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 3oep_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVRGFYLRFG EGVSEEANRR ALALAEALLR APPPGLLDAV PAYGVLYLEY DATA SEQUENCE DPRRLSRGRL LRLLKGLPXX XXXXXRVVEI PVRYDGEDLP EVASRLGLSL DATA SEQUENCE EAVKALHQKP LYRVYALGFT PGFPFLAEVE PALRLPRKPH PRPRVPAHAV DATA SEQUENCE AVAGVQTGIY PLPSPGGWNL LGTSLVAVYD PHRETPFLLR PGDRVRFLEA DATA SEQUENCE EGPTPPEPRP LELLPEEPRL PALLVEEPGL MDLVVDGGRF LGGHLGLARS DATA SEQUENCE GPLDAPSARL ANRLVGNGAG APLLEFAYKG PVLTALRDLV AAFAGYGFVA DATA SEQUENCE LLEGEEIPPG QSFLWPRGKT LRFRPRGPGV RGYLAVAGGL EVRPFLGSAS DATA SEQUENCE PDLRGRIGRP LWAGDVLGLE ALRPVRPGRA FPQRPLPEAF RLRLLPGPQF DATA SEQUENCE AGEAFRALCS GPFRVARADR VGVELLGPEV PGGEGLSEPT PLGGVQVPPS DATA SEQUENCE GRPLVLLADK GSLGGYAKPA LVDPRDLWLL GQARPGVEIH FTS 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.281 176.300 -0.032 0.000 1.140 1 M CA 0.000 nan 55.300 nan 0.000 0.988 1 M CB 0.000 nan 32.600 nan 0.000 1.302 2 V N 0.846 120.733 119.914 -0.046 0.000 2.760 2 V HA 0.931 5.040 4.120 -0.017 0.000 0.309 2 V C -0.402 175.594 176.094 -0.163 0.000 1.077 2 V CA -0.746 61.499 62.300 -0.091 0.000 0.910 2 V CB 1.895 33.713 31.823 -0.009 0.000 1.008 2 V HN 1.152 nan 8.190 nan 0.000 0.424 3 R N 1.470 121.748 120.500 -0.371 0.000 2.808 3 R HA 0.844 5.174 4.340 -0.017 0.000 0.272 3 R C -0.599 175.421 176.300 -0.466 0.000 0.995 3 R CA -0.248 55.602 56.100 -0.415 0.000 0.917 3 R CB 2.531 32.474 30.300 -0.594 0.000 1.217 3 R HN 0.982 nan 8.270 nan 0.000 0.471 4 G N 1.334 110.062 108.800 -0.120 0.000 2.692 4 G HA2 0.640 4.590 3.960 -0.017 0.000 0.291 4 G HA3 0.640 4.590 3.960 -0.017 0.000 0.291 4 G C -1.731 173.283 174.900 0.191 0.000 1.423 4 G CA -0.686 44.344 45.100 -0.116 0.000 0.843 4 G HN 0.483 nan 8.290 nan 0.000 0.486 5 F N -1.547 118.357 119.950 -0.077 0.000 2.686 5 F HA 0.785 5.302 4.527 -0.018 0.000 0.311 5 F C -2.061 173.718 175.800 -0.034 0.000 1.128 5 F CA -2.059 55.981 58.000 0.067 0.000 0.946 5 F CB 1.280 40.346 39.000 0.111 0.000 1.336 5 F HN 0.451 nan 8.300 nan 0.000 0.457 6 Y N 2.158 122.695 120.300 0.396 0.000 2.352 6 Y HA 0.682 5.221 4.550 -0.018 0.000 0.339 6 Y C -0.401 175.623 175.900 0.206 0.000 0.992 6 Y CA -0.930 57.327 58.100 0.262 0.000 1.100 6 Y CB 1.816 40.406 38.460 0.217 0.000 1.192 6 Y HN 0.473 nan 8.280 nan 0.000 0.458 7 L N 4.673 126.022 121.223 0.210 0.000 2.309 7 L HA 0.650 4.979 4.340 -0.017 0.000 0.282 7 L C -0.448 176.237 176.870 -0.309 0.000 1.036 7 L CA -0.800 53.992 54.840 -0.081 0.000 0.806 7 L CB 1.472 43.453 42.059 -0.129 0.000 1.220 7 L HN 0.578 nan 8.230 nan 0.000 0.429 8 R N 2.692 122.914 120.500 -0.464 0.000 2.451 8 R HA 0.358 4.687 4.340 -0.017 0.000 0.307 8 R C -0.654 175.398 176.300 -0.414 0.000 0.965 8 R CA -0.420 55.498 56.100 -0.303 0.000 0.865 8 R CB 1.457 31.710 30.300 -0.079 0.000 1.174 8 R HN 0.467 nan 8.270 nan 0.000 0.455 9 F N 0.483 120.502 119.950 0.116 0.000 2.704 9 F HA 0.407 4.924 4.527 -0.017 0.000 0.304 9 F C 1.048 176.901 175.800 0.087 0.000 1.094 9 F CA -0.315 57.742 58.000 0.095 0.000 1.275 9 F CB 1.555 40.613 39.000 0.096 0.000 1.073 9 F HN 0.694 nan 8.300 nan 0.000 0.586 10 G N -0.112 108.814 108.800 0.210 0.000 2.386 10 G HA2 0.429 4.379 3.960 -0.017 0.000 0.302 10 G HA3 0.429 4.379 3.960 -0.017 0.000 0.302 10 G C -1.373 173.600 174.900 0.121 0.000 1.629 10 G CA -0.462 44.729 45.100 0.151 0.000 0.917 10 G HN 0.159 nan 8.290 nan 0.000 0.676 11 E N -0.428 119.815 120.200 0.072 0.000 2.345 11 E HA 0.852 5.192 4.350 -0.017 0.000 0.259 11 E C 1.405 178.018 176.600 0.021 0.000 1.117 11 E CA 0.879 57.300 56.400 0.036 0.000 0.913 11 E CB 0.760 30.465 29.700 0.008 0.000 1.057 11 E HN 2.658 nan 8.360 nan 0.000 0.432 12 G N -1.062 107.715 108.800 -0.037 0.000 2.569 12 G HA2 -0.165 3.785 3.960 -0.017 0.000 0.259 12 G HA3 -0.165 3.785 3.960 -0.017 0.000 0.259 12 G C 0.304 175.153 174.900 -0.085 0.000 1.263 12 G CA 0.015 45.054 45.100 -0.100 0.000 0.928 12 G HN 1.587 nan 8.290 nan 0.000 0.572 13 V N 1.332 121.171 119.914 -0.125 0.000 2.267 13 V HA 0.528 4.638 4.120 -0.017 0.000 0.254 13 V C 0.758 176.843 176.094 -0.016 0.000 1.144 13 V CA 0.781 62.977 62.300 -0.172 0.000 0.992 13 V CB 0.466 32.092 31.823 -0.328 0.000 1.199 13 V HN 1.124 nan 8.190 nan 0.000 0.493 14 S N 2.776 118.564 115.700 0.147 0.000 2.474 14 S HA 0.309 4.769 4.470 -0.017 0.000 0.321 14 S C 0.935 175.741 174.600 0.343 0.000 1.080 14 S CA -0.594 57.726 58.200 0.199 0.000 1.106 14 S CB 1.537 64.834 63.200 0.162 0.000 0.984 14 S HN 0.823 nan 8.310 nan 0.000 0.464 15 E N 2.916 123.305 120.200 0.316 0.000 2.058 15 E HA -0.206 4.134 4.350 -0.017 0.000 0.194 15 E C 1.432 178.121 176.600 0.147 0.000 0.997 15 E CA 1.494 58.056 56.400 0.270 0.000 0.801 15 E CB -0.073 29.735 29.700 0.180 0.000 0.746 15 E HN 0.768 nan 8.360 nan 0.000 0.450 16 E N 0.362 120.633 120.200 0.118 0.000 2.107 16 E HA -0.081 4.259 4.350 -0.017 0.000 0.191 16 E C 1.664 178.309 176.600 0.074 0.000 0.982 16 E CA 1.303 57.744 56.400 0.069 0.000 0.809 16 E CB -0.307 29.427 29.700 0.056 0.000 0.756 16 E HN 0.338 nan 8.360 nan 0.000 0.459 17 A N 0.977 123.882 122.820 0.142 0.000 1.902 17 A HA -0.218 4.091 4.320 -0.017 0.000 0.217 17 A C 2.221 179.916 177.584 0.184 0.000 1.181 17 A CA 1.681 53.835 52.037 0.195 0.000 0.623 17 A CB -0.894 18.261 19.000 0.258 0.000 0.818 17 A HN 0.446 nan 8.150 nan 0.000 0.443 18 N N -0.464 118.360 118.700 0.205 0.000 2.142 18 N HA -0.163 4.566 4.740 -0.017 0.000 0.186 18 N C 1.977 177.500 175.510 0.022 0.000 1.023 18 N CA 1.137 54.282 53.050 0.158 0.000 0.852 18 N CB -0.145 38.449 38.487 0.178 0.000 0.998 18 N HN 0.495 nan 8.380 nan 0.000 0.424 19 R N 0.427 120.919 120.500 -0.014 0.000 2.091 19 R HA -0.125 4.205 4.340 -0.017 0.000 0.238 19 R C 2.368 178.602 176.300 -0.110 0.000 1.136 19 R CA 1.215 57.278 56.100 -0.061 0.000 0.959 19 R CB -0.216 30.054 30.300 -0.049 0.000 0.856 19 R HN 0.139 nan 8.270 nan 0.000 0.437 20 R N 0.944 121.342 120.500 -0.170 0.000 2.070 20 R HA -0.086 4.243 4.340 -0.017 0.000 0.233 20 R C 2.081 178.124 176.300 -0.429 0.000 1.137 20 R CA 1.902 57.769 56.100 -0.388 0.000 0.945 20 R CB -0.637 29.272 30.300 -0.651 0.000 0.845 20 R HN 0.237 nan 8.270 nan 0.000 0.430 21 A N 0.067 122.740 122.820 -0.245 0.000 1.902 21 A HA -0.103 4.206 4.320 -0.017 0.000 0.217 21 A C 2.002 179.586 177.584 -0.001 0.000 1.181 21 A CA 1.310 53.362 52.037 0.026 0.000 0.623 21 A CB -0.560 18.601 19.000 0.268 0.000 0.818 21 A HN 0.295 nan 8.150 nan 0.000 0.443 22 L N -0.475 120.729 121.223 -0.032 0.000 2.056 22 L HA -0.066 4.264 4.340 -0.017 0.000 0.207 22 L C 2.975 179.805 176.870 -0.067 0.000 1.078 22 L CA 1.830 56.644 54.840 -0.044 0.000 0.749 22 L CB -1.016 41.011 42.059 -0.054 0.000 0.901 22 L HN 0.390 nan 8.230 nan 0.000 0.433 23 A N -0.829 121.938 122.820 -0.089 0.000 1.908 23 A HA -0.181 4.129 4.320 -0.017 0.000 0.218 23 A C 2.306 179.843 177.584 -0.079 0.000 1.181 23 A CA 1.744 53.728 52.037 -0.087 0.000 0.627 23 A CB -0.731 18.207 19.000 -0.102 0.000 0.818 23 A HN 0.392 nan 8.150 nan 0.000 0.445 24 L N -1.030 120.143 121.223 -0.083 0.000 2.027 24 L HA -0.140 4.190 4.340 -0.017 0.000 0.206 24 L C 3.137 179.981 176.870 -0.043 0.000 1.074 24 L CA 1.011 55.822 54.840 -0.048 0.000 0.745 24 L CB -0.627 41.426 42.059 -0.010 0.000 0.898 24 L HN 0.425 nan 8.230 nan 0.000 0.433 25 A N 0.064 122.859 122.820 -0.043 0.000 1.883 25 A HA -0.239 4.071 4.320 -0.017 0.000 0.217 25 A C 2.157 179.671 177.584 -0.118 0.000 1.186 25 A CA 1.816 53.809 52.037 -0.075 0.000 0.624 25 A CB -0.508 18.452 19.000 -0.066 0.000 0.822 25 A HN 0.445 nan 8.150 nan 0.000 0.444 26 E N -0.370 119.767 120.200 -0.106 0.000 2.077 26 E HA -0.126 4.213 4.350 -0.017 0.000 0.193 26 E C 2.326 178.870 176.600 -0.093 0.000 0.989 26 E CA 1.007 57.340 56.400 -0.111 0.000 0.800 26 E CB -0.300 29.350 29.700 -0.083 0.000 0.746 26 E HN 0.625 nan 8.360 nan 0.000 0.452 27 A N 0.993 123.769 122.820 -0.073 0.000 1.902 27 A HA -0.163 4.147 4.320 -0.017 0.000 0.217 27 A C 2.173 179.720 177.584 -0.062 0.000 1.181 27 A CA 1.071 53.072 52.037 -0.060 0.000 0.623 27 A CB -0.580 18.390 19.000 -0.049 0.000 0.818 27 A HN 0.131 nan 8.150 nan 0.000 0.443 28 L N -0.848 120.333 121.223 -0.070 0.000 2.056 28 L HA -0.140 4.189 4.340 -0.017 0.000 0.207 28 L C 2.470 179.290 176.870 -0.084 0.000 1.078 28 L CA 1.031 55.828 54.840 -0.071 0.000 0.749 28 L CB -0.448 41.566 42.059 -0.075 0.000 0.901 28 L HN 0.355 nan 8.230 nan 0.000 0.433 29 L N -0.769 120.383 121.223 -0.118 0.000 2.217 29 L HA -0.152 4.177 4.340 -0.017 0.000 0.211 29 L C 2.724 179.538 176.870 -0.094 0.000 1.107 29 L CA 0.778 55.535 54.840 -0.138 0.000 0.783 29 L CB -0.430 41.471 42.059 -0.263 0.000 0.919 29 L HN 0.219 nan 8.230 nan 0.000 0.442 30 R N 0.637 121.089 120.500 -0.080 0.000 2.092 30 R HA -0.037 4.293 4.340 -0.017 0.000 0.231 30 R C 0.563 176.836 176.300 -0.045 0.000 1.119 30 R CA 1.236 57.302 56.100 -0.056 0.000 0.970 30 R CB 0.106 30.375 30.300 -0.051 0.000 0.864 30 R HN 0.272 nan 8.270 nan 0.000 0.440 31 A N 1.455 124.247 122.820 -0.047 0.000 3.300 31 A HA 0.338 4.648 4.320 -0.017 0.000 0.300 31 A C -2.599 174.960 177.584 -0.042 0.000 1.099 31 A CA -1.241 50.772 52.037 -0.039 0.000 0.846 31 A CB 0.768 19.747 19.000 -0.035 0.000 1.255 31 A HN 0.096 nan 8.150 nan 0.000 0.519 32 P HA 0.301 nan 4.420 nan 0.000 0.271 32 P C -2.639 174.635 177.300 -0.042 0.000 1.226 32 P CA -0.695 62.378 63.100 -0.045 0.000 0.765 32 P CB 0.420 32.095 31.700 -0.042 0.000 0.835 33 P HA 0.243 nan 4.420 nan 0.000 0.271 33 P C -2.553 174.722 177.300 -0.043 0.000 1.218 33 P CA -1.745 61.331 63.100 -0.040 0.000 0.780 33 P CB -0.888 30.789 31.700 -0.039 0.000 0.901 34 P HA 0.067 nan 4.420 nan 0.000 0.261 34 P C 1.079 178.353 177.300 -0.044 0.000 1.183 34 P CA 1.340 64.410 63.100 -0.051 0.000 0.761 34 P CB -0.164 31.510 31.700 -0.044 0.000 0.785 35 G N 2.006 110.769 108.800 -0.061 0.000 2.232 35 G HA2 -0.239 3.711 3.960 -0.017 0.000 0.226 35 G HA3 -0.239 3.711 3.960 -0.017 0.000 0.226 35 G C -0.186 174.712 174.900 -0.002 0.000 0.996 35 G CA -0.283 44.797 45.100 -0.033 0.000 0.626 35 G HN 0.595 nan 8.290 nan 0.000 0.509 36 L N 2.029 123.240 121.223 -0.019 0.000 2.418 36 L HA 0.635 4.965 4.340 -0.017 0.000 0.274 36 L C 1.416 178.274 176.870 -0.019 0.000 1.135 36 L CA 0.096 54.933 54.840 -0.005 0.000 0.870 36 L CB 0.619 42.659 42.059 -0.032 0.000 1.154 36 L HN 0.181 nan 8.230 nan 0.000 0.462 37 L N 2.782 124.019 121.223 0.023 0.000 2.425 37 L HA 0.378 4.708 4.340 -0.017 0.000 0.215 37 L C -0.065 176.903 176.870 0.162 0.000 1.065 37 L CA 0.149 55.063 54.840 0.124 0.000 0.842 37 L CB 0.053 42.220 42.059 0.180 0.000 1.033 37 L HN 0.599 nan 8.230 nan 0.000 0.474 38 D N -1.053 119.371 120.400 0.040 0.000 2.663 38 D HA 0.579 5.209 4.640 -0.017 0.000 0.233 38 D C -1.648 174.607 176.300 -0.074 0.000 1.240 38 D CA -0.162 53.851 54.000 0.022 0.000 0.774 38 D CB 2.486 43.321 40.800 0.058 0.000 1.443 38 D HN -0.050 nan 8.370 nan 0.000 0.441 39 A N 1.424 124.215 122.820 -0.049 0.000 2.499 39 A HA 0.597 4.907 4.320 -0.017 0.000 0.280 39 A C -1.418 176.156 177.584 -0.017 0.000 1.135 39 A CA -0.497 51.489 52.037 -0.085 0.000 0.744 39 A CB 0.905 19.841 19.000 -0.107 0.000 1.213 39 A HN 0.208 nan 8.150 nan 0.000 0.434 40 V N 4.955 124.892 119.914 0.039 0.000 2.376 40 V HA 0.533 4.643 4.120 -0.017 0.000 0.287 40 V C -2.451 173.716 176.094 0.122 0.000 1.015 40 V CA -1.478 60.886 62.300 0.106 0.000 0.834 40 V CB 1.734 33.651 31.823 0.157 0.000 1.001 40 V HN 0.789 nan 8.190 nan 0.000 0.428 41 P HA 0.724 nan 4.420 nan 0.000 0.292 41 P C -1.062 176.299 177.300 0.102 0.000 1.283 41 P CA -0.693 62.478 63.100 0.118 0.000 0.835 41 P CB 2.293 34.039 31.700 0.076 0.000 1.017 42 A N 3.048 125.958 122.820 0.149 0.000 2.466 42 A HA 0.640 4.950 4.320 -0.017 0.000 0.284 42 A C -0.766 176.957 177.584 0.231 0.000 1.049 42 A CA -0.502 51.584 52.037 0.082 0.000 0.760 42 A CB 0.137 19.240 19.000 0.172 0.000 1.274 42 A HN 0.496 nan 8.150 nan 0.000 0.412 43 Y N 0.347 120.829 120.300 0.302 0.000 2.864 43 Y HA -0.409 4.131 4.550 -0.017 0.000 0.468 43 Y C 1.942 178.017 175.900 0.292 0.000 1.175 43 Y CA 1.778 60.078 58.100 0.334 0.000 2.601 43 Y CB -1.326 37.262 38.460 0.213 0.000 1.207 43 Y HN 1.087 nan 8.280 nan 0.000 0.627 44 G N 0.251 109.320 108.800 0.448 0.000 3.181 44 G HA2 0.400 4.350 3.960 -0.017 0.000 0.219 44 G HA3 0.400 4.350 3.960 -0.017 0.000 0.219 44 G C -0.670 174.460 174.900 0.383 0.000 1.182 44 G CA 0.674 46.002 45.100 0.381 0.000 0.791 44 G HN 0.296 nan 8.290 nan 0.000 0.537 45 V N 0.646 120.771 119.914 0.351 0.000 2.513 45 V HA 0.563 4.673 4.120 -0.017 0.000 0.299 45 V C -0.754 175.535 176.094 0.324 0.000 1.035 45 V CA -0.997 61.485 62.300 0.304 0.000 0.889 45 V CB 2.029 34.033 31.823 0.302 0.000 0.988 45 V HN 0.109 nan 8.190 nan 0.000 0.440 46 L N 4.947 126.349 121.223 0.299 0.000 2.349 46 L HA 0.566 4.896 4.340 -0.017 0.000 0.278 46 L C -1.255 175.711 176.870 0.162 0.000 0.996 46 L CA -0.426 54.559 54.840 0.242 0.000 0.825 46 L CB 1.362 43.594 42.059 0.288 0.000 1.243 46 L HN 0.647 nan 8.230 nan 0.000 0.412 47 Y N 5.666 125.927 120.300 -0.066 0.000 2.328 47 Y HA 0.673 5.213 4.550 -0.017 0.000 0.337 47 Y C -1.323 174.379 175.900 -0.331 0.000 1.008 47 Y CA -0.869 57.025 58.100 -0.343 0.000 1.129 47 Y CB 1.054 39.278 38.460 -0.394 0.000 1.185 47 Y HN 0.564 nan 8.280 nan 0.000 0.476 48 L N 6.396 126.987 121.223 -1.053 0.000 2.333 48 L HA 0.495 4.825 4.340 -0.017 0.000 0.280 48 L C -0.545 175.716 176.870 -1.015 0.000 1.004 48 L CA -0.686 53.611 54.840 -0.905 0.000 0.820 48 L CB 1.889 43.401 42.059 -0.912 0.000 1.247 48 L HN 0.604 nan 8.230 nan 0.000 0.416 49 E N 3.135 122.971 120.200 -0.606 0.000 2.199 49 E HA 0.528 4.868 4.350 -0.017 0.000 0.269 49 E C -1.840 174.731 176.600 -0.048 0.000 0.899 49 E CA -0.610 55.569 56.400 -0.368 0.000 0.772 49 E CB 1.918 31.467 29.700 -0.252 0.000 1.155 49 E HN 0.446 nan 8.360 nan 0.000 0.408 50 Y N 0.550 120.765 120.300 -0.142 0.000 2.597 50 Y HA 0.415 4.955 4.550 -0.016 0.000 0.340 50 Y C -1.235 174.647 175.900 -0.031 0.000 1.097 50 Y CA -1.553 56.501 58.100 -0.077 0.000 1.037 50 Y CB 0.974 39.397 38.460 -0.061 0.000 1.305 50 Y HN 0.239 nan 8.280 nan 0.000 0.463 51 D N 4.075 124.495 120.400 0.032 0.000 2.380 51 D HA 0.309 4.939 4.640 -0.017 0.000 0.230 51 D C -1.827 174.524 176.300 0.084 0.000 1.154 51 D CA -2.713 51.273 54.000 -0.023 0.000 0.859 51 D CB 1.612 42.391 40.800 -0.035 0.000 1.045 51 D HN 0.417 nan 8.370 nan 0.000 0.495 52 P HA -0.114 nan 4.420 nan 0.000 0.225 52 P C 1.228 178.586 177.300 0.096 0.000 1.148 52 P CA 0.361 63.561 63.100 0.166 0.000 0.779 52 P CB 0.370 32.125 31.700 0.091 0.000 0.780 53 R N -0.160 120.365 120.500 0.042 0.000 2.148 53 R HA 0.062 4.392 4.340 -0.017 0.000 0.227 53 R C 2.480 178.791 176.300 0.019 0.000 1.103 53 R CA 1.129 57.241 56.100 0.021 0.000 0.983 53 R CB -1.136 29.163 30.300 -0.002 0.000 0.874 53 R HN 0.399 nan 8.270 nan 0.000 0.451 54 R N -1.370 119.146 120.500 0.026 0.000 2.250 54 R HA 0.315 4.645 4.340 -0.017 0.000 0.194 54 R C -0.287 176.028 176.300 0.024 0.000 0.927 54 R CA 0.037 56.144 56.100 0.011 0.000 1.052 54 R CB 0.465 30.757 30.300 -0.014 0.000 1.055 54 R HN 0.082 nan 8.270 nan 0.000 0.537 55 L N 1.219 122.484 121.223 0.069 0.000 2.441 55 L HA 0.314 4.644 4.340 -0.017 0.000 0.270 55 L C -0.535 176.383 176.870 0.079 0.000 0.973 55 L CA -0.618 54.253 54.840 0.052 0.000 0.842 55 L CB 1.849 43.935 42.059 0.045 0.000 1.239 55 L HN 0.031 nan 8.230 nan 0.000 0.406 56 S N 3.866 119.570 115.700 0.005 0.000 2.592 56 S HA 0.360 4.820 4.470 -0.017 0.000 0.271 56 S C 1.173 175.665 174.600 -0.180 0.000 1.326 56 S CA -0.229 57.966 58.200 -0.008 0.000 1.024 56 S CB 1.208 64.401 63.200 -0.012 0.000 0.921 56 S HN 0.835 nan 8.310 nan 0.000 0.527 57 R N 1.573 121.948 120.500 -0.208 0.000 2.091 57 R HA -0.101 4.229 4.340 -0.017 0.000 0.238 57 R C 2.238 178.394 176.300 -0.241 0.000 1.136 57 R CA 1.804 57.692 56.100 -0.353 0.000 0.959 57 R CB -1.300 28.866 30.300 -0.223 0.000 0.856 57 R HN 0.896 nan 8.270 nan 0.000 0.437 58 G N -0.447 108.261 108.800 -0.154 0.000 2.418 58 G HA2 -0.333 3.617 3.960 -0.017 0.000 0.217 58 G HA3 -0.333 3.617 3.960 -0.017 0.000 0.217 58 G C 1.819 176.663 174.900 -0.093 0.000 1.158 58 G CA 1.192 46.222 45.100 -0.117 0.000 0.771 58 G HN 0.517 nan 8.290 nan 0.000 0.545 59 R N 0.095 120.543 120.500 -0.085 0.000 2.081 59 R HA 0.156 4.486 4.340 -0.017 0.000 0.235 59 R C 2.462 178.719 176.300 -0.072 0.000 1.131 59 R CA 1.685 57.745 56.100 -0.066 0.000 0.960 59 R CB -1.207 29.060 30.300 -0.055 0.000 0.856 59 R HN 0.426 nan 8.270 nan 0.000 0.436 60 L N 0.502 121.661 121.223 -0.107 0.000 2.046 60 L HA 0.025 4.355 4.340 -0.017 0.000 0.208 60 L C 2.429 179.285 176.870 -0.023 0.000 1.077 60 L CA 1.649 56.438 54.840 -0.084 0.000 0.747 60 L CB -0.380 41.586 42.059 -0.156 0.000 0.896 60 L HN 0.411 nan 8.230 nan 0.000 0.432 61 L N -0.874 120.325 121.223 -0.040 0.000 2.083 61 L HA -0.201 4.128 4.340 -0.017 0.000 0.209 61 L C 2.740 179.602 176.870 -0.015 0.000 1.083 61 L CA 1.275 56.103 54.840 -0.020 0.000 0.752 61 L CB -0.533 41.468 42.059 -0.096 0.000 0.899 61 L HN 0.286 nan 8.230 nan 0.000 0.433 62 R N 0.858 121.339 120.500 -0.032 0.000 2.081 62 R HA -0.134 4.196 4.340 -0.017 0.000 0.235 62 R C 2.112 178.403 176.300 -0.015 0.000 1.131 62 R CA 1.610 57.696 56.100 -0.023 0.000 0.960 62 R CB -0.828 29.454 30.300 -0.030 0.000 0.856 62 R HN 0.236 nan 8.270 nan 0.000 0.436 63 L N 0.130 121.341 121.223 -0.019 0.000 2.043 63 L HA -0.210 4.120 4.340 -0.017 0.000 0.212 63 L C 2.376 179.243 176.870 -0.006 0.000 1.075 63 L CA 1.471 56.301 54.840 -0.017 0.000 0.752 63 L CB -0.512 41.532 42.059 -0.025 0.000 0.891 63 L HN 0.231 nan 8.230 nan 0.000 0.432 64 L N -0.591 120.638 121.223 0.010 0.000 2.127 64 L HA -0.256 4.074 4.340 -0.017 0.000 0.211 64 L C 2.812 179.695 176.870 0.023 0.000 1.089 64 L CA 1.197 56.054 54.840 0.028 0.000 0.757 64 L CB -0.546 41.555 42.059 0.071 0.000 0.899 64 L HN 0.092 nan 8.230 nan 0.000 0.434 65 K N -0.320 120.090 120.400 0.017 0.000 2.211 65 K HA 0.000 4.310 4.320 -0.017 0.000 0.203 65 K C 1.888 178.488 176.600 0.001 0.000 1.050 65 K CA 0.859 57.153 56.287 0.013 0.000 0.945 65 K CB -0.771 31.734 32.500 0.009 0.000 0.732 65 K HN 0.631 nan 8.250 nan 0.000 0.451 66 G N -0.021 108.776 108.800 -0.004 0.000 2.939 66 G HA2 0.180 4.130 3.960 -0.017 0.000 0.210 66 G HA3 0.180 4.130 3.960 -0.017 0.000 0.210 66 G C 0.467 175.359 174.900 -0.014 0.000 1.160 66 G CA -0.242 44.852 45.100 -0.010 0.000 0.770 66 G HN 0.274 nan 8.290 nan 0.000 0.543 67 L N 0.899 122.114 121.223 -0.014 0.000 2.453 67 L HA 0.309 4.639 4.340 -0.017 0.000 0.261 67 L C -1.385 175.471 176.870 -0.024 0.000 1.179 67 L CA -1.741 53.086 54.840 -0.021 0.000 0.813 67 L CB 0.334 42.380 42.059 -0.023 0.000 1.110 67 L HN -0.011 nan 8.230 nan 0.000 0.466 77 V N 4.906 124.819 119.914 -0.001 0.000 2.370 77 V HA 0.406 4.516 4.120 -0.017 0.000 0.279 77 V C 0.095 176.185 176.094 -0.007 0.000 1.029 77 V CA -0.624 61.675 62.300 -0.002 0.000 0.870 77 V CB 1.636 33.460 31.823 0.002 0.000 0.984 77 V HN 0.416 nan 8.190 nan 0.000 0.451 78 V N 3.799 123.702 119.914 -0.018 0.000 2.398 78 V HA 0.614 4.724 4.120 -0.017 0.000 0.286 78 V C 0.463 176.522 176.094 -0.059 0.000 1.026 78 V CA -0.490 61.792 62.300 -0.030 0.000 0.868 78 V CB 1.542 33.347 31.823 -0.030 0.000 0.982 78 V HN 1.029 nan 8.190 nan 0.000 0.443 79 E N 5.243 125.416 120.200 -0.044 0.000 2.227 79 E HA 0.614 4.954 4.350 -0.017 0.000 0.282 79 E C -0.690 175.869 176.600 -0.067 0.000 1.015 79 E CA -0.577 55.794 56.400 -0.047 0.000 0.823 79 E CB 1.286 30.981 29.700 -0.008 0.000 1.081 79 E HN 0.548 nan 8.360 nan 0.000 0.396 80 I N 4.382 124.885 120.570 -0.112 0.000 2.405 80 I HA 0.276 4.436 4.170 -0.017 0.000 0.280 80 I C -2.613 173.542 176.117 0.063 0.000 1.027 80 I CA -3.001 58.255 61.300 -0.074 0.000 1.161 80 I CB 1.038 38.890 38.000 -0.246 0.000 1.300 80 I HN 0.301 nan 8.210 nan 0.000 0.463 81 P HA 0.191 nan 4.420 nan 0.000 0.271 81 P C -0.575 176.763 177.300 0.063 0.000 1.216 81 P CA -0.001 63.142 63.100 0.071 0.000 0.771 81 P CB 0.863 32.584 31.700 0.034 0.000 0.864 82 V N 1.030 120.964 119.914 0.032 0.000 2.760 82 V HA 0.560 4.670 4.120 -0.017 0.000 0.309 82 V C -0.353 175.604 176.094 -0.230 0.000 1.077 82 V CA -1.090 61.129 62.300 -0.136 0.000 0.910 82 V CB 2.309 33.957 31.823 -0.290 0.000 1.008 82 V HN 0.380 nan 8.190 nan 0.000 0.424 83 R N 2.776 123.153 120.500 -0.205 0.000 2.207 83 R HA 0.424 4.754 4.340 -0.017 0.000 0.334 83 R C -1.429 174.750 176.300 -0.202 0.000 1.013 83 R CA -0.599 55.428 56.100 -0.122 0.000 0.858 83 R CB 0.719 30.992 30.300 -0.045 0.000 1.094 83 R HN 0.847 nan 8.270 nan 0.000 0.457 84 Y N 4.077 124.387 120.300 0.018 0.000 2.667 84 Y HA 0.059 4.598 4.550 -0.017 0.000 0.340 84 Y C 0.414 176.310 175.900 -0.008 0.000 1.303 84 Y CA -0.301 57.793 58.100 -0.009 0.000 1.769 84 Y CB 0.317 38.772 38.460 -0.008 0.000 1.804 84 Y HN 0.612 nan 8.280 nan 0.000 0.451 85 D N -0.875 119.564 120.400 0.065 0.000 2.538 85 D HA 0.139 4.769 4.640 -0.017 0.000 0.231 85 D C 0.857 177.174 176.300 0.029 0.000 1.229 85 D CA -0.301 53.726 54.000 0.046 0.000 0.828 85 D CB -0.070 40.745 40.800 0.024 0.000 1.035 85 D HN 0.386 nan 8.370 nan 0.000 0.495 86 G N 0.699 109.519 108.800 0.034 0.000 2.432 86 G HA2 0.012 3.962 3.960 -0.017 0.000 0.239 86 G HA3 0.012 3.962 3.960 -0.017 0.000 0.239 86 G C 0.625 175.535 174.900 0.017 0.000 1.291 86 G CA -0.375 44.735 45.100 0.016 0.000 0.863 86 G HN 0.219 nan 8.290 nan 0.000 0.560 87 E N 0.683 120.888 120.200 0.008 0.000 2.204 87 E HA -0.133 4.207 4.350 -0.017 0.000 0.195 87 E C 0.779 177.386 176.600 0.012 0.000 0.990 87 E CA 1.174 57.578 56.400 0.008 0.000 0.821 87 E CB 0.198 29.899 29.700 0.002 0.000 0.750 87 E HN 0.525 nan 8.360 nan 0.000 0.477 88 D N 0.052 120.460 120.400 0.014 0.000 2.349 88 D HA -0.038 4.592 4.640 -0.017 0.000 0.214 88 D C 1.633 177.939 176.300 0.010 0.000 1.063 88 D CA -0.072 53.937 54.000 0.014 0.000 0.847 88 D CB 0.309 41.121 40.800 0.021 0.000 0.933 88 D HN 0.184 nan 8.370 nan 0.000 0.513 89 L N 1.815 123.046 121.223 0.013 0.000 2.012 89 L HA -0.073 4.257 4.340 -0.017 0.000 0.210 89 L C -0.900 175.971 176.870 0.002 0.000 1.073 89 L CA 2.173 57.019 54.840 0.010 0.000 0.748 89 L CB -1.266 40.809 42.059 0.028 0.000 0.891 89 L HN -0.066 nan 8.230 nan 0.000 0.431 90 P HA -0.190 nan 4.420 nan 0.000 0.216 90 P C 1.460 178.760 177.300 -0.000 0.000 1.153 90 P CA 1.495 64.596 63.100 0.002 0.000 0.848 90 P CB -0.000 31.703 31.700 0.005 0.000 0.787 91 E N -0.268 119.933 120.200 0.002 0.000 2.072 91 E HA -0.123 4.217 4.350 -0.017 0.000 0.191 91 E C 1.831 178.428 176.600 -0.005 0.000 0.985 91 E CA 0.980 57.380 56.400 0.000 0.000 0.801 91 E CB -0.297 29.406 29.700 0.005 0.000 0.750 91 E HN -0.079 nan 8.360 nan 0.000 0.452 92 V N 1.503 121.413 119.914 -0.007 0.000 2.287 92 V HA -0.310 3.800 4.120 -0.017 0.000 0.248 92 V C 2.526 178.611 176.094 -0.016 0.000 1.053 92 V CA 1.957 64.249 62.300 -0.014 0.000 1.027 92 V CB -0.926 30.887 31.823 -0.016 0.000 0.646 92 V HN 0.442 nan 8.190 nan 0.000 0.447 93 A N -0.772 122.039 122.820 -0.015 0.000 1.883 93 A HA -0.278 4.031 4.320 -0.017 0.000 0.217 93 A C 2.565 180.141 177.584 -0.013 0.000 1.186 93 A CA 2.497 54.524 52.037 -0.016 0.000 0.624 93 A CB -0.931 18.059 19.000 -0.016 0.000 0.822 93 A HN 0.483 nan 8.150 nan 0.000 0.444 94 S N -0.729 114.965 115.700 -0.010 0.000 2.356 94 S HA -0.182 4.278 4.470 -0.017 0.000 0.223 94 S C 2.151 176.745 174.600 -0.010 0.000 1.032 94 S CA 1.542 59.737 58.200 -0.008 0.000 1.005 94 S CB -0.317 62.880 63.200 -0.005 0.000 0.867 94 S HN 0.614 nan 8.310 nan 0.000 0.449 95 R N 0.078 120.571 120.500 -0.012 0.000 2.189 95 R HA 0.113 4.443 4.340 -0.017 0.000 0.223 95 R C 1.662 177.952 176.300 -0.017 0.000 1.092 95 R CA 0.953 57.045 56.100 -0.014 0.000 0.989 95 R CB -0.185 30.105 30.300 -0.016 0.000 0.876 95 R HN 0.409 nan 8.270 nan 0.000 0.457 96 L N -0.897 120.316 121.223 -0.017 0.000 2.640 96 L HA 0.269 4.599 4.340 -0.017 0.000 0.230 96 L C 0.883 177.744 176.870 -0.015 0.000 1.123 96 L CA 0.072 54.901 54.840 -0.018 0.000 0.900 96 L CB 0.631 42.679 42.059 -0.019 0.000 1.146 96 L HN 0.349 nan 8.230 nan 0.000 0.484 97 G N 1.180 109.972 108.800 -0.013 0.000 2.176 97 G HA2 -0.271 3.679 3.960 -0.017 0.000 0.252 97 G HA3 -0.271 3.679 3.960 -0.017 0.000 0.252 97 G C -0.068 174.824 174.900 -0.012 0.000 1.024 97 G CA 0.141 45.234 45.100 -0.012 0.000 0.755 97 G HN 0.241 nan 8.290 nan 0.000 0.507 98 L N 0.566 121.781 121.223 -0.014 0.000 2.330 98 L HA 0.701 5.031 4.340 -0.017 0.000 0.271 98 L C 1.235 178.095 176.870 -0.016 0.000 1.013 98 L CA -0.542 54.288 54.840 -0.016 0.000 0.816 98 L CB 1.866 43.913 42.059 -0.019 0.000 1.287 98 L HN 0.366 nan 8.230 nan 0.000 0.435 99 S N 0.656 116.346 115.700 -0.017 0.000 2.600 99 S HA 0.196 4.656 4.470 -0.017 0.000 0.265 99 S C 1.001 175.586 174.600 -0.026 0.000 1.325 99 S CA -0.627 57.562 58.200 -0.018 0.000 1.002 99 S CB 0.868 64.058 63.200 -0.016 0.000 0.921 99 S HN 0.437 nan 8.310 nan 0.000 0.554 100 L N 1.193 122.401 121.223 -0.024 0.000 2.042 100 L HA -0.028 4.302 4.340 -0.017 0.000 0.210 100 L C 2.761 179.597 176.870 -0.057 0.000 1.076 100 L CA 1.751 56.571 54.840 -0.033 0.000 0.749 100 L CB -1.443 40.605 42.059 -0.017 0.000 0.893 100 L HN 0.717 nan 8.230 nan 0.000 0.432 101 E N -0.485 119.688 120.200 -0.046 0.000 2.150 101 E HA -0.121 4.219 4.350 -0.017 0.000 0.193 101 E C 2.297 178.856 176.600 -0.068 0.000 0.985 101 E CA 1.191 57.556 56.400 -0.057 0.000 0.814 101 E CB -0.254 29.427 29.700 -0.031 0.000 0.752 101 E HN 0.460 nan 8.360 nan 0.000 0.466 102 A N 1.013 123.804 122.820 -0.049 0.000 1.898 102 A HA -0.120 4.190 4.320 -0.017 0.000 0.216 102 A C 2.614 180.165 177.584 -0.054 0.000 1.181 102 A CA 1.250 53.262 52.037 -0.042 0.000 0.620 102 A CB -0.628 18.356 19.000 -0.027 0.000 0.819 102 A HN 0.126 nan 8.150 nan 0.000 0.442 103 V N 0.360 120.233 119.914 -0.067 0.000 2.287 103 V HA -0.315 3.794 4.120 -0.017 0.000 0.248 103 V C 2.475 178.481 176.094 -0.146 0.000 1.053 103 V CA 2.458 64.711 62.300 -0.078 0.000 1.027 103 V CB -0.726 31.051 31.823 -0.076 0.000 0.646 103 V HN 0.563 nan 8.190 nan 0.000 0.447 104 K N 0.228 120.465 120.400 -0.271 0.000 2.032 104 K HA -0.171 4.139 4.320 -0.017 0.000 0.209 104 K C 2.311 178.742 176.600 -0.282 0.000 1.048 104 K CA 1.598 57.552 56.287 -0.555 0.000 0.927 104 K CB -0.470 31.681 32.500 -0.582 0.000 0.712 104 K HN 0.485 nan 8.250 nan 0.000 0.441 105 A N 1.462 124.201 122.820 -0.135 0.000 1.902 105 A HA -0.124 4.186 4.320 -0.017 0.000 0.217 105 A C 2.166 179.749 177.584 -0.002 0.000 1.181 105 A CA 1.209 53.219 52.037 -0.045 0.000 0.623 105 A CB -0.644 18.338 19.000 -0.029 0.000 0.818 105 A HN 0.154 nan 8.150 nan 0.000 0.443 106 L N -1.403 119.820 121.223 -0.001 0.000 2.046 106 L HA -0.230 4.100 4.340 -0.017 0.000 0.208 106 L C 2.715 179.639 176.870 0.091 0.000 1.077 106 L CA 1.711 56.570 54.840 0.031 0.000 0.747 106 L CB -0.661 41.414 42.059 0.025 0.000 0.896 106 L HN 0.608 nan 8.230 nan 0.000 0.432 107 H N 0.259 119.338 119.070 0.015 0.000 2.387 107 H HA -0.168 4.377 4.556 -0.017 0.000 0.299 107 H C 1.965 177.456 175.328 0.272 0.000 1.090 107 H CA 1.663 57.778 56.048 0.112 0.000 1.332 107 H CB 0.332 30.105 29.762 0.018 0.000 1.386 107 H HN 0.478 nan 8.280 nan 0.000 0.516 108 Q N 0.152 120.064 119.800 0.186 0.000 2.432 108 Q HA -0.048 4.281 4.340 -0.017 0.000 0.205 108 Q C 2.226 178.315 176.000 0.148 0.000 0.945 108 Q CA 0.272 56.221 55.803 0.244 0.000 0.924 108 Q CB 0.367 29.244 28.738 0.232 0.000 1.016 108 Q HN 0.339 nan 8.270 nan 0.000 0.503 109 K N 0.911 121.349 120.400 0.063 0.000 2.026 109 K HA -0.053 4.257 4.320 -0.017 0.000 0.208 109 K C -1.472 175.083 176.600 -0.075 0.000 1.048 109 K CA 0.597 56.884 56.287 -0.000 0.000 0.929 109 K CB -0.553 31.938 32.500 -0.014 0.000 0.713 109 K HN 0.099 nan 8.250 nan 0.000 0.439 110 P HA -0.001 nan 4.420 nan 0.000 0.274 110 P C -1.192 175.908 177.300 -0.334 0.000 1.237 110 P CA -0.229 62.628 63.100 -0.404 0.000 0.793 110 P CB 0.553 31.729 31.700 -0.872 0.000 0.977 111 L N 3.543 124.642 121.223 -0.207 0.000 2.282 111 L HA 0.289 4.619 4.340 -0.017 0.000 0.287 111 L C -0.901 175.923 176.870 -0.077 0.000 1.075 111 L CA -0.414 54.377 54.840 -0.082 0.000 0.839 111 L CB -1.240 40.803 42.059 -0.027 0.000 1.219 111 L HN 0.198 nan 8.230 nan 0.000 0.434 112 Y N 4.065 124.411 120.300 0.077 0.000 2.299 112 Y HA 0.429 4.968 4.550 -0.017 0.000 0.335 112 Y C 0.724 176.681 175.900 0.094 0.000 1.287 112 Y CA -0.150 58.025 58.100 0.125 0.000 1.424 112 Y CB 0.628 39.190 38.460 0.170 0.000 1.326 112 Y HN 0.511 nan 8.280 nan 0.000 0.567 113 R N 0.561 121.255 120.500 0.324 0.000 2.599 113 R HA 0.579 4.908 4.340 -0.017 0.000 0.295 113 R C -1.908 174.485 176.300 0.156 0.000 0.963 113 R CA -0.787 55.381 56.100 0.114 0.000 0.883 113 R CB 1.298 31.535 30.300 -0.105 0.000 1.171 113 R HN 0.549 nan 8.270 nan 0.000 0.450 114 V N 6.139 126.082 119.914 0.049 0.000 2.381 114 V HA 0.049 4.159 4.120 -0.017 0.000 0.257 114 V C 0.179 176.256 176.094 -0.029 0.000 1.057 114 V CA 0.234 62.584 62.300 0.083 0.000 1.013 114 V CB 0.273 32.124 31.823 0.047 0.000 1.069 114 V HN 0.824 nan 8.190 nan 0.000 0.484 115 Y N 3.161 123.486 120.300 0.041 0.000 2.490 115 Y HA 0.462 5.002 4.550 -0.017 0.000 0.285 115 Y C 1.203 176.926 175.900 -0.296 0.000 1.117 115 Y CA 0.864 58.904 58.100 -0.101 0.000 1.262 115 Y CB 0.468 38.872 38.460 -0.093 0.000 1.043 115 Y HN 0.682 nan 8.280 nan 0.000 0.553 116 A N -0.301 122.472 122.820 -0.077 0.000 2.612 116 A HA 0.654 4.964 4.320 -0.017 0.000 0.293 116 A C -2.317 175.192 177.584 -0.124 0.000 1.075 116 A CA -0.585 51.361 52.037 -0.153 0.000 0.680 116 A CB 1.294 20.146 19.000 -0.247 0.000 1.279 116 A HN -0.002 nan 8.150 nan 0.000 0.411 117 L N 0.658 121.781 121.223 -0.167 0.000 2.470 117 L HA 0.755 5.085 4.340 -0.017 0.000 0.268 117 L C 0.457 177.196 176.870 -0.219 0.000 0.964 117 L CA 1.317 56.057 54.840 -0.167 0.000 0.839 117 L CB 2.096 44.091 42.059 -0.107 0.000 1.276 117 L HN 2.092 nan 8.230 nan 0.000 0.403 118 G N 3.157 111.814 108.800 -0.239 0.000 2.147 118 G HA2 -0.281 3.669 3.960 -0.017 0.000 0.128 118 G HA3 -0.281 3.669 3.960 -0.017 0.000 0.128 118 G C 0.476 175.232 174.900 -0.241 0.000 1.026 118 G CA 0.193 45.172 45.100 -0.202 0.000 0.693 118 G HN 0.669 nan 8.290 nan 0.000 0.499 119 F N 2.156 121.765 119.950 -0.569 0.000 2.120 119 F HA 0.055 4.572 4.527 -0.017 0.000 0.300 119 F C 1.792 177.411 175.800 -0.301 0.000 1.095 119 F CA 2.602 60.270 58.000 -0.553 0.000 1.249 119 F CB 0.237 38.647 39.000 -0.984 0.000 0.995 119 F HN 0.420 nan 8.300 nan 0.000 0.480 120 T N -2.717 111.785 114.554 -0.087 0.000 2.930 120 T HA 0.465 4.805 4.350 -0.017 0.000 0.290 120 T C -2.834 171.822 174.700 -0.073 0.000 1.052 120 T CA -2.521 59.537 62.100 -0.070 0.000 1.017 120 T CB 1.618 70.536 68.868 0.082 0.000 1.137 120 T HN -0.321 nan 8.240 nan 0.000 0.511 121 P HA 0.220 nan 4.420 nan 0.000 0.258 121 P C 1.152 178.309 177.300 -0.238 0.000 1.172 121 P CA 1.604 64.552 63.100 -0.252 0.000 0.762 121 P CB -0.062 31.341 31.700 -0.496 0.000 0.764 122 G N 2.838 111.676 108.800 0.065 0.000 2.179 122 G HA2 -0.301 3.648 3.960 -0.017 0.000 0.260 122 G HA3 -0.301 3.648 3.960 -0.017 0.000 0.260 122 G C 0.053 175.039 174.900 0.144 0.000 0.977 122 G CA -0.531 44.715 45.100 0.243 0.000 0.641 122 G HN 0.506 nan 8.290 nan 0.000 0.533 123 F N 4.352 124.247 119.950 -0.092 0.000 2.494 123 F HA 0.495 5.012 4.527 -0.017 0.000 0.369 123 F C -1.535 174.151 175.800 -0.190 0.000 1.098 123 F CA -2.698 55.219 58.000 -0.139 0.000 1.154 123 F CB 0.924 39.792 39.000 -0.219 0.000 1.103 123 F HN 0.020 nan 8.300 nan 0.000 0.549 124 P HA 0.177 nan 4.420 nan 0.000 0.290 124 P C -1.141 176.460 177.300 0.502 0.000 1.276 124 P CA -0.300 62.948 63.100 0.247 0.000 0.808 124 P CB 0.871 32.682 31.700 0.184 0.000 0.966 125 F N 3.103 123.208 119.950 0.258 0.000 2.361 125 F HA 0.405 4.921 4.527 -0.017 0.000 0.364 125 F C 0.535 176.524 175.800 0.314 0.000 1.120 125 F CA -0.957 57.227 58.000 0.307 0.000 1.102 125 F CB 0.436 39.579 39.000 0.239 0.000 1.183 125 F HN 0.071 nan 8.300 nan 0.000 0.476 126 L N 3.267 124.805 121.223 0.526 0.000 2.334 126 L HA 0.914 5.244 4.340 -0.017 0.000 0.276 126 L C -0.131 177.018 176.870 0.464 0.000 1.014 126 L CA -0.730 54.376 54.840 0.442 0.000 0.815 126 L CB 1.833 44.047 42.059 0.259 0.000 1.268 126 L HN 0.660 nan 8.230 nan 0.000 0.428 127 A N 1.990 125.166 122.820 0.594 0.000 2.587 127 A HA 0.723 5.033 4.320 -0.017 0.000 0.293 127 A C -1.391 176.500 177.584 0.512 0.000 1.087 127 A CA -0.644 51.670 52.037 0.463 0.000 0.692 127 A CB 1.573 20.640 19.000 0.110 0.000 1.291 127 A HN 0.685 nan 8.150 nan 0.000 0.407 128 E N 0.531 120.892 120.200 0.268 0.000 2.166 128 E HA 0.472 4.811 4.350 -0.017 0.000 0.275 128 E C -0.828 175.868 176.600 0.160 0.000 0.941 128 E CA -0.837 55.664 56.400 0.168 0.000 0.784 128 E CB 2.144 31.880 29.700 0.059 0.000 1.115 128 E HN 0.400 nan 8.360 nan 0.000 0.399 129 V N 3.863 123.920 119.914 0.238 0.000 2.673 129 V HA -0.069 4.041 4.120 -0.017 0.000 0.303 129 V C 0.715 176.850 176.094 0.067 0.000 1.046 129 V CA 0.060 62.486 62.300 0.209 0.000 1.126 129 V CB 0.410 32.324 31.823 0.150 0.000 0.934 129 V HN 0.637 nan 8.190 nan 0.000 0.487 130 E N 6.291 126.516 120.200 0.042 0.000 2.481 130 E HA -0.022 4.318 4.350 -0.017 0.000 0.263 130 E C -1.467 175.136 176.600 0.005 0.000 0.992 130 E CA -1.299 55.105 56.400 0.006 0.000 0.938 130 E CB 0.406 30.108 29.700 0.004 0.000 0.933 130 E HN 0.421 nan 8.360 nan 0.000 0.453 131 P HA -0.230 nan 4.420 nan 0.000 0.216 131 P C 0.979 178.271 177.300 -0.014 0.000 1.154 131 P CA 2.225 65.316 63.100 -0.014 0.000 0.865 131 P CB 0.153 31.844 31.700 -0.016 0.000 0.789 132 A N -1.485 121.330 122.820 -0.009 0.000 2.125 132 A HA -0.114 4.196 4.320 -0.017 0.000 0.219 132 A C 1.894 179.473 177.584 -0.008 0.000 1.156 132 A CA 1.104 53.135 52.037 -0.010 0.000 0.671 132 A CB -1.226 17.770 19.000 -0.008 0.000 0.794 132 A HN 0.197 nan 8.150 nan 0.000 0.459 133 L N -0.663 120.561 121.223 0.001 0.000 2.667 133 L HA 0.282 4.611 4.340 -0.017 0.000 0.232 133 L C 0.550 177.413 176.870 -0.012 0.000 1.138 133 L CA -0.020 54.824 54.840 0.007 0.000 0.921 133 L CB -0.184 41.903 42.059 0.046 0.000 1.180 133 L HN 0.179 nan 8.230 nan 0.000 0.487 134 R N 1.438 121.922 120.500 -0.028 0.000 2.267 134 R HA 0.560 4.890 4.340 -0.017 0.000 0.319 134 R C -0.797 175.461 176.300 -0.070 0.000 1.067 134 R CA -0.099 55.966 56.100 -0.058 0.000 0.936 134 R CB 0.430 30.694 30.300 -0.060 0.000 1.006 134 R HN 0.303 nan 8.270 nan 0.000 0.452 135 L N 0.695 121.860 121.223 -0.097 0.000 2.465 135 L HA 0.739 5.069 4.340 -0.017 0.000 0.257 135 L C -2.900 173.892 176.870 -0.130 0.000 0.988 135 L CA -2.791 51.993 54.840 -0.093 0.000 0.827 135 L CB 2.534 44.553 42.059 -0.066 0.000 1.397 135 L HN 0.290 nan 8.230 nan 0.000 0.410 136 P HA 0.204 nan 4.420 nan 0.000 0.272 136 P C -0.969 176.258 177.300 -0.121 0.000 1.230 136 P CA -0.382 62.644 63.100 -0.124 0.000 0.788 136 P CB 0.459 32.108 31.700 -0.084 0.000 0.949 137 R N 1.064 121.484 120.500 -0.133 0.000 2.863 137 R HA 0.213 4.543 4.340 -0.017 0.000 0.273 137 R C -0.272 176.025 176.300 -0.004 0.000 1.057 137 R CA -0.294 55.772 56.100 -0.056 0.000 1.191 137 R CB 0.033 30.344 30.300 0.018 0.000 1.104 137 R HN 0.314 nan 8.270 nan 0.000 0.519 138 K N 1.096 121.524 120.400 0.047 0.000 2.355 138 K HA 0.059 4.369 4.320 -0.017 0.000 0.270 138 K C -1.662 174.932 176.600 -0.009 0.000 1.003 138 K CA -1.297 55.008 56.287 0.030 0.000 0.957 138 K CB 0.554 33.096 32.500 0.070 0.000 0.939 138 K HN 0.463 nan 8.250 nan 0.000 0.482 139 P HA -0.142 nan 4.420 nan 0.000 0.216 139 P C -0.359 176.711 177.300 -0.383 0.000 1.150 139 P CA 1.438 64.386 63.100 -0.252 0.000 0.837 139 P CB 0.236 31.734 31.700 -0.337 0.000 0.786 140 H N -1.356 117.748 119.070 0.056 0.000 2.547 140 H HA 0.307 4.852 4.556 -0.017 0.000 0.342 140 H C -2.210 173.160 175.328 0.071 0.000 1.048 140 H CA -2.443 53.641 56.048 0.061 0.000 1.204 140 H CB 1.085 30.874 29.762 0.045 0.000 1.493 140 H HN 0.052 nan 8.280 nan 0.000 0.511 141 P HA 0.186 nan 4.420 nan 0.000 0.274 141 P C -0.005 177.368 177.300 0.122 0.000 1.237 141 P CA -0.541 62.652 63.100 0.154 0.000 0.793 141 P CB 1.514 33.309 31.700 0.159 0.000 0.977 142 R N 2.423 122.977 120.500 0.089 0.000 2.491 142 R HA 0.111 4.440 4.340 -0.017 0.000 0.283 142 R C -1.201 175.130 176.300 0.052 0.000 1.072 142 R CA -1.205 54.926 56.100 0.052 0.000 1.048 142 R CB 0.053 30.361 30.300 0.013 0.000 0.983 142 R HN 0.434 nan 8.270 nan 0.000 0.450 143 P HA -0.128 nan 4.420 nan 0.000 0.221 143 P C -0.095 177.225 177.300 0.033 0.000 1.150 143 P CA 1.258 64.384 63.100 0.042 0.000 0.800 143 P CB 0.402 32.120 31.700 0.030 0.000 0.787 144 R N 0.050 120.556 120.500 0.010 0.000 2.507 144 R HA 0.418 4.747 4.340 -0.017 0.000 0.298 144 R C -1.539 174.726 176.300 -0.057 0.000 1.087 144 R CA -0.506 55.588 56.100 -0.009 0.000 0.917 144 R CB 1.656 31.953 30.300 -0.004 0.000 1.173 144 R HN -0.235 nan 8.270 nan 0.000 0.472 145 V N 6.417 126.259 119.914 -0.120 0.000 2.509 145 V HA 0.395 4.505 4.120 -0.017 0.000 0.284 145 V C -1.817 174.159 176.094 -0.197 0.000 1.047 145 V CA -1.778 60.367 62.300 -0.258 0.000 0.952 145 V CB 1.515 32.946 31.823 -0.653 0.000 0.988 145 V HN 0.712 nan 8.190 nan 0.000 0.469 146 P HA 0.218 nan 4.420 nan 0.000 0.274 146 P C -0.453 176.776 177.300 -0.117 0.000 1.231 146 P CA -0.258 62.782 63.100 -0.100 0.000 0.790 146 P CB 0.716 32.380 31.700 -0.059 0.000 0.951 147 A N 2.675 125.408 122.820 -0.146 0.000 2.561 147 A HA 0.037 4.347 4.320 -0.017 0.000 0.234 147 A C 0.697 178.076 177.584 -0.343 0.000 1.055 147 A CA 0.495 52.330 52.037 -0.338 0.000 0.756 147 A CB -1.012 17.663 19.000 -0.542 0.000 0.986 147 A HN 0.851 nan 8.150 nan 0.000 0.505 148 H N -1.496 117.600 119.070 0.043 0.000 3.428 148 H HA -0.189 4.357 4.556 -0.017 0.000 0.204 148 H C 0.617 175.964 175.328 0.031 0.000 1.078 148 H CA 0.728 56.794 56.048 0.030 0.000 1.183 148 H CB -2.241 27.531 29.762 0.017 0.000 1.132 148 H HN 1.375 nan 8.280 nan 0.000 0.323 149 A N 1.591 124.467 122.820 0.093 0.000 2.520 149 A HA 0.445 4.755 4.320 -0.017 0.000 0.245 149 A C 0.788 178.470 177.584 0.162 0.000 1.072 149 A CA 0.268 52.347 52.037 0.071 0.000 0.761 149 A CB 0.544 19.503 19.000 -0.067 0.000 1.004 149 A HN 0.140 nan 8.150 nan 0.000 0.499 150 V N 2.178 122.145 119.914 0.088 0.000 2.394 150 V HA 0.676 4.785 4.120 -0.017 0.000 0.282 150 V C 0.530 176.666 176.094 0.070 0.000 1.031 150 V CA 0.375 62.715 62.300 0.067 0.000 0.881 150 V CB 0.947 32.716 31.823 -0.088 0.000 0.982 150 V HN 1.282 nan 8.190 nan 0.000 0.451 151 A N 4.466 127.410 122.820 0.208 0.000 2.556 151 A HA 0.969 5.279 4.320 -0.017 0.000 0.294 151 A C -0.894 176.872 177.584 0.304 0.000 1.091 151 A CA -0.543 51.679 52.037 0.308 0.000 0.704 151 A CB 2.311 21.683 19.000 0.619 0.000 1.300 151 A HN 1.449 nan 8.150 nan 0.000 0.406 152 V N -2.341 117.656 119.914 0.139 0.000 2.876 152 V HA 1.003 5.113 4.120 -0.017 0.000 0.312 152 V C -0.288 175.577 176.094 -0.382 0.000 1.085 152 V CA -0.325 61.922 62.300 -0.087 0.000 0.945 152 V CB 1.278 33.073 31.823 -0.047 0.000 1.017 152 V HN 2.347 nan 8.190 nan 0.000 0.428 153 A N 2.372 124.715 122.820 -0.794 0.000 2.466 153 A HA 0.893 5.203 4.320 -0.017 0.000 0.284 153 A C 0.525 177.729 177.584 -0.632 0.000 1.049 153 A CA 0.300 51.828 52.037 -0.849 0.000 0.760 153 A CB 0.871 18.945 19.000 -1.543 0.000 1.274 153 A HN 2.788 nan 8.150 nan 0.000 0.412 154 G N 0.656 109.238 108.800 -0.363 0.000 2.634 154 G HA2 -0.144 3.806 3.960 -0.017 0.000 0.309 154 G HA3 -0.144 3.806 3.960 -0.017 0.000 0.309 154 G C 1.287 176.067 174.900 -0.201 0.000 1.265 154 G CA 1.050 46.001 45.100 -0.249 0.000 0.998 154 G HN 1.994 nan 8.290 nan 0.000 0.551 155 V N 2.215 122.024 119.914 -0.174 0.000 3.510 155 V HA 0.224 4.334 4.120 -0.017 0.000 0.270 155 V C 1.176 177.235 176.094 -0.058 0.000 1.201 155 V CA 2.382 64.625 62.300 -0.094 0.000 1.166 155 V CB -0.527 31.241 31.823 -0.091 0.000 0.825 155 V HN 0.522 nan 8.190 nan 0.000 0.484 156 Q N -0.189 119.503 119.800 -0.180 0.000 2.306 156 Q HA 0.478 4.808 4.340 -0.017 0.000 0.265 156 Q C -0.467 175.455 176.000 -0.131 0.000 1.022 156 Q CA -0.220 55.510 55.803 -0.122 0.000 0.853 156 Q CB 2.158 30.756 28.738 -0.234 0.000 1.327 156 Q HN 0.287 nan 8.270 nan 0.000 0.449 157 T N -0.212 114.419 114.554 0.128 0.000 2.916 157 T HA 0.829 5.169 4.350 -0.017 0.000 0.292 157 T C -0.894 174.125 174.700 0.531 0.000 1.055 157 T CA -0.419 61.826 62.100 0.241 0.000 1.009 157 T CB 1.618 70.551 68.868 0.109 0.000 1.118 157 T HN 0.754 nan 8.240 nan 0.000 0.497 158 G N 1.560 110.734 108.800 0.624 0.000 2.684 158 G HA2 0.689 4.639 3.960 -0.017 0.000 0.290 158 G HA3 0.689 4.639 3.960 -0.017 0.000 0.290 158 G C -1.814 173.218 174.900 0.221 0.000 1.425 158 G CA -0.692 44.751 45.100 0.572 0.000 0.822 158 G HN 0.823 nan 8.290 nan 0.000 0.482 159 I N 0.562 121.039 120.570 -0.155 0.000 2.439 159 I HA 0.245 4.404 4.170 -0.017 0.000 0.285 159 I C -1.081 174.532 176.117 -0.841 0.000 1.021 159 I CA -0.709 60.456 61.300 -0.226 0.000 1.091 159 I CB 1.947 39.948 38.000 0.002 0.000 1.242 159 I HN 0.411 nan 8.210 nan 0.000 0.439 160 Y N 7.654 127.563 120.300 -0.652 0.000 2.587 160 Y HA 0.133 4.673 4.550 -0.017 0.000 0.344 160 Y C -1.524 174.180 175.900 -0.327 0.000 1.061 160 Y CA -1.289 56.440 58.100 -0.618 0.000 1.370 160 Y CB 0.436 38.769 38.460 -0.213 0.000 1.163 160 Y HN 0.460 nan 8.280 nan 0.000 0.527 161 P HA -0.006 nan 4.420 nan 0.000 0.227 161 P C -0.632 176.655 177.300 -0.023 0.000 1.161 161 P CA 1.055 64.153 63.100 -0.003 0.000 0.788 161 P CB 0.616 32.366 31.700 0.084 0.000 0.822 162 L N -1.714 119.521 121.223 0.020 0.000 2.376 162 L HA 0.518 4.847 4.340 -0.017 0.000 0.258 162 L C -2.699 174.200 176.870 0.047 0.000 1.013 162 L CA -2.830 52.025 54.840 0.024 0.000 0.822 162 L CB 1.902 44.014 42.059 0.089 0.000 1.388 162 L HN -0.418 nan 8.230 nan 0.000 0.413 163 P HA 0.180 nan 4.420 nan 0.000 0.268 163 P C -1.009 176.341 177.300 0.083 0.000 1.204 163 P CA -0.085 63.028 63.100 0.023 0.000 0.768 163 P CB 0.879 32.580 31.700 0.003 0.000 0.842 164 S N 2.264 118.029 115.700 0.108 0.000 2.587 164 S HA 0.674 5.134 4.470 -0.017 0.000 0.269 164 S C -3.297 171.387 174.600 0.139 0.000 1.154 164 S CA -1.851 56.446 58.200 0.162 0.000 0.824 164 S CB 1.153 64.524 63.200 0.285 0.000 1.118 164 S HN 0.015 nan 8.310 nan 0.000 0.462 165 P HA 0.565 nan 4.420 nan 0.000 0.272 165 P C -0.099 177.327 177.300 0.211 0.000 1.223 165 P CA 0.241 63.425 63.100 0.140 0.000 0.784 165 P CB 0.583 32.368 31.700 0.140 0.000 0.923 166 G N -0.129 108.762 108.800 0.152 0.000 2.691 166 G HA2 0.465 4.414 3.960 -0.017 0.000 0.298 166 G HA3 0.465 4.414 3.960 -0.017 0.000 0.298 166 G C -0.154 174.847 174.900 0.169 0.000 1.471 166 G CA -0.348 44.874 45.100 0.204 0.000 0.912 166 G HN 0.524 nan 8.290 nan 0.000 0.553 167 G N -0.473 108.467 108.800 0.233 0.000 3.324 167 G HA2 0.351 4.301 3.960 -0.017 0.000 0.251 167 G HA3 0.351 4.301 3.960 -0.017 0.000 0.251 167 G C 0.032 175.160 174.900 0.380 0.000 1.072 167 G CA -0.409 44.842 45.100 0.252 0.000 0.787 167 G HN 0.380 nan 8.290 nan 0.000 0.537 168 W N 1.459 122.837 121.300 0.129 0.000 2.126 168 W HA 0.357 5.007 4.660 -0.017 0.000 0.346 168 W C 0.229 176.796 176.519 0.081 0.000 1.279 168 W CA -1.294 56.119 57.345 0.113 0.000 1.259 168 W CB 0.242 29.826 29.460 0.206 0.000 1.133 168 W HN -0.080 nan 8.180 nan 0.000 0.592 169 N N 2.810 121.641 118.700 0.218 0.000 2.411 169 N HA 0.163 4.893 4.740 -0.017 0.000 0.259 169 N C -0.672 174.905 175.510 0.110 0.000 1.103 169 N CA -0.201 52.913 53.050 0.106 0.000 0.954 169 N CB 0.620 39.120 38.487 0.022 0.000 1.085 169 N HN 0.131 nan 8.380 nan 0.000 0.485 170 L N 3.529 124.800 121.223 0.079 0.000 2.325 170 L HA 0.220 4.549 4.340 -0.017 0.000 0.284 170 L C 1.519 178.400 176.870 0.017 0.000 1.089 170 L CA -0.208 54.663 54.840 0.052 0.000 0.836 170 L CB 0.689 42.755 42.059 0.013 0.000 1.184 170 L HN 0.414 nan 8.230 nan 0.000 0.444 171 L N 2.765 123.982 121.223 -0.010 0.000 2.470 171 L HA 0.378 4.708 4.340 -0.017 0.000 0.219 171 L C 1.037 177.921 176.870 0.024 0.000 1.071 171 L CA 0.300 55.137 54.840 -0.006 0.000 0.850 171 L CB 0.205 42.208 42.059 -0.094 0.000 1.040 171 L HN 0.798 nan 8.230 nan 0.000 0.475 172 G N -0.870 107.889 108.800 -0.068 0.000 2.494 172 G HA2 0.377 4.327 3.960 -0.017 0.000 0.308 172 G HA3 0.377 4.327 3.960 -0.017 0.000 0.308 172 G C -1.432 173.408 174.900 -0.099 0.000 1.263 172 G CA -0.281 44.742 45.100 -0.127 0.000 0.840 172 G HN -0.226 nan 8.290 nan 0.000 0.479 173 T N 0.539 115.025 114.554 -0.114 0.000 2.841 173 T HA 0.586 4.926 4.350 -0.017 0.000 0.285 173 T C -0.039 174.642 174.700 -0.032 0.000 0.991 173 T CA -0.205 61.878 62.100 -0.028 0.000 0.966 173 T CB 1.455 70.319 68.868 -0.007 0.000 0.962 173 T HN 0.748 nan 8.240 nan 0.000 0.438 174 S N 2.445 118.170 115.700 0.042 0.000 2.549 174 S HA 0.251 4.711 4.470 -0.017 0.000 0.279 174 S C 1.032 175.610 174.600 -0.037 0.000 1.321 174 S CA -0.641 57.585 58.200 0.043 0.000 1.054 174 S CB 0.006 63.271 63.200 0.108 0.000 0.899 174 S HN 0.626 nan 8.310 nan 0.000 0.497 175 L N 4.735 125.932 121.223 -0.044 0.000 2.611 175 L HA 0.367 4.697 4.340 -0.017 0.000 0.229 175 L C 0.294 177.102 176.870 -0.104 0.000 1.137 175 L CA -0.128 54.665 54.840 -0.078 0.000 0.901 175 L CB 0.311 42.346 42.059 -0.041 0.000 1.098 175 L HN 0.418 nan 8.230 nan 0.000 0.456 176 V N 0.146 120.001 119.914 -0.099 0.000 2.735 176 V HA 0.721 4.831 4.120 -0.017 0.000 0.310 176 V C -0.398 175.620 176.094 -0.126 0.000 1.061 176 V CA -0.679 61.561 62.300 -0.100 0.000 0.913 176 V CB 2.012 33.811 31.823 -0.040 0.000 1.005 176 V HN 0.062 nan 8.190 nan 0.000 0.428 177 A N 4.892 127.635 122.820 -0.129 0.000 2.347 177 A HA 0.479 4.789 4.320 -0.017 0.000 0.287 177 A C 0.974 178.601 177.584 0.071 0.000 1.199 177 A CA 0.256 52.286 52.037 -0.011 0.000 0.851 177 A CB 0.814 19.827 19.000 0.021 0.000 1.118 177 A HN 1.849 nan 8.150 nan 0.000 0.525 178 V N 1.002 121.002 119.914 0.143 0.000 2.970 178 V HA 0.073 4.183 4.120 -0.017 0.000 0.260 178 V C 0.436 176.641 176.094 0.185 0.000 1.100 178 V CA 1.159 63.540 62.300 0.135 0.000 1.122 178 V CB -1.242 30.654 31.823 0.122 0.000 0.721 178 V HN 0.810 nan 8.190 nan 0.000 0.483 179 Y N 0.926 121.232 120.300 0.010 0.000 2.386 179 Y HA 0.686 5.226 4.550 -0.017 0.000 0.334 179 Y C -1.624 174.219 175.900 -0.094 0.000 1.002 179 Y CA -1.947 56.090 58.100 -0.105 0.000 1.068 179 Y CB 1.832 40.242 38.460 -0.082 0.000 1.203 179 Y HN 0.226 nan 8.280 nan 0.000 0.443 180 D N 8.637 128.611 120.400 -0.710 0.000 2.365 180 D HA 0.308 4.938 4.640 -0.017 0.000 0.235 180 D C -2.517 173.410 176.300 -0.623 0.000 1.368 180 D CA -1.964 51.680 54.000 -0.594 0.000 1.001 180 D CB 2.412 43.079 40.800 -0.222 0.000 1.364 180 D HN 0.329 nan 8.370 nan 0.000 0.577 181 P HA -0.051 nan 4.420 nan 0.000 0.234 181 P C 0.796 177.849 177.300 -0.411 0.000 1.167 181 P CA 0.620 63.367 63.100 -0.589 0.000 0.763 181 P CB 0.215 31.470 31.700 -0.742 0.000 0.835 182 H N -0.424 118.523 119.070 -0.204 0.000 2.562 182 H HA 0.110 4.656 4.556 -0.017 0.000 0.267 182 H C 1.387 176.677 175.328 -0.063 0.000 0.959 182 H CA 0.174 56.158 56.048 -0.105 0.000 1.204 182 H CB 0.503 30.205 29.762 -0.101 0.000 1.430 182 H HN 0.287 nan 8.280 nan 0.000 0.545 183 R N 0.632 121.141 120.500 0.014 0.000 2.553 183 R HA 0.326 4.656 4.340 -0.017 0.000 0.263 183 R C 1.201 177.510 176.300 0.016 0.000 1.066 183 R CA 0.455 56.562 56.100 0.011 0.000 1.135 183 R CB 0.361 30.653 30.300 -0.013 0.000 1.148 183 R HN 0.021 nan 8.270 nan 0.000 0.558 184 E N 0.824 121.037 120.200 0.021 0.000 2.130 184 E HA -0.100 4.240 4.350 -0.017 0.000 0.196 184 E C 0.376 176.998 176.600 0.036 0.000 0.998 184 E CA 1.938 58.355 56.400 0.029 0.000 0.806 184 E CB -0.459 29.256 29.700 0.023 0.000 0.738 184 E HN 0.701 nan 8.360 nan 0.000 0.459 185 T N 1.120 115.694 114.554 0.033 0.000 3.155 185 T HA 0.402 4.742 4.350 -0.017 0.000 0.384 185 T C -2.198 172.522 174.700 0.035 0.000 1.351 185 T CA -0.840 61.295 62.100 0.058 0.000 1.198 185 T CB 1.741 70.645 68.868 0.060 0.000 1.106 185 T HN 0.065 nan 8.240 nan 0.000 0.564 186 P HA -0.011 nan 4.420 nan 0.000 0.216 186 P C -0.051 177.083 177.300 -0.276 0.000 1.150 186 P CA 0.908 63.884 63.100 -0.206 0.000 0.837 186 P CB 0.045 31.584 31.700 -0.268 0.000 0.786 187 F N -1.130 118.912 119.950 0.152 0.000 2.385 187 F HA 0.218 4.734 4.527 -0.017 0.000 0.360 187 F C 1.391 177.244 175.800 0.088 0.000 1.122 187 F CA -0.730 57.361 58.000 0.152 0.000 1.090 187 F CB 0.745 39.814 39.000 0.115 0.000 1.150 187 F HN -0.260 nan 8.300 nan 0.000 0.472 188 L N 3.689 125.036 121.223 0.208 0.000 2.156 188 L HA 0.129 4.459 4.340 -0.017 0.000 0.208 188 L C 0.013 176.954 176.870 0.119 0.000 1.095 188 L CA 1.747 56.662 54.840 0.125 0.000 0.770 188 L CB -0.101 42.008 42.059 0.082 0.000 0.914 188 L HN 0.412 nan 8.230 nan 0.000 0.439 189 L N -0.451 120.863 121.223 0.151 0.000 2.346 189 L HA 0.725 5.055 4.340 -0.017 0.000 0.274 189 L C 0.088 177.013 176.870 0.092 0.000 1.007 189 L CA -0.591 54.309 54.840 0.099 0.000 0.818 189 L CB 1.524 43.632 42.059 0.081 0.000 1.284 189 L HN -0.072 nan 8.230 nan 0.000 0.424 190 R N 2.220 122.749 120.500 0.049 0.000 2.854 190 R HA 0.791 5.121 4.340 -0.017 0.000 0.271 190 R C -2.922 173.381 176.300 0.005 0.000 0.996 190 R CA -1.946 54.167 56.100 0.021 0.000 0.961 190 R CB 0.290 30.608 30.300 0.029 0.000 1.182 190 R HN 0.362 nan 8.270 nan 0.000 0.479 191 P HA 0.171 nan 4.420 nan 0.000 0.264 191 P C 0.902 178.178 177.300 -0.040 0.000 1.183 191 P CA 1.967 65.054 63.100 -0.022 0.000 0.763 191 P CB 0.973 32.667 31.700 -0.009 0.000 0.807 192 G N 1.826 110.580 108.800 -0.077 0.000 2.225 192 G HA2 -0.212 3.737 3.960 -0.017 0.000 0.254 192 G HA3 -0.212 3.737 3.960 -0.017 0.000 0.254 192 G C 0.116 174.977 174.900 -0.066 0.000 0.988 192 G CA -0.176 44.865 45.100 -0.099 0.000 0.625 192 G HN 0.499 nan 8.290 nan 0.000 0.527 193 D N 0.901 121.282 120.400 -0.032 0.000 2.400 193 D HA 0.406 5.036 4.640 -0.017 0.000 0.238 193 D C 1.053 177.349 176.300 -0.007 0.000 1.157 193 D CA 0.223 54.215 54.000 -0.013 0.000 0.889 193 D CB 0.437 41.240 40.800 0.004 0.000 1.199 193 D HN 0.188 nan 8.370 nan 0.000 0.436 194 R N 0.551 121.052 120.500 0.001 0.000 2.540 194 R HA 0.626 4.956 4.340 -0.017 0.000 0.287 194 R C -0.665 175.648 176.300 0.021 0.000 0.980 194 R CA -0.869 55.244 56.100 0.023 0.000 0.966 194 R CB 1.254 31.563 30.300 0.015 0.000 1.106 194 R HN 0.131 nan 8.270 nan 0.000 0.480 195 V N 3.073 123.018 119.914 0.050 0.000 2.760 195 V HA 0.530 4.640 4.120 -0.017 0.000 0.309 195 V C -0.369 175.738 176.094 0.021 0.000 1.077 195 V CA -1.013 61.272 62.300 -0.026 0.000 0.910 195 V CB 2.541 34.300 31.823 -0.106 0.000 1.008 195 V HN 0.774 nan 8.190 nan 0.000 0.424 196 R N 2.827 123.284 120.500 -0.071 0.000 2.621 196 R HA 0.746 5.076 4.340 -0.017 0.000 0.292 196 R C -1.760 174.484 176.300 -0.094 0.000 0.969 196 R CA -0.570 55.542 56.100 0.020 0.000 0.887 196 R CB 1.639 31.974 30.300 0.058 0.000 1.180 196 R HN 0.381 nan 8.270 nan 0.000 0.450 197 F N 2.329 122.389 119.950 0.183 0.000 2.379 197 F HA 0.518 5.035 4.527 -0.017 0.000 0.332 197 F C -0.189 175.727 175.800 0.193 0.000 1.096 197 F CA -0.917 57.193 58.000 0.183 0.000 1.105 197 F CB 1.705 40.855 39.000 0.250 0.000 1.189 197 F HN 0.371 nan 8.300 nan 0.000 0.515 198 L N 2.384 123.826 121.223 0.364 0.000 2.470 198 L HA 0.353 4.682 4.340 -0.017 0.000 0.268 198 L C -0.554 176.481 176.870 0.275 0.000 0.964 198 L CA -0.555 54.449 54.840 0.273 0.000 0.839 198 L CB 1.751 43.907 42.059 0.162 0.000 1.276 198 L HN 0.646 nan 8.230 nan 0.000 0.403 199 E N 3.397 123.794 120.200 0.328 0.000 2.415 199 E HA 0.535 4.874 4.350 -0.017 0.000 0.263 199 E C -0.993 175.708 176.600 0.169 0.000 0.995 199 E CA 0.382 56.971 56.400 0.316 0.000 0.915 199 E CB 0.717 30.626 29.700 0.348 0.000 0.951 199 E HN 0.801 nan 8.360 nan 0.000 0.449 200 A N 4.357 127.246 122.820 0.115 0.000 2.610 200 A HA 0.407 4.717 4.320 -0.017 0.000 0.291 200 A C -1.227 176.386 177.584 0.048 0.000 1.086 200 A CA -0.810 51.270 52.037 0.072 0.000 0.677 200 A CB 1.417 20.450 19.000 0.055 0.000 1.278 200 A HN 0.693 nan 8.150 nan 0.000 0.414 201 E N -0.412 119.811 120.200 0.038 0.000 2.222 201 E HA 0.656 4.996 4.350 -0.017 0.000 0.272 201 E C 0.082 176.689 176.600 0.012 0.000 0.982 201 E CA -0.190 56.225 56.400 0.025 0.000 0.842 201 E CB 2.092 31.808 29.700 0.026 0.000 1.144 201 E HN 1.348 nan 8.360 nan 0.000 0.397 202 G N 1.848 110.650 108.800 0.004 0.000 2.336 202 G HA2 0.132 4.082 3.960 -0.017 0.000 0.300 202 G HA3 0.132 4.082 3.960 -0.017 0.000 0.300 202 G C -2.971 171.922 174.900 -0.011 0.000 1.375 202 G CA -0.999 44.098 45.100 -0.005 0.000 0.885 202 G HN 0.386 nan 8.290 nan 0.000 0.599 203 P HA 0.387 nan 4.420 nan 0.000 0.274 203 P C 0.037 177.317 177.300 -0.033 0.000 1.231 203 P CA 0.046 63.135 63.100 -0.019 0.000 0.790 203 P CB 0.796 32.484 31.700 -0.019 0.000 0.951 204 T N 3.918 118.459 114.554 -0.021 0.000 2.834 204 T HA 0.224 4.564 4.350 -0.017 0.000 0.298 204 T C -1.999 172.667 174.700 -0.056 0.000 0.966 204 T CA -0.467 61.618 62.100 -0.025 0.000 1.141 204 T CB -0.553 68.332 68.868 0.027 0.000 0.905 204 T HN 0.367 nan 8.240 nan 0.000 0.535 205 P HA 0.205 nan 4.420 nan 0.000 0.269 205 P C -2.282 175.006 177.300 -0.020 0.000 1.215 205 P CA -1.296 61.677 63.100 -0.212 0.000 0.780 205 P CB -0.331 31.046 31.700 -0.538 0.000 0.898 206 P HA 0.057 nan 4.420 nan 0.000 0.270 206 P C -0.271 177.165 177.300 0.226 0.000 1.223 206 P CA 0.063 63.219 63.100 0.095 0.000 0.785 206 P CB 0.578 32.296 31.700 0.030 0.000 0.923 207 E N 1.690 121.978 120.200 0.146 0.000 2.392 207 E HA 0.103 4.442 4.350 -0.017 0.000 0.264 207 E C -1.879 174.763 176.600 0.069 0.000 1.024 207 E CA -1.353 55.101 56.400 0.089 0.000 0.903 207 E CB -0.596 29.120 29.700 0.025 0.000 0.963 207 E HN 0.356 nan 8.360 nan 0.000 0.432 208 P HA -0.065 nan 4.420 nan 0.000 0.262 208 P C -0.588 176.728 177.300 0.026 0.000 1.182 208 P CA 0.509 63.613 63.100 0.008 0.000 0.761 208 P CB 0.398 32.078 31.700 -0.032 0.000 0.795 209 R N 4.854 125.382 120.500 0.046 0.000 2.349 209 R HA 0.361 4.691 4.340 -0.017 0.000 0.299 209 R C -2.310 174.100 176.300 0.184 0.000 1.027 209 R CA -2.070 54.072 56.100 0.070 0.000 0.958 209 R CB 0.194 30.458 30.300 -0.061 0.000 1.047 209 R HN 0.298 nan 8.270 nan 0.000 0.468 210 P HA -0.091 nan 4.420 nan 0.000 0.266 210 P C -1.102 176.244 177.300 0.076 0.000 1.195 210 P CA -0.104 63.027 63.100 0.051 0.000 0.768 210 P CB 0.434 32.149 31.700 0.025 0.000 0.838 211 L N 3.719 124.837 121.223 -0.175 0.000 2.265 211 L HA 0.208 4.538 4.340 -0.017 0.000 0.288 211 L C 0.243 177.012 176.870 -0.168 0.000 1.058 211 L CA 0.024 54.665 54.840 -0.331 0.000 0.809 211 L CB -0.007 41.695 42.059 -0.596 0.000 1.179 211 L HN 0.242 nan 8.230 nan 0.000 0.429 212 E N 5.581 125.742 120.200 -0.065 0.000 2.290 212 E HA 0.091 4.431 4.350 -0.017 0.000 0.277 212 E C 0.497 177.064 176.600 -0.055 0.000 1.035 212 E CA 0.096 56.462 56.400 -0.057 0.000 0.873 212 E CB 1.358 31.055 29.700 -0.004 0.000 1.029 212 E HN 0.729 nan 8.360 nan 0.000 0.419 213 L N 2.505 123.692 121.223 -0.059 0.000 2.357 213 L HA 0.165 4.495 4.340 -0.017 0.000 0.211 213 L C 0.968 177.833 176.870 -0.010 0.000 1.075 213 L CA 0.134 54.959 54.840 -0.024 0.000 0.830 213 L CB 0.055 42.102 42.059 -0.020 0.000 0.996 213 L HN 0.299 nan 8.230 nan 0.000 0.467 214 L N 2.720 123.928 121.223 -0.025 0.000 2.410 214 L HA 0.184 4.514 4.340 -0.017 0.000 0.273 214 L C -1.916 174.956 176.870 0.004 0.000 1.152 214 L CA -1.780 53.053 54.840 -0.011 0.000 0.855 214 L CB 0.220 42.265 42.059 -0.023 0.000 1.129 214 L HN -0.140 nan 8.230 nan 0.000 0.463 215 P HA 0.069 nan 4.420 nan 0.000 0.271 215 P C -0.357 176.956 177.300 0.021 0.000 1.216 215 P CA -0.239 62.871 63.100 0.017 0.000 0.776 215 P CB 1.063 32.773 31.700 0.016 0.000 0.881 216 E N 1.205 121.421 120.200 0.025 0.000 2.112 216 E HA -0.050 4.289 4.350 -0.017 0.000 0.190 216 E C 1.211 177.826 176.600 0.025 0.000 0.979 216 E CA 1.597 58.016 56.400 0.031 0.000 0.814 216 E CB -0.199 29.521 29.700 0.034 0.000 0.762 216 E HN 0.711 nan 8.360 nan 0.000 0.460 217 E N 1.930 122.141 120.200 0.019 0.000 2.916 217 E HA 0.254 4.593 4.350 -0.017 0.000 0.217 217 E C -2.603 174.004 176.600 0.011 0.000 1.100 217 E CA -2.048 54.361 56.400 0.014 0.000 0.891 217 E CB -0.338 29.370 29.700 0.013 0.000 1.311 217 E HN -0.028 nan 8.360 nan 0.000 0.421 218 P HA 0.119 nan 4.420 nan 0.000 0.265 218 P C 0.476 177.777 177.300 0.001 0.000 1.193 218 P CA -0.132 62.971 63.100 0.006 0.000 0.765 218 P CB 1.150 32.852 31.700 0.004 0.000 0.823 219 R N 1.754 122.254 120.500 0.001 0.000 2.092 219 R HA 0.024 4.354 4.340 -0.017 0.000 0.231 219 R C 0.573 176.869 176.300 -0.007 0.000 1.119 219 R CA 1.043 57.142 56.100 -0.001 0.000 0.970 219 R CB -0.226 30.074 30.300 0.000 0.000 0.864 219 R HN 0.454 nan 8.270 nan 0.000 0.440 220 L N 1.472 122.689 121.223 -0.010 0.000 2.488 220 L HA 0.351 4.681 4.340 -0.017 0.000 0.250 220 L C -2.491 174.363 176.870 -0.027 0.000 1.280 220 L CA -2.150 52.679 54.840 -0.018 0.000 0.929 220 L CB 1.716 43.764 42.059 -0.018 0.000 1.200 220 L HN -0.240 nan 8.230 nan 0.000 0.495 221 P HA 0.008 nan 4.420 nan 0.000 0.262 221 P C 0.198 177.459 177.300 -0.065 0.000 1.182 221 P CA 0.364 63.442 63.100 -0.037 0.000 0.761 221 P CB 1.496 33.177 31.700 -0.032 0.000 0.795 222 A N 3.866 126.639 122.820 -0.079 0.000 1.975 222 A HA 0.413 4.723 4.320 -0.017 0.000 0.197 222 A C 0.227 177.680 177.584 -0.219 0.000 1.537 222 A CA 0.778 52.734 52.037 -0.135 0.000 0.972 222 A CB -0.162 18.779 19.000 -0.098 0.000 1.019 222 A HN 0.521 nan 8.150 nan 0.000 0.488 223 L N -2.785 118.350 121.223 -0.148 0.000 2.518 223 L HA 0.867 5.197 4.340 -0.017 0.000 0.257 223 L C -1.233 175.616 176.870 -0.035 0.000 0.980 223 L CA -0.859 53.887 54.840 -0.157 0.000 0.837 223 L CB 1.735 43.698 42.059 -0.160 0.000 1.410 223 L HN 0.072 nan 8.230 nan 0.000 0.410 224 L N 2.006 123.227 121.223 -0.005 0.000 2.322 224 L HA 0.750 5.080 4.340 -0.017 0.000 0.281 224 L C -0.804 176.113 176.870 0.079 0.000 1.014 224 L CA -0.440 54.422 54.840 0.036 0.000 0.815 224 L CB 1.991 44.064 42.059 0.023 0.000 1.247 224 L HN 0.538 nan 8.230 nan 0.000 0.421 225 V N 6.317 126.282 119.914 0.084 0.000 2.387 225 V HA 0.181 4.291 4.120 -0.017 0.000 0.260 225 V C 1.074 177.216 176.094 0.080 0.000 1.054 225 V CA -0.085 62.271 62.300 0.093 0.000 0.967 225 V CB 0.168 32.050 31.823 0.099 0.000 1.036 225 V HN 0.898 nan 8.190 nan 0.000 0.481 226 E N 2.690 122.933 120.200 0.071 0.000 2.076 226 E HA 0.013 4.353 4.350 -0.017 0.000 0.190 226 E C 0.191 176.821 176.600 0.050 0.000 0.979 226 E CA 0.681 57.113 56.400 0.054 0.000 0.807 226 E CB 0.438 30.166 29.700 0.046 0.000 0.761 226 E HN 0.612 nan 8.360 nan 0.000 0.454 227 E N 0.342 120.572 120.200 0.050 0.000 2.290 227 E HA 0.274 4.613 4.350 -0.017 0.000 0.274 227 E C -2.590 174.043 176.600 0.054 0.000 0.889 227 E CA -2.266 54.163 56.400 0.049 0.000 0.760 227 E CB 2.266 31.986 29.700 0.034 0.000 1.206 227 E HN -0.030 nan 8.360 nan 0.000 0.419 228 P HA 0.168 nan 4.420 nan 0.000 0.274 228 P C 0.264 177.597 177.300 0.056 0.000 1.237 228 P CA -0.135 63.011 63.100 0.077 0.000 0.793 228 P CB 1.025 32.800 31.700 0.125 0.000 0.977 229 G N 0.764 109.587 108.800 0.038 0.000 2.508 229 G HA2 0.177 4.127 3.960 -0.017 0.000 0.278 229 G HA3 0.177 4.127 3.960 -0.017 0.000 0.278 229 G C 0.790 175.747 174.900 0.095 0.000 1.389 229 G CA -0.547 44.586 45.100 0.056 0.000 1.050 229 G HN 0.495 nan 8.290 nan 0.000 0.522 230 L N -1.056 120.246 121.223 0.131 0.000 2.012 230 L HA 0.246 4.576 4.340 -0.017 0.000 0.210 230 L C 1.396 178.335 176.870 0.115 0.000 1.073 230 L CA 1.765 56.681 54.840 0.128 0.000 0.748 230 L CB -0.134 42.026 42.059 0.168 0.000 0.891 230 L HN 0.440 nan 8.230 nan 0.000 0.431 231 M N 0.413 120.090 119.600 0.128 0.000 2.302 231 M HA 0.195 4.665 4.480 -0.017 0.000 0.207 231 M C -1.820 174.535 176.300 0.091 0.000 1.016 231 M CA -0.395 54.964 55.300 0.098 0.000 0.941 231 M CB 0.394 33.052 32.600 0.097 0.000 2.701 231 M HN -0.008 nan 8.290 nan 0.000 0.377 232 D N 4.667 125.112 120.400 0.074 0.000 2.277 232 D HA 0.477 5.107 4.640 -0.017 0.000 0.249 232 D C -0.587 175.737 176.300 0.040 0.000 1.134 232 D CA 0.115 54.159 54.000 0.072 0.000 0.863 232 D CB 1.679 42.510 40.800 0.051 0.000 1.143 232 D HN 0.526 nan 8.370 nan 0.000 0.458 233 L N 1.382 122.631 121.223 0.044 0.000 2.386 233 L HA 0.347 4.677 4.340 -0.017 0.000 0.271 233 L C -0.226 176.672 176.870 0.047 0.000 0.993 233 L CA -1.269 53.587 54.840 0.026 0.000 0.819 233 L CB 2.389 44.463 42.059 0.025 0.000 1.294 233 L HN 0.001 nan 8.230 nan 0.000 0.414 234 V N 3.908 123.843 119.914 0.034 0.000 2.405 234 V HA 0.243 4.353 4.120 -0.017 0.000 0.264 234 V C 0.155 176.281 176.094 0.053 0.000 1.048 234 V CA -0.421 61.910 62.300 0.053 0.000 0.966 234 V CB 1.216 33.062 31.823 0.037 0.000 1.015 234 V HN 0.508 nan 8.190 nan 0.000 0.477 235 V N 2.224 122.186 119.914 0.079 0.000 2.769 235 V HA 0.863 4.973 4.120 -0.017 0.000 0.312 235 V C -0.408 175.729 176.094 0.071 0.000 1.061 235 V CA -0.788 61.557 62.300 0.073 0.000 0.931 235 V CB 2.033 33.913 31.823 0.096 0.000 1.010 235 V HN 0.765 nan 8.190 nan 0.000 0.433 236 D N 2.945 123.379 120.400 0.057 0.000 2.570 236 D HA 0.451 5.081 4.640 -0.017 0.000 0.266 236 D C 1.403 177.738 176.300 0.059 0.000 1.182 236 D CA 0.215 54.250 54.000 0.057 0.000 1.088 236 D CB 0.600 41.437 40.800 0.062 0.000 1.186 236 D HN 0.690 nan 8.370 nan 0.000 0.618 237 G N -2.024 106.829 108.800 0.088 0.000 2.470 237 G HA2 0.376 4.325 3.960 -0.017 0.000 0.220 237 G HA3 0.376 4.325 3.960 -0.017 0.000 0.220 237 G C 0.855 175.829 174.900 0.124 0.000 1.121 237 G CA 0.635 45.815 45.100 0.133 0.000 0.766 237 G HN 1.037 nan 8.290 nan 0.000 0.553 238 G N -1.516 107.301 108.800 0.029 0.000 2.340 238 G HA2 0.189 4.139 3.960 -0.017 0.000 0.527 238 G HA3 0.189 4.139 3.960 -0.017 0.000 0.527 238 G C -0.983 173.715 174.900 -0.337 0.000 1.381 238 G CA -0.503 44.450 45.100 -0.244 0.000 1.001 238 G HN 0.456 nan 8.290 nan 0.000 0.626 239 R N -0.138 120.103 120.500 -0.431 0.000 2.255 239 R HA 0.718 5.047 4.340 -0.017 0.000 0.326 239 R C -0.848 175.175 176.300 -0.462 0.000 0.986 239 R CA -0.588 55.358 56.100 -0.257 0.000 0.847 239 R CB 0.398 30.649 30.300 -0.082 0.000 1.111 239 R HN 0.313 nan 8.270 nan 0.000 0.452 240 F N 4.371 124.333 119.950 0.019 0.000 2.523 240 F HA 0.392 4.908 4.527 -0.017 0.000 0.329 240 F C 0.833 176.644 175.800 0.018 0.000 1.061 240 F CA -0.907 57.101 58.000 0.013 0.000 0.967 240 F CB 1.332 40.334 39.000 0.003 0.000 1.218 240 F HN 0.436 nan 8.300 nan 0.000 0.480 241 L N 1.009 122.362 121.223 0.217 0.000 4.040 241 L HA -0.245 4.085 4.340 -0.017 0.000 0.410 241 L C 0.928 177.907 176.870 0.182 0.000 1.187 241 L CA 0.740 55.672 54.840 0.154 0.000 0.956 241 L CB -1.836 40.290 42.059 0.112 0.000 2.022 241 L HN 0.979 nan 8.230 nan 0.000 0.897 242 G N -1.370 107.492 108.800 0.102 0.000 3.228 242 G HA2 0.349 4.298 3.960 -0.017 0.000 0.245 242 G HA3 0.349 4.298 3.960 -0.017 0.000 0.245 242 G C 1.176 176.009 174.900 -0.111 0.000 1.051 242 G CA 0.505 45.589 45.100 -0.026 0.000 0.809 242 G HN 0.438 nan 8.290 nan 0.000 0.531 243 G N 1.288 110.095 108.800 0.012 0.000 2.432 243 G HA2 -0.235 3.714 3.960 -0.017 0.000 0.219 243 G HA3 -0.235 3.714 3.960 -0.017 0.000 0.219 243 G C 1.586 176.457 174.900 -0.048 0.000 1.135 243 G CA 1.274 46.365 45.100 -0.015 0.000 0.767 243 G HN 0.631 nan 8.290 nan 0.000 0.550 244 H N 0.137 119.152 119.070 -0.092 0.000 2.545 244 H HA 0.122 4.668 4.556 -0.017 0.000 0.282 244 H C 1.755 176.964 175.328 -0.197 0.000 1.020 244 H CA 0.621 56.600 56.048 -0.116 0.000 1.243 244 H CB -0.309 29.393 29.762 -0.099 0.000 1.377 244 H HN 0.393 nan 8.280 nan 0.000 0.581 245 L N -0.358 120.429 121.223 -0.726 0.000 2.693 245 L HA 0.310 4.640 4.340 -0.017 0.000 0.235 245 L C 1.486 178.096 176.870 -0.435 0.000 1.127 245 L CA 0.375 54.747 54.840 -0.781 0.000 0.914 245 L CB 0.641 41.952 42.059 -1.247 0.000 1.193 245 L HN 0.508 nan 8.230 nan 0.000 0.502 246 G N 0.796 109.428 108.800 -0.281 0.000 2.141 246 G HA2 -0.244 3.706 3.960 -0.017 0.000 0.231 246 G HA3 -0.244 3.706 3.960 -0.017 0.000 0.231 246 G C 0.068 174.882 174.900 -0.143 0.000 0.984 246 G CA -0.374 44.612 45.100 -0.191 0.000 0.660 246 G HN 0.176 nan 8.290 nan 0.000 0.525 247 L N 1.251 122.399 121.223 -0.125 0.000 2.281 247 L HA 0.665 4.994 4.340 -0.017 0.000 0.285 247 L C 1.176 178.007 176.870 -0.066 0.000 1.074 247 L CA -0.224 54.585 54.840 -0.051 0.000 0.817 247 L CB 1.285 43.352 42.059 0.013 0.000 1.168 247 L HN 0.339 nan 8.230 nan 0.000 0.434 248 A N 2.986 125.767 122.820 -0.064 0.000 2.406 248 A HA 0.188 4.498 4.320 -0.017 0.000 0.243 248 A C 1.212 178.736 177.584 -0.099 0.000 1.082 248 A CA -0.273 51.718 52.037 -0.076 0.000 0.786 248 A CB 0.443 19.401 19.000 -0.069 0.000 1.029 248 A HN 0.844 nan 8.150 nan 0.000 0.495 249 R N 1.171 121.597 120.500 -0.124 0.000 2.091 249 R HA -0.049 4.281 4.340 -0.017 0.000 0.238 249 R C 1.278 177.456 176.300 -0.204 0.000 1.136 249 R CA 1.985 57.952 56.100 -0.222 0.000 0.959 249 R CB -0.921 29.268 30.300 -0.185 0.000 0.856 249 R HN 1.354 nan 8.270 nan 0.000 0.437 250 S N -3.050 112.584 115.700 -0.110 0.000 3.525 250 S HA -0.106 4.354 4.470 -0.017 0.000 0.629 250 S C 0.647 175.208 174.600 -0.065 0.000 2.621 250 S CA 2.311 60.471 58.200 -0.067 0.000 3.752 250 S CB -1.657 61.512 63.200 -0.051 0.000 0.260 250 S HN 1.617 nan 8.310 nan 0.000 1.214 251 G N 0.567 109.347 108.800 -0.033 0.000 2.693 251 G HA2 -0.069 3.881 3.960 -0.017 0.000 0.226 251 G HA3 -0.069 3.881 3.960 -0.017 0.000 0.226 251 G C -2.923 172.007 174.900 0.050 0.000 1.354 251 G CA 0.010 45.110 45.100 -0.000 0.000 0.873 251 G HN 1.115 nan 8.290 nan 0.000 0.562 252 P HA 0.389 nan 4.420 nan 0.000 0.279 252 P C 0.802 178.181 177.300 0.131 0.000 1.239 252 P CA -0.490 62.697 63.100 0.145 0.000 0.789 252 P CB 1.450 33.155 31.700 0.008 0.000 0.933 253 L N 1.679 123.023 121.223 0.201 0.000 2.240 253 L HA 0.079 4.409 4.340 -0.017 0.000 0.211 253 L C 0.711 177.683 176.870 0.170 0.000 1.106 253 L CA 1.731 56.660 54.840 0.149 0.000 0.793 253 L CB -0.479 41.655 42.059 0.125 0.000 0.927 253 L HN 0.336 nan 8.230 nan 0.000 0.446 254 D N -1.069 119.482 120.400 0.251 0.000 2.458 254 D HA 0.323 4.952 4.640 -0.017 0.000 0.258 254 D C 1.000 177.292 176.300 -0.014 0.000 1.134 254 D CA 0.381 54.513 54.000 0.219 0.000 0.915 254 D CB 1.199 42.225 40.800 0.377 0.000 1.028 254 D HN 0.135 nan 8.370 nan 0.000 0.508 255 A N 4.309 127.122 122.820 -0.013 0.000 1.898 255 A HA 0.009 4.319 4.320 -0.017 0.000 0.216 255 A C -0.543 176.933 177.584 -0.180 0.000 1.181 255 A CA 0.897 52.866 52.037 -0.114 0.000 0.620 255 A CB -0.948 18.032 19.000 -0.032 0.000 0.819 255 A HN 0.449 nan 8.150 nan 0.000 0.442 256 P HA -0.080 nan 4.420 nan 0.000 0.216 256 P C 1.664 178.825 177.300 -0.231 0.000 1.150 256 P CA 1.689 64.671 63.100 -0.197 0.000 0.837 256 P CB -0.072 31.468 31.700 -0.266 0.000 0.786 257 S N -0.448 115.115 115.700 -0.229 0.000 2.368 257 S HA -0.109 4.351 4.470 -0.017 0.000 0.224 257 S C 2.057 176.378 174.600 -0.465 0.000 1.029 257 S CA 1.306 59.345 58.200 -0.269 0.000 0.988 257 S CB -1.044 62.099 63.200 -0.095 0.000 0.838 257 S HN 0.136 nan 8.310 nan 0.000 0.462 258 A N 2.135 124.461 122.820 -0.822 0.000 1.877 258 A HA -0.125 4.185 4.320 -0.017 0.000 0.216 258 A C 2.151 179.541 177.584 -0.323 0.000 1.186 258 A CA 1.290 52.873 52.037 -0.757 0.000 0.620 258 A CB -0.492 18.053 19.000 -0.758 0.000 0.822 258 A HN 0.394 nan 8.150 nan 0.000 0.443 259 R N -1.225 119.114 120.500 -0.267 0.000 2.096 259 R HA -0.121 4.208 4.340 -0.017 0.000 0.235 259 R C 2.116 178.305 176.300 -0.185 0.000 1.127 259 R CA 1.410 57.398 56.100 -0.186 0.000 0.968 259 R CB -0.599 29.599 30.300 -0.169 0.000 0.861 259 R HN 0.498 nan 8.270 nan 0.000 0.440 260 L N 0.908 122.006 121.223 -0.209 0.000 2.017 260 L HA -0.103 4.226 4.340 -0.017 0.000 0.208 260 L C 2.279 179.072 176.870 -0.128 0.000 1.073 260 L CA 1.990 56.712 54.840 -0.198 0.000 0.745 260 L CB -0.802 41.153 42.059 -0.174 0.000 0.894 260 L HN 0.117 nan 8.230 nan 0.000 0.432 261 A N -0.359 122.400 122.820 -0.102 0.000 1.883 261 A HA -0.262 4.047 4.320 -0.017 0.000 0.217 261 A C 2.170 179.744 177.584 -0.017 0.000 1.186 261 A CA 2.058 54.082 52.037 -0.021 0.000 0.624 261 A CB -0.891 18.134 19.000 0.042 0.000 0.822 261 A HN 0.618 nan 8.150 nan 0.000 0.444 262 N N -0.419 118.255 118.700 -0.044 0.000 2.120 262 N HA -0.117 4.612 4.740 -0.017 0.000 0.188 262 N C 1.867 177.347 175.510 -0.049 0.000 1.024 262 N CA 1.362 54.392 53.050 -0.034 0.000 0.852 262 N CB -0.386 38.075 38.487 -0.042 0.000 1.003 262 N HN 0.526 nan 8.380 nan 0.000 0.424 263 R N 0.424 120.873 120.500 -0.085 0.000 2.115 263 R HA 0.058 4.388 4.340 -0.017 0.000 0.230 263 R C 2.209 178.465 176.300 -0.073 0.000 1.111 263 R CA 0.537 56.577 56.100 -0.100 0.000 0.976 263 R CB -0.243 29.957 30.300 -0.167 0.000 0.870 263 R HN 0.203 nan 8.270 nan 0.000 0.445 264 L N 0.485 121.675 121.223 -0.055 0.000 2.191 264 L HA -0.106 4.224 4.340 -0.017 0.000 0.212 264 L C 1.723 178.589 176.870 -0.007 0.000 1.103 264 L CA 0.809 55.641 54.840 -0.015 0.000 0.769 264 L CB -0.095 41.974 42.059 0.017 0.000 0.908 264 L HN 0.146 nan 8.230 nan 0.000 0.438 265 V N -3.911 115.994 119.914 -0.014 0.000 3.271 265 V HA 0.519 4.629 4.120 -0.017 0.000 0.327 265 V C 1.165 177.251 176.094 -0.014 0.000 1.389 265 V CA 0.177 62.469 62.300 -0.013 0.000 1.156 265 V CB -0.309 31.506 31.823 -0.013 0.000 1.103 265 V HN 0.423 nan 8.190 nan 0.000 0.453 266 G N 1.010 109.798 108.800 -0.020 0.000 2.143 266 G HA2 -0.263 3.687 3.960 -0.017 0.000 0.248 266 G HA3 -0.263 3.687 3.960 -0.017 0.000 0.248 266 G C -0.011 174.876 174.900 -0.022 0.000 0.991 266 G CA 0.381 45.468 45.100 -0.021 0.000 0.689 266 G HN 0.624 nan 8.290 nan 0.000 0.522 267 N N 0.568 119.255 118.700 -0.022 0.000 2.493 267 N HA 0.535 5.264 4.740 -0.017 0.000 0.275 267 N C 0.982 176.474 175.510 -0.029 0.000 1.186 267 N CA 0.436 53.475 53.050 -0.019 0.000 0.978 267 N CB 0.669 39.150 38.487 -0.009 0.000 1.184 267 N HN 0.464 nan 8.380 nan 0.000 0.487 268 G N -0.612 108.174 108.800 -0.024 0.000 2.491 268 G HA2 0.281 4.230 3.960 -0.017 0.000 0.238 268 G HA3 0.281 4.230 3.960 -0.017 0.000 0.238 268 G C 1.006 175.885 174.900 -0.034 0.000 1.277 268 G CA 0.083 45.166 45.100 -0.029 0.000 0.851 268 G HN 0.615 nan 8.290 nan 0.000 0.573 269 A N 1.562 124.354 122.820 -0.047 0.000 1.986 269 A HA 0.042 4.352 4.320 -0.017 0.000 0.220 269 A C 2.289 179.848 177.584 -0.042 0.000 1.171 269 A CA 2.103 54.104 52.037 -0.060 0.000 0.640 269 A CB -0.303 18.654 19.000 -0.071 0.000 0.811 269 A HN 1.200 nan 8.150 nan 0.000 0.451 270 G N -1.320 107.470 108.800 -0.016 0.000 3.337 270 G HA2 0.458 4.408 3.960 -0.017 0.000 0.246 270 G HA3 0.458 4.408 3.960 -0.017 0.000 0.246 270 G C 0.506 175.418 174.900 0.021 0.000 1.131 270 G CA 0.506 45.611 45.100 0.010 0.000 0.773 270 G HN 0.738 nan 8.290 nan 0.000 0.544 271 A N 0.991 123.817 122.820 0.011 0.000 2.520 271 A HA 0.508 4.818 4.320 -0.017 0.000 0.235 271 A C -2.194 175.411 177.584 0.035 0.000 1.065 271 A CA -0.704 51.346 52.037 0.021 0.000 0.764 271 A CB 0.183 19.192 19.000 0.014 0.000 1.002 271 A HN 0.158 nan 8.150 nan 0.000 0.502 272 P HA 0.335 nan 4.420 nan 0.000 0.267 272 P C -0.440 176.903 177.300 0.072 0.000 1.205 272 P CA 0.310 63.444 63.100 0.056 0.000 0.765 272 P CB 0.426 32.156 31.700 0.051 0.000 0.828 273 L N 0.758 122.038 121.223 0.096 0.000 2.389 273 L HA 0.617 4.947 4.340 -0.017 0.000 0.249 273 L C -1.494 175.473 176.870 0.161 0.000 1.083 273 L CA -1.357 53.563 54.840 0.134 0.000 0.876 273 L CB 1.305 43.451 42.059 0.146 0.000 1.489 273 L HN 0.022 nan 8.230 nan 0.000 0.412 274 L N 1.489 122.830 121.223 0.196 0.000 2.289 274 L HA 0.505 4.834 4.340 -0.017 0.000 0.285 274 L C -0.209 176.753 176.870 0.153 0.000 1.049 274 L CA -0.138 54.813 54.840 0.185 0.000 0.804 274 L CB 1.521 43.708 42.059 0.214 0.000 1.195 274 L HN 0.690 nan 8.230 nan 0.000 0.428 275 E N 4.010 124.234 120.200 0.041 0.000 2.183 275 E HA 0.556 4.896 4.350 -0.017 0.000 0.271 275 E C -1.613 174.892 176.600 -0.157 0.000 0.919 275 E CA -0.635 55.582 56.400 -0.305 0.000 0.781 275 E CB 1.457 31.045 29.700 -0.186 0.000 1.140 275 E HN 0.375 nan 8.360 nan 0.000 0.402 276 F N 1.204 120.930 119.950 -0.374 0.000 2.599 276 F HA 0.861 5.377 4.527 -0.017 0.000 0.311 276 F C -1.123 174.583 175.800 -0.157 0.000 1.076 276 F CA -1.113 56.731 58.000 -0.259 0.000 0.937 276 F CB 1.425 40.196 39.000 -0.381 0.000 1.282 276 F HN 0.408 nan 8.300 nan 0.000 0.460 277 A N 1.770 124.691 122.820 0.168 0.000 2.449 277 A HA 0.749 5.059 4.320 -0.017 0.000 0.302 277 A C -0.769 177.081 177.584 0.444 0.000 1.048 277 A CA -0.765 51.383 52.037 0.184 0.000 0.708 277 A CB 0.312 19.385 19.000 0.122 0.000 1.274 277 A HN 1.195 nan 8.150 nan 0.000 0.410 278 Y N 0.048 120.575 120.300 0.379 0.000 2.740 278 Y HA -0.296 4.242 4.550 -0.019 0.000 0.482 278 Y C 0.780 176.921 175.900 0.402 0.000 1.156 278 Y CA 2.392 60.647 58.100 0.258 0.000 2.839 278 Y CB -0.977 37.569 38.460 0.144 0.000 0.979 278 Y HN 0.729 nan 8.280 nan 0.000 0.561 279 K N 1.588 122.324 120.400 0.561 0.000 2.471 279 K HA 0.588 4.897 4.320 -0.017 0.000 0.252 279 K C -0.034 176.712 176.600 0.244 0.000 0.938 279 K CA -0.000 56.543 56.287 0.426 0.000 0.796 279 K CB 1.757 34.411 32.500 0.257 0.000 1.161 279 K HN 0.325 nan 8.250 nan 0.000 0.425 280 G N 3.428 112.251 108.800 0.037 0.000 2.528 280 G HA2 0.460 4.409 3.960 -0.017 0.000 0.289 280 G HA3 0.460 4.409 3.960 -0.017 0.000 0.289 280 G C -2.506 172.262 174.900 -0.220 0.000 1.192 280 G CA -1.216 43.620 45.100 -0.440 0.000 0.921 280 G HN 0.442 nan 8.290 nan 0.000 0.512 281 P HA 0.320 nan 4.420 nan 0.000 0.276 281 P C -0.673 176.608 177.300 -0.031 0.000 1.261 281 P CA -0.458 62.581 63.100 -0.101 0.000 0.800 281 P CB 1.519 33.161 31.700 -0.098 0.000 1.066 282 V N 1.965 121.876 119.914 -0.004 0.000 2.347 282 V HA 0.345 4.454 4.120 -0.017 0.000 0.280 282 V C 0.341 176.464 176.094 0.048 0.000 1.021 282 V CA -0.358 61.937 62.300 -0.009 0.000 0.847 282 V CB 0.599 32.419 31.823 -0.005 0.000 0.990 282 V HN 0.325 nan 8.190 nan 0.000 0.444 283 L N 4.126 125.401 121.223 0.085 0.000 2.362 283 L HA 0.734 5.064 4.340 -0.017 0.000 0.271 283 L C -0.151 176.938 176.870 0.365 0.000 1.002 283 L CA -0.371 54.615 54.840 0.243 0.000 0.818 283 L CB 2.553 44.849 42.059 0.396 0.000 1.298 283 L HN 0.499 nan 8.230 nan 0.000 0.420 284 T N 1.347 116.072 114.554 0.284 0.000 2.848 284 T HA 0.575 4.915 4.350 -0.017 0.000 0.285 284 T C -0.061 174.608 174.700 -0.051 0.000 0.995 284 T CA -0.511 61.719 62.100 0.215 0.000 0.970 284 T CB 1.843 70.771 68.868 0.099 0.000 0.976 284 T HN 0.665 nan 8.240 nan 0.000 0.441 285 A N 2.872 125.482 122.820 -0.351 0.000 2.477 285 A HA 0.475 4.785 4.320 -0.017 0.000 0.246 285 A C 0.939 178.309 177.584 -0.356 0.000 1.078 285 A CA -0.244 51.318 52.037 -0.792 0.000 0.770 285 A CB -0.082 18.155 19.000 -1.273 0.000 1.011 285 A HN 0.972 nan 8.150 nan 0.000 0.494 286 L N 1.575 122.616 121.223 -0.303 0.000 2.616 286 L HA 0.226 4.556 4.340 -0.017 0.000 0.229 286 L C 1.074 177.853 176.870 -0.152 0.000 1.110 286 L CA 0.184 54.922 54.840 -0.171 0.000 0.884 286 L CB -0.440 41.545 42.059 -0.123 0.000 1.115 286 L HN 0.927 nan 8.230 nan 0.000 0.481 287 R N -2.135 118.244 120.500 -0.202 0.000 2.752 287 R HA 0.370 4.700 4.340 -0.017 0.000 0.271 287 R C -1.526 174.669 176.300 -0.176 0.000 1.026 287 R CA -1.000 55.012 56.100 -0.147 0.000 0.901 287 R CB 0.887 31.119 30.300 -0.114 0.000 1.243 287 R HN -0.276 nan 8.270 nan 0.000 0.463 288 D N 1.580 121.917 120.400 -0.104 0.000 2.371 288 D HA 0.266 4.896 4.640 -0.017 0.000 0.256 288 D C -0.271 175.984 176.300 -0.074 0.000 1.193 288 D CA 0.314 54.271 54.000 -0.073 0.000 0.881 288 D CB 0.788 41.574 40.800 -0.023 0.000 1.143 288 D HN 0.276 nan 8.370 nan 0.000 0.473 289 L N 1.398 122.581 121.223 -0.066 0.000 2.341 289 L HA 0.514 4.844 4.340 -0.017 0.000 0.267 289 L C -0.294 176.596 176.870 0.033 0.000 1.009 289 L CA -1.237 53.581 54.840 -0.035 0.000 0.819 289 L CB 2.156 44.165 42.059 -0.083 0.000 1.323 289 L HN -0.023 nan 8.230 nan 0.000 0.425 290 V N 1.558 121.470 119.914 -0.004 0.000 2.370 290 V HA 0.769 4.879 4.120 -0.017 0.000 0.283 290 V C 0.049 176.077 176.094 -0.111 0.000 1.023 290 V CA -0.310 61.957 62.300 -0.056 0.000 0.857 290 V CB 1.281 33.082 31.823 -0.036 0.000 0.985 290 V HN 0.868 nan 8.190 nan 0.000 0.443 291 A N 4.172 126.784 122.820 -0.348 0.000 2.430 291 A HA 1.047 5.357 4.320 -0.017 0.000 0.300 291 A C -0.492 176.759 177.584 -0.554 0.000 1.124 291 A CA -0.369 51.445 52.037 -0.372 0.000 0.766 291 A CB 2.034 20.881 19.000 -0.255 0.000 1.328 291 A HN 1.373 nan 8.150 nan 0.000 0.424 292 A N 0.035 122.773 122.820 -0.135 0.000 2.449 292 A HA 0.718 5.028 4.320 -0.017 0.000 0.302 292 A C -1.270 176.540 177.584 0.377 0.000 1.048 292 A CA -0.356 51.745 52.037 0.108 0.000 0.708 292 A CB 0.880 19.927 19.000 0.078 0.000 1.274 292 A HN 1.576 nan 8.150 nan 0.000 0.410 293 F N 2.122 122.282 119.950 0.350 0.000 2.458 293 F HA 0.742 5.258 4.527 -0.018 0.000 0.336 293 F C 0.046 175.962 175.800 0.195 0.000 1.114 293 F CA -0.091 58.108 58.000 0.333 0.000 0.987 293 F CB 1.297 40.550 39.000 0.423 0.000 1.130 293 F HN 0.919 nan 8.300 nan 0.000 0.458 294 A N 3.997 126.578 122.820 -0.398 0.000 2.569 294 A HA 0.932 5.242 4.320 -0.017 0.000 0.290 294 A C -0.074 177.194 177.584 -0.526 0.000 1.136 294 A CA -0.275 51.461 52.037 -0.503 0.000 0.710 294 A CB 0.983 19.863 19.000 -0.201 0.000 1.303 294 A HN 1.949 nan 8.150 nan 0.000 0.413 295 G N -1.433 107.056 108.800 -0.517 0.000 2.512 295 G HA2 0.242 4.192 3.960 -0.017 0.000 0.210 295 G HA3 0.242 4.192 3.960 -0.017 0.000 0.210 295 G C -0.861 173.583 174.900 -0.760 0.000 1.295 295 G CA 0.029 44.875 45.100 -0.422 0.000 0.934 295 G HN 1.668 nan 8.290 nan 0.000 0.554 296 Y N -1.120 119.216 120.300 0.059 0.000 2.644 296 Y HA 0.579 5.122 4.550 -0.011 0.000 0.338 296 Y C 1.235 177.204 175.900 0.114 0.000 1.119 296 Y CA 0.279 58.435 58.100 0.093 0.000 1.060 296 Y CB 1.673 40.184 38.460 0.085 0.000 1.294 296 Y HN 2.212 nan 8.280 nan 0.000 0.472 297 G N -0.211 108.692 108.800 0.172 0.000 2.195 297 G HA2 -0.240 3.710 3.960 -0.017 0.000 0.246 297 G HA3 -0.240 3.710 3.960 -0.017 0.000 0.246 297 G C -0.580 173.989 174.900 -0.552 0.000 0.984 297 G CA -0.011 44.944 45.100 -0.241 0.000 0.633 297 G HN 0.439 nan 8.290 nan 0.000 0.525 298 F N -0.937 119.204 119.950 0.318 0.000 2.686 298 F HA 0.661 5.182 4.527 -0.010 0.000 0.311 298 F C 0.066 176.113 175.800 0.412 0.000 1.128 298 F CA -0.759 57.452 58.000 0.352 0.000 0.946 298 F CB 1.911 41.172 39.000 0.434 0.000 1.336 298 F HN 0.440 nan 8.300 nan 0.000 0.457 299 V N -0.210 119.976 119.914 0.453 0.000 2.555 299 V HA 0.951 5.060 4.120 -0.017 0.000 0.302 299 V C -0.253 175.855 176.094 0.023 0.000 1.038 299 V CA -1.030 61.453 62.300 0.306 0.000 0.887 299 V CB 1.005 32.928 31.823 0.168 0.000 0.991 299 V HN 1.053 nan 8.190 nan 0.000 0.434 300 A N 4.234 126.908 122.820 -0.243 0.000 2.371 300 A HA 0.758 5.068 4.320 -0.017 0.000 0.257 300 A C -0.602 176.685 177.584 -0.496 0.000 1.089 300 A CA -0.342 51.313 52.037 -0.635 0.000 0.794 300 A CB 0.781 19.285 19.000 -0.827 0.000 1.029 300 A HN 1.326 nan 8.150 nan 0.000 0.488 301 L N 2.411 123.273 121.223 -0.602 0.000 2.349 301 L HA 0.732 5.062 4.340 -0.017 0.000 0.278 301 L C -1.275 175.319 176.870 -0.461 0.000 0.996 301 L CA -0.451 54.140 54.840 -0.415 0.000 0.825 301 L CB 1.510 43.392 42.059 -0.295 0.000 1.243 301 L HN 0.647 nan 8.230 nan 0.000 0.412 302 L N 4.376 125.374 121.223 -0.374 0.000 2.476 302 L HA 0.482 4.812 4.340 -0.017 0.000 0.269 302 L C -0.072 176.695 176.870 -0.173 0.000 0.965 302 L CA 0.144 54.795 54.840 -0.315 0.000 0.845 302 L CB 1.564 43.368 42.059 -0.426 0.000 1.259 302 L HN 0.764 nan 8.230 nan 0.000 0.403 303 E N 4.027 124.165 120.200 -0.104 0.000 2.360 303 E HA -0.264 4.076 4.350 -0.017 0.000 0.238 303 E C 1.034 177.598 176.600 -0.060 0.000 1.186 303 E CA 0.810 57.179 56.400 -0.053 0.000 0.719 303 E CB -1.399 28.290 29.700 -0.019 0.000 1.236 303 E HN 1.314 nan 8.360 nan 0.000 0.386 304 G N -0.670 108.083 108.800 -0.079 0.000 2.225 304 G HA2 -0.318 3.631 3.960 -0.017 0.000 0.254 304 G HA3 -0.318 3.631 3.960 -0.017 0.000 0.254 304 G C 0.043 174.898 174.900 -0.075 0.000 0.988 304 G CA 0.538 45.598 45.100 -0.067 0.000 0.625 304 G HN 0.265 nan 8.290 nan 0.000 0.527 305 E N 1.179 121.322 120.200 -0.096 0.000 2.231 305 E HA 0.448 4.788 4.350 -0.017 0.000 0.277 305 E C 0.068 176.588 176.600 -0.133 0.000 0.999 305 E CA -0.430 55.913 56.400 -0.095 0.000 0.827 305 E CB 1.224 30.870 29.700 -0.089 0.000 1.101 305 E HN 0.579 nan 8.360 nan 0.000 0.393 306 E N 1.864 122.006 120.200 -0.096 0.000 2.283 306 E HA 0.334 4.674 4.350 -0.017 0.000 0.278 306 E C -0.270 176.274 176.600 -0.093 0.000 1.027 306 E CA -0.265 56.078 56.400 -0.095 0.000 0.843 306 E CB 1.032 30.710 29.700 -0.037 0.000 1.062 306 E HN 0.308 nan 8.360 nan 0.000 0.401 307 I N 5.661 126.158 120.570 -0.121 0.000 2.420 307 I HA 0.248 4.408 4.170 -0.017 0.000 0.282 307 I C -2.209 173.980 176.117 0.120 0.000 1.019 307 I CA -2.338 58.918 61.300 -0.073 0.000 1.130 307 I CB 1.401 39.224 38.000 -0.294 0.000 1.262 307 I HN 0.224 nan 8.210 nan 0.000 0.454 308 P HA 0.240 nan 4.420 nan 0.000 0.274 308 P C -2.614 174.830 177.300 0.241 0.000 1.237 308 P CA -1.647 61.582 63.100 0.215 0.000 0.793 308 P CB -0.173 31.597 31.700 0.116 0.000 0.977 309 P HA 0.086 nan 4.420 nan 0.000 0.272 309 P C 0.679 177.886 177.300 -0.154 0.000 1.223 309 P CA 0.708 63.607 63.100 -0.335 0.000 0.784 309 P CB 0.067 31.331 31.700 -0.727 0.000 0.923 310 G N 0.487 109.205 108.800 -0.137 0.000 2.138 310 G HA2 -0.107 3.842 3.960 -0.017 0.000 0.193 310 G HA3 -0.107 3.842 3.960 -0.017 0.000 0.193 310 G C -0.266 174.678 174.900 0.073 0.000 0.998 310 G CA 0.120 45.204 45.100 -0.027 0.000 0.668 310 G HN 0.885 nan 8.290 nan 0.000 0.516 311 Q N -0.723 119.157 119.800 0.133 0.000 2.462 311 Q HA 0.752 5.082 4.340 -0.017 0.000 0.285 311 Q C -0.328 175.834 176.000 0.271 0.000 1.035 311 Q CA -0.342 55.569 55.803 0.180 0.000 0.799 311 Q CB 1.542 30.382 28.738 0.171 0.000 1.452 311 Q HN 0.911 nan 8.270 nan 0.000 0.404 312 S N 0.647 116.473 115.700 0.210 0.000 2.651 312 S HA 0.902 5.362 4.470 -0.017 0.000 0.291 312 S C -0.526 174.225 174.600 0.252 0.000 1.141 312 S CA -0.515 57.774 58.200 0.148 0.000 1.027 312 S CB 0.636 63.854 63.200 0.029 0.000 1.043 312 S HN 0.679 nan 8.310 nan 0.000 0.530 313 F N -0.565 119.443 119.950 0.096 0.000 2.668 313 F HA 0.600 5.117 4.527 -0.017 0.000 0.309 313 F C -1.354 174.515 175.800 0.115 0.000 1.117 313 F CA -1.604 56.447 58.000 0.084 0.000 0.951 313 F CB 0.918 39.950 39.000 0.053 0.000 1.323 313 F HN 0.587 nan 8.300 nan 0.000 0.451 314 L N 2.714 124.106 121.223 0.282 0.000 2.331 314 L HA 0.277 4.607 4.340 -0.017 0.000 0.278 314 L C -1.533 175.588 176.870 0.417 0.000 1.106 314 L CA 0.056 55.032 54.840 0.228 0.000 0.824 314 L CB 1.109 43.266 42.059 0.163 0.000 1.142 314 L HN 0.947 nan 8.230 nan 0.000 0.443 315 W N 9.306 130.678 121.300 0.120 0.000 2.413 315 W HA 0.512 5.163 4.660 -0.015 0.000 0.308 315 W C -2.559 174.004 176.519 0.073 0.000 0.997 315 W CA -3.104 54.337 57.345 0.159 0.000 1.447 315 W CB 0.759 30.313 29.460 0.157 0.000 1.263 315 W HN 0.375 nan 8.180 nan 0.000 0.416 316 P HA 0.165 nan 4.420 nan 0.000 0.277 316 P C -0.212 177.083 177.300 -0.009 0.000 1.240 316 P CA -0.313 62.846 63.100 0.099 0.000 0.798 316 P CB 0.631 32.396 31.700 0.109 0.000 0.979 317 R N 1.884 122.345 120.500 -0.065 0.000 2.523 317 R HA 0.147 4.477 4.340 -0.017 0.000 0.281 317 R C 1.082 177.354 176.300 -0.045 0.000 0.969 317 R CA 1.493 57.533 56.100 -0.100 0.000 1.093 317 R CB -1.107 29.150 30.300 -0.072 0.000 0.917 317 R HN 0.843 nan 8.270 nan 0.000 0.408 318 G N 2.909 111.675 108.800 -0.056 0.000 2.179 318 G HA2 -0.241 3.709 3.960 -0.017 0.000 0.260 318 G HA3 -0.241 3.709 3.960 -0.017 0.000 0.260 318 G C -0.371 174.558 174.900 0.048 0.000 0.977 318 G CA 0.325 45.422 45.100 -0.005 0.000 0.641 318 G HN 0.537 nan 8.290 nan 0.000 0.533 319 K N 1.165 121.627 120.400 0.104 0.000 2.143 319 K HA 0.600 4.909 4.320 -0.017 0.000 0.272 319 K C 0.024 176.817 176.600 0.322 0.000 1.001 319 K CA -0.186 56.214 56.287 0.188 0.000 0.915 319 K CB 1.305 33.943 32.500 0.231 0.000 1.047 319 K HN 0.120 nan 8.250 nan 0.000 0.458 320 T N 2.565 117.231 114.554 0.187 0.000 2.795 320 T HA 0.330 4.670 4.350 -0.017 0.000 0.282 320 T C -0.392 174.299 174.700 -0.016 0.000 0.980 320 T CA -0.602 61.586 62.100 0.147 0.000 1.012 320 T CB 0.697 69.596 68.868 0.050 0.000 0.936 320 T HN 0.241 nan 8.240 nan 0.000 0.457 321 L N 4.508 125.662 121.223 -0.115 0.000 2.307 321 L HA 0.641 4.971 4.340 -0.017 0.000 0.284 321 L C -0.177 176.335 176.870 -0.596 0.000 1.023 321 L CA -0.133 54.372 54.840 -0.558 0.000 0.810 321 L CB 0.731 42.170 42.059 -1.035 0.000 1.231 321 L HN 0.571 nan 8.230 nan 0.000 0.423 322 R N 3.564 123.609 120.500 -0.758 0.000 2.912 322 R HA 0.651 4.981 4.340 -0.017 0.000 0.262 322 R C -1.607 174.050 176.300 -1.072 0.000 1.057 322 R CA -0.674 55.024 56.100 -0.670 0.000 0.981 322 R CB 1.799 31.906 30.300 -0.322 0.000 1.201 322 R HN 0.428 nan 8.270 nan 0.000 0.484 323 F N 0.579 120.336 119.950 -0.321 0.000 2.553 323 F HA 0.402 4.918 4.527 -0.018 0.000 0.335 323 F C 0.116 175.931 175.800 0.024 0.000 1.148 323 F CA -0.682 57.142 58.000 -0.293 0.000 0.963 323 F CB 1.598 40.211 39.000 -0.645 0.000 1.217 323 F HN 0.143 nan 8.300 nan 0.000 0.441 324 R N 4.700 125.320 120.500 0.199 0.000 2.216 324 R HA 0.418 4.747 4.340 -0.017 0.000 0.332 324 R C -2.691 173.805 176.300 0.327 0.000 1.056 324 R CA -1.590 54.634 56.100 0.206 0.000 0.901 324 R CB 0.768 31.117 30.300 0.083 0.000 1.039 324 R HN 0.204 nan 8.270 nan 0.000 0.456 325 P HA 0.019 nan 4.420 nan 0.000 0.265 325 P C -1.301 176.005 177.300 0.010 0.000 1.193 325 P CA 0.213 63.338 63.100 0.043 0.000 0.765 325 P CB 0.637 32.348 31.700 0.019 0.000 0.823 326 R N 2.274 122.739 120.500 -0.058 0.000 2.579 326 R HA 0.530 4.860 4.340 -0.017 0.000 0.260 326 R C -0.257 176.040 176.300 -0.006 0.000 1.103 326 R CA 0.001 56.106 56.100 0.007 0.000 0.942 326 R CB 1.056 31.402 30.300 0.077 0.000 1.251 326 R HN 0.714 nan 8.270 nan 0.000 0.450 327 G N 3.211 112.015 108.800 0.006 0.000 2.698 327 G HA2 -0.226 3.724 3.960 -0.017 0.000 0.233 327 G HA3 -0.226 3.724 3.960 -0.017 0.000 0.233 327 G C -2.408 172.490 174.900 -0.002 0.000 1.352 327 G CA -0.304 44.809 45.100 0.021 0.000 0.879 327 G HN 0.606 nan 8.290 nan 0.000 0.567 328 P HA 0.564 nan 4.420 nan 0.000 0.274 328 P C 0.557 177.864 177.300 0.012 0.000 1.237 328 P CA 1.401 64.498 63.100 -0.006 0.000 0.793 328 P CB 0.913 32.612 31.700 -0.002 0.000 0.977 329 G N -0.738 108.049 108.800 -0.021 0.000 2.619 329 G HA2 0.098 4.047 3.960 -0.017 0.000 0.686 329 G HA3 0.098 4.047 3.960 -0.017 0.000 0.686 329 G C -0.037 174.790 174.900 -0.123 0.000 1.256 329 G CA -0.314 44.784 45.100 -0.003 0.000 0.826 329 G HN 0.865 nan 8.290 nan 0.000 0.619 330 V N -3.444 116.377 119.914 -0.155 0.000 3.400 330 V HA 0.611 4.721 4.120 -0.017 0.000 0.281 330 V C 0.490 176.485 176.094 -0.164 0.000 1.617 330 V CA 1.164 63.247 62.300 -0.361 0.000 1.044 330 V CB 0.566 31.930 31.823 -0.765 0.000 0.858 330 V HN 0.990 nan 8.190 nan 0.000 0.425 331 R N 0.727 121.213 120.500 -0.022 0.000 2.476 331 R HA 0.706 5.036 4.340 -0.017 0.000 0.305 331 R C -0.054 176.123 176.300 -0.205 0.000 0.965 331 R CA 0.174 56.207 56.100 -0.111 0.000 0.867 331 R CB 1.668 31.903 30.300 -0.107 0.000 1.176 331 R HN 0.524 nan 8.270 nan 0.000 0.447 332 G N 2.281 110.650 108.800 -0.719 0.000 2.511 332 G HA2 0.518 4.468 3.960 -0.017 0.000 0.318 332 G HA3 0.518 4.468 3.960 -0.017 0.000 0.318 332 G C -1.707 172.279 174.900 -1.524 0.000 1.210 332 G CA -0.369 44.181 45.100 -0.916 0.000 0.969 332 G HN 0.451 nan 8.290 nan 0.000 0.484 333 Y N -0.705 119.361 120.300 -0.391 0.000 2.442 333 Y HA 0.558 5.097 4.550 -0.019 0.000 0.344 333 Y C -0.461 175.566 175.900 0.213 0.000 0.976 333 Y CA -0.825 57.201 58.100 -0.123 0.000 1.040 333 Y CB 2.693 41.099 38.460 -0.091 0.000 1.228 333 Y HN 0.472 nan 8.280 nan 0.000 0.451 334 L N 3.268 124.735 121.223 0.407 0.000 2.343 334 L HA 0.919 5.248 4.340 -0.017 0.000 0.278 334 L C -0.753 176.296 176.870 0.299 0.000 0.996 334 L CA -0.464 54.633 54.840 0.428 0.000 0.831 334 L CB 0.959 43.290 42.059 0.452 0.000 1.232 334 L HN 0.707 nan 8.230 nan 0.000 0.413 335 A N 4.458 127.419 122.820 0.235 0.000 2.320 335 A HA 0.862 5.172 4.320 -0.017 0.000 0.334 335 A C -0.921 176.739 177.584 0.126 0.000 1.147 335 A CA -0.241 51.887 52.037 0.152 0.000 0.820 335 A CB 1.595 20.652 19.000 0.095 0.000 1.218 335 A HN 1.075 nan 8.150 nan 0.000 0.482 336 V N -1.136 118.838 119.914 0.101 0.000 2.735 336 V HA 0.845 4.954 4.120 -0.017 0.000 0.310 336 V C 0.308 176.423 176.094 0.034 0.000 1.061 336 V CA -0.586 61.758 62.300 0.074 0.000 0.913 336 V CB 0.971 32.853 31.823 0.098 0.000 1.005 336 V HN 1.793 nan 8.190 nan 0.000 0.428 337 A N 2.981 125.808 122.820 0.010 0.000 2.545 337 A HA 0.544 4.854 4.320 -0.017 0.000 0.253 337 A C 1.584 179.170 177.584 0.003 0.000 1.074 337 A CA 0.904 52.941 52.037 0.001 0.000 0.760 337 A CB -0.769 18.226 19.000 -0.008 0.000 1.005 337 A HN 2.841 nan 8.150 nan 0.000 0.506 338 G N 1.537 110.339 108.800 0.004 0.000 2.254 338 G HA2 0.282 4.232 3.960 -0.017 0.000 0.225 338 G HA3 0.282 4.232 3.960 -0.017 0.000 0.225 338 G C 1.632 176.539 174.900 0.011 0.000 1.003 338 G CA 0.611 45.713 45.100 0.004 0.000 0.622 338 G HN 3.115 nan 8.290 nan 0.000 0.507 339 G N -0.843 107.969 108.800 0.020 0.000 2.814 339 G HA2 0.114 4.063 3.960 -0.017 0.000 0.677 339 G HA3 0.114 4.063 3.960 -0.017 0.000 0.677 339 G C -0.190 174.730 174.900 0.033 0.000 1.429 339 G CA -0.161 44.957 45.100 0.030 0.000 0.868 339 G HN 1.261 nan 8.290 nan 0.000 0.553 340 L N 0.291 121.539 121.223 0.042 0.000 2.334 340 L HA 0.459 4.789 4.340 -0.017 0.000 0.277 340 L C 1.058 177.947 176.870 0.030 0.000 1.075 340 L CA -0.600 54.264 54.840 0.040 0.000 0.804 340 L CB 1.493 43.584 42.059 0.053 0.000 1.174 340 L HN 0.764 nan 8.230 nan 0.000 0.438 341 E N 2.539 122.753 120.200 0.023 0.000 2.257 341 E HA 0.374 4.714 4.350 -0.017 0.000 0.278 341 E C -1.519 175.094 176.600 0.022 0.000 1.049 341 E CA -0.310 56.102 56.400 0.020 0.000 0.876 341 E CB 0.819 30.528 29.700 0.014 0.000 1.035 341 E HN 0.329 nan 8.360 nan 0.000 0.419 342 V N 4.991 124.920 119.914 0.025 0.000 2.851 342 V HA 0.337 4.446 4.120 -0.017 0.000 0.307 342 V C -0.303 175.809 176.094 0.031 0.000 1.129 342 V CA -0.973 61.343 62.300 0.026 0.000 0.932 342 V CB 1.971 33.812 31.823 0.030 0.000 1.024 342 V HN 0.694 nan 8.190 nan 0.000 0.426 343 R N 4.133 124.652 120.500 0.032 0.000 2.438 343 R HA 0.406 4.736 4.340 -0.017 0.000 0.287 343 R C -2.413 173.926 176.300 0.064 0.000 1.077 343 R CA -1.337 54.789 56.100 0.043 0.000 1.034 343 R CB 1.231 31.556 30.300 0.042 0.000 0.993 343 R HN 0.479 nan 8.270 nan 0.000 0.459 344 P HA 0.125 nan 4.420 nan 0.000 0.279 344 P C -1.206 176.190 177.300 0.160 0.000 1.252 344 P CA -0.242 62.915 63.100 0.095 0.000 0.811 344 P CB 0.734 32.471 31.700 0.061 0.000 1.035 345 F N 3.504 123.461 119.950 0.012 0.000 2.499 345 F HA 0.338 4.854 4.527 -0.017 0.000 0.333 345 F C 0.368 176.192 175.800 0.039 0.000 1.138 345 F CA -0.839 57.171 58.000 0.017 0.000 0.945 345 F CB 0.663 39.664 39.000 0.002 0.000 1.181 345 F HN 0.183 nan 8.300 nan 0.000 0.435 346 L N 6.909 127.815 121.223 -0.528 0.000 3.762 346 L HA -0.277 4.053 4.340 -0.017 0.000 0.460 346 L C 1.069 177.883 176.870 -0.093 0.000 1.255 346 L CA 1.022 55.651 54.840 -0.352 0.000 0.783 346 L CB -1.725 40.056 42.059 -0.463 0.000 1.600 346 L HN 1.231 nan 8.230 nan 0.000 0.862 347 G N -1.301 107.478 108.800 -0.035 0.000 2.195 347 G HA2 -0.266 3.684 3.960 -0.017 0.000 0.246 347 G HA3 -0.266 3.684 3.960 -0.017 0.000 0.246 347 G C 0.104 175.047 174.900 0.071 0.000 0.984 347 G CA 0.384 45.502 45.100 0.030 0.000 0.633 347 G HN 0.874 nan 8.290 nan 0.000 0.525 348 S N -1.096 114.651 115.700 0.078 0.000 2.546 348 S HA 0.764 5.224 4.470 -0.017 0.000 0.274 348 S C 0.722 175.380 174.600 0.098 0.000 1.121 348 S CA 0.547 58.801 58.200 0.090 0.000 0.887 348 S CB 1.610 64.855 63.200 0.075 0.000 1.094 348 S HN 1.643 nan 8.310 nan 0.000 0.474 349 A N 2.488 125.354 122.820 0.077 0.000 2.275 349 A HA 0.431 4.740 4.320 -0.017 0.000 0.212 349 A C 0.769 178.383 177.584 0.051 0.000 1.201 349 A CA 0.001 52.078 52.037 0.066 0.000 0.843 349 A CB -0.301 18.731 19.000 0.053 0.000 0.873 349 A HN 0.641 nan 8.150 nan 0.000 0.492 350 S N 2.198 117.927 115.700 0.048 0.000 2.565 350 S HA 0.394 4.854 4.470 -0.017 0.000 0.276 350 S C -2.424 172.188 174.600 0.020 0.000 1.326 350 S CA -0.806 57.411 58.200 0.027 0.000 1.045 350 S CB 0.666 63.870 63.200 0.007 0.000 0.918 350 S HN 0.359 nan 8.310 nan 0.000 0.505 351 P HA 0.202 nan 4.420 nan 0.000 0.275 351 P C -1.049 176.242 177.300 -0.015 0.000 1.228 351 P CA -0.305 62.784 63.100 -0.019 0.000 0.786 351 P CB 0.547 32.229 31.700 -0.030 0.000 0.927 352 D N 2.699 123.084 120.400 -0.025 0.000 2.438 352 D HA 0.166 4.796 4.640 -0.017 0.000 0.257 352 D C 1.210 177.492 176.300 -0.030 0.000 1.148 352 D CA -0.405 53.583 54.000 -0.021 0.000 0.902 352 D CB 0.385 41.185 40.800 0.001 0.000 1.062 352 D HN 0.164 nan 8.370 nan 0.000 0.518 353 L N 2.225 123.432 121.223 -0.025 0.000 2.141 353 L HA -0.058 4.271 4.340 -0.017 0.000 0.209 353 L C 2.579 179.443 176.870 -0.010 0.000 1.094 353 L CA 0.600 55.427 54.840 -0.021 0.000 0.763 353 L CB -0.183 41.869 42.059 -0.012 0.000 0.908 353 L HN 0.296 nan 8.230 nan 0.000 0.437 354 R N 0.656 121.146 120.500 -0.018 0.000 2.091 354 R HA -0.149 4.180 4.340 -0.017 0.000 0.238 354 R C 1.949 178.244 176.300 -0.008 0.000 1.136 354 R CA 1.594 57.682 56.100 -0.019 0.000 0.959 354 R CB -0.349 29.920 30.300 -0.052 0.000 0.856 354 R HN 0.375 nan 8.270 nan 0.000 0.437 355 G N -0.504 108.288 108.800 -0.013 0.000 3.088 355 G HA2 -0.028 3.922 3.960 -0.017 0.000 0.212 355 G HA3 -0.028 3.922 3.960 -0.017 0.000 0.212 355 G C -0.149 174.820 174.900 0.115 0.000 1.173 355 G CA -0.193 44.926 45.100 0.031 0.000 0.779 355 G HN 0.368 nan 8.290 nan 0.000 0.540 356 R N -1.068 119.451 120.500 0.033 0.000 3.416 356 R HA -0.165 4.165 4.340 -0.017 0.000 0.263 356 R C -0.563 175.675 176.300 -0.103 0.000 1.053 356 R CA 0.434 56.527 56.100 -0.012 0.000 0.705 356 R CB -2.151 28.162 30.300 0.023 0.000 1.124 356 R HN 0.393 nan 8.270 nan 0.000 0.444 357 I N 0.907 121.397 120.570 -0.133 0.000 2.307 357 I HA 0.367 4.527 4.170 -0.017 0.000 0.289 357 I C 1.325 177.349 176.117 -0.154 0.000 1.021 357 I CA 0.583 61.737 61.300 -0.244 0.000 1.224 357 I CB 1.515 39.334 38.000 -0.303 0.000 1.376 357 I HN 0.444 nan 8.210 nan 0.000 0.470 358 G N 5.983 114.685 108.800 -0.162 0.000 2.750 358 G HA2 -0.189 3.761 3.960 -0.017 0.000 0.228 358 G HA3 -0.189 3.761 3.960 -0.017 0.000 0.228 358 G C -0.597 174.215 174.900 -0.147 0.000 1.367 358 G CA -0.117 44.903 45.100 -0.134 0.000 0.871 358 G HN 0.958 nan 8.290 nan 0.000 0.560 359 R N -1.926 118.469 120.500 -0.175 0.000 2.728 359 R HA 0.653 4.983 4.340 -0.017 0.000 0.274 359 R C -3.319 172.851 176.300 -0.217 0.000 1.032 359 R CA -1.448 54.522 56.100 -0.218 0.000 0.866 359 R CB 0.469 30.542 30.300 -0.378 0.000 1.263 359 R HN 0.560 nan 8.270 nan 0.000 0.475 360 P HA 0.143 nan 4.420 nan 0.000 0.272 360 P C -0.402 176.756 177.300 -0.237 0.000 1.230 360 P CA -0.479 62.540 63.100 -0.134 0.000 0.788 360 P CB 0.438 32.112 31.700 -0.042 0.000 0.949 361 L N 1.042 122.200 121.223 -0.108 0.000 2.461 361 L HA 0.159 4.489 4.340 -0.017 0.000 0.272 361 L C 0.207 177.107 176.870 0.050 0.000 1.197 361 L CA 0.146 54.944 54.840 -0.070 0.000 0.836 361 L CB 0.059 42.127 42.059 0.016 0.000 1.105 361 L HN 0.290 nan 8.230 nan 0.000 0.477 362 W N 0.594 121.909 121.300 0.026 0.000 2.706 362 W HA 0.555 5.204 4.660 -0.018 0.000 0.346 362 W C -0.048 176.483 176.519 0.021 0.000 1.071 362 W CA -1.617 55.740 57.345 0.022 0.000 1.206 362 W CB 1.629 31.100 29.460 0.018 0.000 1.413 362 W HN 0.477 nan 8.180 nan 0.000 0.542 363 A N 1.299 124.267 122.820 0.246 0.000 2.567 363 A HA 0.428 4.737 4.320 -0.017 0.000 0.240 363 A C 1.181 178.843 177.584 0.130 0.000 1.053 363 A CA 1.677 53.793 52.037 0.132 0.000 0.755 363 A CB -0.505 18.533 19.000 0.064 0.000 0.978 363 A HN 1.658 nan 8.150 nan 0.000 0.507 364 G N 2.014 110.876 108.800 0.105 0.000 2.213 364 G HA2 -0.190 3.760 3.960 -0.017 0.000 0.236 364 G HA3 -0.190 3.760 3.960 -0.017 0.000 0.236 364 G C -0.025 174.941 174.900 0.109 0.000 0.991 364 G CA 0.225 45.378 45.100 0.089 0.000 0.629 364 G HN 0.842 nan 8.290 nan 0.000 0.517 365 D N 0.598 121.083 120.400 0.143 0.000 2.455 365 D HA 0.406 5.036 4.640 -0.017 0.000 0.241 365 D C 0.449 176.794 176.300 0.075 0.000 1.138 365 D CA 0.405 54.476 54.000 0.119 0.000 0.877 365 D CB 1.649 42.514 40.800 0.109 0.000 1.187 365 D HN 0.185 nan 8.370 nan 0.000 0.451 366 V N 4.286 124.234 119.914 0.056 0.000 2.384 366 V HA 0.311 4.421 4.120 -0.017 0.000 0.287 366 V C 0.336 176.445 176.094 0.026 0.000 1.020 366 V CA -0.733 61.586 62.300 0.033 0.000 0.850 366 V CB 1.265 33.101 31.823 0.021 0.000 0.987 366 V HN 0.294 nan 8.190 nan 0.000 0.436 367 L N 4.198 125.434 121.223 0.022 0.000 2.322 367 L HA 0.854 5.184 4.340 -0.017 0.000 0.279 367 L C 0.693 177.564 176.870 0.003 0.000 1.036 367 L CA -0.314 54.538 54.840 0.021 0.000 0.807 367 L CB 1.765 43.848 42.059 0.041 0.000 1.226 367 L HN 0.736 nan 8.230 nan 0.000 0.433 368 G N 1.813 110.616 108.800 0.005 0.000 2.537 368 G HA2 0.669 4.619 3.960 -0.017 0.000 0.308 368 G HA3 0.669 4.619 3.960 -0.017 0.000 0.308 368 G C -0.865 174.036 174.900 0.000 0.000 1.237 368 G CA -0.837 44.260 45.100 -0.006 0.000 0.968 368 G HN 0.371 nan 8.290 nan 0.000 0.481 369 L N 0.559 121.777 121.223 -0.008 0.000 2.380 369 L HA 0.220 4.550 4.340 -0.017 0.000 0.273 369 L C 1.671 178.543 176.870 0.003 0.000 1.138 369 L CA -0.473 54.366 54.840 -0.002 0.000 0.832 369 L CB 1.604 43.657 42.059 -0.011 0.000 1.124 369 L HN 0.756 nan 8.230 nan 0.000 0.454 370 E N 2.539 122.745 120.200 0.009 0.000 2.106 370 E HA -0.011 4.328 4.350 -0.017 0.000 0.192 370 E C 0.100 176.702 176.600 0.004 0.000 0.984 370 E CA 1.230 57.635 56.400 0.009 0.000 0.806 370 E CB 0.360 30.068 29.700 0.013 0.000 0.750 370 E HN 0.692 nan 8.360 nan 0.000 0.458 371 A N -0.957 121.864 122.820 0.002 0.000 2.610 371 A HA 0.517 4.827 4.320 -0.017 0.000 0.291 371 A C -1.536 176.046 177.584 -0.004 0.000 1.086 371 A CA -0.784 51.252 52.037 -0.001 0.000 0.677 371 A CB 0.745 19.744 19.000 -0.000 0.000 1.278 371 A HN 0.092 nan 8.150 nan 0.000 0.414 372 L N 1.932 123.151 121.223 -0.006 0.000 2.295 372 L HA 0.426 4.756 4.340 -0.017 0.000 0.288 372 L C 0.024 176.890 176.870 -0.006 0.000 1.079 372 L CA -0.151 54.684 54.840 -0.008 0.000 0.830 372 L CB 0.220 42.274 42.059 -0.009 0.000 1.200 372 L HN 0.520 nan 8.230 nan 0.000 0.438 373 R N 4.121 124.617 120.500 -0.006 0.000 2.644 373 R HA 0.309 4.639 4.340 -0.017 0.000 0.271 373 R C -2.530 173.767 176.300 -0.006 0.000 1.687 373 R CA -1.544 54.553 56.100 -0.005 0.000 1.655 373 R CB 0.869 31.166 30.300 -0.005 0.000 1.285 373 R HN 0.324 nan 8.270 nan 0.000 0.643 374 P HA 0.121 nan 4.420 nan 0.000 0.271 374 P C 0.010 177.308 177.300 -0.002 0.000 1.216 374 P CA -0.081 63.017 63.100 -0.004 0.000 0.776 374 P CB 1.194 32.892 31.700 -0.003 0.000 0.881 375 V N 0.242 120.155 119.914 -0.002 0.000 3.114 375 V HA 0.572 4.682 4.120 -0.017 0.000 0.308 375 V C -0.104 175.994 176.094 0.006 0.000 1.168 375 V CA -1.496 60.804 62.300 0.001 0.000 1.015 375 V CB 2.008 33.830 31.823 -0.001 0.000 1.050 375 V HN 0.345 nan 8.190 nan 0.000 0.433 376 R N 2.601 123.108 120.500 0.012 0.000 2.590 376 R HA 0.418 4.748 4.340 -0.017 0.000 0.274 376 R C -2.209 174.105 176.300 0.024 0.000 1.061 376 R CA -1.056 55.056 56.100 0.020 0.000 1.081 376 R CB 0.469 30.782 30.300 0.023 0.000 0.984 376 R HN 0.695 nan 8.270 nan 0.000 0.448 377 P HA 0.092 nan 4.420 nan 0.000 0.277 377 P C 0.198 177.538 177.300 0.065 0.000 1.271 377 P CA -0.129 62.999 63.100 0.048 0.000 0.795 377 P CB 0.684 32.426 31.700 0.069 0.000 1.101 378 G N -0.792 108.063 108.800 0.092 0.000 2.132 378 G HA2 -0.189 3.760 3.960 -0.017 0.000 0.234 378 G HA3 -0.189 3.760 3.960 -0.017 0.000 0.234 378 G C 0.273 175.222 174.900 0.083 0.000 0.989 378 G CA -0.378 44.779 45.100 0.096 0.000 0.676 378 G HN 0.593 nan 8.290 nan 0.000 0.522 379 R N 0.145 120.692 120.500 0.079 0.000 2.582 379 R HA 0.645 4.975 4.340 -0.017 0.000 0.271 379 R C 0.227 176.586 176.300 0.099 0.000 1.078 379 R CA 0.684 56.831 56.100 0.078 0.000 1.127 379 R CB 1.186 31.525 30.300 0.065 0.000 1.038 379 R HN 0.857 nan 8.270 nan 0.000 0.500 380 A N 2.404 125.287 122.820 0.104 0.000 2.520 380 A HA 0.628 4.937 4.320 -0.017 0.000 0.298 380 A C -1.732 175.949 177.584 0.161 0.000 1.051 380 A CA -0.594 51.512 52.037 0.114 0.000 0.690 380 A CB 1.389 20.435 19.000 0.075 0.000 1.281 380 A HN 0.615 nan 8.150 nan 0.000 0.402 381 F N 3.123 123.066 119.950 -0.012 0.000 2.578 381 F HA 0.736 5.252 4.527 -0.018 0.000 0.311 381 F C -2.290 173.488 175.800 -0.037 0.000 1.094 381 F CA -1.873 56.111 58.000 -0.027 0.000 0.923 381 F CB 2.523 41.500 39.000 -0.039 0.000 1.230 381 F HN 0.430 nan 8.300 nan 0.000 0.450 382 P HA 0.122 nan 4.420 nan 0.000 0.271 382 P C -1.592 175.661 177.300 -0.079 0.000 1.216 382 P CA -0.162 62.778 63.100 -0.266 0.000 0.771 382 P CB 1.012 32.491 31.700 -0.367 0.000 0.864 383 Q N 1.958 121.747 119.800 -0.017 0.000 2.235 383 Q HA 0.233 4.563 4.340 -0.017 0.000 0.250 383 Q C 0.644 176.672 176.000 0.047 0.000 0.909 383 Q CA -0.761 55.053 55.803 0.018 0.000 0.910 383 Q CB 1.450 30.159 28.738 -0.049 0.000 1.223 383 Q HN 0.478 nan 8.270 nan 0.000 0.432 384 R N 1.914 122.434 120.500 0.034 0.000 2.640 384 R HA 0.190 4.520 4.340 -0.017 0.000 0.270 384 R C -2.290 174.122 176.300 0.187 0.000 1.024 384 R CA -1.170 54.951 56.100 0.036 0.000 1.085 384 R CB -0.551 29.671 30.300 -0.131 0.000 0.963 384 R HN 0.258 nan 8.270 nan 0.000 0.426 385 P HA 0.013 nan 4.420 nan 0.000 0.271 385 P C -0.906 176.514 177.300 0.200 0.000 1.218 385 P CA -0.498 62.718 63.100 0.193 0.000 0.780 385 P CB 0.690 32.464 31.700 0.124 0.000 0.901 386 L N 5.376 126.648 121.223 0.083 0.000 2.257 386 L HA 0.439 4.769 4.340 -0.017 0.000 0.290 386 L C -2.106 174.781 176.870 0.030 0.000 1.044 386 L CA -2.182 52.612 54.840 -0.077 0.000 0.810 386 L CB 0.309 42.096 42.059 -0.454 0.000 1.193 386 L HN 0.271 nan 8.230 nan 0.000 0.425 387 P HA 0.281 nan 4.420 nan 0.000 0.274 387 P C 0.283 177.645 177.300 0.103 0.000 1.237 387 P CA 0.021 63.181 63.100 0.101 0.000 0.793 387 P CB 0.700 32.472 31.700 0.119 0.000 0.977 388 E N 0.600 120.817 120.200 0.028 0.000 2.152 388 E HA 0.175 4.515 4.350 -0.017 0.000 0.192 388 E C 1.114 177.626 176.600 -0.147 0.000 0.983 388 E CA 1.136 57.507 56.400 -0.049 0.000 0.818 388 E CB -0.261 29.418 29.700 -0.035 0.000 0.758 388 E HN 0.836 nan 8.360 nan 0.000 0.467 389 A N -0.424 122.354 122.820 -0.069 0.000 2.374 389 A HA 0.711 5.021 4.320 -0.017 0.000 0.317 389 A C -1.109 176.535 177.584 0.100 0.000 1.094 389 A CA -0.661 51.312 52.037 -0.107 0.000 0.765 389 A CB 1.052 20.081 19.000 0.048 0.000 1.268 389 A HN 0.167 nan 8.150 nan 0.000 0.438 390 F N 0.610 120.516 119.950 -0.074 0.000 2.415 390 F HA 0.644 5.171 4.527 0.000 0.000 0.348 390 F C 1.151 176.906 175.800 -0.074 0.000 1.119 390 F CA -0.945 56.975 58.000 -0.134 0.000 1.069 390 F CB 1.178 40.041 39.000 -0.230 0.000 1.124 390 F HN 0.779 nan 8.300 nan 0.000 0.472 391 R N 4.391 124.967 120.500 0.126 0.000 2.215 391 R HA 0.717 5.047 4.340 -0.017 0.000 0.336 391 R C -1.254 175.054 176.300 0.013 0.000 0.996 391 R CA -0.514 55.628 56.100 0.069 0.000 0.847 391 R CB -0.025 30.305 30.300 0.051 0.000 1.127 391 R HN 0.772 nan 8.270 nan 0.000 0.465 392 L N 3.565 124.785 121.223 -0.005 0.000 2.298 392 L HA 0.520 4.850 4.340 -0.017 0.000 0.284 392 L C 0.280 177.243 176.870 0.155 0.000 1.013 392 L CA -0.954 53.908 54.840 0.036 0.000 0.824 392 L CB 1.924 43.988 42.059 0.008 0.000 1.221 392 L HN 0.661 nan 8.230 nan 0.000 0.418 393 R N 3.466 124.042 120.500 0.127 0.000 2.491 393 R HA 0.494 4.824 4.340 -0.017 0.000 0.283 393 R C -0.794 175.608 176.300 0.169 0.000 1.072 393 R CA -0.207 55.981 56.100 0.147 0.000 1.048 393 R CB 0.767 31.137 30.300 0.117 0.000 0.983 393 R HN 0.489 nan 8.270 nan 0.000 0.450 394 L N 4.573 125.901 121.223 0.175 0.000 2.334 394 L HA 0.503 4.833 4.340 -0.017 0.000 0.276 394 L C -0.521 176.532 176.870 0.305 0.000 1.014 394 L CA -0.782 54.157 54.840 0.164 0.000 0.815 394 L CB 1.402 43.429 42.059 -0.054 0.000 1.268 394 L HN 0.391 nan 8.230 nan 0.000 0.428 395 L N 3.117 124.501 121.223 0.268 0.000 2.330 395 L HA 0.574 4.904 4.340 -0.017 0.000 0.271 395 L C -2.334 174.710 176.870 0.289 0.000 1.013 395 L CA -2.179 52.803 54.840 0.236 0.000 0.816 395 L CB 1.626 43.771 42.059 0.143 0.000 1.287 395 L HN 0.288 nan 8.230 nan 0.000 0.435 396 P HA 0.062 nan 4.420 nan 0.000 0.265 396 P C -0.257 177.155 177.300 0.187 0.000 1.193 396 P CA 0.042 63.229 63.100 0.144 0.000 0.765 396 P CB 0.639 32.158 31.700 -0.302 0.000 0.823 397 G N 3.450 112.410 108.800 0.266 0.000 2.552 397 G HA2 0.380 4.330 3.960 -0.017 0.000 0.318 397 G HA3 0.380 4.330 3.960 -0.017 0.000 0.318 397 G C -1.788 173.202 174.900 0.150 0.000 1.240 397 G CA -1.381 43.831 45.100 0.185 0.000 1.002 397 G HN 0.239 nan 8.290 nan 0.000 0.493 398 P HA -0.035 nan 4.420 nan 0.000 0.223 398 P C 0.469 177.748 177.300 -0.035 0.000 1.151 398 P CA 0.999 64.063 63.100 -0.060 0.000 0.787 398 P CB 0.428 31.883 31.700 -0.408 0.000 0.788 399 Q N -0.848 118.958 119.800 0.009 0.000 2.241 399 Q HA 0.250 4.580 4.340 -0.017 0.000 0.296 399 Q C -0.243 175.799 176.000 0.070 0.000 0.889 399 Q CA -0.717 55.099 55.803 0.021 0.000 1.089 399 Q CB -0.963 27.768 28.738 -0.011 0.000 1.195 399 Q HN 0.120 nan 8.270 nan 0.000 0.451 400 F N 1.338 121.281 119.950 -0.012 0.000 2.635 400 F HA 0.178 4.695 4.527 -0.018 0.000 0.379 400 F C 0.003 175.803 175.800 0.001 0.000 1.094 400 F CA -0.028 57.973 58.000 0.002 0.000 1.300 400 F CB 0.408 39.393 39.000 -0.025 0.000 1.035 400 F HN 0.165 nan 8.300 nan 0.000 0.581 401 A N 4.930 127.279 122.820 -0.785 0.000 2.398 401 A HA 0.532 4.842 4.320 -0.017 0.000 0.301 401 A C 0.722 177.756 177.584 -0.916 0.000 1.041 401 A CA -0.210 51.468 52.037 -0.598 0.000 0.711 401 A CB 1.038 19.883 19.000 -0.258 0.000 1.240 401 A HN 1.095 nan 8.150 nan 0.000 0.420 402 G N 0.502 108.958 108.800 -0.573 0.000 2.469 402 G HA2 -0.183 3.766 3.960 -0.017 0.000 0.219 402 G HA3 -0.183 3.766 3.960 -0.017 0.000 0.219 402 G C 0.923 175.747 174.900 -0.126 0.000 1.150 402 G CA 1.323 46.261 45.100 -0.271 0.000 0.763 402 G HN 0.715 nan 8.290 nan 0.000 0.561 403 E N 0.786 120.920 120.200 -0.110 0.000 2.150 403 E HA -0.025 4.315 4.350 -0.017 0.000 0.193 403 E C 2.865 179.432 176.600 -0.055 0.000 0.985 403 E CA 0.939 57.310 56.400 -0.049 0.000 0.814 403 E CB -0.456 29.221 29.700 -0.039 0.000 0.752 403 E HN 0.395 nan 8.360 nan 0.000 0.466 404 A N 0.510 123.259 122.820 -0.118 0.000 1.873 404 A HA -0.134 4.176 4.320 -0.017 0.000 0.215 404 A C 2.096 179.631 177.584 -0.082 0.000 1.186 404 A CA 0.948 52.921 52.037 -0.107 0.000 0.616 404 A CB -0.820 18.091 19.000 -0.148 0.000 0.823 404 A HN 0.253 nan 8.150 nan 0.000 0.442 405 F N 0.319 120.115 119.950 -0.258 0.000 2.134 405 F HA -0.157 4.362 4.527 -0.013 0.000 0.299 405 F C 2.449 178.227 175.800 -0.037 0.000 1.097 405 F CA 2.020 59.936 58.000 -0.139 0.000 1.264 405 F CB -0.103 38.853 39.000 -0.074 0.000 1.001 405 F HN 0.182 nan 8.300 nan 0.000 0.479 406 R N 0.181 120.766 120.500 0.141 0.000 2.073 406 R HA -0.168 4.162 4.340 -0.017 0.000 0.234 406 R C 2.379 178.706 176.300 0.044 0.000 1.134 406 R CA 1.366 57.529 56.100 0.104 0.000 0.952 406 R CB -0.643 29.714 30.300 0.095 0.000 0.850 406 R HN 0.346 nan 8.270 nan 0.000 0.433 407 A N 0.964 123.802 122.820 0.030 0.000 1.908 407 A HA -0.149 4.160 4.320 -0.017 0.000 0.218 407 A C 2.189 179.858 177.584 0.142 0.000 1.181 407 A CA 1.285 53.360 52.037 0.063 0.000 0.627 407 A CB -0.576 18.455 19.000 0.052 0.000 0.818 407 A HN 0.355 nan 8.150 nan 0.000 0.445 408 L N -0.973 120.267 121.223 0.028 0.000 2.131 408 L HA -0.219 4.110 4.340 -0.017 0.000 0.210 408 L C 2.083 179.059 176.870 0.176 0.000 1.092 408 L CA 1.030 55.864 54.840 -0.009 0.000 0.759 408 L CB -0.384 41.363 42.059 -0.519 0.000 0.903 408 L HN 0.478 nan 8.230 nan 0.000 0.435 409 C N -1.044 118.270 119.300 0.023 0.000 2.697 409 C HA 0.034 4.484 4.460 -0.017 0.000 0.267 409 C C 2.828 177.899 174.990 0.135 0.000 1.278 409 C CA 0.443 59.514 59.018 0.089 0.000 1.708 409 C CB -1.151 26.580 27.740 -0.015 0.000 1.860 409 C HN 0.624 nan 8.230 nan 0.000 0.589 410 S N 0.200 115.982 115.700 0.136 0.000 2.461 410 S HA 0.346 4.806 4.470 -0.017 0.000 0.228 410 S C 0.816 175.451 174.600 0.058 0.000 1.005 410 S CA 0.833 59.082 58.200 0.082 0.000 0.942 410 S CB 0.138 63.370 63.200 0.053 0.000 0.776 410 S HN 0.663 nan 8.310 nan 0.000 0.514 411 G N 0.814 109.654 108.800 0.067 0.000 2.495 411 G HA2 0.521 4.471 3.960 -0.017 0.000 0.294 411 G HA3 0.521 4.471 3.960 -0.017 0.000 0.294 411 G C -3.527 171.360 174.900 -0.022 0.000 1.397 411 G CA -1.056 44.048 45.100 0.005 0.000 0.790 411 G HN 0.080 nan 8.290 nan 0.000 0.486 412 P HA 0.494 nan 4.420 nan 0.000 0.275 412 P C -1.068 176.054 177.300 -0.296 0.000 1.227 412 P CA -0.055 62.918 63.100 -0.211 0.000 0.781 412 P CB 0.815 32.363 31.700 -0.255 0.000 0.906 413 F N 1.229 121.038 119.950 -0.236 0.000 2.509 413 F HA 0.604 5.118 4.527 -0.021 0.000 0.334 413 F C 1.263 176.936 175.800 -0.212 0.000 1.060 413 F CA -0.560 57.346 58.000 -0.157 0.000 0.997 413 F CB 1.511 40.465 39.000 -0.077 0.000 1.271 413 F HN 0.177 nan 8.300 nan 0.000 0.488 414 R N 0.370 120.896 120.500 0.044 0.000 2.621 414 R HA 0.632 4.962 4.340 -0.017 0.000 0.284 414 R C -1.926 174.369 176.300 -0.009 0.000 0.998 414 R CA -0.717 55.355 56.100 -0.046 0.000 0.895 414 R CB 1.845 32.104 30.300 -0.067 0.000 1.195 414 R HN 0.494 nan 8.270 nan 0.000 0.450 415 V N 4.412 124.294 119.914 -0.054 0.000 2.521 415 V HA 0.112 4.222 4.120 -0.017 0.000 0.286 415 V C 1.037 177.126 176.094 -0.009 0.000 1.034 415 V CA 0.742 63.027 62.300 -0.024 0.000 1.045 415 V CB 0.976 32.771 31.823 -0.046 0.000 0.974 415 V HN 1.045 nan 8.190 nan 0.000 0.480 416 A N 4.760 127.588 122.820 0.013 0.000 1.924 416 A HA 0.588 4.898 4.320 -0.017 0.000 0.211 416 A C 1.317 178.908 177.584 0.011 0.000 1.198 416 A CA 1.161 53.204 52.037 0.010 0.000 0.657 416 A CB 0.040 19.050 19.000 0.017 0.000 0.852 416 A HN 1.005 nan 8.150 nan 0.000 0.454 417 R N -1.185 119.329 120.500 0.023 0.000 2.643 417 R HA 0.753 5.083 4.340 -0.017 0.000 0.269 417 R C -0.937 175.395 176.300 0.054 0.000 1.037 417 R CA -0.076 56.041 56.100 0.028 0.000 0.894 417 R CB 0.478 30.787 30.300 0.015 0.000 1.238 417 R HN 1.716 nan 8.270 nan 0.000 0.459 418 A N 1.986 124.858 122.820 0.087 0.000 2.437 418 A HA 0.816 5.126 4.320 -0.017 0.000 0.293 418 A C -1.425 176.255 177.584 0.161 0.000 1.038 418 A CA 0.078 52.188 52.037 0.122 0.000 0.708 418 A CB 1.401 20.489 19.000 0.147 0.000 1.251 418 A HN 1.320 nan 8.150 nan 0.000 0.409 419 D N 0.720 121.193 120.400 0.121 0.000 3.009 419 D HA 0.316 4.946 4.640 -0.017 0.000 0.318 419 D C 0.517 176.874 176.300 0.094 0.000 1.273 419 D CA -0.648 53.431 54.000 0.131 0.000 1.001 419 D CB 0.269 41.124 40.800 0.091 0.000 1.411 419 D HN 0.237 nan 8.370 nan 0.000 0.577 420 R N -0.572 119.975 120.500 0.079 0.000 2.235 420 R HA 0.118 4.448 4.340 -0.017 0.000 0.213 420 R C 1.752 178.072 176.300 0.034 0.000 1.059 420 R CA 0.601 56.734 56.100 0.056 0.000 0.997 420 R CB -0.220 30.110 30.300 0.049 0.000 0.884 420 R HN 0.227 nan 8.270 nan 0.000 0.462 421 V N -0.316 119.615 119.914 0.029 0.000 2.407 421 V HA 0.074 4.184 4.120 -0.017 0.000 0.245 421 V C 1.199 177.303 176.094 0.017 0.000 1.041 421 V CA 1.581 63.888 62.300 0.011 0.000 1.040 421 V CB 0.084 31.909 31.823 0.003 0.000 0.671 421 V HN 0.564 nan 8.190 nan 0.000 0.455 422 G N -1.470 107.349 108.800 0.032 0.000 2.342 422 G HA2 0.461 4.411 3.960 -0.017 0.000 0.297 422 G HA3 0.461 4.411 3.960 -0.017 0.000 0.297 422 G C -2.043 172.885 174.900 0.047 0.000 1.313 422 G CA -0.274 44.847 45.100 0.036 0.000 0.830 422 G HN -0.048 nan 8.290 nan 0.000 0.506 423 V N 0.781 120.723 119.914 0.047 0.000 2.407 423 V HA 0.511 4.620 4.120 -0.017 0.000 0.291 423 V C 0.008 176.128 176.094 0.044 0.000 1.018 423 V CA -0.610 61.721 62.300 0.052 0.000 0.842 423 V CB 1.338 33.196 31.823 0.059 0.000 0.996 423 V HN 0.790 nan 8.190 nan 0.000 0.426 424 E N 4.745 124.969 120.200 0.041 0.000 2.259 424 E HA 0.579 4.918 4.350 -0.017 0.000 0.281 424 E C -1.322 175.307 176.600 0.048 0.000 1.027 424 E CA -0.466 55.956 56.400 0.038 0.000 0.838 424 E CB 1.087 30.806 29.700 0.032 0.000 1.066 424 E HN 0.588 nan 8.360 nan 0.000 0.401 425 L N 5.068 126.331 121.223 0.067 0.000 2.346 425 L HA 0.479 4.808 4.340 -0.017 0.000 0.274 425 L C -0.560 176.415 176.870 0.175 0.000 1.007 425 L CA -0.959 53.958 54.840 0.128 0.000 0.818 425 L CB 1.400 43.544 42.059 0.141 0.000 1.284 425 L HN 0.478 nan 8.230 nan 0.000 0.424 426 L N 1.964 123.290 121.223 0.172 0.000 2.322 426 L HA 0.908 5.237 4.340 -0.017 0.000 0.281 426 L C 0.354 177.269 176.870 0.076 0.000 1.014 426 L CA -0.206 54.699 54.840 0.108 0.000 0.815 426 L CB 1.762 43.835 42.059 0.024 0.000 1.247 426 L HN 0.846 nan 8.230 nan 0.000 0.421 427 G N 2.732 111.487 108.800 -0.075 0.000 2.336 427 G HA2 0.249 4.199 3.960 -0.017 0.000 0.286 427 G HA3 0.249 4.199 3.960 -0.017 0.000 0.286 427 G C -3.135 171.491 174.900 -0.456 0.000 1.269 427 G CA -0.755 44.023 45.100 -0.536 0.000 0.873 427 G HN 0.321 nan 8.290 nan 0.000 0.494 428 P HA 0.451 nan 4.420 nan 0.000 0.265 428 P C 0.290 177.554 177.300 -0.060 0.000 1.187 428 P CA 0.762 63.689 63.100 -0.289 0.000 0.766 428 P CB 0.058 31.592 31.700 -0.276 0.000 0.820 429 E N 1.694 121.881 120.200 -0.021 0.000 2.415 429 E HA 0.278 4.617 4.350 -0.017 0.000 0.263 429 E C -0.334 176.299 176.600 0.055 0.000 0.995 429 E CA -0.272 56.142 56.400 0.023 0.000 0.915 429 E CB -0.033 29.667 29.700 -0.001 0.000 0.951 429 E HN 0.327 nan 8.360 nan 0.000 0.449 430 V N 5.659 125.614 119.914 0.068 0.000 2.448 430 V HA 0.467 4.577 4.120 -0.017 0.000 0.295 430 V C -2.145 173.946 176.094 -0.004 0.000 1.025 430 V CA -1.682 60.642 62.300 0.041 0.000 0.859 430 V CB 1.696 33.545 31.823 0.042 0.000 0.988 430 V HN 0.845 nan 8.190 nan 0.000 0.431 431 P HA 0.305 nan 4.420 nan 0.000 0.267 431 P C 0.095 177.370 177.300 -0.040 0.000 1.205 431 P CA 0.441 63.524 63.100 -0.029 0.000 0.765 431 P CB 1.192 32.872 31.700 -0.034 0.000 0.828 432 G N 0.889 109.668 108.800 -0.036 0.000 3.209 432 G HA2 0.817 4.767 3.960 -0.017 0.000 0.236 432 G HA3 0.817 4.767 3.960 -0.017 0.000 0.236 432 G C -0.701 174.192 174.900 -0.011 0.000 1.329 432 G CA -0.634 44.445 45.100 -0.035 0.000 1.015 432 G HN 0.751 nan 8.290 nan 0.000 0.571 433 G N -1.678 107.134 108.800 0.020 0.000 2.495 433 G HA2 0.543 4.493 3.960 -0.017 0.000 0.294 433 G HA3 0.543 4.493 3.960 -0.017 0.000 0.294 433 G C -1.970 173.014 174.900 0.140 0.000 1.397 433 G CA -0.325 44.806 45.100 0.052 0.000 0.790 433 G HN 0.669 nan 8.290 nan 0.000 0.486 434 E N -1.191 119.079 120.200 0.117 0.000 2.343 434 E HA 0.646 4.985 4.350 -0.017 0.000 0.278 434 E C -0.234 176.381 176.600 0.024 0.000 0.910 434 E CA -0.448 56.029 56.400 0.130 0.000 0.757 434 E CB 2.136 31.949 29.700 0.188 0.000 1.218 434 E HN 1.116 nan 8.360 nan 0.000 0.435 435 G N 2.090 110.879 108.800 -0.019 0.000 2.815 435 G HA2 0.380 4.330 3.960 -0.017 0.000 0.305 435 G HA3 0.380 4.330 3.960 -0.017 0.000 0.305 435 G C -1.044 173.796 174.900 -0.100 0.000 1.277 435 G CA -0.915 44.147 45.100 -0.062 0.000 0.795 435 G HN 0.482 nan 8.290 nan 0.000 0.528 436 L N 1.160 122.290 121.223 -0.155 0.000 2.506 436 L HA 0.183 4.513 4.340 -0.017 0.000 0.281 436 L C 0.911 177.746 176.870 -0.058 0.000 1.228 436 L CA -0.096 54.602 54.840 -0.236 0.000 0.850 436 L CB 0.829 42.574 42.059 -0.524 0.000 1.110 436 L HN 0.392 nan 8.230 nan 0.000 0.496 437 S N 1.980 117.742 115.700 0.104 0.000 2.549 437 S HA 0.121 4.581 4.470 -0.017 0.000 0.286 437 S C -0.129 174.673 174.600 0.337 0.000 1.314 437 S CA -0.398 57.968 58.200 0.277 0.000 1.062 437 S CB 0.355 63.860 63.200 0.509 0.000 0.865 437 S HN 0.608 nan 8.310 nan 0.000 0.498 438 E N 2.382 122.711 120.200 0.216 0.000 2.392 438 E HA 0.563 4.903 4.350 -0.017 0.000 0.269 438 E C -3.282 173.417 176.600 0.166 0.000 0.924 438 E CA -2.870 53.661 56.400 0.219 0.000 0.784 438 E CB 0.957 30.743 29.700 0.144 0.000 1.292 438 E HN 0.153 nan 8.360 nan 0.000 0.447 439 P HA 0.016 nan 4.420 nan 0.000 0.265 439 P C -0.494 176.759 177.300 -0.077 0.000 1.193 439 P CA 0.119 63.250 63.100 0.052 0.000 0.765 439 P CB 0.420 32.165 31.700 0.075 0.000 0.823 440 T N 1.773 116.260 114.554 -0.112 0.000 2.869 440 T HA 0.445 4.785 4.350 -0.017 0.000 0.295 440 T C -2.354 172.198 174.700 -0.246 0.000 0.987 440 T CA -2.006 60.024 62.100 -0.118 0.000 1.109 440 T CB 0.313 69.143 68.868 -0.063 0.000 0.932 440 T HN 0.197 nan 8.240 nan 0.000 0.518 441 P HA 0.335 nan 4.420 nan 0.000 0.294 441 P C -0.469 176.838 177.300 0.012 0.000 1.294 441 P CA -0.999 62.029 63.100 -0.121 0.000 0.827 441 P CB 0.919 32.623 31.700 0.006 0.000 0.992 442 L N 3.295 124.556 121.223 0.064 0.000 2.513 442 L HA 0.319 4.648 4.340 -0.017 0.000 0.272 442 L C 1.435 178.340 176.870 0.057 0.000 1.187 442 L CA 1.899 56.771 54.840 0.053 0.000 0.895 442 L CB -0.933 41.162 42.059 0.060 0.000 1.147 442 L HN 0.863 nan 8.230 nan 0.000 0.483 443 G N 2.566 111.393 108.800 0.045 0.000 2.176 443 G HA2 -0.219 3.731 3.960 -0.017 0.000 0.253 443 G HA3 -0.219 3.731 3.960 -0.017 0.000 0.253 443 G C 0.630 175.556 174.900 0.044 0.000 0.979 443 G CA 0.002 45.131 45.100 0.048 0.000 0.641 443 G HN 1.231 nan 8.290 nan 0.000 0.530 444 G N -0.396 108.428 108.800 0.039 0.000 2.305 444 G HA2 0.483 4.433 3.960 -0.017 0.000 0.243 444 G HA3 0.483 4.433 3.960 -0.017 0.000 0.243 444 G C 0.267 175.170 174.900 0.005 0.000 1.288 444 G CA 0.452 45.570 45.100 0.031 0.000 0.901 444 G HN 1.047 nan 8.290 nan 0.000 0.516 445 V N 3.870 123.769 119.914 -0.026 0.000 2.304 445 V HA 0.160 4.269 4.120 -0.017 0.000 0.262 445 V C 0.548 176.608 176.094 -0.057 0.000 1.061 445 V CA -0.304 61.947 62.300 -0.081 0.000 0.872 445 V CB 0.664 32.358 31.823 -0.214 0.000 1.077 445 V HN 0.837 nan 8.190 nan 0.000 0.480 446 Q N 3.930 123.716 119.800 -0.023 0.000 2.279 446 Q HA 0.499 4.829 4.340 -0.017 0.000 0.256 446 Q C -1.177 174.804 176.000 -0.031 0.000 0.937 446 Q CA -0.267 55.542 55.803 0.011 0.000 0.933 446 Q CB 1.469 30.245 28.738 0.063 0.000 1.189 446 Q HN 0.604 nan 8.270 nan 0.000 0.417 447 V N 7.766 127.658 119.914 -0.035 0.000 2.398 447 V HA 0.390 4.500 4.120 -0.017 0.000 0.282 447 V C -2.206 173.816 176.094 -0.120 0.000 1.014 447 V CA -1.567 60.683 62.300 -0.083 0.000 0.838 447 V CB 1.144 32.922 31.823 -0.074 0.000 1.018 447 V HN 0.817 nan 8.190 nan 0.000 0.432 448 P HA 0.320 nan 4.420 nan 0.000 0.276 448 P C -2.342 174.836 177.300 -0.203 0.000 1.252 448 P CA -1.755 61.055 63.100 -0.483 0.000 0.802 448 P CB 0.965 32.072 31.700 -0.989 0.000 1.035 449 P HA -0.078 nan 4.420 nan 0.000 0.216 449 P C 0.124 177.391 177.300 -0.054 0.000 1.153 449 P CA 1.729 64.805 63.100 -0.041 0.000 0.858 449 P CB 0.050 31.755 31.700 0.008 0.000 0.789 450 S N -1.158 114.497 115.700 -0.075 0.000 2.647 450 S HA 0.658 5.117 4.470 -0.017 0.000 0.300 450 S C -0.022 174.527 174.600 -0.085 0.000 1.129 450 S CA -0.111 58.056 58.200 -0.055 0.000 1.029 450 S CB 1.827 65.015 63.200 -0.020 0.000 1.007 450 S HN 0.383 nan 8.310 nan 0.000 0.484 451 G N 2.486 111.245 108.800 -0.068 0.000 2.361 451 G HA2 0.133 4.083 3.960 -0.017 0.000 0.331 451 G HA3 0.133 4.083 3.960 -0.017 0.000 0.331 451 G C -1.752 173.116 174.900 -0.053 0.000 1.324 451 G CA -1.209 43.850 45.100 -0.068 0.000 0.984 451 G HN 0.638 nan 8.290 nan 0.000 0.586 452 R N 0.629 121.109 120.500 -0.034 0.000 2.441 452 R HA 0.479 4.808 4.340 -0.017 0.000 0.284 452 R C -2.297 173.991 176.300 -0.020 0.000 1.070 452 R CA -1.246 54.854 56.100 0.001 0.000 1.047 452 R CB 0.704 31.017 30.300 0.021 0.000 1.016 452 R HN 0.291 nan 8.270 nan 0.000 0.477 453 P HA -0.021 nan 4.420 nan 0.000 0.268 453 P C -1.176 176.112 177.300 -0.020 0.000 1.205 453 P CA -0.127 62.950 63.100 -0.039 0.000 0.771 453 P CB 0.520 32.171 31.700 -0.082 0.000 0.858 454 L N 4.247 125.457 121.223 -0.021 0.000 2.406 454 L HA 0.365 4.695 4.340 -0.017 0.000 0.272 454 L C -1.130 175.744 176.870 0.006 0.000 0.980 454 L CA -0.663 54.180 54.840 0.006 0.000 0.831 454 L CB 1.863 43.934 42.059 0.020 0.000 1.253 454 L HN 0.020 nan 8.230 nan 0.000 0.406 455 V N 6.266 126.192 119.914 0.021 0.000 2.432 455 V HA 0.288 4.397 4.120 -0.017 0.000 0.271 455 V C 0.362 176.473 176.094 0.028 0.000 1.046 455 V CA -0.422 61.894 62.300 0.027 0.000 0.945 455 V CB 0.905 32.763 31.823 0.058 0.000 0.992 455 V HN 0.589 nan 8.190 nan 0.000 0.471 456 L N 6.621 127.858 121.223 0.023 0.000 2.319 456 L HA 0.485 4.815 4.340 -0.017 0.000 0.280 456 L C 0.007 176.889 176.870 0.019 0.000 1.099 456 L CA 0.102 54.952 54.840 0.017 0.000 0.828 456 L CB 0.588 42.653 42.059 0.010 0.000 1.150 456 L HN 0.492 nan 8.230 nan 0.000 0.442 457 L N 1.627 122.860 121.223 0.017 0.000 2.343 457 L HA 0.551 4.880 4.340 -0.017 0.000 0.264 457 L C 1.506 178.381 176.870 0.008 0.000 1.050 457 L CA -0.655 54.197 54.840 0.020 0.000 0.956 457 L CB 0.861 42.938 42.059 0.030 0.000 1.576 457 L HN 0.644 nan 8.230 nan 0.000 0.521 458 A N -0.636 122.190 122.820 0.011 0.000 1.986 458 A HA -0.177 4.132 4.320 -0.017 0.000 0.220 458 A C 1.192 178.762 177.584 -0.024 0.000 1.171 458 A CA 1.962 53.994 52.037 -0.008 0.000 0.640 458 A CB -0.531 18.469 19.000 -0.001 0.000 0.811 458 A HN 0.757 nan 8.150 nan 0.000 0.451 459 D N -0.380 120.011 120.400 -0.015 0.000 2.342 459 D HA 0.090 4.719 4.640 -0.017 0.000 0.221 459 D C 0.411 176.685 176.300 -0.044 0.000 1.101 459 D CA 0.020 54.003 54.000 -0.028 0.000 0.837 459 D CB -0.013 40.780 40.800 -0.012 0.000 0.938 459 D HN 0.712 nan 8.370 nan 0.000 0.508 460 K N 0.102 120.477 120.400 -0.043 0.000 2.518 460 K HA 0.215 4.525 4.320 -0.017 0.000 0.276 460 K C 0.789 177.325 176.600 -0.106 0.000 0.974 460 K CA -0.212 56.038 56.287 -0.062 0.000 0.986 460 K CB 0.503 32.977 32.500 -0.044 0.000 0.901 460 K HN -0.100 nan 8.250 nan 0.000 0.497 461 G N 1.380 110.082 108.800 -0.164 0.000 2.554 461 G HA2 -0.002 3.948 3.960 -0.017 0.000 0.238 461 G HA3 -0.002 3.948 3.960 -0.017 0.000 0.238 461 G C 0.391 175.175 174.900 -0.194 0.000 1.259 461 G CA -0.701 44.247 45.100 -0.253 0.000 0.843 461 G HN 0.672 nan 8.290 nan 0.000 0.582 462 S N 0.190 115.776 115.700 -0.190 0.000 2.453 462 S HA 0.082 4.541 4.470 -0.017 0.000 0.231 462 S C 0.830 175.378 174.600 -0.086 0.000 1.005 462 S CA 0.496 58.625 58.200 -0.118 0.000 0.949 462 S CB -0.194 62.939 63.200 -0.112 0.000 0.774 462 S HN 0.359 nan 8.310 nan 0.000 0.510 463 L N 0.083 121.239 121.223 -0.110 0.000 2.370 463 L HA 0.764 5.093 4.340 -0.017 0.000 0.266 463 L C -0.107 176.797 176.870 0.057 0.000 1.002 463 L CA -0.697 54.151 54.840 0.014 0.000 0.818 463 L CB 2.257 44.363 42.059 0.079 0.000 1.325 463 L HN 0.132 nan 8.230 nan 0.000 0.418 464 G N -0.239 108.636 108.800 0.125 0.000 2.759 464 G HA2 0.456 4.405 3.960 -0.017 0.000 0.297 464 G HA3 0.456 4.405 3.960 -0.017 0.000 0.297 464 G C 0.037 174.984 174.900 0.078 0.000 1.434 464 G CA 0.019 45.196 45.100 0.128 0.000 0.980 464 G HN 0.718 nan 8.290 nan 0.000 0.531 465 G N -0.489 108.291 108.800 -0.033 0.000 2.838 465 G HA2 0.253 4.203 3.960 -0.017 0.000 0.210 465 G HA3 0.253 4.203 3.960 -0.017 0.000 0.210 465 G C 0.131 174.982 174.900 -0.082 0.000 1.153 465 G CA 0.145 45.189 45.100 -0.094 0.000 0.778 465 G HN 0.434 nan 8.290 nan 0.000 0.539 466 Y N 0.938 121.273 120.300 0.058 0.000 2.336 466 Y HA 0.519 5.060 4.550 -0.016 0.000 0.331 466 Y C 0.925 176.828 175.900 0.005 0.000 1.211 466 Y CA -1.419 56.698 58.100 0.029 0.000 1.346 466 Y CB 0.723 39.203 38.460 0.035 0.000 1.271 466 Y HN 0.121 nan 8.280 nan 0.000 0.538 467 A N 2.871 125.798 122.820 0.177 0.000 2.462 467 A HA 0.364 4.674 4.320 -0.017 0.000 0.243 467 A C -0.242 177.369 177.584 0.046 0.000 1.076 467 A CA -0.538 51.539 52.037 0.068 0.000 0.773 467 A CB -0.127 18.894 19.000 0.034 0.000 1.010 467 A HN 0.718 nan 8.150 nan 0.000 0.493 468 K N 3.472 123.883 120.400 0.018 0.000 2.484 468 K HA 0.322 4.632 4.320 -0.017 0.000 0.226 468 K C -2.199 174.415 176.600 0.023 0.000 1.031 468 K CA -1.524 54.771 56.287 0.014 0.000 1.026 468 K CB 1.743 34.255 32.500 0.021 0.000 1.412 468 K HN 0.433 nan 8.250 nan 0.000 0.492 469 P HA -0.050 nan 4.420 nan 0.000 0.229 469 P C -0.359 177.027 177.300 0.144 0.000 1.160 469 P CA 0.548 63.664 63.100 0.028 0.000 0.777 469 P CB 0.558 32.217 31.700 -0.069 0.000 0.814 470 A N -0.630 122.242 122.820 0.087 0.000 2.569 470 A HA 0.744 5.054 4.320 -0.017 0.000 0.290 470 A C -1.513 176.110 177.584 0.066 0.000 1.136 470 A CA -0.672 51.448 52.037 0.138 0.000 0.710 470 A CB 0.937 19.956 19.000 0.031 0.000 1.303 470 A HN -0.028 nan 8.150 nan 0.000 0.413 471 L N 0.636 121.918 121.223 0.098 0.000 2.408 471 L HA 0.522 4.851 4.340 -0.017 0.000 0.268 471 L C -0.676 176.238 176.870 0.073 0.000 0.986 471 L CA -1.159 53.728 54.840 0.079 0.000 0.820 471 L CB 1.952 44.080 42.059 0.116 0.000 1.303 471 L HN 0.437 nan 8.230 nan 0.000 0.411 472 V N 1.440 121.393 119.914 0.064 0.000 2.572 472 V HA -0.019 4.091 4.120 -0.017 0.000 0.291 472 V C 0.476 176.624 176.094 0.089 0.000 1.039 472 V CA -0.143 62.214 62.300 0.094 0.000 1.055 472 V CB 0.987 32.871 31.823 0.102 0.000 0.969 472 V HN 0.725 nan 8.190 nan 0.000 0.482 473 D N 7.935 128.394 120.400 0.097 0.000 2.531 473 D HA -0.010 4.620 4.640 -0.017 0.000 0.239 473 D C -1.194 175.151 176.300 0.075 0.000 1.144 473 D CA -1.077 52.976 54.000 0.088 0.000 0.869 473 D CB 1.704 42.559 40.800 0.092 0.000 1.160 473 D HN 0.300 nan 8.370 nan 0.000 0.484 474 P HA -0.156 nan 4.420 nan 0.000 0.218 474 P C 1.040 178.394 177.300 0.091 0.000 1.146 474 P CA 1.008 64.148 63.100 0.066 0.000 0.813 474 P CB 0.175 31.900 31.700 0.042 0.000 0.778 475 R N -0.357 120.201 120.500 0.096 0.000 2.241 475 R HA -0.069 4.261 4.340 -0.017 0.000 0.224 475 R C 1.011 177.448 176.300 0.227 0.000 1.101 475 R CA 1.046 57.229 56.100 0.137 0.000 0.995 475 R CB -0.354 30.010 30.300 0.107 0.000 0.870 475 R HN 0.241 nan 8.270 nan 0.000 0.463 476 D N -0.314 120.162 120.400 0.127 0.000 2.398 476 D HA 0.066 4.696 4.640 -0.017 0.000 0.210 476 D C 1.496 177.706 176.300 -0.150 0.000 1.094 476 D CA 0.110 54.103 54.000 -0.011 0.000 0.839 476 D CB 0.382 41.154 40.800 -0.047 0.000 0.963 476 D HN 0.143 nan 8.370 nan 0.000 0.506 477 L N 1.054 122.279 121.223 0.004 0.000 2.131 477 L HA -0.091 4.239 4.340 -0.017 0.000 0.210 477 L C 2.604 179.442 176.870 -0.053 0.000 1.092 477 L CA 0.804 55.631 54.840 -0.021 0.000 0.759 477 L CB -0.454 41.635 42.059 0.050 0.000 0.903 477 L HN 0.307 nan 8.230 nan 0.000 0.435 478 W N 0.488 121.740 121.300 -0.081 0.000 2.350 478 W HA -0.197 4.455 4.660 -0.013 0.000 0.289 478 W C 1.677 178.095 176.519 -0.169 0.000 1.215 478 W CA 0.635 57.929 57.345 -0.085 0.000 1.236 478 W CB -1.194 28.227 29.460 -0.065 0.000 1.130 478 W HN 0.154 nan 8.180 nan 0.000 0.541 479 L N 1.013 121.440 121.223 -1.327 0.000 2.046 479 L HA -0.221 4.108 4.340 -0.017 0.000 0.208 479 L C 2.851 179.204 176.870 -0.863 0.000 1.077 479 L CA 1.325 55.204 54.840 -1.601 0.000 0.747 479 L CB -0.875 40.011 42.059 -1.954 0.000 0.896 479 L HN -0.058 nan 8.230 nan 0.000 0.432 480 L N -0.604 120.349 121.223 -0.451 0.000 2.291 480 L HA -0.054 4.275 4.340 -0.017 0.000 0.214 480 L C 2.505 179.352 176.870 -0.038 0.000 1.120 480 L CA 0.768 55.532 54.840 -0.127 0.000 0.799 480 L CB -0.943 41.082 42.059 -0.057 0.000 0.925 480 L HN 0.311 nan 8.230 nan 0.000 0.446 481 G N -0.877 107.896 108.800 -0.046 0.000 2.535 481 G HA2 -0.171 3.779 3.960 -0.017 0.000 0.218 481 G HA3 -0.171 3.779 3.960 -0.017 0.000 0.218 481 G C 1.347 176.270 174.900 0.039 0.000 1.122 481 G CA 0.289 45.415 45.100 0.043 0.000 0.769 481 G HN 0.297 nan 8.290 nan 0.000 0.549 482 Q N -0.273 119.519 119.800 -0.012 0.000 2.159 482 Q HA 0.397 4.726 4.340 -0.017 0.000 0.217 482 Q C 0.710 176.771 176.000 0.102 0.000 0.818 482 Q CA -0.199 55.614 55.803 0.017 0.000 1.008 482 Q CB 1.015 29.730 28.738 -0.038 0.000 1.148 482 Q HN 0.366 nan 8.270 nan 0.000 0.491 483 A N 2.236 125.141 122.820 0.142 0.000 2.407 483 A HA 0.479 4.789 4.320 -0.017 0.000 0.248 483 A C 0.382 178.010 177.584 0.072 0.000 1.082 483 A CA -0.056 52.084 52.037 0.172 0.000 0.785 483 A CB 0.297 19.399 19.000 0.169 0.000 1.020 483 A HN 0.343 nan 8.150 nan 0.000 0.489 484 R N 0.984 121.500 120.500 0.027 0.000 2.739 484 R HA 0.606 4.936 4.340 -0.017 0.000 0.271 484 R C -3.330 172.987 176.300 0.028 0.000 1.010 484 R CA -2.137 54.017 56.100 0.091 0.000 0.897 484 R CB 0.543 30.891 30.300 0.080 0.000 1.236 484 R HN 0.312 nan 8.270 nan 0.000 0.466 485 P HA 0.011 nan 4.420 nan 0.000 0.262 485 P C 0.572 177.852 177.300 -0.034 0.000 1.182 485 P CA 1.808 64.912 63.100 0.006 0.000 0.761 485 P CB 0.590 32.298 31.700 0.014 0.000 0.795 486 G N 1.207 109.970 108.800 -0.061 0.000 2.234 486 G HA2 -0.226 3.724 3.960 -0.017 0.000 0.235 486 G HA3 -0.226 3.724 3.960 -0.017 0.000 0.235 486 G C 0.129 174.945 174.900 -0.140 0.000 0.997 486 G CA -0.172 44.877 45.100 -0.084 0.000 0.623 486 G HN 0.539 nan 8.290 nan 0.000 0.514 487 V N 2.556 122.351 119.914 -0.198 0.000 2.599 487 V HA 0.276 4.386 4.120 -0.017 0.000 0.300 487 V C 0.690 176.587 176.094 -0.327 0.000 1.034 487 V CA 0.057 62.149 62.300 -0.346 0.000 1.115 487 V CB 1.311 32.784 31.823 -0.583 0.000 0.934 487 V HN 0.339 nan 8.190 nan 0.000 0.485 488 E N 4.677 124.682 120.200 -0.325 0.000 2.313 488 E HA 0.451 4.791 4.350 -0.017 0.000 0.276 488 E C -0.567 175.800 176.600 -0.388 0.000 1.031 488 E CA -0.176 56.038 56.400 -0.309 0.000 0.857 488 E CB 1.945 31.507 29.700 -0.229 0.000 1.040 488 E HN 0.488 nan 8.360 nan 0.000 0.408 489 I N 3.252 123.566 120.570 -0.427 0.000 2.465 489 I HA 0.176 4.335 4.170 -0.017 0.000 0.291 489 I C -0.240 175.516 176.117 -0.602 0.000 1.014 489 I CA -0.594 60.439 61.300 -0.445 0.000 1.093 489 I CB 1.260 38.987 38.000 -0.455 0.000 1.267 489 I HN 0.269 nan 8.210 nan 0.000 0.431 490 H N 6.557 125.472 119.070 -0.259 0.000 2.646 490 H HA 0.347 4.880 4.556 -0.038 0.000 0.328 490 H C -1.089 174.116 175.328 -0.204 0.000 0.998 490 H CA -0.525 55.434 56.048 -0.149 0.000 1.225 490 H CB 1.290 31.019 29.762 -0.055 0.000 1.457 490 H HN 0.279 nan 8.280 nan 0.000 0.505 491 F N 2.084 122.093 119.950 0.098 0.000 2.396 491 F HA 0.273 4.796 4.527 -0.006 0.000 0.343 491 F C 1.226 177.028 175.800 0.003 0.000 1.104 491 F CA -0.311 57.686 58.000 -0.005 0.000 1.161 491 F CB 1.601 40.527 39.000 -0.124 0.000 1.146 491 F HN 0.388 nan 8.300 nan 0.000 0.522 492 T N -1.096 113.579 114.554 0.202 0.000 2.896 492 T HA 0.673 5.013 4.350 -0.017 0.000 0.297 492 T C -0.250 174.538 174.700 0.146 0.000 1.108 492 T CA -0.852 61.331 62.100 0.137 0.000 1.004 492 T CB 1.372 70.311 68.868 0.118 0.000 1.159 492 T HN 0.595 nan 8.240 nan 0.000 0.499 493 S N 0.000 115.810 115.700 0.184 0.000 2.498 493 S HA 0.000 4.460 4.470 -0.017 0.000 0.327 493 S CA 0.000 58.366 58.200 0.276 0.000 1.107 493 S CB 0.000 63.403 63.200 0.339 0.000 0.593 493 S HN 0.000 nan 8.310 nan 0.000 0.517