 177.300 -0.131 0.000 1.215 279 P CA 0.104 63.095 63.100 -0.181 0.000 0.763 279 P CB 0.582 32.192 31.700 -0.150 0.000 0.806 280 Q N 1.694 121.411 119.800 -0.138 0.000 2.050 280 Q HA -0.026 4.314 4.340 0.001 0.000 0.202 280 Q C 1.072 177.028 176.000 -0.074 0.000 0.980 280 Q CA 1.458 57.210 55.803 -0.085 0.000 0.840 280 Q CB -0.137 28.560 28.738 -0.070 0.000 0.898 280 Q HN 0.628 nan 8.270 nan 0.000 0.424 281 G N 0.262 109.008 108.800 -0.089 0.000 2.642 281 G HA2 0.363 4.323 3.960 0.001 0.000 0.293 281 G HA3 0.363 4.323 3.960 0.001 0.000 0.293 281 G C -1.502 173.353 174.900 -0.075 0.000 1.341 281 G CA -0.590 44.470 45.100 -0.068 0.000 0.916 281 G HN 0.146 nan 8.290 nan 0.000 0.474 282 D N -0.884 119.484 120.400 -0.053 0.000 2.447 282 D HA 0.282 4.922 4.640 0.001 0.000 0.265 282 D C 1.638 177.907 176.300 -0.051 0.000 1.250 282 D CA 0.162 54.131 54.000 -0.051 0.000 1.046 282 D CB 0.557 41.336 40.800 -0.034 0.000 1.095 282 D HN 0.238 nan 8.370 nan 0.000 0.555 283 S N -1.202 114.471 115.700 -0.045 0.000 2.368 283 S HA -0.167 4.303 4.470 0.001 0.000 0.225 283 S C 2.012 176.592 174.600 -0.033 0.000 1.030 283 S CA 1.459 59.634 58.200 -0.042 0.000 0.999 283 S CB -0.971 62.208 63.200 -0.035 0.000 0.844 283 S HN 0.580 nan 8.310 nan 0.000 0.459 284 A N 0.677 123.483 122.820 -0.024 0.000 1.902 284 A HA -0.138 4.182 4.320 0.001 0.000 0.217 284 A C 2.115 179.697 177.584 -0.004 0.000 1.181 284 A CA 1.703 53.733 52.037 -0.012 0.000 0.623 284 A CB -0.793 18.204 19.000 -0.005 0.000 0.818 284 A HN 0.696 nan 8.150 nan 0.000 0.443 285 Q N -0.956 118.838 119.800 -0.010 0.000 2.167 285 Q HA -0.082 4.258 4.340 0.001 0.000 0.202 285 Q C 2.089 178.068 176.000 -0.034 0.000 0.970 285 Q CA 1.053 56.847 55.803 -0.015 0.000 0.855 285 Q CB -0.327 28.398 28.738 -0.022 0.000 0.911 285 Q HN 0.702 nan 8.270 nan 0.000 0.438 286 G N 0.210 108.983 108.800 -0.045 0.000 2.430 286 G HA2 -0.123 3.837 3.960 0.001 0.000 0.216 286 G HA3 -0.123 3.837 3.960 0.001 0.000 0.216 286 G C 1.427 176.306 174.900 -0.035 0.000 1.146 286 G CA 0.622 45.686 45.100 -0.061 0.000 0.793 286 G HN 0.390 nan 8.290 nan 0.000 0.537 287 A N 0.828 123.636 122.820 -0.019 0.000 1.902 287 A HA 0.059 4.380 4.320 0.001 0.000 0.217 287 A C 2.399 179.985 177.584 0.003 0.000 1.181 287 A CA 1.200 53.236 52.037 -0.003 0.000 0.623 287 A CB -0.426 18.569 19.000 -0.009 0.000 0.818 287 A HN 0.347 nan 8.150 nan 0.000 0.443 288 L N -0.707 120.515 121.223 -0.000 0.000 2.017 288 L HA -0.192 4.148 4.340 0.001 0.000 0.208 288 L C 2.545 179.409 176.870 -0.009 0.000 1.073 288 L CA 1.192 56.032 54.840 -0.001 0.000 0.745 288 L CB -0.540 41.509 42.059 -0.017 0.000 0.894 288 L HN 0.374 nan 8.230 nan 0.000 0.432 289 L N -0.811 120.400 121.223 -0.020 0.000 2.131 289 L HA -0.241 4.099 4.340 0.001 0.000 0.210 289 L C 2.537 179.412 176.870 0.009 0.000 1.092 289 L CA 0.536 55.366 54.840 -0.017 0.000 0.759 289 L CB -0.445 41.593 42.059 -0.034 0.000 0.903 289 L HN 0.261 nan 8.230 nan 0.000 0.435 290 L N 0.693 121.930 121.223 0.023 0.000 2.081 290 L HA -0.184 4.157 4.340 0.001 0.000 0.212 290 L C 1.740 178.640 176.870 0.051 0.000 1.080 290 L CA 1.770 56.648 54.840 0.064 0.000 0.754 290 L CB -0.395 41.708 42.059 0.074 0.000 0.893 290 L HN 0.321 nan 8.230 nan 0.000 0.433 291 L N -2.100 119.143 121.223 0.033 0.000 2.737 291 L HA 0.382 4.722 4.340 0.001 0.000 0.236 291 L C 0.233 177.120 176.870 0.028 0.000 1.219 291 L CA 0.215 55.075 54.840 0.033 0.000 1.021 291 L CB -0.730 41.347 42.059 0.031 0.000 1.291 291 L HN 0.261 nan 8.230 nan 0.000 0.470 292 Q N 0.000 119.815 119.800 0.025 0.000 2.315 292 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 292 Q CA 0.000 55.814 55.803 0.019 0.000 1.022 292 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 292 Q HN 0.000 nan 8.270 nan 0.000 0.481