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 2jgp_1_A DATA FIRST_RESID 3 DATA SEQUENCE RSEYVAPRSV WEARLAQVWE QVLNVPQVGA LDDFFALGGH SLRAMRVLSS DATA SEQUENCE MHNEYQVDIP LRILFEKPTI QELAAFIEET AKGNVFSIEP VQKQAYYPVS DATA SEQUENCE SAQKRMYILD QFEGVGISYN MPSTMLIEGK LERTRVEAAF QRLIARHESL DATA SEQUENCE RTSFAVVNGE PVQNIHEDVP FALAYSEVTE EEARELVSSL VQPFDLEVAP DATA SEQUENCE LIRVSLLKIG EDRYVLFTDM HHSISDGVSS GILLAEWVQL YQGDVLPELR DATA SEQUENCE IQYKDFAVWQ QEFSQSAAFH KQEAYWLQTF ADDIPVLNLP TDFTRPSTQS DATA SEQUENCE FAGDQCTIGA GKALTEGLHQ LAQATGTTLY MVLLAAYNVL LAKYAGQEDI DATA SEQUENCE IVGTPITGRS HADLEPIVGM FVNTLAMRNK PQREKTFSEF LQEVKQNALD DATA SEQUENCE AYGHQDYPFE ELVEKLAIAR DLSRNPLFDT VFTFQNSTEE VMTLPECTLA DATA SEQUENCE PFMTDETGQH AKFDLTFSAT EEREEMTIGV EYSTSLFTRE TMERFSRHFL DATA SEQUENCE TIAASIVQNP HIRLGEIDML 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.338 176.300 0.064 0.000 0.893 3 R CA 0.000 56.132 56.100 0.053 0.000 0.921 3 R CB 0.000 30.329 30.300 0.049 0.000 0.687 4 S N 1.191 116.939 115.700 0.080 0.000 2.593 4 S HA 0.051 4.521 4.470 0.001 0.000 0.269 4 S C 0.319 174.974 174.600 0.091 0.000 1.334 4 S CA -0.459 57.788 58.200 0.079 0.000 1.015 4 S CB 0.783 64.033 63.200 0.084 0.000 0.912 4 S HN 0.494 nan 8.310 nan 0.000 0.541 5 E N 0.662 120.907 120.200 0.076 0.000 2.502 5 E HA -0.138 4.213 4.350 0.001 0.000 0.261 5 E C -1.041 175.628 176.600 0.115 0.000 0.974 5 E CA -0.003 56.449 56.400 0.086 0.000 0.936 5 E CB 0.266 29.998 29.700 0.053 0.000 0.926 5 E HN 0.548 nan 8.360 nan 0.000 0.459 6 Y N 4.628 124.940 120.300 0.020 0.000 2.436 6 Y HA 0.287 4.838 4.550 0.001 0.000 0.336 6 Y C -0.953 174.954 175.900 0.012 0.000 1.049 6 Y CA -0.377 57.733 58.100 0.016 0.000 1.294 6 Y CB 0.702 39.171 38.460 0.016 0.000 1.179 6 Y HN 0.221 nan 8.280 nan 0.000 0.520 7 V N 7.035 126.568 119.914 -0.635 0.000 2.407 7 V HA 0.597 4.717 4.120 0.001 0.000 0.291 7 V C 0.019 175.567 176.094 -0.910 0.000 1.018 7 V CA -0.982 60.962 62.300 -0.593 0.000 0.842 7 V CB 0.962 32.622 31.823 -0.271 0.000 0.996 7 V HN 1.026 nan 8.190 nan 0.000 0.426 8 A N 7.329 129.666 122.820 -0.806 0.000 2.445 8 A HA 0.575 4.896 4.320 0.001 0.000 0.242 8 A C -2.310 175.132 177.584 -0.238 0.000 1.075 8 A CA -0.953 50.797 52.037 -0.478 0.000 0.777 8 A CB -0.290 18.653 19.000 -0.095 0.000 1.013 8 A HN 0.668 nan 8.150 nan 0.000 0.493 9 P HA 0.072 nan 4.420 nan 0.000 0.263 9 P C 0.086 177.332 177.300 -0.089 0.000 1.175 9 P CA 0.509 63.547 63.100 -0.104 0.000 0.761 9 P CB 0.324 31.988 31.700 -0.060 0.000 0.794 10 R N 0.623 121.060 120.500 -0.105 0.000 2.476 10 R HA 0.218 4.559 4.340 0.001 0.000 0.276 10 R C 0.414 176.639 176.300 -0.126 0.000 0.941 10 R CA 0.062 56.099 56.100 -0.105 0.000 1.088 10 R CB 0.384 30.624 30.300 -0.099 0.000 1.216 10 R HN 0.579 nan 8.270 nan 0.000 0.533 11 S N -1.999 113.624 115.700 -0.128 0.000 2.638 11 S HA 0.182 4.652 4.470 0.001 0.000 0.274 11 S C 0.569 175.061 174.600 -0.179 0.000 1.157 11 S CA -0.841 57.269 58.200 -0.150 0.000 0.826 11 S CB 1.626 64.760 63.200 -0.109 0.000 1.139 11 S HN -0.168 nan 8.310 nan 0.000 0.474 12 V N 0.514 120.273 119.914 -0.258 0.000 2.343 12 V HA -0.076 4.044 4.120 0.001 0.000 0.247 12 V C 1.577 177.369 176.094 -0.503 0.000 1.051 12 V CA 1.816 63.873 62.300 -0.406 0.000 1.036 12 V CB -0.776 30.717 31.823 -0.551 0.000 0.654 12 V HN 0.870 nan 8.190 nan 0.000 0.451 13 W N 0.095 121.239 121.300 -0.259 0.000 2.436 13 W HA -0.018 4.643 4.660 0.002 0.000 0.284 13 W C 2.542 178.909 176.519 -0.254 0.000 1.225 13 W CA 1.055 58.227 57.345 -0.287 0.000 1.271 13 W CB -0.064 29.256 29.460 -0.234 0.000 1.114 13 W HN 0.250 nan 8.180 nan 0.000 0.559 14 E N 0.257 120.441 120.200 -0.026 0.000 2.077 14 E HA -0.204 4.146 4.350 0.001 0.000 0.193 14 E C 2.326 178.842 176.600 -0.140 0.000 0.989 14 E CA 1.271 57.606 56.400 -0.108 0.000 0.800 14 E CB -0.376 29.256 29.700 -0.114 0.000 0.746 14 E HN 0.242 nan 8.360 nan 0.000 0.452 15 A N 1.510 124.250 122.820 -0.133 0.000 1.877 15 A HA -0.195 4.126 4.320 0.001 0.000 0.216 15 A C 2.081 179.584 177.584 -0.135 0.000 1.186 15 A CA 1.346 53.315 52.037 -0.113 0.000 0.620 15 A CB -0.394 18.555 19.000 -0.086 0.000 0.822 15 A HN 0.069 nan 8.150 nan 0.000 0.443 16 R N -0.655 119.709 120.500 -0.227 0.000 2.073 16 R HA -0.059 4.282 4.340 0.001 0.000 0.234 16 R C 2.134 178.400 176.300 -0.057 0.000 1.134 16 R CA 1.559 57.512 56.100 -0.246 0.000 0.952 16 R CB -0.556 29.321 30.300 -0.705 0.000 0.850 16 R HN 0.497 nan 8.270 nan 0.000 0.433 17 L N 0.067 121.242 121.223 -0.080 0.000 2.017 17 L HA -0.171 4.170 4.340 0.001 0.000 0.208 17 L C 2.698 179.407 176.870 -0.268 0.000 1.073 17 L CA 1.304 56.064 54.840 -0.135 0.000 0.745 17 L CB -0.562 41.334 42.059 -0.273 0.000 0.894 17 L HN 0.273 nan 8.230 nan 0.000 0.432 18 A N -0.572 122.081 122.820 -0.277 0.000 1.908 18 A HA -0.286 4.035 4.320 0.001 0.000 0.218 18 A C 2.281 179.871 177.584 0.011 0.000 1.181 18 A CA 1.936 53.854 52.037 -0.197 0.000 0.627 18 A CB -0.677 18.250 19.000 -0.122 0.000 0.818 18 A HN 0.526 nan 8.150 nan 0.000 0.445 19 Q N 0.243 120.062 119.800 0.031 0.000 2.061 19 Q HA -0.149 4.191 4.340 0.001 0.000 0.204 19 Q C 2.036 178.132 176.000 0.160 0.000 0.984 19 Q CA 2.446 58.303 55.803 0.090 0.000 0.846 19 Q CB -0.479 28.307 28.738 0.081 0.000 0.902 19 Q HN 0.387 nan 8.270 nan 0.000 0.421 20 V N 0.169 120.209 119.914 0.210 0.000 2.343 20 V HA -0.237 3.884 4.120 0.001 0.000 0.247 20 V C 2.139 178.461 176.094 0.381 0.000 1.051 20 V CA 1.891 64.363 62.300 0.285 0.000 1.036 20 V CB -0.890 31.134 31.823 0.334 0.000 0.654 20 V HN 0.407 nan 8.190 nan 0.000 0.451 21 W N 0.713 122.080 121.300 0.112 0.000 2.358 21 W HA -0.100 4.561 4.660 0.001 0.000 0.303 21 W C 2.516 179.088 176.519 0.088 0.000 1.208 21 W CA 1.190 58.618 57.345 0.138 0.000 1.274 21 W CB -0.945 28.604 29.460 0.148 0.000 1.138 21 W HN 0.332 nan 8.180 nan 0.000 0.515 22 E N -0.456 119.926 120.200 0.304 0.000 2.085 22 E HA -0.248 4.103 4.350 0.001 0.000 0.194 22 E C 2.178 178.851 176.600 0.122 0.000 0.994 22 E CA 1.422 57.923 56.400 0.168 0.000 0.801 22 E CB -0.274 29.497 29.700 0.119 0.000 0.743 22 E HN 0.193 nan 8.360 nan 0.000 0.453 23 Q N 0.199 120.079 119.800 0.132 0.000 2.046 23 Q HA -0.107 4.234 4.340 0.001 0.000 0.200 23 Q C 2.470 178.524 176.000 0.090 0.000 0.975 23 Q CA 1.006 56.868 55.803 0.098 0.000 0.836 23 Q CB -0.463 28.337 28.738 0.102 0.000 0.896 23 Q HN 0.217 nan 8.270 nan 0.000 0.428 24 V N 1.054 121.040 119.914 0.120 0.000 2.358 24 V HA -0.193 3.927 4.120 0.001 0.000 0.246 24 V C 2.315 178.437 176.094 0.047 0.000 1.047 24 V CA 1.331 63.688 62.300 0.094 0.000 1.035 24 V CB -0.440 31.459 31.823 0.127 0.000 0.658 24 V HN 0.244 nan 8.190 nan 0.000 0.452 25 L N -0.071 121.170 121.223 0.030 0.000 2.418 25 L HA 0.124 4.465 4.340 0.001 0.000 0.218 25 L C 1.172 178.025 176.870 -0.028 0.000 1.125 25 L CA 0.543 55.346 54.840 -0.061 0.000 0.835 25 L CB -0.470 41.502 42.059 -0.145 0.000 0.953 25 L HN 0.543 nan 8.230 nan 0.000 0.454 26 N N 0.506 119.214 118.700 0.012 0.000 2.725 26 N HA -0.177 4.564 4.740 0.001 0.000 0.251 26 N C -1.208 174.303 175.510 0.003 0.000 1.031 26 N CA 0.331 53.387 53.050 0.011 0.000 0.720 26 N CB -1.065 37.424 38.487 0.003 0.000 0.930 26 N HN 0.041 nan 8.380 nan 0.000 0.543 27 V N 1.267 121.190 119.914 0.016 0.000 2.656 27 V HA 0.672 4.793 4.120 0.001 0.000 0.307 27 V C -1.948 174.164 176.094 0.029 0.000 1.051 27 V CA -1.191 61.117 62.300 0.012 0.000 0.893 27 V CB 2.212 34.038 31.823 0.004 0.000 0.999 27 V HN 0.182 nan 8.190 nan 0.000 0.426 28 P HA 0.249 nan 4.420 nan 0.000 0.282 28 P C -0.380 176.910 177.300 -0.017 0.000 1.259 28 P CA -0.416 62.681 63.100 -0.005 0.000 0.826 28 P CB 0.892 32.575 31.700 -0.029 0.000 1.064 29 Q N -0.627 119.151 119.800 -0.037 0.000 2.470 29 Q HA -0.109 4.232 4.340 0.001 0.000 0.294 29 Q C -1.111 174.918 176.000 0.047 0.000 1.356 29 Q CA -0.109 55.626 55.803 -0.112 0.000 0.805 29 Q CB -1.255 27.291 28.738 -0.321 0.000 1.157 29 Q HN 0.258 nan 8.270 nan 0.000 0.431 30 V N 0.783 120.781 119.914 0.141 0.000 2.521 30 V HA 0.480 4.601 4.120 0.001 0.000 0.286 30 V C 1.202 177.446 176.094 0.249 0.000 1.034 30 V CA 0.922 63.340 62.300 0.198 0.000 1.045 30 V CB 1.226 33.161 31.823 0.186 0.000 0.974 30 V HN 0.444 nan 8.190 nan 0.000 0.480 31 G N 2.829 111.770 108.800 0.235 0.000 2.735 31 G HA2 0.570 4.531 3.960 0.001 0.000 0.301 31 G HA3 0.570 4.531 3.960 0.001 0.000 0.301 31 G C 0.828 175.665 174.900 -0.104 0.000 1.279 31 G CA -0.064 45.044 45.100 0.013 0.000 1.019 31 G HN 0.841 nan 8.290 nan 0.000 0.497 32 A N -0.819 121.888 122.820 -0.188 0.000 2.019 32 A HA 0.062 4.383 4.320 0.001 0.000 0.219 32 A C 2.035 179.565 177.584 -0.089 0.000 1.164 32 A CA 1.061 53.006 52.037 -0.154 0.000 0.644 32 A CB -0.373 18.535 19.000 -0.154 0.000 0.805 32 A HN 0.431 nan 8.150 nan 0.000 0.449 33 L N -0.410 120.783 121.223 -0.051 0.000 2.592 33 L HA 0.096 4.436 4.340 0.001 0.000 0.227 33 L C -0.252 176.662 176.870 0.073 0.000 1.127 33 L CA -0.365 54.480 54.840 0.010 0.000 0.884 33 L CB -0.235 41.829 42.059 0.009 0.000 1.065 33 L HN 0.170 nan 8.230 nan 0.000 0.457 34 D N 1.583 122.041 120.400 0.096 0.000 2.424 34 D HA 0.005 4.646 4.640 0.001 0.000 0.244 34 D C -0.334 176.165 176.300 0.332 0.000 1.134 34 D CA 0.533 54.652 54.000 0.198 0.000 0.881 34 D CB 1.323 42.265 40.800 0.237 0.000 1.191 34 D HN 0.022 nan 8.370 nan 0.000 0.445 35 D N 2.131 122.709 120.400 0.297 0.000 2.256 35 D HA -0.001 4.640 4.640 0.001 0.000 0.240 35 D C 0.738 177.155 176.300 0.194 0.000 1.062 35 D CA -0.637 53.553 54.000 0.318 0.000 0.832 35 D CB 0.927 41.864 40.800 0.228 0.000 1.135 35 D HN 0.174 nan 8.370 nan 0.000 0.484 36 F N 3.728 123.573 119.950 -0.175 0.000 2.120 36 F HA -0.193 4.335 4.527 0.002 0.000 0.300 36 F C 1.204 176.576 175.800 -0.714 0.000 1.095 36 F CA 1.631 59.102 58.000 -0.882 0.000 1.249 36 F CB -0.095 37.972 39.000 -1.556 0.000 0.995 36 F HN 0.380 nan 8.300 nan 0.000 0.480 37 F N -0.409 119.453 119.950 -0.147 0.000 2.335 37 F HA 0.135 4.663 4.527 0.001 0.000 0.296 37 F C 2.465 178.137 175.800 -0.213 0.000 1.091 37 F CA 0.702 58.569 58.000 -0.221 0.000 1.399 37 F CB -1.269 37.703 39.000 -0.047 0.000 1.067 37 F HN -0.010 nan 8.300 nan 0.000 0.520 38 A N 0.384 123.233 122.820 0.048 0.000 1.972 38 A HA -0.099 4.221 4.320 0.001 0.000 0.219 38 A C 2.062 179.607 177.584 -0.065 0.000 1.169 38 A CA 1.198 53.243 52.037 0.013 0.000 0.635 38 A CB -1.037 18.000 19.000 0.062 0.000 0.810 38 A HN 0.419 nan 8.150 nan 0.000 0.446 39 L N -1.484 119.651 121.223 -0.146 0.000 2.610 39 L HA 0.118 4.458 4.340 0.001 0.000 0.232 39 L C 1.702 178.412 176.870 -0.266 0.000 1.149 39 L CA 0.647 55.378 54.840 -0.181 0.000 0.872 39 L CB -0.169 41.779 42.059 -0.186 0.000 0.992 39 L HN 0.622 nan 8.230 nan 0.000 0.447 40 G N -0.778 107.823 108.800 -0.332 0.000 2.184 40 G HA2 -0.188 3.773 3.960 0.001 0.000 0.206 40 G HA3 -0.188 3.773 3.960 0.001 0.000 0.206 40 G C 0.544 175.161 174.900 -0.473 0.000 0.995 40 G CA -0.369 44.552 45.100 -0.297 0.000 0.651 40 G HN 0.472 nan 8.290 nan 0.000 0.511 41 G N -0.333 107.957 108.800 -0.849 0.000 2.483 41 G HA2 0.574 4.534 3.960 0.001 0.000 0.248 41 G HA3 0.574 4.534 3.960 0.001 0.000 0.248 41 G C -0.093 174.466 174.900 -0.567 0.000 1.248 41 G CA 0.419 44.928 45.100 -0.984 0.000 0.838 41 G HN 0.563 nan 8.290 nan 0.000 0.566 42 H N -0.478 118.610 119.070 0.030 0.000 3.436 42 H HA 0.399 4.956 4.556 0.001 0.000 0.312 42 H C 1.758 177.263 175.328 0.295 0.000 1.675 42 H CA -0.091 56.120 56.048 0.271 0.000 1.361 42 H CB 0.642 30.508 29.762 0.173 0.000 1.731 42 H HN 0.381 nan 8.280 nan 0.000 0.732 43 S N 0.121 116.087 115.700 0.444 0.000 2.370 43 S HA -0.170 4.301 4.470 0.001 0.000 0.226 43 S C 2.006 176.710 174.600 0.174 0.000 1.033 43 S CA 1.622 60.009 58.200 0.311 0.000 1.011 43 S CB -0.193 63.187 63.200 0.300 0.000 0.852 43 S HN 0.393 nan 8.310 nan 0.000 0.457 44 L N 1.922 123.240 121.223 0.159 0.000 1.994 44 L HA -0.025 4.316 4.340 0.001 0.000 0.208 44 L C 2.215 179.137 176.870 0.086 0.000 1.071 44 L CA 1.797 56.697 54.840 0.099 0.000 0.745 44 L CB -0.486 41.620 42.059 0.079 0.000 0.892 44 L HN 0.109 nan 8.230 nan 0.000 0.431 45 R N -0.921 119.654 120.500 0.125 0.000 2.153 45 R HA 0.046 4.387 4.340 0.001 0.000 0.218 45 R C 2.186 178.567 176.300 0.134 0.000 1.072 45 R CA 0.812 56.996 56.100 0.141 0.000 0.990 45 R CB -0.385 29.993 30.300 0.130 0.000 0.889 45 R HN 0.527 nan 8.270 nan 0.000 0.452 46 A N 1.141 123.979 122.820 0.030 0.000 1.902 46 A HA -0.168 4.152 4.320 0.001 0.000 0.217 46 A C 2.120 179.528 177.584 -0.294 0.000 1.181 46 A CA 1.259 53.011 52.037 -0.474 0.000 0.623 46 A CB -0.352 18.349 19.000 -0.497 0.000 0.818 46 A HN 0.175 nan 8.150 nan 0.000 0.443 47 M N -1.210 118.323 119.600 -0.112 0.000 2.159 47 M HA -0.151 4.330 4.480 0.001 0.000 0.263 47 M C 2.338 178.619 176.300 -0.033 0.000 1.063 47 M CA 1.417 56.683 55.300 -0.057 0.000 1.110 47 M CB -0.297 32.302 32.600 -0.001 0.000 1.374 47 M HN 0.357 nan 8.290 nan 0.000 0.411 48 R N -0.429 120.063 120.500 -0.014 0.000 2.092 48 R HA -0.082 4.259 4.340 0.001 0.000 0.231 48 R C 2.148 178.458 176.300 0.017 0.000 1.119 48 R CA 1.097 57.208 56.100 0.019 0.000 0.970 48 R CB -0.503 29.822 30.300 0.042 0.000 0.864 48 R HN 0.222 nan 8.270 nan 0.000 0.440 49 V N 1.594 121.475 119.914 -0.054 0.000 2.343 49 V HA -0.237 3.884 4.120 0.001 0.000 0.247 49 V C 2.284 178.387 176.094 0.015 0.000 1.051 49 V CA 1.672 63.946 62.300 -0.043 0.000 1.036 49 V CB -0.415 31.236 31.823 -0.287 0.000 0.654 49 V HN 0.287 nan 8.190 nan 0.000 0.451 50 L N -0.349 120.849 121.223 -0.042 0.000 2.012 50 L HA -0.176 4.165 4.340 0.001 0.000 0.210 50 L C 2.637 179.563 176.870 0.095 0.000 1.073 50 L CA 1.801 56.651 54.840 0.016 0.000 0.748 50 L CB -0.831 41.209 42.059 -0.030 0.000 0.891 50 L HN 0.298 nan 8.230 nan 0.000 0.431 51 S N -0.474 115.273 115.700 0.079 0.000 2.356 51 S HA -0.167 4.304 4.470 0.001 0.000 0.223 51 S C 2.229 176.932 174.600 0.170 0.000 1.032 51 S CA 1.602 59.877 58.200 0.124 0.000 1.005 51 S CB -0.154 63.097 63.200 0.084 0.000 0.867 51 S HN 0.348 nan 8.310 nan 0.000 0.449 52 S N 1.338 117.122 115.700 0.140 0.000 2.368 52 S HA 0.010 4.481 4.470 0.001 0.000 0.225 52 S C 1.909 176.625 174.600 0.194 0.000 1.030 52 S CA 1.011 59.299 58.200 0.147 0.000 0.999 52 S CB -0.266 63.023 63.200 0.147 0.000 0.844 52 S HN 0.353 nan 8.310 nan 0.000 0.459 53 M N 0.537 120.291 119.600 0.256 0.000 2.229 53 M HA -0.055 4.426 4.480 0.001 0.000 0.264 53 M C 2.030 178.544 176.300 0.356 0.000 1.063 53 M CA 1.446 56.969 55.300 0.372 0.000 1.114 53 M CB -1.381 31.415 32.600 0.327 0.000 1.387 53 M HN 0.434 nan 8.290 nan 0.000 0.420 54 H N 1.140 120.327 119.070 0.195 0.000 2.357 54 H HA -0.063 4.494 4.556 0.001 0.000 0.301 54 H C 1.736 177.155 175.328 0.152 0.000 1.082 54 H CA 2.056 58.209 56.048 0.174 0.000 1.342 54 H CB 0.071 29.906 29.762 0.121 0.000 1.389 54 H HN 0.277 nan 8.280 nan 0.000 0.511 55 N N 0.102 118.812 118.700 0.016 0.000 2.142 55 N HA -0.119 4.621 4.740 0.001 0.000 0.186 55 N C 1.925 177.384 175.510 -0.086 0.000 1.023 55 N CA 1.397 54.406 53.050 -0.069 0.000 0.852 55 N CB -0.245 38.260 38.487 0.030 0.000 0.998 55 N HN 0.478 nan 8.380 nan 0.000 0.424 56 E N -0.439 119.696 120.200 -0.109 0.000 2.122 56 E HA 0.011 4.362 4.350 0.001 0.000 0.190 56 E C 0.542 176.874 176.600 -0.447 0.000 0.977 56 E CA 1.078 57.255 56.400 -0.371 0.000 0.820 56 E CB 0.022 29.341 29.700 -0.634 0.000 0.770 56 E HN 0.489 nan 8.360 nan 0.000 0.462 57 Y N -0.515 119.947 120.300 0.269 0.000 2.527 57 Y HA 0.328 4.878 4.550 0.001 0.000 0.247 57 Y C 0.007 176.218 175.900 0.517 0.000 1.138 57 Y CA -0.312 58.080 58.100 0.487 0.000 1.228 57 Y CB 0.580 39.361 38.460 0.535 0.000 1.252 57 Y HN -0.153 nan 8.280 nan 0.000 0.531 58 Q N 0.809 120.812 119.800 0.339 0.000 2.434 58 Q HA -0.172 4.169 4.340 0.001 0.000 0.299 58 Q C -1.038 175.201 176.000 0.397 0.000 1.286 58 Q CA 0.379 56.328 55.803 0.244 0.000 0.872 58 Q CB -1.271 27.586 28.738 0.199 0.000 1.193 58 Q HN 0.170 nan 8.270 nan 0.000 0.466 59 V N 1.105 121.276 119.914 0.428 0.000 2.409 59 V HA 0.258 4.378 4.120 0.001 0.000 0.291 59 V C -0.004 176.258 176.094 0.280 0.000 1.020 59 V CA -0.572 61.925 62.300 0.328 0.000 0.848 59 V CB 1.944 33.903 31.823 0.226 0.000 0.990 59 V HN 0.105 nan 8.190 nan 0.000 0.430 60 D N 5.572 126.110 120.400 0.230 0.000 2.412 60 D HA 0.426 5.066 4.640 0.001 0.000 0.224 60 D C -0.252 176.140 176.300 0.154 0.000 1.093 60 D CA 0.045 54.156 54.000 0.185 0.000 0.850 60 D CB 1.779 42.670 40.800 0.151 0.000 1.046 60 D HN 0.358 nan 8.370 nan 0.000 0.507 61 I N 3.877 124.521 120.570 0.123 0.000 2.304 61 I HA 0.188 4.359 4.170 0.001 0.000 0.291 61 I C -2.093 174.031 176.117 0.012 0.000 1.018 61 I CA -1.938 59.415 61.300 0.088 0.000 1.260 61 I CB 1.202 39.224 38.000 0.036 0.000 1.390 61 I HN -0.072 nan 8.210 nan 0.000 0.475 62 P HA -0.009 nan 4.420 nan 0.000 0.268 62 P C 0.580 177.844 177.300 -0.059 0.000 1.205 62 P CA -0.386 62.704 63.100 -0.017 0.000 0.771 62 P CB 0.822 32.520 31.700 -0.003 0.000 0.858 63 L N 3.911 125.121 121.223 -0.022 0.000 2.042 63 L HA -0.203 4.138 4.340 0.001 0.000 0.210 63 L C 2.321 179.224 176.870 0.055 0.000 1.076 63 L CA 1.766 56.591 54.840 -0.024 0.000 0.749 63 L CB -0.764 41.322 42.059 0.045 0.000 0.893 63 L HN 0.307 nan 8.230 nan 0.000 0.432 64 R N -0.230 120.330 120.500 0.100 0.000 2.117 64 R HA -0.198 4.143 4.340 0.001 0.000 0.243 64 R C 1.962 178.289 176.300 0.044 0.000 1.143 64 R CA 1.852 58.029 56.100 0.128 0.000 0.968 64 R CB -1.486 28.847 30.300 0.055 0.000 0.863 64 R HN 0.375 nan 8.270 nan 0.000 0.444 65 I N 1.329 121.831 120.570 -0.112 0.000 2.353 65 I HA -0.143 4.028 4.170 0.001 0.000 0.248 65 I C 2.438 178.434 176.117 -0.203 0.000 1.119 65 I CA 0.535 61.663 61.300 -0.287 0.000 1.417 65 I CB -0.994 36.566 38.000 -0.733 0.000 1.078 65 I HN 0.108 nan 8.210 nan 0.000 0.421 66 L N 0.743 121.860 121.223 -0.177 0.000 2.046 66 L HA -0.153 4.188 4.340 0.001 0.000 0.208 66 L C 2.359 179.226 176.870 -0.004 0.000 1.077 66 L CA 1.837 56.579 54.840 -0.163 0.000 0.747 66 L CB -0.989 40.863 42.059 -0.344 0.000 0.896 66 L HN 0.035 nan 8.230 nan 0.000 0.432 67 F N 0.021 120.016 119.950 0.076 0.000 2.134 67 F HA -0.211 4.316 4.527 0.001 0.000 0.299 67 F C 2.650 178.455 175.800 0.007 0.000 1.097 67 F CA 1.661 59.692 58.000 0.051 0.000 1.264 67 F CB -0.191 38.778 39.000 -0.051 0.000 1.001 67 F HN 0.228 nan 8.300 nan 0.000 0.479 68 E N 0.275 120.574 120.200 0.165 0.000 2.106 68 E HA -0.143 4.208 4.350 0.001 0.000 0.192 68 E C 0.245 176.884 176.600 0.065 0.000 0.984 68 E CA 0.855 57.299 56.400 0.073 0.000 0.806 68 E CB 0.217 29.924 29.700 0.013 0.000 0.750 68 E HN 0.041 nan 8.360 nan 0.000 0.458 69 K N 0.939 121.369 120.400 0.051 0.000 2.682 69 K HA 0.193 4.514 4.320 0.001 0.000 0.189 69 K C -2.263 174.423 176.600 0.144 0.000 1.062 69 K CA -1.525 54.800 56.287 0.064 0.000 0.997 69 K CB 1.531 34.027 32.500 -0.007 0.000 1.405 69 K HN 0.152 nan 8.250 nan 0.000 0.588 70 P HA -0.049 nan 4.420 nan 0.000 0.249 70 P C 0.097 177.657 177.300 0.432 0.000 1.229 70 P CA 0.389 63.701 63.100 0.353 0.000 0.788 70 P CB 0.134 32.108 31.700 0.458 0.000 1.072 71 T N -3.687 111.062 114.554 0.325 0.000 2.918 71 T HA 0.358 4.709 4.350 0.001 0.000 0.286 71 T C 1.357 176.125 174.700 0.113 0.000 1.026 71 T CA -0.844 61.430 62.100 0.289 0.000 1.031 71 T CB 1.044 70.005 68.868 0.154 0.000 1.046 71 T HN -0.324 nan 8.240 nan 0.000 0.479 72 I N 1.741 122.216 120.570 -0.159 0.000 2.151 72 I HA -0.250 3.920 4.170 0.001 0.000 0.243 72 I C 2.852 178.865 176.117 -0.172 0.000 1.080 72 I CA 2.153 63.208 61.300 -0.407 0.000 1.339 72 I CB -1.212 36.480 38.000 -0.514 0.000 1.039 72 I HN 0.909 nan 8.210 nan 0.000 0.409 73 Q N 0.685 120.428 119.800 -0.096 0.000 2.119 73 Q HA -0.193 4.147 4.340 0.001 0.000 0.201 73 Q C 1.819 177.809 176.000 -0.017 0.000 0.972 73 Q CA 1.446 57.214 55.803 -0.058 0.000 0.847 73 Q CB -0.452 28.257 28.738 -0.048 0.000 0.903 73 Q HN 0.521 nan 8.270 nan 0.000 0.433 74 E N 0.639 120.848 120.200 0.015 0.000 2.072 74 E HA -0.141 4.210 4.350 0.001 0.000 0.191 74 E C 1.956 178.594 176.600 0.063 0.000 0.985 74 E CA 0.982 57.408 56.400 0.045 0.000 0.801 74 E CB -0.015 29.724 29.700 0.065 0.000 0.750 74 E HN 0.233 nan 8.360 nan 0.000 0.452 75 L N 0.805 122.060 121.223 0.052 0.000 2.109 75 L HA -0.030 4.311 4.340 0.001 0.000 0.207 75 L C 2.166 179.069 176.870 0.055 0.000 1.086 75 L CA 1.618 56.496 54.840 0.063 0.000 0.760 75 L CB -0.526 41.577 42.059 0.072 0.000 0.910 75 L HN 0.026 nan 8.230 nan 0.000 0.437 76 A N -0.466 122.352 122.820 -0.003 0.000 1.902 76 A HA -0.153 4.167 4.320 0.001 0.000 0.217 76 A C 2.462 180.031 177.584 -0.024 0.000 1.181 76 A CA 1.854 53.887 52.037 -0.007 0.000 0.623 76 A CB -1.162 17.845 19.000 0.011 0.000 0.818 76 A HN 0.525 nan 8.150 nan 0.000 0.443 77 A N -1.028 121.793 122.820 0.001 0.000 1.908 77 A HA -0.099 4.222 4.320 0.001 0.000 0.218 77 A C 2.071 179.652 177.584 -0.004 0.000 1.181 77 A CA 1.714 53.746 52.037 -0.009 0.000 0.627 77 A CB -0.795 18.210 19.000 0.007 0.000 0.818 77 A HN 0.795 nan 8.150 nan 0.000 0.445 78 F N 0.768 120.663 119.950 -0.092 0.000 2.095 78 F HA -0.196 4.331 4.527 0.001 0.000 0.298 78 F C 1.937 177.641 175.800 -0.160 0.000 1.104 78 F CA 1.962 59.905 58.000 -0.095 0.000 1.232 78 F CB -0.245 38.712 39.000 -0.072 0.000 0.987 78 F HN 0.196 nan 8.300 nan 0.000 0.475 79 I N 0.360 120.785 120.570 -0.240 0.000 2.226 79 I HA -0.275 3.896 4.170 0.001 0.000 0.245 79 I C 2.225 178.015 176.117 -0.546 0.000 1.100 79 I CA 1.692 62.646 61.300 -0.577 0.000 1.374 79 I CB -0.650 36.764 38.000 -0.976 0.000 1.057 79 I HN 0.221 nan 8.210 nan 0.000 0.413 80 E N 0.677 120.677 120.200 -0.334 0.000 2.153 80 E HA -0.227 4.124 4.350 0.001 0.000 0.194 80 E C 1.571 178.176 176.600 0.008 0.000 0.988 80 E CA 1.116 57.483 56.400 -0.056 0.000 0.811 80 E CB -0.003 29.674 29.700 -0.039 0.000 0.746 80 E HN 0.537 nan 8.360 nan 0.000 0.466 81 E N -0.280 119.828 120.200 -0.154 0.000 2.474 81 E HA 0.058 4.409 4.350 0.001 0.000 0.195 81 E C -0.451 176.009 176.600 -0.234 0.000 1.039 81 E CA 0.128 56.446 56.400 -0.136 0.000 0.881 81 E CB 0.903 30.530 29.700 -0.122 0.000 0.970 81 E HN -0.062 nan 8.360 nan 0.000 0.486 82 T N 0.260 114.595 114.554 -0.366 0.000 2.791 82 T HA 0.384 4.735 4.350 0.001 0.000 0.288 82 T C 0.577 175.137 174.700 -0.234 0.000 0.999 82 T CA -0.404 61.452 62.100 -0.406 0.000 0.952 82 T CB 1.688 70.059 68.868 -0.828 0.000 0.938 82 T HN 0.054 nan 8.240 nan 0.000 0.444 83 A N 3.487 126.226 122.820 -0.136 0.000 1.975 83 A HA 0.174 4.495 4.320 0.001 0.000 0.215 83 A C 0.920 178.493 177.584 -0.017 0.000 1.170 83 A CA 0.556 52.557 52.037 -0.060 0.000 0.656 83 A CB -0.194 18.784 19.000 -0.037 0.000 0.821 83 A HN 0.655 nan 8.150 nan 0.000 0.449 84 K N 0.053 120.435 120.400 -0.029 0.000 2.451 84 K HA 0.407 4.728 4.320 0.001 0.000 0.280 84 K C 0.943 177.568 176.600 0.042 0.000 1.020 84 K CA 0.746 57.043 56.287 0.016 0.000 1.008 84 K CB -0.121 32.391 32.500 0.020 0.000 0.917 84 K HN 0.632 nan 8.250 nan 0.000 0.478 85 G N 2.164 111.013 108.800 0.082 0.000 2.283 85 G HA2 -0.312 3.648 3.960 0.001 0.000 0.280 85 G HA3 -0.312 3.648 3.960 0.001 0.000 0.280 85 G C -0.456 174.532 174.900 0.146 0.000 1.029 85 G CA 0.252 45.425 45.100 0.122 0.000 0.840 85 G HN 0.644 nan 8.290 nan 0.000 0.505 86 N N -0.628 118.160 118.700 0.147 0.000 2.577 86 N HA 0.361 5.102 4.740 0.001 0.000 0.275 86 N C 1.105 176.795 175.510 0.300 0.000 1.091 86 N CA -0.007 53.168 53.050 0.207 0.000 0.843 86 N CB 1.467 39.997 38.487 0.072 0.000 1.295 86 N HN 0.533 nan 8.380 nan 0.000 0.530 87 V N 1.093 121.244 119.914 0.396 0.000 3.305 87 V HA 0.155 4.276 4.120 0.001 0.000 0.269 87 V C 0.977 177.367 176.094 0.494 0.000 1.157 87 V CA 1.063 63.592 62.300 0.381 0.000 1.157 87 V CB -1.201 30.810 31.823 0.312 0.000 0.772 87 V HN 0.379 nan 8.190 nan 0.000 0.498 88 F N 1.028 121.281 119.950 0.506 0.000 2.765 88 F HA 0.358 4.885 4.527 0.001 0.000 0.302 88 F C 1.740 177.485 175.800 -0.092 0.000 1.111 88 F CA 0.510 58.720 58.000 0.351 0.000 1.359 88 F CB -0.001 39.228 39.000 0.383 0.000 1.097 88 F HN 0.167 nan 8.300 nan 0.000 0.577 89 S N 1.250 117.035 115.700 0.142 0.000 2.531 89 S HA 0.340 4.811 4.470 0.001 0.000 0.279 89 S C -0.224 174.254 174.600 -0.204 0.000 1.305 89 S CA -0.386 57.764 58.200 -0.083 0.000 1.058 89 S CB -0.069 63.127 63.200 -0.007 0.000 0.899 89 S HN 0.149 nan 8.310 nan 0.000 0.493 90 I N 5.173 125.529 120.570 -0.356 0.000 2.328 90 I HA 0.415 4.586 4.170 0.001 0.000 0.287 90 I C 0.043 176.085 176.117 -0.124 0.000 1.012 90 I CA -0.473 60.673 61.300 -0.256 0.000 1.195 90 I CB 1.082 38.879 38.000 -0.338 0.000 1.350 90 I HN 0.559 nan 8.210 nan 0.000 0.464 91 E N 6.803 126.990 120.200 -0.021 0.000 2.320 91 E HA 0.493 4.844 4.350 0.001 0.000 0.264 91 E C -2.492 174.121 176.600 0.022 0.000 0.923 91 E CA -2.225 54.171 56.400 -0.007 0.000 0.796 91 E CB 1.215 30.921 29.700 0.009 0.000 1.262 91 E HN 0.188 nan 8.360 nan 0.000 0.428 92 P HA -0.034 nan 4.420 nan 0.000 0.264 92 P C -0.215 177.110 177.300 0.040 0.000 1.183 92 P CA 0.010 63.124 63.100 0.023 0.000 0.763 92 P CB 0.332 32.041 31.700 0.015 0.000 0.807 93 V N 1.040 120.984 119.914 0.049 0.000 2.837 93 V HA 0.353 4.474 4.120 0.001 0.000 0.310 93 V C 0.104 176.257 176.094 0.100 0.000 1.059 93 V CA -0.898 61.452 62.300 0.085 0.000 1.004 93 V CB 0.938 32.832 31.823 0.119 0.000 1.045 93 V HN 0.360 nan 8.190 nan 0.000 0.465 94 Q N 1.430 121.293 119.800 0.105 0.000 2.364 94 Q HA 0.168 4.509 4.340 0.001 0.000 0.267 94 Q C -0.119 175.970 176.000 0.147 0.000 0.999 94 Q CA -0.078 55.781 55.803 0.094 0.000 0.886 94 Q CB 0.921 29.697 28.738 0.062 0.000 1.243 94 Q HN 0.785 nan 8.270 nan 0.000 0.415 95 K N 2.034 122.504 120.400 0.118 0.000 2.448 95 K HA -0.048 4.273 4.320 0.001 0.000 0.278 95 K C -0.508 176.115 176.600 0.039 0.000 1.009 95 K CA 0.475 56.849 56.287 0.144 0.000 0.995 95 K CB 0.528 33.077 32.500 0.080 0.000 0.917 95 K HN 0.396 nan 8.250 nan 0.000 0.481 96 Q N 1.704 121.455 119.800 -0.082 0.000 2.462 96 Q HA 0.425 4.766 4.340 0.001 0.000 0.285 96 Q C -0.197 175.516 176.000 -0.478 0.000 1.035 96 Q CA 0.011 55.612 55.803 -0.337 0.000 0.799 96 Q CB 1.854 30.295 28.738 -0.495 0.000 1.452 96 Q HN 0.634 nan 8.270 nan 0.000 0.404 97 A N 0.906 123.489 122.820 -0.395 0.000 1.902 97 A HA 0.051 4.372 4.320 0.001 0.000 0.217 97 A C -0.337 176.757 177.584 -0.817 0.000 1.181 97 A CA 1.560 53.287 52.037 -0.517 0.000 0.623 97 A CB -0.168 18.595 19.000 -0.396 0.000 0.818 97 A HN 0.554 nan 8.150 nan 0.000 0.443 98 Y N -3.989 116.057 120.300 -0.424 0.000 2.609 98 Y HA 0.621 5.172 4.550 0.001 0.000 0.342 98 Y C -0.970 174.567 175.900 -0.606 0.000 1.058 98 Y CA -1.126 56.754 58.100 -0.366 0.000 1.055 98 Y CB 1.284 39.639 38.460 -0.174 0.000 1.292 98 Y HN 0.126 nan 8.280 nan 0.000 0.476 99 Y N 1.227 121.604 120.300 0.129 0.000 2.499 99 Y HA 0.505 5.056 4.550 0.001 0.000 0.347 99 Y C -2.481 173.453 175.900 0.057 0.000 0.987 99 Y CA -2.784 55.356 58.100 0.067 0.000 1.044 99 Y CB 1.612 40.099 38.460 0.045 0.000 1.245 99 Y HN 0.244 nan 8.280 nan 0.000 0.461 100 P HA 0.034 nan 4.420 nan 0.000 0.269 100 P C -0.370 177.010 177.300 0.133 0.000 1.209 100 P CA -0.090 63.066 63.100 0.094 0.000 0.776 100 P CB 0.990 32.711 31.700 0.033 0.000 0.876 101 V N 0.082 120.071 119.914 0.125 0.000 2.881 101 V HA 0.340 4.461 4.120 0.001 0.000 0.303 101 V C 0.733 176.907 176.094 0.133 0.000 1.070 101 V CA -0.541 61.876 62.300 0.196 0.000 1.074 101 V CB 0.116 32.064 31.823 0.208 0.000 1.012 101 V HN 0.726 nan 8.190 nan 0.000 0.482 102 S N 1.931 117.755 115.700 0.208 0.000 2.589 102 S HA 0.131 4.602 4.470 0.001 0.000 0.265 102 S C 1.455 176.128 174.600 0.122 0.000 1.342 102 S CA 0.412 58.695 58.200 0.137 0.000 1.005 102 S CB 0.962 64.349 63.200 0.313 0.000 0.909 102 S HN 1.303 nan 8.310 nan 0.000 0.555 103 S N 1.392 117.148 115.700 0.093 0.000 2.359 103 S HA -0.159 4.312 4.470 0.001 0.000 0.224 103 S C 2.085 176.743 174.600 0.098 0.000 1.035 103 S CA 1.517 59.765 58.200 0.080 0.000 1.018 103 S CB -1.272 61.977 63.200 0.081 0.000 0.876 103 S HN 0.987 nan 8.310 nan 0.000 0.448 104 A N 0.689 123.594 122.820 0.141 0.000 1.902 104 A HA -0.122 4.198 4.320 0.001 0.000 0.217 104 A C 2.148 179.761 177.584 0.048 0.000 1.181 104 A CA 1.637 53.737 52.037 0.106 0.000 0.623 104 A CB -0.829 18.253 19.000 0.136 0.000 0.818 104 A HN 0.706 nan 8.150 nan 0.000 0.443 105 Q N -0.686 119.173 119.800 0.097 0.000 2.135 105 Q HA -0.218 4.123 4.340 0.001 0.000 0.204 105 Q C 2.191 178.194 176.000 0.005 0.000 0.981 105 Q CA 1.824 57.656 55.803 0.048 0.000 0.856 105 Q CB -0.189 28.671 28.738 0.204 0.000 0.902 105 Q HN 0.732 nan 8.270 nan 0.000 0.425 106 K N 0.971 121.402 120.400 0.052 0.000 2.057 106 K HA -0.224 4.097 4.320 0.001 0.000 0.207 106 K C 2.140 178.779 176.600 0.065 0.000 1.049 106 K CA 1.389 57.707 56.287 0.052 0.000 0.931 106 K CB -0.045 32.479 32.500 0.040 0.000 0.714 106 K HN -0.008 nan 8.250 nan 0.000 0.440 107 R N 0.286 120.809 120.500 0.039 0.000 2.073 107 R HA -0.088 4.253 4.340 0.001 0.000 0.234 107 R C 2.278 178.589 176.300 0.017 0.000 1.134 107 R CA 1.834 57.960 56.100 0.042 0.000 0.952 107 R CB -0.159 30.171 30.300 0.050 0.000 0.850 107 R HN 0.226 nan 8.270 nan 0.000 0.433 108 M N -0.723 118.806 119.600 -0.119 0.000 2.117 108 M HA -0.195 4.286 4.480 0.001 0.000 0.262 108 M C 2.064 178.271 176.300 -0.155 0.000 1.065 108 M CA 1.688 56.764 55.300 -0.373 0.000 1.114 108 M CB -0.462 31.737 32.600 -0.669 0.000 1.361 108 M HN 0.230 nan 8.290 nan 0.000 0.408 109 Y N 1.265 121.433 120.300 -0.219 0.000 2.097 109 Y HA -0.247 4.304 4.550 0.002 0.000 0.282 109 Y C 2.049 177.965 175.900 0.028 0.000 1.152 109 Y CA 1.880 59.872 58.100 -0.181 0.000 1.136 109 Y CB -0.232 38.093 38.460 -0.225 0.000 0.975 109 Y HN 0.074 nan 8.280 nan 0.000 0.498 110 I N -0.391 120.323 120.570 0.240 0.000 2.226 110 I HA -0.349 3.822 4.170 0.001 0.000 0.245 110 I C 2.293 178.558 176.117 0.247 0.000 1.100 110 I CA 1.392 62.873 61.300 0.302 0.000 1.374 110 I CB -0.451 37.646 38.000 0.163 0.000 1.057 110 I HN 0.272 nan 8.210 nan 0.000 0.413 111 L N -0.007 121.318 121.223 0.170 0.000 2.056 111 L HA -0.239 4.102 4.340 0.001 0.000 0.207 111 L C 2.418 179.384 176.870 0.161 0.000 1.078 111 L CA 1.363 56.316 54.840 0.188 0.000 0.749 111 L CB -0.720 41.497 42.059 0.264 0.000 0.901 111 L HN 0.356 nan 8.230 nan 0.000 0.433 112 D N -0.463 120.024 120.400 0.144 0.000 2.149 112 D HA -0.204 4.437 4.640 0.001 0.000 0.198 112 D C 2.026 178.267 176.300 -0.099 0.000 0.990 112 D CA 1.298 55.338 54.000 0.066 0.000 0.839 112 D CB 0.283 41.097 40.800 0.024 0.000 0.948 112 D HN 0.364 nan 8.370 nan 0.000 0.460 113 Q N -1.279 118.389 119.800 -0.220 0.000 2.297 113 Q HA 0.019 4.360 4.340 0.001 0.000 0.203 113 Q C 1.786 177.511 176.000 -0.459 0.000 0.931 113 Q CA 0.481 56.023 55.803 -0.435 0.000 0.885 113 Q CB 0.130 28.421 28.738 -0.746 0.000 0.991 113 Q HN 0.388 nan 8.270 nan 0.000 0.498 114 F N -0.336 119.570 119.950 -0.073 0.000 2.653 114 F HA 0.125 4.653 4.527 0.001 0.000 0.288 114 F C 2.034 177.824 175.800 -0.016 0.000 1.121 114 F CA 0.266 58.248 58.000 -0.030 0.000 1.384 114 F CB 0.565 39.560 39.000 -0.009 0.000 1.115 114 F HN -0.028 nan 8.300 nan 0.000 0.599 115 E N 0.144 120.438 120.200 0.156 0.000 2.415 115 E HA 0.236 4.587 4.350 0.001 0.000 0.197 115 E C 0.861 177.484 176.600 0.038 0.000 1.007 115 E CA 0.597 57.052 56.400 0.092 0.000 0.890 115 E CB 0.326 30.079 29.700 0.089 0.000 0.891 115 E HN 0.178 nan 8.360 nan 0.000 0.496 116 G N 0.513 109.323 108.800 0.015 0.000 2.587 116 G HA2 -0.189 3.772 3.960 0.001 0.000 0.274 116 G HA3 -0.189 3.772 3.960 0.001 0.000 0.274 116 G C 0.220 175.106 174.900 -0.024 0.000 1.046 116 G CA 0.271 45.364 45.100 -0.011 0.000 1.308 116 G HN 0.168 nan 8.290 nan 0.000 0.529 117 V N 2.221 122.120 119.914 -0.026 0.000 3.249 117 V HA 0.444 4.565 4.120 0.001 0.000 0.338 117 V C 2.358 178.388 176.094 -0.106 0.000 1.363 117 V CA 1.064 63.305 62.300 -0.098 0.000 1.205 117 V CB -0.549 31.192 31.823 -0.137 0.000 1.164 117 V HN 2.015 nan 8.190 nan 0.000 0.458 118 G N 2.720 111.488 108.800 -0.053 0.000 2.699 118 G HA2 -0.383 3.578 3.960 0.001 0.000 0.347 118 G HA3 -0.383 3.578 3.960 0.001 0.000 0.347 118 G C 0.881 175.770 174.900 -0.020 0.000 1.225 118 G CA 1.269 46.343 45.100 -0.042 0.000 0.973 118 G HN 0.903 nan 8.290 nan 0.000 0.551 119 I N -1.818 118.719 120.570 -0.054 0.000 3.927 119 I HA 0.592 4.763 4.170 0.001 0.000 0.332 119 I C 1.810 177.863 176.117 -0.107 0.000 1.485 119 I CA 1.052 62.336 61.300 -0.026 0.000 1.131 119 I CB 0.862 38.851 38.000 -0.017 0.000 1.092 119 I HN 0.338 nan 8.210 nan 0.000 0.410 120 S N 1.010 116.572 115.700 -0.230 0.000 2.423 120 S HA -0.043 4.428 4.470 0.001 0.000 0.231 120 S C 1.445 175.802 174.600 -0.406 0.000 1.014 120 S CA 1.235 59.186 58.200 -0.414 0.000 0.965 120 S CB -0.394 62.456 63.200 -0.584 0.000 0.785 120 S HN 0.741 nan 8.310 nan 0.000 0.495 121 Y N 1.207 121.422 120.300 -0.141 0.000 2.493 121 Y HA 0.342 4.893 4.550 0.002 0.000 0.275 121 Y C 0.423 176.177 175.900 -0.243 0.000 1.183 121 Y CA -0.993 56.969 58.100 -0.228 0.000 1.258 121 Y CB 0.015 38.222 38.460 -0.421 0.000 1.108 121 Y HN 0.185 nan 8.280 nan 0.000 0.521 122 N N 1.104 119.822 118.700 0.030 0.000 2.482 122 N HA 0.215 4.956 4.740 0.001 0.000 0.260 122 N C -0.439 175.078 175.510 0.011 0.000 1.236 122 N CA 0.503 53.606 53.050 0.089 0.000 0.938 122 N CB 0.457 39.036 38.487 0.153 0.000 1.128 122 N HN 0.114 nan 8.380 nan 0.000 0.448 123 M N 1.822 121.412 119.600 -0.017 0.000 2.693 123 M HA 0.276 4.757 4.480 0.001 0.000 0.224 123 M C -2.538 173.706 176.300 -0.093 0.000 1.149 123 M CA -1.466 53.780 55.300 -0.090 0.000 0.622 123 M CB 1.425 33.904 32.600 -0.202 0.000 1.443 123 M HN 0.250 nan 8.290 nan 0.000 0.431 124 P HA 0.302 nan 4.420 nan 0.000 0.278 124 P C -0.723 176.492 177.300 -0.142 0.000 1.238 124 P CA -0.073 62.941 63.100 -0.143 0.000 0.794 124 P CB 1.386 33.109 31.700 0.038 0.000 0.955 125 S N 0.397 115.950 115.700 -0.246 0.000 2.564 125 S HA 0.789 5.260 4.470 0.001 0.000 0.274 125 S C -0.679 173.860 174.600 -0.102 0.000 1.124 125 S CA -0.610 57.512 58.200 -0.129 0.000 0.869 125 S CB 1.491 64.615 63.200 -0.126 0.000 1.105 125 S HN 0.594 nan 8.310 nan 0.000 0.472 126 T N -0.684 113.891 114.554 0.035 0.000 2.893 126 T HA 0.739 5.090 4.350 0.001 0.000 0.293 126 T C -0.704 174.055 174.700 0.097 0.000 1.027 126 T CA -0.630 61.543 62.100 0.121 0.000 0.988 126 T CB 1.445 70.503 68.868 0.316 0.000 1.043 126 T HN 0.910 nan 8.240 nan 0.000 0.461 127 M N 3.646 123.277 119.600 0.051 0.000 2.263 127 M HA 0.580 5.061 4.480 0.001 0.000 0.295 127 M C -1.836 174.482 176.300 0.031 0.000 1.028 127 M CA -1.233 54.089 55.300 0.037 0.000 0.921 127 M CB 1.821 34.398 32.600 -0.038 0.000 1.601 127 M HN 0.746 nan 8.290 nan 0.000 0.440 128 L N 6.720 127.997 121.223 0.089 0.000 2.313 128 L HA 0.527 4.868 4.340 0.001 0.000 0.282 128 L C -1.394 175.516 176.870 0.068 0.000 1.092 128 L CA 0.360 55.240 54.840 0.067 0.000 0.831 128 L CB 0.414 42.571 42.059 0.164 0.000 1.159 128 L HN 0.654 nan 8.230 nan 0.000 0.442 129 I N 5.263 125.882 120.570 0.082 0.000 2.355 129 I HA 0.322 4.492 4.170 0.001 0.000 0.288 129 I C -0.357 175.858 176.117 0.163 0.000 0.999 129 I CA -0.429 60.942 61.300 0.119 0.000 1.163 129 I CB 1.216 39.294 38.000 0.130 0.000 1.316 129 I HN 0.599 nan 8.210 nan 0.000 0.454 130 E N 5.050 125.321 120.200 0.119 0.000 2.114 130 E HA 0.703 5.054 4.350 0.001 0.000 0.266 130 E C 0.045 176.711 176.600 0.110 0.000 0.896 130 E CA -0.418 56.047 56.400 0.108 0.000 0.750 130 E CB 1.995 31.738 29.700 0.071 0.000 1.121 130 E HN 0.861 nan 8.360 nan 0.000 0.413 131 G N 1.981 110.869 108.800 0.146 0.000 2.352 131 G HA2 -0.097 3.863 3.960 0.001 0.000 0.283 131 G HA3 -0.097 3.863 3.960 0.001 0.000 0.283 131 G C -0.006 175.012 174.900 0.197 0.000 1.308 131 G CA -0.730 44.450 45.100 0.132 0.000 0.892 131 G HN 0.206 nan 8.290 nan 0.000 0.504 132 K N -0.449 120.043 120.400 0.153 0.000 1.973 132 K HA 0.135 4.455 4.320 0.001 0.000 0.212 132 K C 1.438 178.157 176.600 0.198 0.000 1.047 132 K CA 0.994 57.383 56.287 0.169 0.000 0.937 132 K CB -0.574 31.995 32.500 0.115 0.000 0.721 132 K HN 1.120 nan 8.250 nan 0.000 0.440 133 L N 1.838 123.126 121.223 0.109 0.000 2.277 133 L HA -0.225 4.115 4.340 0.001 0.000 0.461 133 L C -0.950 175.914 176.870 -0.009 0.000 1.003 133 L CA 0.311 55.144 54.840 -0.011 0.000 1.248 133 L CB 0.001 41.855 42.059 -0.341 0.000 1.025 133 L HN 0.397 nan 8.230 nan 0.000 0.523 134 E N 4.398 124.673 120.200 0.125 0.000 2.113 134 E HA 0.193 4.544 4.350 0.001 0.000 0.273 134 E C 0.704 177.339 176.600 0.058 0.000 0.924 134 E CA -0.344 56.090 56.400 0.057 0.000 0.764 134 E CB 1.154 30.871 29.700 0.028 0.000 1.104 134 E HN 0.575 nan 8.360 nan 0.000 0.406 135 R N 1.520 121.998 120.500 -0.038 0.000 2.096 135 R HA -0.151 4.189 4.340 0.001 0.000 0.235 135 R C 1.803 178.132 176.300 0.047 0.000 1.127 135 R CA 2.101 58.184 56.100 -0.027 0.000 0.968 135 R CB -0.798 29.366 30.300 -0.226 0.000 0.861 135 R HN 0.482 nan 8.270 nan 0.000 0.440 136 T N -1.282 113.275 114.554 0.005 0.000 2.821 136 T HA 0.002 4.352 4.350 0.001 0.000 0.267 136 T C 1.985 176.713 174.700 0.048 0.000 1.046 136 T CA 0.746 62.860 62.100 0.024 0.000 1.139 136 T CB -0.212 68.647 68.868 -0.016 0.000 0.871 136 T HN 0.248 nan 8.240 nan 0.000 0.454 137 R N 0.581 121.084 120.500 0.004 0.000 2.092 137 R HA 0.042 4.383 4.340 0.001 0.000 0.231 137 R C 2.588 178.959 176.300 0.119 0.000 1.119 137 R CA 1.067 57.107 56.100 -0.100 0.000 0.970 137 R CB -0.822 29.192 30.300 -0.477 0.000 0.864 137 R HN 0.326 nan 8.270 nan 0.000 0.440 138 V N 1.326 121.471 119.914 0.385 0.000 2.252 138 V HA -0.307 3.814 4.120 0.001 0.000 0.249 138 V C 2.362 178.852 176.094 0.660 0.000 1.056 138 V CA 2.165 64.856 62.300 0.651 0.000 1.022 138 V CB -0.554 31.627 31.823 0.597 0.000 0.641 138 V HN 0.420 nan 8.190 nan 0.000 0.445 139 E N 0.016 120.502 120.200 0.477 0.000 2.058 139 E HA -0.263 4.088 4.350 0.001 0.000 0.194 139 E C 2.225 179.072 176.600 0.412 0.000 0.997 139 E CA 1.523 58.223 56.400 0.500 0.000 0.801 139 E CB -0.269 29.620 29.700 0.315 0.000 0.746 139 E HN 0.570 nan 8.360 nan 0.000 0.450 140 A N 1.015 123.972 122.820 0.228 0.000 1.933 140 A HA -0.103 4.218 4.320 0.001 0.000 0.218 140 A C 2.363 179.990 177.584 0.072 0.000 1.175 140 A CA 1.787 53.892 52.037 0.113 0.000 0.628 140 A CB -0.704 18.303 19.000 0.012 0.000 0.814 140 A HN 0.424 nan 8.150 nan 0.000 0.444 141 A N -1.152 121.696 122.820 0.047 0.000 1.902 141 A HA 0.007 4.328 4.320 0.001 0.000 0.217 141 A C 1.926 179.515 177.584 0.008 0.000 1.181 141 A CA 1.494 53.474 52.037 -0.096 0.000 0.623 141 A CB -0.726 18.010 19.000 -0.440 0.000 0.818 141 A HN 0.446 nan 8.150 nan 0.000 0.443 142 F N 0.214 120.299 119.950 0.224 0.000 2.171 142 F HA -0.164 4.363 4.527 0.001 0.000 0.300 142 F C 2.721 178.396 175.800 -0.209 0.000 1.090 142 F CA 1.775 59.785 58.000 0.017 0.000 1.293 142 F CB -0.458 38.486 39.000 -0.094 0.000 1.013 142 F HN 0.301 nan 8.300 nan 0.000 0.486 143 Q N -0.337 119.505 119.800 0.069 0.000 2.084 143 Q HA -0.181 4.160 4.340 0.001 0.000 0.202 143 Q C 2.349 178.352 176.000 0.004 0.000 0.978 143 Q CA 1.360 57.176 55.803 0.021 0.000 0.844 143 Q CB -0.213 28.598 28.738 0.122 0.000 0.898 143 Q HN 0.381 nan 8.270 nan 0.000 0.426 144 R N 0.271 120.773 120.500 0.004 0.000 2.081 144 R HA -0.091 4.250 4.340 0.001 0.000 0.235 144 R C 2.351 178.631 176.300 -0.033 0.000 1.131 144 R CA 0.957 57.041 56.100 -0.027 0.000 0.960 144 R CB -0.323 29.947 30.300 -0.050 0.000 0.856 144 R HN 0.263 nan 8.270 nan 0.000 0.436 145 L N 0.509 121.730 121.223 -0.003 0.000 2.012 145 L HA -0.219 4.121 4.340 0.001 0.000 0.210 145 L C 2.399 179.314 176.870 0.074 0.000 1.073 145 L CA 1.408 56.286 54.840 0.063 0.000 0.748 145 L CB -0.385 41.748 42.059 0.122 0.000 0.891 145 L HN 0.206 nan 8.230 nan 0.000 0.431 146 I N -0.321 120.262 120.570 0.021 0.000 2.226 146 I HA -0.285 3.886 4.170 0.001 0.000 0.245 146 I C 2.772 178.897 176.117 0.013 0.000 1.100 146 I CA 1.183 62.488 61.300 0.008 0.000 1.374 146 I CB -0.445 37.515 38.000 -0.067 0.000 1.057 146 I HN 0.201 nan 8.210 nan 0.000 0.413 147 A N 0.705 123.520 122.820 -0.008 0.000 1.933 147 A HA -0.245 4.075 4.320 0.001 0.000 0.218 147 A C 2.444 179.996 177.584 -0.053 0.000 1.175 147 A CA 1.837 53.864 52.037 -0.017 0.000 0.628 147 A CB -0.617 18.371 19.000 -0.019 0.000 0.814 147 A HN 0.391 nan 8.150 nan 0.000 0.444 148 R N -1.192 119.239 120.500 -0.115 0.000 2.073 148 R HA -0.079 4.262 4.340 0.001 0.000 0.229 148 R C -0.084 176.034 176.300 -0.304 0.000 1.120 148 R CA 0.988 56.932 56.100 -0.260 0.000 0.967 148 R CB -0.121 29.922 30.300 -0.429 0.000 0.862 148 R HN 0.547 nan 8.270 nan 0.000 0.436 149 H N 0.815 119.888 119.070 0.005 0.000 2.581 149 H HA 0.115 4.672 4.556 0.001 0.000 0.308 149 H C 0.122 175.456 175.328 0.010 0.000 1.040 149 H CA -0.268 55.788 56.048 0.013 0.000 1.231 149 H CB 1.767 31.537 29.762 0.013 0.000 1.396 149 H HN 0.292 nan 8.280 nan 0.000 0.467 150 E N 1.784 122.052 120.200 0.113 0.000 2.209 150 E HA -0.125 4.225 4.350 0.001 0.000 0.196 150 E C 1.407 178.035 176.600 0.046 0.000 0.993 150 E CA 0.907 57.343 56.400 0.060 0.000 0.819 150 E CB 0.361 30.080 29.700 0.031 0.000 0.745 150 E HN 0.428 nan 8.360 nan 0.000 0.477 151 S N 0.719 116.451 115.700 0.054 0.000 2.419 151 S HA -0.082 4.389 4.470 0.001 0.000 0.233 151 S C 1.756 176.349 174.600 -0.012 0.000 1.016 151 S CA 0.674 58.861 58.200 -0.022 0.000 0.974 151 S CB -0.030 63.120 63.200 -0.084 0.000 0.786 151 S HN 0.250 nan 8.310 nan 0.000 0.492 152 L N 0.318 121.562 121.223 0.035 0.000 2.599 152 L HA 0.159 4.500 4.340 0.001 0.000 0.230 152 L C 1.519 178.419 176.870 0.049 0.000 1.141 152 L CA 0.571 55.432 54.840 0.036 0.000 0.877 152 L CB -0.172 41.920 42.059 0.056 0.000 1.009 152 L HN 0.118 nan 8.230 nan 0.000 0.447 153 R N -1.099 119.435 120.500 0.056 0.000 2.629 153 R HA 0.190 4.531 4.340 0.001 0.000 0.386 153 R C -0.232 176.142 176.300 0.123 0.000 1.071 153 R CA -0.092 56.064 56.100 0.094 0.000 1.104 153 R CB 0.825 31.182 30.300 0.095 0.000 1.370 153 R HN -0.003 nan 8.270 nan 0.000 0.574 154 T N 0.963 115.538 114.554 0.034 0.000 2.795 154 T HA 0.301 4.652 4.350 0.001 0.000 0.282 154 T C 0.133 174.772 174.700 -0.102 0.000 0.980 154 T CA -0.417 61.638 62.100 -0.075 0.000 1.012 154 T CB 1.674 70.412 68.868 -0.216 0.000 0.936 154 T HN 0.172 nan 8.240 nan 0.000 0.457 155 S N 2.182 117.838 115.700 -0.073 0.000 2.726 155 S HA 0.861 5.332 4.470 0.001 0.000 0.308 155 S C -1.082 173.346 174.600 -0.287 0.000 1.115 155 S CA -0.883 57.304 58.200 -0.022 0.000 0.965 155 S CB 0.988 64.343 63.200 0.259 0.000 1.145 155 S HN 0.445 nan 8.310 nan 0.000 0.532 156 F N -0.072 119.968 119.950 0.149 0.000 2.546 156 F HA 0.843 5.371 4.527 0.002 0.000 0.320 156 F C 0.493 176.349 175.800 0.093 0.000 1.076 156 F CA -0.510 57.544 58.000 0.091 0.000 0.928 156 F CB 2.240 41.300 39.000 0.101 0.000 1.189 156 F HN 1.012 nan 8.300 nan 0.000 0.465 157 A N 1.040 123.945 122.820 0.141 0.000 2.532 157 A HA 0.860 5.180 4.320 0.001 0.000 0.290 157 A C -1.797 175.722 177.584 -0.109 0.000 1.143 157 A CA -0.796 51.274 52.037 0.054 0.000 0.728 157 A CB 1.517 20.536 19.000 0.031 0.000 1.317 157 A HN 0.466 nan 8.150 nan 0.000 0.414 158 V N 0.976 120.847 119.914 -0.072 0.000 2.350 158 V HA 0.523 4.644 4.120 0.001 0.000 0.276 158 V C -0.656 175.341 176.094 -0.161 0.000 1.028 158 V CA -0.290 61.949 62.300 -0.101 0.000 0.860 158 V CB 1.048 32.890 31.823 0.032 0.000 0.990 158 V HN 0.615 nan 8.190 nan 0.000 0.453 159 V N 4.992 124.770 119.914 -0.226 0.000 2.577 159 V HA 0.473 4.594 4.120 0.001 0.000 0.303 159 V C 0.138 176.136 176.094 -0.159 0.000 1.042 159 V CA -0.955 61.185 62.300 -0.267 0.000 0.872 159 V CB 1.842 33.347 31.823 -0.529 0.000 0.998 159 V HN 0.953 nan 8.190 nan 0.000 0.423 160 N N 3.854 122.490 118.700 -0.107 0.000 2.707 160 N HA -0.220 4.520 4.740 0.001 0.000 0.253 160 N C 1.207 176.684 175.510 -0.055 0.000 0.998 160 N CA 1.560 54.569 53.050 -0.067 0.000 0.751 160 N CB -0.974 37.474 38.487 -0.064 0.000 0.920 160 N HN 1.589 nan 8.380 nan 0.000 0.539 161 G N -1.610 107.165 108.800 -0.042 0.000 2.168 161 G HA2 -0.324 3.637 3.960 0.001 0.000 0.263 161 G HA3 -0.324 3.637 3.960 0.001 0.000 0.263 161 G C -0.258 174.626 174.900 -0.027 0.000 0.977 161 G CA 0.754 45.842 45.100 -0.020 0.000 0.659 161 G HN 0.486 nan 8.290 nan 0.000 0.533 162 E N 0.401 120.565 120.200 -0.059 0.000 2.238 162 E HA 0.456 4.807 4.350 0.001 0.000 0.267 162 E C -2.694 173.828 176.600 -0.130 0.000 0.887 162 E CA -2.131 54.225 56.400 -0.072 0.000 0.769 162 E CB 2.074 31.731 29.700 -0.072 0.000 1.187 162 E HN 0.056 nan 8.360 nan 0.000 0.416 163 P HA 0.026 nan 4.420 nan 0.000 0.268 163 P C -0.477 176.722 177.300 -0.168 0.000 1.204 163 P CA -0.106 62.755 63.100 -0.399 0.000 0.768 163 P CB 0.554 31.890 31.700 -0.607 0.000 0.842 164 V N 0.293 120.139 119.914 -0.113 0.000 3.078 164 V HA 0.482 4.602 4.120 0.001 0.000 0.311 164 V C -0.706 175.437 176.094 0.081 0.000 1.138 164 V CA -1.112 61.191 62.300 0.005 0.000 1.007 164 V CB 1.912 33.688 31.823 -0.078 0.000 1.045 164 V HN 0.326 nan 8.190 nan 0.000 0.432 165 Q N 2.432 122.290 119.800 0.097 0.000 2.279 165 Q HA 0.393 4.734 4.340 0.001 0.000 0.256 165 Q C -0.796 175.251 176.000 0.078 0.000 0.937 165 Q CA -0.160 55.611 55.803 -0.053 0.000 0.933 165 Q CB 1.092 29.843 28.738 0.022 0.000 1.189 165 Q HN 0.727 nan 8.270 nan 0.000 0.417 166 N N 3.635 122.305 118.700 -0.051 0.000 2.511 166 N HA 0.217 4.958 4.740 0.001 0.000 0.249 166 N C -1.324 174.024 175.510 -0.270 0.000 0.971 166 N CA -0.415 52.587 53.050 -0.079 0.000 0.938 166 N CB 0.696 39.179 38.487 -0.006 0.000 1.131 166 N HN 0.467 nan 8.380 nan 0.000 0.505 167 I N 4.040 124.492 120.570 -0.197 0.000 2.325 167 I HA 0.188 4.359 4.170 0.001 0.000 0.291 167 I C 0.391 176.351 176.117 -0.261 0.000 1.019 167 I CA -0.451 60.760 61.300 -0.148 0.000 1.302 167 I CB 0.380 38.369 38.000 -0.019 0.000 1.401 167 I HN 0.354 nan 8.210 nan 0.000 0.485 168 H N 5.759 124.831 119.070 0.004 0.000 2.488 168 H HA 0.178 4.735 4.556 0.001 0.000 0.322 168 H C 0.699 176.033 175.328 0.011 0.000 1.078 168 H CA -0.437 55.615 56.048 0.007 0.000 1.260 168 H CB 1.551 31.321 29.762 0.014 0.000 1.425 168 H HN 0.466 nan 8.280 nan 0.000 0.471 169 E N 2.060 122.324 120.200 0.106 0.000 2.110 169 E HA -0.214 4.137 4.350 0.001 0.000 0.225 169 E C -0.170 176.475 176.600 0.074 0.000 1.063 169 E CA 1.595 58.037 56.400 0.070 0.000 0.906 169 E CB 0.102 29.836 29.700 0.056 0.000 0.795 169 E HN 0.586 nan 8.360 nan 0.000 0.479 170 D N -1.100 119.353 120.400 0.087 0.000 2.645 170 D HA 0.482 5.122 4.640 0.001 0.000 0.228 170 D C -0.843 175.497 176.300 0.067 0.000 1.148 170 D CA -0.485 53.556 54.000 0.068 0.000 0.860 170 D CB 2.732 43.563 40.800 0.052 0.000 1.548 170 D HN 0.091 nan 8.370 nan 0.000 0.460 171 V N -1.529 118.422 119.914 0.061 0.000 3.007 171 V HA 0.705 4.826 4.120 0.001 0.000 0.311 171 V C -2.795 173.350 176.094 0.085 0.000 1.120 171 V CA -1.715 60.612 62.300 0.045 0.000 0.980 171 V CB 1.770 33.619 31.823 0.044 0.000 1.033 171 V HN 0.368 nan 8.190 nan 0.000 0.429 172 P HA 0.550 nan 4.420 nan 0.000 0.280 172 P C -1.393 176.027 177.300 0.200 0.000 1.244 172 P CA 0.082 63.245 63.100 0.106 0.000 0.784 172 P CB 0.982 32.713 31.700 0.052 0.000 0.913 173 F N 1.543 121.516 119.950 0.037 0.000 2.604 173 F HA 0.594 5.122 4.527 0.001 0.000 0.316 173 F C -1.770 174.057 175.800 0.046 0.000 1.136 173 F CA -0.429 57.598 58.000 0.045 0.000 0.989 173 F CB 1.775 40.815 39.000 0.066 0.000 1.258 173 F HN 0.545 nan 8.300 nan 0.000 0.451 174 A N 6.387 128.786 122.820 -0.701 0.000 2.393 174 A HA 0.631 4.952 4.320 0.001 0.000 0.306 174 A C -1.785 175.324 177.584 -0.792 0.000 1.050 174 A CA -0.837 50.898 52.037 -0.503 0.000 0.724 174 A CB 1.544 20.414 19.000 -0.217 0.000 1.248 174 A HN 1.045 nan 8.150 nan 0.000 0.424 175 L N 2.578 123.582 121.223 -0.366 0.000 2.462 175 L HA 0.496 4.837 4.340 0.001 0.000 0.272 175 L C 0.559 177.376 176.870 -0.088 0.000 1.166 175 L CA -0.293 54.452 54.840 -0.158 0.000 0.880 175 L CB 0.805 42.931 42.059 0.111 0.000 1.142 175 L HN 0.818 nan 8.230 nan 0.000 0.473 176 A N 5.885 128.658 122.820 -0.077 0.000 2.310 176 A HA 0.232 4.553 4.320 0.001 0.000 0.300 176 A C -1.062 176.572 177.584 0.083 0.000 1.269 176 A CA -0.285 51.743 52.037 -0.016 0.000 0.909 176 A CB -0.033 18.935 19.000 -0.053 0.000 1.144 176 A HN 0.716 nan 8.150 nan 0.000 0.540 177 Y N 2.517 122.807 120.300 -0.017 0.000 2.360 177 Y HA 0.597 5.148 4.550 0.001 0.000 0.337 177 Y C 0.025 175.928 175.900 0.006 0.000 1.039 177 Y CA -0.282 57.827 58.100 0.015 0.000 1.109 177 Y CB 1.624 40.104 38.460 0.034 0.000 1.201 177 Y HN 0.606 nan 8.280 nan 0.000 0.458 178 S N 4.052 119.364 115.700 -0.646 0.000 2.588 178 S HA 0.451 4.921 4.470 0.001 0.000 0.275 178 S C -1.689 172.526 174.600 -0.641 0.000 1.130 178 S CA -1.139 56.759 58.200 -0.502 0.000 0.855 178 S CB 1.880 64.928 63.200 -0.252 0.000 1.116 178 S HN 0.628 nan 8.310 nan 0.000 0.472 179 E N 1.490 121.468 120.200 -0.371 0.000 2.155 179 E HA 0.588 4.939 4.350 0.001 0.000 0.264 179 E C -0.861 175.647 176.600 -0.154 0.000 0.886 179 E CA -0.720 55.533 56.400 -0.246 0.000 0.752 179 E CB 1.754 31.373 29.700 -0.136 0.000 1.133 179 E HN 0.461 nan 8.360 nan 0.000 0.414 180 V N -0.412 119.418 119.914 -0.141 0.000 3.160 180 V HA 0.558 4.679 4.120 0.001 0.000 0.310 180 V C 0.121 176.167 176.094 -0.080 0.000 1.181 180 V CA -0.930 61.310 62.300 -0.100 0.000 1.047 180 V CB 1.735 33.497 31.823 -0.102 0.000 1.068 180 V HN 0.487 nan 8.190 nan 0.000 0.441 181 T N 0.944 115.467 114.554 -0.052 0.000 2.856 181 T HA 0.134 4.485 4.350 0.001 0.000 0.306 181 T C 1.102 175.794 174.700 -0.012 0.000 1.062 181 T CA 0.865 62.946 62.100 -0.031 0.000 1.083 181 T CB 0.992 69.850 68.868 -0.018 0.000 0.984 181 T HN 1.017 nan 8.240 nan 0.000 0.542 182 E N 0.708 120.916 120.200 0.013 0.000 2.058 182 E HA -0.222 4.129 4.350 0.001 0.000 0.194 182 E C 1.863 178.544 176.600 0.135 0.000 0.997 182 E CA 1.402 57.853 56.400 0.085 0.000 0.801 182 E CB 0.038 29.804 29.700 0.109 0.000 0.746 182 E HN 0.631 nan 8.360 nan 0.000 0.450 183 E N 0.711 120.954 120.200 0.071 0.000 2.110 183 E HA -0.189 4.162 4.350 0.001 0.000 0.193 183 E C 1.741 178.366 176.600 0.042 0.000 0.988 183 E CA 1.496 57.927 56.400 0.052 0.000 0.804 183 E CB 0.029 29.740 29.700 0.019 0.000 0.745 183 E HN 0.335 nan 8.360 nan 0.000 0.458 184 E N -0.360 119.853 120.200 0.020 0.000 2.110 184 E HA -0.188 4.163 4.350 0.001 0.000 0.193 184 E C 2.002 178.606 176.600 0.008 0.000 0.988 184 E CA 0.888 57.286 56.400 -0.002 0.000 0.804 184 E CB -0.189 29.495 29.700 -0.026 0.000 0.745 184 E HN 0.354 nan 8.360 nan 0.000 0.458 185 A N 1.527 124.369 122.820 0.036 0.000 1.933 185 A HA -0.200 4.121 4.320 0.001 0.000 0.218 185 A C 2.039 179.734 177.584 0.185 0.000 1.175 185 A CA 1.196 53.264 52.037 0.051 0.000 0.628 185 A CB -0.362 18.626 19.000 -0.020 0.000 0.814 185 A HN 0.085 nan 8.150 nan 0.000 0.444 186 R N -0.971 119.675 120.500 0.244 0.000 2.096 186 R HA -0.126 4.215 4.340 0.001 0.000 0.235 186 R C 2.101 178.440 176.300 0.064 0.000 1.127 186 R CA 1.388 57.589 56.100 0.169 0.000 0.968 186 R CB -0.181 30.140 30.300 0.036 0.000 0.861 186 R HN 0.437 nan 8.270 nan 0.000 0.440 187 E N 0.988 121.203 120.200 0.025 0.000 2.076 187 E HA -0.024 4.327 4.350 0.001 0.000 0.190 187 E C 2.012 178.587 176.600 -0.041 0.000 0.979 187 E CA 0.649 57.041 56.400 -0.013 0.000 0.807 187 E CB -0.139 29.547 29.700 -0.023 0.000 0.761 187 E HN 0.220 nan 8.360 nan 0.000 0.454 188 L N -0.022 121.169 121.223 -0.055 0.000 2.013 188 L HA -0.217 4.124 4.340 0.001 0.000 0.212 188 L C 2.424 179.178 176.870 -0.195 0.000 1.073 188 L CA 1.128 55.893 54.840 -0.125 0.000 0.753 188 L CB -0.464 41.512 42.059 -0.138 0.000 0.890 188 L HN 0.042 nan 8.230 nan 0.000 0.432 189 V N -1.137 118.702 119.914 -0.125 0.000 2.546 189 V HA -0.345 3.776 4.120 0.001 0.000 0.254 189 V C 2.626 178.663 176.094 -0.096 0.000 1.076 189 V CA 2.051 64.273 62.300 -0.130 0.000 1.087 189 V CB -0.278 31.638 31.823 0.154 0.000 0.674 189 V HN 0.444 nan 8.190 nan 0.000 0.470 190 S N -0.122 115.544 115.700 -0.056 0.000 2.388 190 S HA -0.117 4.353 4.470 0.001 0.000 0.223 190 S C 2.260 176.813 174.600 -0.078 0.000 1.034 190 S CA 1.426 59.607 58.200 -0.032 0.000 0.963 190 S CB -0.202 62.986 63.200 -0.020 0.000 0.827 190 S HN 0.811 nan 8.310 nan 0.000 0.481 191 S N 1.415 117.046 115.700 -0.116 0.000 2.447 191 S HA 0.105 4.576 4.470 0.001 0.000 0.233 191 S C 1.732 176.226 174.600 -0.177 0.000 1.006 191 S CA 0.606 58.732 58.200 -0.124 0.000 0.957 191 S CB -0.660 62.471 63.200 -0.114 0.000 0.773 191 S HN 0.534 nan 8.310 nan 0.000 0.507 192 L N 1.579 122.616 121.223 -0.310 0.000 2.465 192 L HA 0.147 4.488 4.340 0.001 0.000 0.224 192 L C 0.203 176.947 176.870 -0.210 0.000 1.145 192 L CA 0.067 54.642 54.840 -0.442 0.000 0.834 192 L CB -0.341 41.094 42.059 -1.039 0.000 0.944 192 L HN 0.204 nan 8.230 nan 0.000 0.451 193 V N 1.899 121.783 119.914 -0.051 0.000 2.397 193 V HA 0.114 4.234 4.120 0.001 0.000 0.262 193 V C 0.103 176.195 176.094 -0.004 0.000 1.047 193 V CA 0.122 62.489 62.300 0.111 0.000 1.003 193 V CB 0.374 32.278 31.823 0.135 0.000 1.037 193 V HN 0.237 nan 8.190 nan 0.000 0.480 194 Q N 5.614 125.382 119.800 -0.054 0.000 2.456 194 Q HA 0.514 4.855 4.340 0.001 0.000 0.283 194 Q C -2.699 173.190 176.000 -0.185 0.000 1.084 194 Q CA -1.922 53.809 55.803 -0.121 0.000 0.801 194 Q CB 2.854 31.495 28.738 -0.162 0.000 1.434 194 Q HN 0.333 nan 8.270 nan 0.000 0.419 195 P HA 0.216 nan 4.420 nan 0.000 0.270 195 P C -0.823 176.383 177.300 -0.157 0.000 1.223 195 P CA 0.061 63.145 63.100 -0.028 0.000 0.785 195 P CB 0.384 32.090 31.700 0.010 0.000 0.923 196 F N -0.079 119.931 119.950 0.100 0.000 2.443 196 F HA 0.217 4.744 4.527 0.001 0.000 0.335 196 F C 1.045 176.848 175.800 0.006 0.000 1.104 196 F CA -0.399 57.642 58.000 0.067 0.000 1.013 196 F CB 0.971 40.032 39.000 0.100 0.000 1.136 196 F HN 0.179 nan 8.300 nan 0.000 0.470 197 D N 3.119 123.623 120.400 0.173 0.000 2.338 197 D HA 0.078 4.718 4.640 0.001 0.000 0.255 197 D C 0.774 177.154 176.300 0.134 0.000 1.237 197 D CA -0.029 54.034 54.000 0.105 0.000 0.883 197 D CB 0.976 41.821 40.800 0.074 0.000 1.087 197 D HN 0.330 nan 8.370 nan 0.000 0.485 198 L N 3.815 125.088 121.223 0.085 0.000 2.456 198 L HA -0.036 4.305 4.340 0.001 0.000 0.224 198 L C 1.903 178.946 176.870 0.290 0.000 1.148 198 L CA 1.143 56.075 54.840 0.152 0.000 0.825 198 L CB -0.525 41.568 42.059 0.057 0.000 0.937 198 L HN 0.542 nan 8.230 nan 0.000 0.450 199 E N -1.402 118.923 120.200 0.208 0.000 2.502 199 E HA 0.048 4.399 4.350 0.001 0.000 0.194 199 E C -0.211 176.483 176.600 0.155 0.000 1.062 199 E CA 0.051 56.571 56.400 0.201 0.000 0.867 199 E CB 0.484 30.273 29.700 0.150 0.000 0.888 199 E HN 0.132 nan 8.360 nan 0.000 0.510 200 V N 1.572 121.566 119.914 0.134 0.000 2.409 200 V HA 0.391 4.511 4.120 0.001 0.000 0.290 200 V C -0.153 175.992 176.094 0.084 0.000 1.017 200 V CA -0.767 61.579 62.300 0.076 0.000 0.841 200 V CB 1.292 33.158 31.823 0.073 0.000 1.003 200 V HN 0.078 nan 8.190 nan 0.000 0.426 201 A N 7.816 130.644 122.820 0.013 0.000 2.316 201 A HA 0.878 5.198 4.320 0.001 0.000 0.284 201 A C -2.339 175.268 177.584 0.038 0.000 1.115 201 A CA -1.431 50.628 52.037 0.037 0.000 0.812 201 A CB 0.490 19.521 19.000 0.051 0.000 1.064 201 A HN 0.601 nan 8.150 nan 0.000 0.489 202 P HA 0.275 nan 4.420 nan 0.000 0.284 202 P C -0.521 176.871 177.300 0.154 0.000 1.253 202 P CA -0.242 62.932 63.100 0.123 0.000 0.800 202 P CB 0.854 32.647 31.700 0.155 0.000 0.961 203 L N 3.701 124.966 121.223 0.070 0.000 2.955 203 L HA 0.358 4.698 4.340 0.001 0.000 0.238 203 L C 0.809 177.583 176.870 -0.161 0.000 1.359 203 L CA 0.078 54.878 54.840 -0.067 0.000 1.214 203 L CB -0.750 41.203 42.059 -0.175 0.000 1.600 203 L HN 0.362 nan 8.230 nan 0.000 0.442 204 I N 0.672 121.321 120.570 0.131 0.000 2.722 204 I HA 0.477 4.647 4.170 0.001 0.000 0.295 204 I C -1.000 175.323 176.117 0.343 0.000 1.161 204 I CA -0.600 60.800 61.300 0.167 0.000 1.032 204 I CB 1.674 39.708 38.000 0.056 0.000 1.244 204 I HN 0.277 nan 8.210 nan 0.000 0.421 205 R N 5.879 126.563 120.500 0.306 0.000 2.771 205 R HA 0.868 5.209 4.340 0.001 0.000 0.274 205 R C -2.138 174.203 176.300 0.069 0.000 0.987 205 R CA -0.929 55.309 56.100 0.230 0.000 0.908 205 R CB 2.153 32.567 30.300 0.190 0.000 1.213 205 R HN 0.302 nan 8.270 nan 0.000 0.468 206 V N 1.052 120.970 119.914 0.007 0.000 2.686 206 V HA 0.460 4.581 4.120 0.001 0.000 0.306 206 V C -0.765 175.336 176.094 0.012 0.000 1.065 206 V CA -0.770 61.469 62.300 -0.101 0.000 0.894 206 V CB 2.251 33.828 31.823 -0.410 0.000 1.004 206 V HN 0.894 nan 8.190 nan 0.000 0.424 207 S N 4.445 120.230 115.700 0.142 0.000 2.519 207 S HA 0.693 5.163 4.470 0.001 0.000 0.309 207 S C -0.861 173.802 174.600 0.105 0.000 1.100 207 S CA -0.419 57.844 58.200 0.106 0.000 1.059 207 S CB 1.590 64.837 63.200 0.077 0.000 1.008 207 S HN 0.598 nan 8.310 nan 0.000 0.478 208 L N 4.945 126.234 121.223 0.109 0.000 2.265 208 L HA 0.582 4.923 4.340 0.001 0.000 0.289 208 L C -1.425 175.479 176.870 0.056 0.000 1.033 208 L CA -0.302 54.628 54.840 0.151 0.000 0.814 208 L CB 0.380 42.610 42.059 0.284 0.000 1.203 208 L HN 0.592 nan 8.230 nan 0.000 0.423 209 L N 5.366 126.598 121.223 0.016 0.000 2.294 209 L HA 0.474 4.815 4.340 0.001 0.000 0.283 209 L C -0.005 176.845 176.870 -0.033 0.000 1.015 209 L CA -0.676 54.100 54.840 -0.107 0.000 0.831 209 L CB 1.213 43.187 42.059 -0.142 0.000 1.217 209 L HN 0.563 nan 8.230 nan 0.000 0.420 210 K N 4.269 124.617 120.400 -0.086 0.000 2.338 210 K HA 0.217 4.538 4.320 0.001 0.000 0.290 210 K C 0.958 177.434 176.600 -0.206 0.000 1.069 210 K CA -0.165 56.037 56.287 -0.141 0.000 0.941 210 K CB 0.616 33.095 32.500 -0.036 0.000 1.023 210 K HN 0.763 nan 8.250 nan 0.000 0.477 211 I N 0.481 120.908 120.570 -0.238 0.000 3.968 211 I HA 0.400 4.571 4.170 0.001 0.000 0.328 211 I C 0.516 176.543 176.117 -0.150 0.000 1.290 211 I CA -0.438 60.762 61.300 -0.166 0.000 1.163 211 I CB 0.738 38.652 38.000 -0.144 0.000 1.024 211 I HN 0.561 nan 8.210 nan 0.000 0.413 212 G N 0.563 109.233 108.800 -0.217 0.000 2.489 212 G HA2 0.331 4.292 3.960 0.001 0.000 0.291 212 G HA3 0.331 4.292 3.960 0.001 0.000 0.291 212 G C -0.342 174.432 174.900 -0.211 0.000 1.487 212 G CA -0.266 44.736 45.100 -0.163 0.000 0.795 212 G HN 0.109 nan 8.290 nan 0.000 0.513 213 E N 0.358 120.487 120.200 -0.118 0.000 2.786 213 E HA -0.256 4.095 4.350 0.001 0.000 0.237 213 E C 0.587 177.125 176.600 -0.103 0.000 0.950 213 E CA 2.449 58.803 56.400 -0.078 0.000 1.380 213 E CB -0.124 29.555 29.700 -0.036 0.000 1.351 213 E HN 0.433 nan 8.360 nan 0.000 0.484 214 D N 0.377 120.724 120.400 -0.088 0.000 2.980 214 D HA 0.217 4.857 4.640 0.001 0.000 0.333 214 D C -0.648 175.609 176.300 -0.071 0.000 1.356 214 D CA -0.063 53.924 54.000 -0.022 0.000 0.847 214 D CB 0.247 41.087 40.800 0.066 0.000 1.122 214 D HN 0.046 nan 8.370 nan 0.000 0.475 215 R N 0.827 121.127 120.500 -0.334 0.000 2.532 215 R HA 0.457 4.798 4.340 0.001 0.000 0.297 215 R C -1.142 174.874 176.300 -0.474 0.000 0.984 215 R CA -0.633 55.329 56.100 -0.231 0.000 0.884 215 R CB 1.826 32.044 30.300 -0.137 0.000 1.182 215 R HN -0.027 nan 8.270 nan 0.000 0.442 216 Y N 0.027 120.313 120.300 -0.024 0.000 2.553 216 Y HA 0.444 4.995 4.550 0.001 0.000 0.347 216 Y C -0.129 175.688 175.900 -0.138 0.000 1.019 216 Y CA -1.054 57.017 58.100 -0.049 0.000 1.032 216 Y CB 2.328 40.805 38.460 0.027 0.000 1.284 216 Y HN 0.133 nan 8.280 nan 0.000 0.466 217 V N 3.665 123.542 119.914 -0.061 0.000 2.409 217 V HA 0.326 4.447 4.120 0.001 0.000 0.291 217 V C -0.916 175.145 176.094 -0.055 0.000 1.020 217 V CA -0.695 61.472 62.300 -0.222 0.000 0.848 217 V CB 1.570 33.021 31.823 -0.620 0.000 0.990 217 V HN 0.533 nan 8.190 nan 0.000 0.430 218 L N 6.306 127.512 121.223 -0.029 0.000 2.255 218 L HA 0.531 4.871 4.340 0.001 0.000 0.289 218 L C -0.751 176.133 176.870 0.024 0.000 1.046 218 L CA 0.038 54.873 54.840 -0.008 0.000 0.816 218 L CB 0.603 42.603 42.059 -0.099 0.000 1.197 218 L HN 0.571 nan 8.230 nan 0.000 0.427 219 F N 4.657 124.561 119.950 -0.077 0.000 2.415 219 F HA 0.652 5.180 4.527 0.001 0.000 0.348 219 F C -0.277 175.479 175.800 -0.073 0.000 1.119 219 F CA -0.019 57.947 58.000 -0.058 0.000 1.069 219 F CB 1.108 40.079 39.000 -0.049 0.000 1.124 219 F HN 0.502 nan 8.300 nan 0.000 0.472 220 T N 5.396 119.466 114.554 -0.807 0.000 2.861 220 T HA 0.356 4.707 4.350 0.001 0.000 0.287 220 T C -1.733 172.501 174.700 -0.778 0.000 1.003 220 T CA -0.635 61.094 62.100 -0.618 0.000 0.977 220 T CB 1.577 70.265 68.868 -0.299 0.000 0.996 220 T HN 0.547 nan 8.240 nan 0.000 0.448 221 D N 2.066 122.216 120.400 -0.417 0.000 2.756 221 D HA 0.677 5.318 4.640 0.001 0.000 0.226 221 D C -0.928 175.446 176.300 0.124 0.000 1.186 221 D CA -0.613 53.308 54.000 -0.132 0.000 0.845 221 D CB 1.742 42.570 40.800 0.046 0.000 1.610 221 D HN 0.669 nan 8.370 nan 0.000 0.465 222 M N 0.563 120.190 119.600 0.045 0.000 2.644 222 M HA 0.392 4.872 4.480 0.001 0.000 0.273 222 M C -1.534 174.554 176.300 -0.353 0.000 1.253 222 M CA -0.897 54.272 55.300 -0.217 0.000 0.852 222 M CB 2.731 35.229 32.600 -0.170 0.000 1.708 222 M HN 0.282 nan 8.290 nan 0.000 0.471 223 H N 1.319 119.965 119.070 -0.706 0.000 2.502 223 H HA 0.218 4.775 4.556 0.001 0.000 0.327 223 H C -0.032 175.195 175.328 -0.169 0.000 1.099 223 H CA 0.289 56.083 56.048 -0.423 0.000 1.323 223 H CB 0.950 30.412 29.762 -0.499 0.000 1.450 223 H HN 0.849 nan 8.280 nan 0.000 0.502 224 H N 3.079 121.876 119.070 -0.455 0.000 2.545 224 H HA -0.112 4.445 4.556 0.001 0.000 0.282 224 H C 1.762 176.995 175.328 -0.158 0.000 1.020 224 H CA 1.426 57.330 56.048 -0.241 0.000 1.243 224 H CB 0.293 29.946 29.762 -0.182 0.000 1.377 224 H HN 0.629 nan 8.280 nan 0.000 0.581 225 S N 0.407 116.195 115.700 0.147 0.000 2.474 225 S HA -0.103 4.368 4.470 0.001 0.000 0.235 225 S C 1.568 176.222 174.600 0.089 0.000 0.997 225 S CA 1.015 59.283 58.200 0.114 0.000 0.949 225 S CB -0.390 62.852 63.200 0.070 0.000 0.766 225 S HN 0.428 nan 8.310 nan 0.000 0.517 226 I N -1.818 118.772 120.570 0.034 0.000 3.947 226 I HA 0.603 4.773 4.170 0.001 0.000 0.327 226 I C 0.045 176.055 176.117 -0.179 0.000 1.519 226 I CA -0.651 60.582 61.300 -0.111 0.000 1.122 226 I CB 0.366 38.342 38.000 -0.040 0.000 1.146 226 I HN 0.169 nan 8.210 nan 0.000 0.442 227 S N 0.515 116.125 115.700 -0.151 0.000 2.672 227 S HA 0.779 5.250 4.470 0.001 0.000 0.271 227 S C -2.094 172.417 174.600 -0.148 0.000 1.171 227 S CA -0.098 58.001 58.200 -0.168 0.000 0.817 227 S CB 1.444 64.520 63.200 -0.207 0.000 1.150 227 S HN 0.565 nan 8.310 nan 0.000 0.478 228 D N -0.898 119.415 120.400 -0.144 0.000 2.779 228 D HA 0.375 5.016 4.640 0.001 0.000 0.331 228 D C 1.109 177.354 176.300 -0.091 0.000 1.331 228 D CA 0.014 53.957 54.000 -0.095 0.000 0.866 228 D CB 0.039 40.938 40.800 0.165 0.000 1.409 228 D HN 0.696 nan 8.370 nan 0.000 0.486 229 G N -0.288 108.497 108.800 -0.024 0.000 2.491 229 G HA2 -0.219 3.741 3.960 0.001 0.000 0.218 229 G HA3 -0.219 3.741 3.960 0.001 0.000 0.218 229 G C 1.461 176.342 174.900 -0.032 0.000 1.180 229 G CA 1.687 46.770 45.100 -0.029 0.000 0.774 229 G HN 0.332 nan 8.290 nan 0.000 0.562 230 V N 1.066 120.975 119.914 -0.008 0.000 2.343 230 V HA -0.195 3.925 4.120 0.001 0.000 0.247 230 V C 3.152 179.226 176.094 -0.032 0.000 1.051 230 V CA 2.287 64.575 62.300 -0.020 0.000 1.036 230 V CB -0.519 31.296 31.823 -0.014 0.000 0.654 230 V HN 0.390 nan 8.190 nan 0.000 0.451 231 S N 0.013 115.697 115.700 -0.026 0.000 2.382 231 S HA -0.186 4.284 4.470 0.001 0.000 0.228 231 S C 2.191 176.734 174.600 -0.096 0.000 1.027 231 S CA 1.631 59.792 58.200 -0.064 0.000 0.991 231 S CB -0.319 62.841 63.200 -0.068 0.000 0.823 231 S HN 0.622 nan 8.310 nan 0.000 0.469 232 S N 1.320 116.964 115.700 -0.093 0.000 2.382 232 S HA -0.064 4.407 4.470 0.001 0.000 0.228 232 S C 2.202 176.763 174.600 -0.065 0.000 1.027 232 S CA 1.110 59.256 58.200 -0.090 0.000 0.991 232 S CB -0.867 62.273 63.200 -0.101 0.000 0.823 232 S HN 0.670 nan 8.310 nan 0.000 0.469 233 G N 1.742 110.509 108.800 -0.055 0.000 2.418 233 G HA2 -0.131 3.829 3.960 0.001 0.000 0.217 233 G HA3 -0.131 3.829 3.960 0.001 0.000 0.217 233 G C 1.339 176.221 174.900 -0.031 0.000 1.158 233 G CA 0.654 45.730 45.100 -0.040 0.000 0.771 233 G HN 0.482 nan 8.290 nan 0.000 0.545 234 I N 0.042 120.587 120.570 -0.042 0.000 2.127 234 I HA -0.146 4.025 4.170 0.001 0.000 0.241 234 I C 2.607 178.714 176.117 -0.018 0.000 1.075 234 I CA 0.497 61.777 61.300 -0.033 0.000 1.334 234 I CB -0.261 37.703 38.000 -0.060 0.000 1.040 234 I HN 0.067 nan 8.210 nan 0.000 0.405 235 L N -0.013 121.177 121.223 -0.054 0.000 2.042 235 L HA -0.231 4.110 4.340 0.001 0.000 0.210 235 L C 2.340 179.229 176.870 0.033 0.000 1.076 235 L CA 1.702 56.530 54.840 -0.020 0.000 0.749 235 L CB -1.175 40.856 42.059 -0.046 0.000 0.893 235 L HN 0.239 nan 8.230 nan 0.000 0.432 236 L N -0.437 120.793 121.223 0.012 0.000 1.994 236 L HA -0.119 4.221 4.340 0.001 0.000 0.208 236 L C 2.512 179.447 176.870 0.108 0.000 1.071 236 L CA 2.137 57.002 54.840 0.041 0.000 0.745 236 L CB -1.101 40.958 42.059 -0.000 0.000 0.892 236 L HN 0.196 nan 8.230 nan 0.000 0.431 237 A N -0.817 122.039 122.820 0.059 0.000 1.883 237 A HA -0.226 4.095 4.320 0.001 0.000 0.217 237 A C 2.174 179.792 177.584 0.057 0.000 1.186 237 A CA 1.928 53.995 52.037 0.051 0.000 0.624 237 A CB -0.652 18.360 19.000 0.021 0.000 0.822 237 A HN 0.638 nan 8.150 nan 0.000 0.444 238 E N -2.022 118.217 120.200 0.066 0.000 2.152 238 E HA -0.181 4.170 4.350 0.001 0.000 0.192 238 E C 1.732 178.352 176.600 0.033 0.000 0.983 238 E CA 0.857 57.289 56.400 0.052 0.000 0.818 238 E CB -0.204 29.555 29.700 0.099 0.000 0.758 238 E HN 0.860 nan 8.360 nan 0.000 0.467 239 W N 1.404 122.625 121.300 -0.132 0.000 2.355 239 W HA -0.231 4.430 4.660 0.001 0.000 0.309 239 W C 1.986 178.431 176.519 -0.123 0.000 1.206 239 W CA 1.286 58.496 57.345 -0.226 0.000 1.284 239 W CB -0.337 28.889 29.460 -0.390 0.000 1.145 239 W HN -0.215 nan 8.180 nan 0.000 0.502 240 V N 0.997 120.932 119.914 0.035 0.000 2.332 240 V HA -0.378 3.743 4.120 0.001 0.000 0.248 240 V C 2.321 178.318 176.094 -0.162 0.000 1.055 240 V CA 2.486 64.716 62.300 -0.117 0.000 1.038 240 V CB -1.099 30.759 31.823 0.059 0.000 0.651 240 V HN 0.307 nan 8.190 nan 0.000 0.450 241 Q N -0.631 119.111 119.800 -0.097 0.000 2.050 241 Q HA -0.152 4.188 4.340 0.001 0.000 0.202 241 Q C 2.323 178.244 176.000 -0.132 0.000 0.980 241 Q CA 1.587 57.337 55.803 -0.088 0.000 0.840 241 Q CB -0.242 28.465 28.738 -0.053 0.000 0.898 241 Q HN 0.539 nan 8.270 nan 0.000 0.424 242 L N -0.675 120.442 121.223 -0.178 0.000 2.083 242 L HA -0.215 4.126 4.340 0.001 0.000 0.209 242 L C 2.326 179.034 176.870 -0.270 0.000 1.083 242 L CA 1.193 55.909 54.840 -0.207 0.000 0.752 242 L CB -0.462 41.471 42.059 -0.209 0.000 0.899 242 L HN 0.283 nan 8.230 nan 0.000 0.433 243 Y N 0.938 120.906 120.300 -0.553 0.000 2.207 243 Y HA -0.301 4.250 4.550 0.001 0.000 0.287 243 Y C 2.512 178.213 175.900 -0.331 0.000 1.156 243 Y CA 1.655 59.418 58.100 -0.561 0.000 1.182 243 Y CB -0.049 37.860 38.460 -0.918 0.000 0.979 243 Y HN 0.232 nan 8.280 nan 0.000 0.521 244 Q N -0.707 119.032 119.800 -0.101 0.000 2.472 244 Q HA 0.120 4.460 4.340 0.001 0.000 0.208 244 Q C 1.421 177.344 176.000 -0.127 0.000 0.958 244 Q CA 0.631 56.384 55.803 -0.083 0.000 0.932 244 Q CB 0.247 28.960 28.738 -0.042 0.000 1.007 244 Q HN 0.662 nan 8.270 nan 0.000 0.508 245 G N 1.311 110.016 108.800 -0.157 0.000 2.132 245 G HA2 -0.184 3.776 3.960 0.001 0.000 0.234 245 G HA3 -0.184 3.776 3.960 0.001 0.000 0.234 245 G C -0.528 174.312 174.900 -0.099 0.000 0.989 245 G CA -0.052 44.967 45.100 -0.136 0.000 0.676 245 G HN 0.243 nan 8.290 nan 0.000 0.522 246 D N -0.268 120.077 120.400 -0.091 0.000 2.362 246 D HA 0.447 5.088 4.640 0.001 0.000 0.242 246 D C 0.752 177.011 176.300 -0.068 0.000 1.132 246 D CA 0.001 53.959 54.000 -0.070 0.000 0.907 246 D CB 1.668 42.431 40.800 -0.060 0.000 1.195 246 D HN 0.144 nan 8.370 nan 0.000 0.429 247 V N 2.390 122.270 119.914 -0.056 0.000 2.407 247 V HA 0.278 4.399 4.120 0.001 0.000 0.278 247 V C 0.451 176.517 176.094 -0.047 0.000 1.037 247 V CA -0.694 61.574 62.300 -0.052 0.000 0.900 247 V CB 0.936 32.731 31.823 -0.046 0.000 0.983 247 V HN 0.267 nan 8.190 nan 0.000 0.459 248 L N 6.629 127.822 121.223 -0.050 0.000 2.360 248 L HA 0.540 4.881 4.340 0.001 0.000 0.271 248 L C -1.803 175.043 176.870 -0.040 0.000 1.057 248 L CA -1.690 53.124 54.840 -0.042 0.000 0.803 248 L CB 1.296 43.328 42.059 -0.046 0.000 1.207 248 L HN 0.478 nan 8.230 nan 0.000 0.445 249 P HA 0.124 nan 4.420 nan 0.000 0.275 249 P C -0.853 176.429 177.300 -0.030 0.000 1.228 249 P CA -0.490 62.594 63.100 -0.027 0.000 0.786 249 P CB 0.649 32.336 31.700 -0.021 0.000 0.927 250 E N 1.417 121.601 120.200 -0.028 0.000 2.398 250 E HA 0.144 4.495 4.350 0.001 0.000 0.263 250 E C -0.085 176.504 176.600 -0.019 0.000 1.046 250 E CA -0.160 56.223 56.400 -0.029 0.000 0.908 250 E CB 0.488 30.173 29.700 -0.024 0.000 0.963 250 E HN 0.406 nan 8.360 nan 0.000 0.431 251 L N 3.304 124.516 121.223 -0.018 0.000 2.261 251 L HA 0.279 4.620 4.340 0.001 0.000 0.289 251 L C 1.897 178.771 176.870 0.006 0.000 1.059 251 L CA -0.219 54.623 54.840 0.003 0.000 0.816 251 L CB 0.842 42.912 42.059 0.018 0.000 1.191 251 L HN 0.455 nan 8.230 nan 0.000 0.431 252 R N 3.415 123.920 120.500 0.008 0.000 2.075 252 R HA 0.022 4.363 4.340 0.001 0.000 0.232 252 R C 0.407 176.714 176.300 0.012 0.000 1.126 252 R CA 1.084 57.188 56.100 0.006 0.000 0.963 252 R CB 0.357 30.660 30.300 0.005 0.000 0.858 252 R HN 0.412 nan 8.270 nan 0.000 0.435 253 I N 1.167 121.752 120.570 0.024 0.000 2.569 253 I HA 0.316 4.487 4.170 0.001 0.000 0.296 253 I C -0.669 175.493 176.117 0.074 0.000 1.028 253 I CA -0.830 60.492 61.300 0.036 0.000 1.082 253 I CB 1.827 39.840 38.000 0.023 0.000 1.264 253 I HN 0.112 nan 8.210 nan 0.000 0.429 254 Q N 1.820 121.669 119.800 0.083 0.000 2.297 254 Q HA 0.328 4.669 4.340 0.001 0.000 0.269 254 Q C 0.421 176.538 176.000 0.196 0.000 1.051 254 Q CA -0.588 55.289 55.803 0.125 0.000 0.869 254 Q CB 1.302 30.070 28.738 0.050 0.000 1.346 254 Q HN 0.464 nan 8.270 nan 0.000 0.457 255 Y N 1.623 122.004 120.300 0.136 0.000 2.165 255 Y HA -0.292 4.259 4.550 0.001 0.000 0.286 255 Y C 1.710 177.706 175.900 0.161 0.000 1.155 255 Y CA 2.426 60.632 58.100 0.177 0.000 1.164 255 Y CB 0.221 38.724 38.460 0.071 0.000 0.978 255 Y HN 0.643 nan 8.280 nan 0.000 0.513 256 K N -0.785 119.675 120.400 0.100 0.000 2.209 256 K HA -0.176 4.145 4.320 0.001 0.000 0.204 256 K C 1.372 177.940 176.600 -0.054 0.000 1.048 256 K CA 1.781 58.028 56.287 -0.066 0.000 0.940 256 K CB -0.369 31.870 32.500 -0.436 0.000 0.729 256 K HN 0.250 nan 8.250 nan 0.000 0.451 257 D N 0.965 121.362 120.400 -0.005 0.000 2.097 257 D HA -0.159 4.482 4.640 0.001 0.000 0.195 257 D C 1.739 178.115 176.300 0.127 0.000 0.989 257 D CA 1.027 55.060 54.000 0.055 0.000 0.827 257 D CB -0.357 40.477 40.800 0.057 0.000 0.966 257 D HN 0.268 nan 8.370 nan 0.000 0.456 258 F N 2.007 121.945 119.950 -0.021 0.000 2.102 258 F HA -0.136 4.392 4.527 0.001 0.000 0.298 258 F C 2.217 178.060 175.800 0.072 0.000 1.105 258 F CA 1.640 59.656 58.000 0.027 0.000 1.239 258 F CB -0.351 38.608 39.000 -0.069 0.000 0.991 258 F HN -0.067 nan 8.300 nan 0.000 0.474 259 A N 0.111 122.742 122.820 -0.315 0.000 1.902 259 A HA -0.117 4.203 4.320 0.001 0.000 0.217 259 A C 2.317 179.805 177.584 -0.161 0.000 1.181 259 A CA 2.022 53.868 52.037 -0.319 0.000 0.623 259 A CB -1.425 17.529 19.000 -0.077 0.000 0.818 259 A HN 0.307 nan 8.150 nan 0.000 0.443 260 V N -1.889 118.010 119.914 -0.026 0.000 2.343 260 V HA -0.264 3.857 4.120 0.001 0.000 0.247 260 V C 2.198 178.292 176.094 -0.000 0.000 1.051 260 V CA 1.924 64.240 62.300 0.026 0.000 1.036 260 V CB -1.018 30.868 31.823 0.106 0.000 0.654 260 V HN 0.891 nan 8.190 nan 0.000 0.451 261 W N 0.748 121.977 121.300 -0.119 0.000 2.335 261 W HA -0.270 4.391 4.660 0.001 0.000 0.311 261 W C 2.565 179.017 176.519 -0.113 0.000 1.213 261 W CA 2.202 59.491 57.345 -0.094 0.000 1.274 261 W CB -0.342 29.070 29.460 -0.081 0.000 1.148 261 W HN 0.228 nan 8.180 nan 0.000 0.498 262 Q N 0.027 119.540 119.800 -0.479 0.000 2.096 262 Q HA -0.332 4.009 4.340 0.001 0.000 0.204 262 Q C 2.437 178.128 176.000 -0.514 0.000 0.982 262 Q CA 2.196 57.548 55.803 -0.752 0.000 0.850 262 Q CB -0.477 27.923 28.738 -0.563 0.000 0.901 262 Q HN 0.588 nan 8.270 nan 0.000 0.422 263 Q N 0.116 119.710 119.800 -0.344 0.000 2.050 263 Q HA -0.212 4.129 4.340 0.001 0.000 0.202 263 Q C 1.690 177.518 176.000 -0.288 0.000 0.980 263 Q CA 1.673 57.317 55.803 -0.264 0.000 0.840 263 Q CB 0.067 28.710 28.738 -0.158 0.000 0.898 263 Q HN 0.448 nan 8.270 nan 0.000 0.424 264 E N -0.208 119.835 120.200 -0.262 0.000 2.058 264 E HA -0.205 4.146 4.350 0.001 0.000 0.194 264 E C 1.730 178.153 176.600 -0.295 0.000 0.997 264 E CA 1.243 57.511 56.400 -0.219 0.000 0.801 264 E CB -0.265 29.360 29.700 -0.126 0.000 0.746 264 E HN 0.340 nan 8.360 nan 0.000 0.450 265 F N 1.877 121.430 119.950 -0.663 0.000 2.161 265 F HA -0.230 4.298 4.527 0.001 0.000 0.300 265 F C 2.477 177.975 175.800 -0.503 0.000 1.089 265 F CA 1.622 59.222 58.000 -0.667 0.000 1.282 265 F CB -0.379 37.875 39.000 -1.243 0.000 1.010 265 F HN -0.035 nan 8.300 nan 0.000 0.485 266 S N -0.703 114.590 115.700 -0.679 0.000 2.440 266 S HA -0.247 4.223 4.470 0.001 0.000 0.238 266 S C 1.606 175.699 174.600 -0.844 0.000 1.010 266 S CA 1.307 58.801 58.200 -1.176 0.000 0.972 266 S CB -0.525 62.156 63.200 -0.864 0.000 0.774 266 S HN 0.522 nan 8.310 nan 0.000 0.501 267 Q N 1.724 121.231 119.800 -0.488 0.000 2.280 267 Q HA 0.325 4.666 4.340 0.001 0.000 0.201 267 Q C 0.547 176.412 176.000 -0.225 0.000 0.890 267 Q CA 0.098 55.728 55.803 -0.288 0.000 0.947 267 Q CB 0.713 29.330 28.738 -0.203 0.000 1.081 267 Q HN 0.770 nan 8.270 nan 0.000 0.502 268 S N -1.856 113.660 115.700 -0.307 0.000 2.654 268 S HA 0.636 5.107 4.470 0.001 0.000 0.283 268 S C 1.159 175.683 174.600 -0.127 0.000 1.180 268 S CA -0.270 57.791 58.200 -0.231 0.000 1.021 268 S CB 1.702 64.692 63.200 -0.350 0.000 1.018 268 S HN 0.142 nan 8.310 nan 0.000 0.532 269 A N 1.739 124.516 122.820 -0.072 0.000 1.933 269 A HA 0.146 4.466 4.320 0.001 0.000 0.218 269 A C 2.355 179.953 177.584 0.024 0.000 1.175 269 A CA 1.779 53.804 52.037 -0.020 0.000 0.628 269 A CB -1.664 17.313 19.000 -0.038 0.000 0.814 269 A HN 1.374 nan 8.150 nan 0.000 0.444 270 A N -1.067 121.749 122.820 -0.006 0.000 1.908 270 A HA -0.116 4.205 4.320 0.001 0.000 0.218 270 A C 2.063 179.680 177.584 0.054 0.000 1.181 270 A CA 1.666 53.769 52.037 0.109 0.000 0.627 270 A CB -0.761 18.384 19.000 0.241 0.000 0.818 270 A HN 0.732 nan 8.150 nan 0.000 0.445 271 F N -0.183 119.460 119.950 -0.511 0.000 2.134 271 F HA -0.214 4.313 4.527 0.001 0.000 0.299 271 F C 2.335 178.119 175.800 -0.025 0.000 1.097 271 F CA 2.207 59.976 58.000 -0.384 0.000 1.264 271 F CB -0.357 38.242 39.000 -0.669 0.000 1.001 271 F HN 0.484 nan 8.300 nan 0.000 0.479 272 H N 0.538 119.622 119.070 0.023 0.000 2.387 272 H HA -0.122 4.435 4.556 0.001 0.000 0.299 272 H C 1.893 177.167 175.328 -0.089 0.000 1.090 272 H CA 1.474 57.506 56.048 -0.027 0.000 1.332 272 H CB 0.217 29.988 29.762 0.016 0.000 1.386 272 H HN 0.190 nan 8.280 nan 0.000 0.516 273 K N 0.351 120.774 120.400 0.038 0.000 2.103 273 K HA -0.073 4.248 4.320 0.001 0.000 0.204 273 K C 2.211 178.854 176.600 0.071 0.000 1.052 273 K CA 0.477 56.779 56.287 0.026 0.000 0.945 273 K CB -0.056 32.472 32.500 0.047 0.000 0.722 273 K HN 0.424 nan 8.250 nan 0.000 0.443 274 Q N 0.846 120.726 119.800 0.133 0.000 2.061 274 Q HA -0.200 4.140 4.340 0.001 0.000 0.204 274 Q C 2.090 178.065 176.000 -0.043 0.000 0.984 274 Q CA 1.437 57.391 55.803 0.252 0.000 0.846 274 Q CB -0.188 28.762 28.738 0.353 0.000 0.902 274 Q HN 0.506 nan 8.270 nan 0.000 0.421 275 E N 0.367 120.233 120.200 -0.556 0.000 2.051 275 E HA -0.159 4.192 4.350 0.001 0.000 0.192 275 E C 1.953 178.247 176.600 -0.511 0.000 0.991 275 E CA 1.029 56.791 56.400 -1.065 0.000 0.799 275 E CB -0.055 28.996 29.700 -1.081 0.000 0.748 275 E HN 0.283 nan 8.360 nan 0.000 0.449 276 A N 0.490 123.070 122.820 -0.400 0.000 1.917 276 A HA -0.245 4.076 4.320 0.001 0.000 0.219 276 A C 2.086 179.520 177.584 -0.250 0.000 1.182 276 A CA 1.723 53.581 52.037 -0.299 0.000 0.633 276 A CB -1.118 17.735 19.000 -0.245 0.000 0.819 276 A HN 0.646 nan 8.150 nan 0.000 0.448 277 Y N -1.083 118.971 120.300 -0.410 0.000 2.114 277 Y HA -0.288 4.263 4.550 0.001 0.000 0.282 277 Y C 2.078 177.667 175.900 -0.518 0.000 1.165 277 Y CA 2.097 59.824 58.100 -0.622 0.000 1.148 277 Y CB -0.503 37.262 38.460 -1.158 0.000 0.972 277 Y HN 0.465 nan 8.280 nan 0.000 0.504 278 W N -0.020 121.173 121.300 -0.178 0.000 2.418 278 W HA -0.081 4.580 4.660 0.001 0.000 0.292 278 W C 2.240 178.732 176.519 -0.044 0.000 1.213 278 W CA 0.909 58.220 57.345 -0.056 0.000 1.283 278 W CB -0.356 29.236 29.460 0.219 0.000 1.119 278 W HN 0.028 nan 8.180 nan 0.000 0.542 279 L N 0.045 121.315 121.223 0.079 0.000 2.056 279 L HA -0.233 4.108 4.340 0.001 0.000 0.207 279 L C 2.409 179.256 176.870 -0.038 0.000 1.078 279 L CA 1.353 56.222 54.840 0.048 0.000 0.749 279 L CB -1.052 40.986 42.059 -0.035 0.000 0.901 279 L HN 0.089 nan 8.230 nan 0.000 0.433 280 Q N -0.432 119.261 119.800 -0.178 0.000 2.050 280 Q HA -0.181 4.160 4.340 0.001 0.000 0.202 280 Q C 2.206 178.025 176.000 -0.302 0.000 0.980 280 Q CA 2.173 57.837 55.803 -0.232 0.000 0.840 280 Q CB -0.309 28.247 28.738 -0.303 0.000 0.898 280 Q HN 0.418 nan 8.270 nan 0.000 0.424 281 T N 0.288 114.532 114.554 -0.517 0.000 2.737 281 T HA -0.149 4.202 4.350 0.001 0.000 0.269 281 T C 0.599 174.915 174.700 -0.639 0.000 1.040 281 T CA 1.217 62.894 62.100 -0.705 0.000 1.142 281 T CB -0.145 68.101 68.868 -1.037 0.000 0.861 281 T HN 0.193 nan 8.240 nan 0.000 0.456 282 F N -0.091 119.849 119.950 -0.016 0.000 2.855 282 F HA 0.559 5.087 4.527 0.001 0.000 0.317 282 F C 1.602 177.409 175.800 0.013 0.000 1.169 282 F CA -0.732 57.291 58.000 0.038 0.000 1.299 282 F CB 0.073 39.134 39.000 0.102 0.000 0.962 282 F HN 0.044 nan 8.300 nan 0.000 0.506 283 A N -0.396 122.468 122.820 0.073 0.000 1.970 283 A HA -0.068 4.253 4.320 0.001 0.000 0.216 283 A C 1.524 179.136 177.584 0.048 0.000 1.170 283 A CA 1.243 53.307 52.037 0.045 0.000 0.645 283 A CB -0.374 18.617 19.000 -0.014 0.000 0.816 283 A HN 0.390 nan 8.150 nan 0.000 0.447 284 D N 0.289 120.715 120.400 0.043 0.000 2.399 284 D HA 0.067 4.708 4.640 0.001 0.000 0.288 284 D C -0.929 175.412 176.300 0.068 0.000 1.197 284 D CA -0.569 53.455 54.000 0.040 0.000 1.081 284 D CB -0.566 40.245 40.800 0.018 0.000 1.139 284 D HN 0.123 nan 8.370 nan 0.000 0.554 285 D N 0.205 120.641 120.400 0.060 0.000 2.338 285 D HA 0.198 4.838 4.640 0.001 0.000 0.255 285 D C 0.120 176.481 176.300 0.101 0.000 1.237 285 D CA 0.012 54.053 54.000 0.068 0.000 0.883 285 D CB 0.506 41.336 40.800 0.050 0.000 1.087 285 D HN 0.289 nan 8.370 nan 0.000 0.485 286 I N 4.839 125.481 120.570 0.121 0.000 2.436 286 I HA 0.058 4.229 4.170 0.001 0.000 0.289 286 I C -1.584 174.609 176.117 0.127 0.000 1.083 286 I CA -1.479 59.919 61.300 0.163 0.000 1.372 286 I CB 0.314 38.398 38.000 0.140 0.000 1.408 286 I HN 0.060 nan 8.210 nan 0.000 0.516 287 P HA 0.187 nan 4.420 nan 0.000 0.279 287 P C -0.750 176.619 177.300 0.115 0.000 1.239 287 P CA -0.222 62.948 63.100 0.116 0.000 0.789 287 P CB 1.384 33.157 31.700 0.121 0.000 0.933 288 V N 4.256 124.226 119.914 0.092 0.000 2.370 288 V HA 0.114 4.234 4.120 0.001 0.000 0.279 288 V C 0.636 176.788 176.094 0.096 0.000 1.029 288 V CA -0.971 61.383 62.300 0.092 0.000 0.870 288 V CB 1.173 33.037 31.823 0.069 0.000 0.984 288 V HN 0.468 nan 8.190 nan 0.000 0.451 289 L N 4.860 126.152 121.223 0.116 0.000 2.513 289 L HA 0.149 4.490 4.340 0.001 0.000 0.272 289 L C 0.812 177.746 176.870 0.108 0.000 1.187 289 L CA 0.909 55.819 54.840 0.116 0.000 0.895 289 L CB -0.044 42.099 42.059 0.140 0.000 1.147 289 L HN 0.782 nan 8.230 nan 0.000 0.483 290 N N 5.982 124.742 118.700 0.099 0.000 3.114 290 N HA 0.177 4.918 4.740 0.001 0.000 0.289 290 N C -0.746 174.837 175.510 0.121 0.000 1.519 290 N CA -0.488 52.619 53.050 0.094 0.000 1.026 290 N CB 0.208 38.738 38.487 0.071 0.000 1.306 290 N HN 0.602 nan 8.380 nan 0.000 0.495 291 L N 2.398 123.715 121.223 0.157 0.000 2.456 291 L HA 0.248 4.588 4.340 0.001 0.000 0.272 291 L C -1.664 175.335 176.870 0.215 0.000 1.189 291 L CA -1.340 53.629 54.840 0.216 0.000 0.846 291 L CB 0.438 42.656 42.059 0.264 0.000 1.111 291 L HN 0.276 nan 8.230 nan 0.000 0.475 292 P HA 0.134 nan 4.420 nan 0.000 0.276 292 P C -0.761 176.680 177.300 0.236 0.000 1.235 292 P CA -0.332 62.877 63.100 0.182 0.000 0.772 292 P CB 0.950 32.747 31.700 0.162 0.000 0.871 293 T N -1.425 113.176 114.554 0.078 0.000 2.918 293 T HA 0.301 4.652 4.350 0.001 0.000 0.286 293 T C 0.658 175.276 174.700 -0.137 0.000 1.026 293 T CA -0.679 61.373 62.100 -0.080 0.000 1.031 293 T CB 1.346 70.056 68.868 -0.263 0.000 1.046 293 T HN 0.168 nan 8.240 nan 0.000 0.479 294 D N 0.331 120.562 120.400 -0.281 0.000 2.224 294 D HA 0.120 4.761 4.640 0.001 0.000 0.205 294 D C -0.001 175.831 176.300 -0.780 0.000 0.965 294 D CA 1.152 54.812 54.000 -0.567 0.000 0.852 294 D CB 0.059 40.365 40.800 -0.824 0.000 0.947 294 D HN 0.545 nan 8.370 nan 0.000 0.494 295 F N -0.204 119.694 119.950 -0.087 0.000 2.593 295 F HA 0.275 4.803 4.527 0.001 0.000 0.320 295 F C 0.730 176.470 175.800 -0.099 0.000 1.060 295 F CA -1.187 56.766 58.000 -0.078 0.000 0.940 295 F CB 1.160 40.113 39.000 -0.079 0.000 1.268 295 F HN -0.486 nan 8.300 nan 0.000 0.475 296 T N 1.434 116.060 114.554 0.121 0.000 2.940 296 T HA 0.055 4.405 4.350 0.001 0.000 0.309 296 T C 0.236 174.939 174.700 0.005 0.000 1.056 296 T CA -0.278 61.843 62.100 0.035 0.000 1.137 296 T CB 0.270 69.156 68.868 0.029 0.000 0.976 296 T HN 0.465 nan 8.240 nan 0.000 0.547 297 R N 3.534 124.017 120.500 -0.028 0.000 2.449 297 R HA 0.125 4.466 4.340 0.001 0.000 0.296 297 R C -2.290 173.981 176.300 -0.049 0.000 1.047 297 R CA -1.254 54.815 56.100 -0.053 0.000 1.018 297 R CB -0.035 30.236 30.300 -0.049 0.000 0.962 297 R HN 0.355 nan 8.270 nan 0.000 0.428 298 P HA -0.022 nan 4.420 nan 0.000 0.269 298 P C -0.098 177.162 177.300 -0.066 0.000 1.215 298 P CA -0.108 62.950 63.100 -0.070 0.000 0.780 298 P CB 1.050 32.692 31.700 -0.097 0.000 0.898 299 S N -0.169 115.499 115.700 -0.053 0.000 2.489 299 S HA 0.006 4.476 4.470 0.001 0.000 0.228 299 S C 0.649 175.217 174.600 -0.054 0.000 0.995 299 S CA 0.924 59.097 58.200 -0.045 0.000 0.934 299 S CB -0.571 62.610 63.200 -0.032 0.000 0.771 299 S HN 0.745 nan 8.310 nan 0.000 0.522 300 T N -0.589 113.922 114.554 -0.072 0.000 2.887 300 T HA 0.500 4.851 4.350 0.001 0.000 0.288 300 T C -0.574 174.033 174.700 -0.155 0.000 1.021 300 T CA -0.789 61.260 62.100 -0.086 0.000 1.000 300 T CB 1.588 70.420 68.868 -0.061 0.000 1.034 300 T HN 0.219 nan 8.240 nan 0.000 0.467 301 Q N 1.557 121.226 119.800 -0.219 0.000 2.330 301 Q HA 0.339 4.680 4.340 0.001 0.000 0.279 301 Q C -0.302 175.351 176.000 -0.578 0.000 1.024 301 Q CA -0.082 55.467 55.803 -0.423 0.000 0.900 301 Q CB 0.490 28.890 28.738 -0.562 0.000 1.221 301 Q HN 0.781 nan 8.270 nan 0.000 0.396 302 S N 3.272 118.635 115.700 -0.561 0.000 2.451 302 S HA 0.429 4.900 4.470 0.001 0.000 0.301 302 S C -0.427 173.821 174.600 -0.586 0.000 1.116 302 S CA -0.695 57.242 58.200 -0.438 0.000 1.093 302 S CB 0.416 63.478 63.200 -0.230 0.000 1.017 302 S HN 0.678 nan 8.310 nan 0.000 0.482 303 F N 2.563 122.426 119.950 -0.145 0.000 2.695 303 F HA 0.406 4.934 4.527 0.001 0.000 0.303 303 F C 1.505 177.162 175.800 -0.240 0.000 1.091 303 F CA -0.239 57.597 58.000 -0.274 0.000 1.300 303 F CB 0.066 38.878 39.000 -0.312 0.000 1.071 303 F HN 0.664 nan 8.300 nan 0.000 0.578 304 A N 1.273 124.086 122.820 -0.010 0.000 2.546 304 A HA 0.472 4.793 4.320 0.001 0.000 0.243 304 A C 0.652 178.196 177.584 -0.067 0.000 1.063 304 A CA 0.757 52.779 52.037 -0.025 0.000 0.757 304 A CB -0.525 18.455 19.000 -0.034 0.000 0.991 304 A HN 0.349 nan 8.150 nan 0.000 0.503 305 G N 0.680 109.430 108.800 -0.082 0.000 2.605 305 G HA2 0.607 4.567 3.960 0.001 0.000 0.296 305 G HA3 0.607 4.567 3.960 0.001 0.000 0.296 305 G C -1.409 173.347 174.900 -0.240 0.000 1.304 305 G CA -0.323 44.681 45.100 -0.160 0.000 0.941 305 G HN 0.670 nan 8.290 nan 0.000 0.475 306 D N -1.413 118.689 120.400 -0.497 0.000 2.664 306 D HA 0.520 5.161 4.640 0.001 0.000 0.292 306 D C -1.166 174.821 176.300 -0.522 0.000 1.214 306 D CA -0.345 53.373 54.000 -0.469 0.000 0.932 306 D CB 2.776 43.306 40.800 -0.451 0.000 1.420 306 D HN 0.403 nan 8.370 nan 0.000 0.471 307 Q N -0.020 119.664 119.800 -0.193 0.000 2.421 307 Q HA 0.651 4.991 4.340 0.001 0.000 0.280 307 Q C -1.467 174.612 176.000 0.131 0.000 1.085 307 Q CA -0.649 55.152 55.803 -0.004 0.000 0.807 307 Q CB 1.804 30.530 28.738 -0.019 0.000 1.405 307 Q HN 0.703 nan 8.270 nan 0.000 0.419 308 C N -0.116 119.285 119.300 0.168 0.000 2.898 308 C HA 0.980 5.441 4.460 0.001 0.000 0.304 308 C C -0.636 174.373 174.990 0.031 0.000 1.237 308 C CA -0.485 58.598 59.018 0.108 0.000 1.529 308 C CB 1.376 29.196 27.740 0.134 0.000 2.021 308 C HN 0.788 nan 8.230 nan 0.000 0.474 309 T N 2.304 116.863 114.554 0.009 0.000 2.912 309 T HA 0.742 5.093 4.350 0.001 0.000 0.299 309 T C -1.080 173.613 174.700 -0.011 0.000 1.052 309 T CA -0.240 61.844 62.100 -0.026 0.000 0.996 309 T CB 1.542 70.392 68.868 -0.031 0.000 1.070 309 T HN 0.945 nan 8.240 nan 0.000 0.465 310 I N 1.080 121.638 120.570 -0.020 0.000 2.722 310 I HA 0.684 4.855 4.170 0.001 0.000 0.295 310 I C -0.010 176.115 176.117 0.012 0.000 1.161 310 I CA -0.634 60.669 61.300 0.006 0.000 1.032 310 I CB 1.686 39.699 38.000 0.022 0.000 1.244 310 I HN 0.786 nan 8.210 nan 0.000 0.421 311 G N 3.942 112.758 108.800 0.025 0.000 2.415 311 G HA2 0.476 4.437 3.960 0.001 0.000 0.269 311 G HA3 0.476 4.437 3.960 0.001 0.000 0.269 311 G C 0.535 175.470 174.900 0.058 0.000 1.209 311 G CA 0.113 45.235 45.100 0.038 0.000 0.835 311 G HN 0.893 nan 8.290 nan 0.000 0.534 312 A N 1.231 124.097 122.820 0.077 0.000 2.123 312 A HA 0.556 4.877 4.320 0.001 0.000 0.214 312 A C 1.564 179.191 177.584 0.071 0.000 1.152 312 A CA 1.304 53.398 52.037 0.095 0.000 0.728 312 A CB -0.714 18.363 19.000 0.129 0.000 0.814 312 A HN 2.519 nan 8.150 nan 0.000 0.464 313 G N -0.989 107.848 108.800 0.062 0.000 2.705 313 G HA2 -0.168 3.793 3.960 0.001 0.000 0.686 313 G HA3 -0.168 3.793 3.960 0.001 0.000 0.686 313 G C 0.244 175.180 174.900 0.060 0.000 1.285 313 G CA 0.007 45.138 45.100 0.052 0.000 0.800 313 G HN 0.254 nan 8.290 nan 0.000 0.611 314 K N 0.857 121.289 120.400 0.053 0.000 2.057 314 K HA 0.002 4.323 4.320 0.001 0.000 0.207 314 K C 3.092 179.729 176.600 0.061 0.000 1.049 314 K CA 1.963 58.286 56.287 0.059 0.000 0.931 314 K CB -0.185 32.342 32.500 0.045 0.000 0.714 314 K HN 0.800 nan 8.250 nan 0.000 0.440 315 A N 1.440 124.288 122.820 0.046 0.000 1.877 315 A HA -0.167 4.154 4.320 0.001 0.000 0.216 315 A C 2.108 179.719 177.584 0.044 0.000 1.186 315 A CA 1.255 53.316 52.037 0.040 0.000 0.620 315 A CB -0.565 18.451 19.000 0.028 0.000 0.822 315 A HN 0.229 nan 8.150 nan 0.000 0.443 316 L N -0.185 121.062 121.223 0.041 0.000 2.056 316 L HA -0.086 4.254 4.340 0.001 0.000 0.207 316 L C 2.442 179.344 176.870 0.054 0.000 1.078 316 L CA 2.750 57.610 54.840 0.032 0.000 0.749 316 L CB -1.169 40.906 42.059 0.025 0.000 0.901 316 L HN 0.384 nan 8.230 nan 0.000 0.433 317 T N -0.636 113.970 114.554 0.087 0.000 2.720 317 T HA -0.258 4.093 4.350 0.001 0.000 0.268 317 T C 1.760 176.582 174.700 0.202 0.000 1.037 317 T CA 1.809 63.990 62.100 0.135 0.000 1.144 317 T CB -0.202 68.767 68.868 0.169 0.000 0.864 317 T HN 0.493 nan 8.240 nan 0.000 0.444 318 E N 0.301 120.601 120.200 0.166 0.000 2.072 318 E HA -0.089 4.261 4.350 0.001 0.000 0.191 318 E C 2.494 179.176 176.600 0.136 0.000 0.985 318 E CA 1.013 57.512 56.400 0.165 0.000 0.801 318 E CB -0.408 29.347 29.700 0.091 0.000 0.750 318 E HN 0.519 nan 8.360 nan 0.000 0.452 319 G N 1.153 110.001 108.800 0.080 0.000 2.418 319 G HA2 -0.237 3.724 3.960 0.001 0.000 0.217 319 G HA3 -0.237 3.724 3.960 0.001 0.000 0.217 319 G C 1.567 176.489 174.900 0.038 0.000 1.158 319 G CA 0.634 45.763 45.100 0.047 0.000 0.771 319 G HN 0.186 nan 8.290 nan 0.000 0.545 320 L N -0.493 120.741 121.223 0.019 0.000 2.046 320 L HA -0.079 4.262 4.340 0.001 0.000 0.208 320 L C 2.768 179.619 176.870 -0.032 0.000 1.077 320 L CA 1.007 55.828 54.840 -0.033 0.000 0.747 320 L CB -0.550 41.462 42.059 -0.078 0.000 0.896 320 L HN 0.214 nan 8.230 nan 0.000 0.432 321 H N 0.019 119.113 119.070 0.040 0.000 2.319 321 H HA -0.163 4.394 4.556 0.001 0.000 0.299 321 H C 2.371 177.726 175.328 0.044 0.000 1.092 321 H CA 1.453 57.530 56.048 0.048 0.000 1.302 321 H CB 0.047 29.843 29.762 0.058 0.000 1.373 321 H HN 0.403 nan 8.280 nan 0.000 0.497 322 Q N 0.210 120.107 119.800 0.162 0.000 2.167 322 Q HA -0.095 4.246 4.340 0.001 0.000 0.202 322 Q C 2.605 178.650 176.000 0.075 0.000 0.970 322 Q CA 0.441 56.306 55.803 0.103 0.000 0.855 322 Q CB -0.490 28.295 28.738 0.077 0.000 0.911 322 Q HN 0.296 nan 8.270 nan 0.000 0.438 323 L N 0.864 122.121 121.223 0.058 0.000 2.046 323 L HA -0.095 4.246 4.340 0.001 0.000 0.208 323 L C 2.165 179.069 176.870 0.056 0.000 1.077 323 L CA 2.059 56.927 54.840 0.046 0.000 0.747 323 L CB -0.859 41.219 42.059 0.032 0.000 0.896 323 L HN 0.107 nan 8.230 nan 0.000 0.432 324 A N -1.168 121.686 122.820 0.056 0.000 1.883 324 A HA -0.262 4.059 4.320 0.001 0.000 0.217 324 A C 2.289 179.923 177.584 0.083 0.000 1.186 324 A CA 1.752 53.827 52.037 0.062 0.000 0.624 324 A CB -0.786 18.246 19.000 0.054 0.000 0.822 324 A HN 0.595 nan 8.150 nan 0.000 0.444 325 Q N -0.433 119.425 119.800 0.096 0.000 2.077 325 Q HA -0.211 4.130 4.340 0.001 0.000 0.206 325 Q C 2.304 178.357 176.000 0.088 0.000 0.989 325 Q CA 2.075 57.936 55.803 0.097 0.000 0.853 325 Q CB -0.496 28.297 28.738 0.092 0.000 0.907 325 Q HN 0.611 nan 8.270 nan 0.000 0.418 326 A N -0.157 122.706 122.820 0.072 0.000 2.014 326 A HA -0.091 4.230 4.320 0.001 0.000 0.218 326 A C 1.887 179.502 177.584 0.051 0.000 1.163 326 A CA 1.835 53.908 52.037 0.061 0.000 0.652 326 A CB -0.369 18.663 19.000 0.053 0.000 0.808 326 A HN 0.531 nan 8.150 nan 0.000 0.449 327 T N -4.808 109.773 114.554 0.045 0.000 3.054 327 T HA 0.425 4.776 4.350 0.001 0.000 0.255 327 T C 1.184 175.897 174.700 0.022 0.000 1.035 327 T CA 0.895 63.005 62.100 0.017 0.000 0.941 327 T CB 0.089 68.954 68.868 -0.004 0.000 1.026 327 T HN 1.595 nan 8.240 nan 0.000 0.533 328 G N 1.960 110.811 108.800 0.086 0.000 2.221 328 G HA2 -0.223 3.738 3.960 0.001 0.000 0.265 328 G HA3 -0.223 3.738 3.960 0.001 0.000 0.265 328 G C 0.166 175.181 174.900 0.192 0.000 1.041 328 G CA 0.547 45.764 45.100 0.195 0.000 0.807 328 G HN 1.164 nan 8.290 nan 0.000 0.502 329 T N -2.932 111.690 114.554 0.114 0.000 2.883 329 T HA 0.825 5.176 4.350 0.001 0.000 0.284 329 T C 0.376 175.135 174.700 0.097 0.000 1.041 329 T CA 0.267 62.420 62.100 0.089 0.000 1.007 329 T CB 2.008 70.895 68.868 0.032 0.000 1.220 329 T HN 1.157 nan 8.240 nan 0.000 0.552 330 T N -0.468 114.148 114.554 0.104 0.000 2.934 330 T HA 0.431 4.782 4.350 0.001 0.000 0.283 330 T C 1.167 175.913 174.700 0.076 0.000 1.005 330 T CA -0.873 61.298 62.100 0.118 0.000 1.041 330 T CB 1.080 70.046 68.868 0.164 0.000 1.042 330 T HN 0.517 nan 8.240 nan 0.000 0.505 331 L N 1.189 122.426 121.223 0.023 0.000 2.042 331 L HA -0.020 4.320 4.340 0.001 0.000 0.210 331 L C 2.191 178.933 176.870 -0.214 0.000 1.076 331 L CA 1.763 56.505 54.840 -0.164 0.000 0.749 331 L CB -1.511 40.340 42.059 -0.347 0.000 0.893 331 L HN 0.873 nan 8.230 nan 0.000 0.432 332 Y N -0.278 119.873 120.300 -0.247 0.000 2.069 332 Y HA -0.379 4.172 4.550 0.002 0.000 0.278 332 Y C 2.455 178.361 175.900 0.011 0.000 1.175 332 Y CA 2.672 60.729 58.100 -0.072 0.000 1.134 332 Y CB -0.228 38.343 38.460 0.184 0.000 0.965 332 Y HN 0.234 nan 8.280 nan 0.000 0.498 333 M N -1.399 118.338 119.600 0.228 0.000 2.132 333 M HA -0.225 4.256 4.480 0.001 0.000 0.263 333 M C 1.998 178.260 176.300 -0.063 0.000 1.065 333 M CA 1.509 56.858 55.300 0.082 0.000 1.122 333 M CB -0.430 32.220 32.600 0.082 0.000 1.365 333 M HN 0.169 nan 8.290 nan 0.000 0.411 334 V N 0.868 120.767 119.914 -0.025 0.000 2.295 334 V HA -0.267 3.853 4.120 0.001 0.000 0.246 334 V C 2.278 178.399 176.094 0.044 0.000 1.049 334 V CA 1.747 64.069 62.300 0.038 0.000 1.024 334 V CB -0.675 31.169 31.823 0.036 0.000 0.648 334 V HN 0.461 nan 8.190 nan 0.000 0.447 335 L N -0.832 120.373 121.223 -0.030 0.000 2.046 335 L HA -0.178 4.163 4.340 0.001 0.000 0.208 335 L C 2.466 179.207 176.870 -0.215 0.000 1.077 335 L CA 1.192 56.075 54.840 0.073 0.000 0.747 335 L CB -0.660 41.513 42.059 0.191 0.000 0.896 335 L HN 0.342 nan 8.230 nan 0.000 0.432 336 L N 0.354 121.183 121.223 -0.656 0.000 2.046 336 L HA -0.148 4.193 4.340 0.001 0.000 0.208 336 L C 2.639 179.327 176.870 -0.303 0.000 1.077 336 L CA 2.002 56.286 54.840 -0.927 0.000 0.747 336 L CB -0.757 40.815 42.059 -0.812 0.000 0.896 336 L HN 0.146 nan 8.230 nan 0.000 0.432 337 A N -0.373 122.362 122.820 -0.141 0.000 1.877 337 A HA -0.132 4.188 4.320 0.001 0.000 0.216 337 A C 2.465 180.264 177.584 0.359 0.000 1.186 337 A CA 2.013 54.084 52.037 0.056 0.000 0.620 337 A CB -1.279 17.652 19.000 -0.115 0.000 0.822 337 A HN 0.581 nan 8.150 nan 0.000 0.443 338 A N -1.797 121.198 122.820 0.290 0.000 1.933 338 A HA -0.112 4.209 4.320 0.001 0.000 0.218 338 A C 2.142 179.817 177.584 0.151 0.000 1.175 338 A CA 1.732 53.847 52.037 0.131 0.000 0.628 338 A CB -0.756 18.131 19.000 -0.189 0.000 0.814 338 A HN 0.716 nan 8.150 nan 0.000 0.444 339 Y N 1.327 121.650 120.300 0.039 0.000 2.200 339 Y HA -0.170 4.380 4.550 0.001 0.000 0.290 339 Y C 2.272 178.121 175.900 -0.085 0.000 1.137 339 Y CA 1.711 59.724 58.100 -0.144 0.000 1.163 339 Y CB -0.419 37.724 38.460 -0.528 0.000 0.988 339 Y HN 0.364 nan 8.280 nan 0.000 0.518 340 N N -0.180 118.482 118.700 -0.063 0.000 2.104 340 N HA -0.199 4.542 4.740 0.001 0.000 0.190 340 N C 2.055 177.515 175.510 -0.082 0.000 1.024 340 N CA 1.778 54.804 53.050 -0.041 0.000 0.853 340 N CB -0.435 38.209 38.487 0.261 0.000 1.008 340 N HN 0.416 nan 8.380 nan 0.000 0.424 341 V N 1.592 121.485 119.914 -0.035 0.000 2.427 341 V HA -0.092 4.029 4.120 0.001 0.000 0.248 341 V C 2.131 178.170 176.094 -0.092 0.000 1.051 341 V CA 0.982 63.215 62.300 -0.112 0.000 1.048 341 V CB -0.404 31.376 31.823 -0.072 0.000 0.666 341 V HN 0.246 nan 8.190 nan 0.000 0.456 342 L N -0.400 120.767 121.223 -0.094 0.000 1.989 342 L HA -0.175 4.166 4.340 0.001 0.000 0.211 342 L C 2.533 179.398 176.870 -0.009 0.000 1.071 342 L CA 2.604 57.398 54.840 -0.076 0.000 0.749 342 L CB -0.353 41.608 42.059 -0.163 0.000 0.890 342 L HN 0.367 nan 8.230 nan 0.000 0.431 343 L N -0.419 120.712 121.223 -0.153 0.000 2.046 343 L HA -0.187 4.153 4.340 0.001 0.000 0.208 343 L C 2.863 179.752 176.870 0.032 0.000 1.077 343 L CA 1.114 55.920 54.840 -0.057 0.000 0.747 343 L CB -0.800 41.122 42.059 -0.228 0.000 0.896 343 L HN 0.320 nan 8.230 nan 0.000 0.432 344 A N 0.204 123.003 122.820 -0.034 0.000 1.908 344 A HA -0.231 4.090 4.320 0.001 0.000 0.218 344 A C 2.352 179.934 177.584 -0.004 0.000 1.181 344 A CA 1.800 53.816 52.037 -0.035 0.000 0.627 344 A CB -0.326 18.607 19.000 -0.111 0.000 0.818 344 A HN 0.340 nan 8.150 nan 0.000 0.445 345 K N -1.975 118.433 120.400 0.013 0.000 2.062 345 K HA -0.065 4.256 4.320 0.001 0.000 0.205 345 K C 1.905 178.516 176.600 0.018 0.000 1.051 345 K CA 1.404 57.686 56.287 -0.008 0.000 0.941 345 K CB -0.303 32.173 32.500 -0.041 0.000 0.719 345 K HN 0.555 nan 8.250 nan 0.000 0.440 346 Y N 0.704 121.022 120.300 0.029 0.000 2.181 346 Y HA -0.184 4.367 4.550 0.001 0.000 0.288 346 Y C 2.329 178.267 175.900 0.062 0.000 1.146 346 Y CA 1.549 59.701 58.100 0.086 0.000 1.164 346 Y CB -0.194 38.381 38.460 0.192 0.000 0.982 346 Y HN 0.071 nan 8.280 nan 0.000 0.515 347 A N -0.825 122.113 122.820 0.196 0.000 2.123 347 A HA 0.300 4.620 4.320 0.001 0.000 0.214 347 A C 1.884 179.506 177.584 0.064 0.000 1.152 347 A CA 0.789 52.901 52.037 0.125 0.000 0.728 347 A CB -1.024 18.041 19.000 0.109 0.000 0.814 347 A HN 0.588 nan 8.150 nan 0.000 0.464 348 G N -0.614 108.206 108.800 0.034 0.000 2.295 348 G HA2 -0.234 3.727 3.960 0.001 0.000 0.287 348 G HA3 -0.234 3.727 3.960 0.001 0.000 0.287 348 G C -0.141 174.763 174.900 0.006 0.000 1.055 348 G CA 0.613 45.716 45.100 0.004 0.000 0.922 348 G HN 0.669 nan 8.290 nan 0.000 0.503 349 Q N -1.392 118.412 119.800 0.007 0.000 2.451 349 Q HA 0.577 4.918 4.340 0.001 0.000 0.281 349 Q C 0.168 176.159 176.000 -0.016 0.000 1.099 349 Q CA -0.802 55.006 55.803 0.008 0.000 0.806 349 Q CB 1.636 30.393 28.738 0.031 0.000 1.419 349 Q HN 0.395 nan 8.270 nan 0.000 0.427 350 E N 0.533 120.725 120.200 -0.013 0.000 2.812 350 E HA 0.132 4.482 4.350 0.001 0.000 0.211 350 E C -1.106 175.492 176.600 -0.004 0.000 0.986 350 E CA 0.101 56.480 56.400 -0.036 0.000 1.119 350 E CB 0.836 30.511 29.700 -0.042 0.000 1.046 350 E HN 0.299 nan 8.360 nan 0.000 0.474 351 D N 1.139 121.555 120.400 0.026 0.000 2.613 351 D HA 0.331 4.972 4.640 0.001 0.000 0.230 351 D C -1.270 175.081 176.300 0.086 0.000 1.365 351 D CA -0.253 53.783 54.000 0.061 0.000 0.976 351 D CB 0.824 41.659 40.800 0.059 0.000 1.415 351 D HN 0.010 nan 8.370 nan 0.000 0.589 352 I N 3.761 124.397 120.570 0.109 0.000 2.656 352 I HA 0.440 4.611 4.170 0.001 0.000 0.292 352 I C -0.375 175.845 176.117 0.172 0.000 1.144 352 I CA -0.897 60.476 61.300 0.122 0.000 1.038 352 I CB 2.427 40.471 38.000 0.073 0.000 1.244 352 I HN 0.257 nan 8.210 nan 0.000 0.420 353 I N 5.935 126.635 120.570 0.216 0.000 2.378 353 I HA 0.483 4.654 4.170 0.001 0.000 0.291 353 I C -0.682 175.574 176.117 0.231 0.000 0.992 353 I CA -0.902 60.569 61.300 0.284 0.000 1.154 353 I CB 2.012 40.252 38.000 0.401 0.000 1.315 353 I HN 0.137 nan 8.210 nan 0.000 0.448 354 V N 4.696 124.697 119.914 0.144 0.000 2.487 354 V HA 0.491 4.611 4.120 0.001 0.000 0.298 354 V C 0.571 176.496 176.094 -0.281 0.000 1.028 354 V CA -0.692 61.628 62.300 0.034 0.000 0.860 354 V CB 1.788 33.687 31.823 0.126 0.000 0.991 354 V HN 0.899 nan 8.190 nan 0.000 0.427 355 G N 2.617 110.890 108.800 -0.877 0.000 2.361 355 G HA2 0.473 4.434 3.960 0.001 0.000 0.260 355 G HA3 0.473 4.434 3.960 0.001 0.000 0.260 355 G C 0.179 174.767 174.900 -0.519 0.000 1.261 355 G CA 0.118 44.297 45.100 -1.536 0.000 0.897 355 G HN 0.830 nan 8.290 nan 0.000 0.499 356 T N 1.482 115.884 114.554 -0.253 0.000 2.864 356 T HA 0.559 4.910 4.350 0.001 0.000 0.310 356 T C -2.798 171.947 174.700 0.076 0.000 1.040 356 T CA -2.049 60.094 62.100 0.073 0.000 0.977 356 T CB 2.222 71.284 68.868 0.323 0.000 0.976 356 T HN 0.221 nan 8.240 nan 0.000 0.459 357 P HA 0.384 nan 4.420 nan 0.000 0.268 357 P C -0.165 177.200 177.300 0.109 0.000 1.205 357 P CA -0.516 62.626 63.100 0.070 0.000 0.771 357 P CB 0.422 32.159 31.700 0.060 0.000 0.858 358 I N -1.738 118.887 120.570 0.092 0.000 3.002 358 I HA 0.488 4.659 4.170 0.001 0.000 0.310 358 I C 1.233 177.376 176.117 0.043 0.000 1.087 358 I CA -0.837 60.493 61.300 0.050 0.000 1.017 358 I CB 2.055 40.088 38.000 0.056 0.000 1.226 358 I HN 0.261 nan 8.210 nan 0.000 0.443 359 T N -0.605 113.945 114.554 -0.007 0.000 2.915 359 T HA 0.098 4.449 4.350 0.001 0.000 0.269 359 T C 1.528 176.252 174.700 0.041 0.000 1.071 359 T CA 1.026 63.126 62.100 0.001 0.000 1.132 359 T CB -0.558 68.270 68.868 -0.067 0.000 0.878 359 T HN 1.811 nan 8.240 nan 0.000 0.479 360 G N 1.680 110.499 108.800 0.031 0.000 2.162 360 G HA2 -0.287 3.673 3.960 0.001 0.000 0.260 360 G HA3 -0.287 3.673 3.960 0.001 0.000 0.260 360 G C 0.367 175.226 174.900 -0.067 0.000 0.976 360 G CA 0.127 45.275 45.100 0.079 0.000 0.655 360 G HN 0.657 nan 8.290 nan 0.000 0.533 361 R N 0.929 121.315 120.500 -0.189 0.000 3.559 361 R HA 0.409 4.750 4.340 0.001 0.000 0.273 361 R C 1.522 177.684 176.300 -0.230 0.000 1.423 361 R CA 0.425 56.316 56.100 -0.349 0.000 1.581 361 R CB 0.398 30.459 30.300 -0.399 0.000 1.338 361 R HN 0.363 nan 8.270 nan 0.000 0.667 362 S N -1.001 114.598 115.700 -0.169 0.000 2.593 362 S HA 0.021 4.492 4.470 0.001 0.000 0.217 362 S C 0.536 175.079 174.600 -0.095 0.000 0.966 362 S CA -0.063 58.050 58.200 -0.145 0.000 0.914 362 S CB -0.055 63.064 63.200 -0.136 0.000 0.776 362 S HN 0.453 nan 8.310 nan 0.000 0.523 363 H N -0.318 118.637 119.070 -0.193 0.000 2.768 363 H HA 0.614 5.170 4.556 0.001 0.000 0.371 363 H C 1.077 176.307 175.328 -0.163 0.000 1.151 363 H CA 0.099 56.057 56.048 -0.149 0.000 1.165 363 H CB 2.103 31.781 29.762 -0.140 0.000 1.722 363 H HN 0.052 nan 8.280 nan 0.000 0.543 364 A N 3.293 125.830 122.820 -0.472 0.000 1.940 364 A HA -0.257 4.064 4.320 0.001 0.000 0.221 364 A C 1.635 179.179 177.584 -0.066 0.000 1.190 364 A CA 2.244 54.127 52.037 -0.257 0.000 0.647 364 A CB -0.350 18.465 19.000 -0.308 0.000 0.821 364 A HN 0.785 nan 8.150 nan 0.000 0.457 365 D N -0.398 120.108 120.400 0.177 0.000 2.264 365 D HA -0.046 4.595 4.640 0.001 0.000 0.208 365 D C 1.702 177.983 176.300 -0.032 0.000 0.966 365 D CA 0.752 54.811 54.000 0.098 0.000 0.864 365 D CB -0.193 40.680 40.800 0.122 0.000 0.933 365 D HN 0.529 nan 8.370 nan 0.000 0.499 366 L N 0.294 121.444 121.223 -0.122 0.000 2.446 366 L HA 0.046 4.386 4.340 0.001 0.000 0.219 366 L C 2.020 178.630 176.870 -0.433 0.000 1.116 366 L CA 0.376 54.989 54.840 -0.378 0.000 0.844 366 L CB -0.132 41.573 42.059 -0.591 0.000 0.970 366 L HN -0.068 nan 8.230 nan 0.000 0.457 367 E N 0.943 120.986 120.200 -0.261 0.000 2.110 367 E HA -0.167 4.183 4.350 0.001 0.000 0.193 367 E C -0.800 175.711 176.600 -0.149 0.000 0.988 367 E CA 1.107 57.376 56.400 -0.218 0.000 0.804 367 E CB -0.521 29.084 29.700 -0.157 0.000 0.745 367 E HN 0.473 nan 8.360 nan 0.000 0.458 368 P HA 0.112 nan 4.420 nan 0.000 0.261 368 P C 0.060 177.384 177.300 0.039 0.000 1.268 368 P CA 0.270 63.359 63.100 -0.018 0.000 0.833 368 P CB 0.145 31.848 31.700 0.006 0.000 1.231 369 I N 0.542 121.129 120.570 0.029 0.000 2.474 369 I HA 0.098 4.269 4.170 0.001 0.000 0.287 369 I C 0.405 176.633 176.117 0.186 0.000 1.048 369 I CA -0.853 60.550 61.300 0.172 0.000 1.383 369 I CB 1.634 39.811 38.000 0.296 0.000 1.412 369 I HN -0.333 nan 8.210 nan 0.000 0.531 370 V N 6.081 126.045 119.914 0.084 0.000 2.427 370 V HA 0.674 4.795 4.120 0.001 0.000 0.268 370 V C 0.644 176.754 176.094 0.027 0.000 1.046 370 V CA 0.202 62.470 62.300 -0.053 0.000 0.970 370 V CB 0.261 31.857 31.823 -0.377 0.000 1.001 370 V HN 1.064 nan 8.190 nan 0.000 0.476 371 G N 4.432 113.227 108.800 -0.009 0.000 2.322 371 G HA2 0.413 4.374 3.960 0.001 0.000 0.295 371 G HA3 0.413 4.374 3.960 0.001 0.000 0.295 371 G C -1.423 173.296 174.900 -0.302 0.000 1.369 371 G CA -0.969 43.913 45.100 -0.364 0.000 0.821 371 G HN 0.528 nan 8.290 nan 0.000 0.536 372 M N 1.373 120.654 119.600 -0.530 0.000 2.261 372 M HA 0.676 5.157 4.480 0.001 0.000 0.349 372 M C -0.869 175.338 176.300 -0.155 0.000 1.305 372 M CA -1.111 54.096 55.300 -0.155 0.000 1.240 372 M CB -0.571 31.993 32.600 -0.060 0.000 1.394 372 M HN 0.391 nan 8.290 nan 0.000 0.438 373 F N 2.698 122.730 119.950 0.138 0.000 2.680 373 F HA 0.281 4.809 4.527 0.001 0.000 0.290 373 F C 0.894 176.741 175.800 0.078 0.000 1.114 373 F CA -0.124 57.909 58.000 0.054 0.000 1.333 373 F CB 0.233 39.189 39.000 -0.073 0.000 1.091 373 F HN 0.340 nan 8.300 nan 0.000 0.606 374 V N 2.465 122.531 119.914 0.253 0.000 2.644 374 V HA -0.030 4.090 4.120 0.001 0.000 0.305 374 V C -0.296 175.898 176.094 0.167 0.000 1.053 374 V CA 0.396 62.805 62.300 0.182 0.000 1.186 374 V CB 0.090 32.011 31.823 0.162 0.000 0.895 374 V HN 0.341 nan 8.190 nan 0.000 0.490 375 N N 3.694 122.486 118.700 0.153 0.000 2.312 375 N HA 0.598 5.338 4.740 0.001 0.000 0.296 375 N C -1.040 174.527 175.510 0.095 0.000 1.193 375 N CA -0.415 52.727 53.050 0.153 0.000 0.773 375 N CB 2.558 41.165 38.487 0.201 0.000 1.435 375 N HN 0.675 nan 8.380 nan 0.000 0.484 376 T N 1.390 115.964 114.554 0.034 0.000 2.841 376 T HA 0.533 4.884 4.350 0.001 0.000 0.283 376 T C -0.496 174.176 174.700 -0.046 0.000 1.000 376 T CA -0.531 61.524 62.100 -0.075 0.000 0.977 376 T CB 0.671 69.393 68.868 -0.243 0.000 0.979 376 T HN 0.243 nan 8.240 nan 0.000 0.446 377 L N 2.124 123.353 121.223 0.010 0.000 2.307 377 L HA 0.694 5.035 4.340 0.001 0.000 0.284 377 L C 0.477 177.382 176.870 0.059 0.000 1.023 377 L CA -1.283 53.610 54.840 0.087 0.000 0.810 377 L CB 1.315 43.557 42.059 0.304 0.000 1.231 377 L HN 0.708 nan 8.230 nan 0.000 0.423 378 A N 4.246 127.201 122.820 0.225 0.000 2.437 378 A HA 0.443 4.764 4.320 0.001 0.000 0.303 378 A C -0.190 177.740 177.584 0.577 0.000 1.324 378 A CA -0.301 51.982 52.037 0.410 0.000 0.983 378 A CB -0.043 19.333 19.000 0.626 0.000 1.142 378 A HN 0.672 nan 8.150 nan 0.000 0.541 379 M N 3.170 122.964 119.600 0.323 0.000 2.077 379 M HA 0.270 4.750 4.480 0.001 0.000 0.348 379 M C 0.236 176.699 176.300 0.272 0.000 1.252 379 M CA 0.091 55.571 55.300 0.300 0.000 1.096 379 M CB 0.246 32.949 32.600 0.170 0.000 1.568 379 M HN 0.672 nan 8.290 nan 0.000 0.456 380 R N 3.945 124.599 120.500 0.257 0.000 2.294 380 R HA 0.564 4.905 4.340 0.001 0.000 0.319 380 R C -1.220 175.134 176.300 0.090 0.000 0.984 380 R CA -0.271 55.942 56.100 0.189 0.000 0.861 380 R CB 0.731 31.101 30.300 0.115 0.000 1.104 380 R HN 0.851 nan 8.270 nan 0.000 0.451 381 N N 1.756 120.528 118.700 0.120 0.000 2.525 381 N HA 0.309 5.050 4.740 0.001 0.000 0.270 381 N C -1.692 173.939 175.510 0.201 0.000 1.321 381 N CA -0.921 52.214 53.050 0.142 0.000 0.797 381 N CB 2.174 40.753 38.487 0.154 0.000 1.529 381 N HN 0.360 nan 8.380 nan 0.000 0.491 382 K N 1.294 121.860 120.400 0.277 0.000 2.679 382 K HA 0.285 4.606 4.320 0.001 0.000 0.188 382 K C -2.544 174.108 176.600 0.086 0.000 1.055 382 K CA -1.351 55.028 56.287 0.153 0.000 1.006 382 K CB 1.508 34.062 32.500 0.089 0.000 1.317 382 K HN 0.319 nan 8.250 nan 0.000 0.584 383 P HA -0.010 nan 4.420 nan 0.000 0.249 383 P C -0.757 176.336 177.300 -0.344 0.000 1.737 383 P CA -0.037 62.636 63.100 -0.712 0.000 1.128 383 P CB 0.193 31.428 31.700 -0.774 0.000 1.942 384 Q N 1.779 121.449 119.800 -0.217 0.000 2.293 384 Q HA 0.145 4.485 4.340 0.001 0.000 0.251 384 Q C 1.931 177.856 176.000 -0.126 0.000 0.930 384 Q CA -0.484 55.246 55.803 -0.121 0.000 0.893 384 Q CB 1.214 29.918 28.738 -0.056 0.000 1.215 384 Q HN 0.374 nan 8.270 nan 0.000 0.425 385 R N 1.844 122.288 120.500 -0.093 0.000 2.127 385 R HA -0.214 4.127 4.340 0.001 0.000 0.238 385 R C 0.502 176.769 176.300 -0.056 0.000 1.134 385 R CA 1.877 57.930 56.100 -0.079 0.000 0.975 385 R CB -0.052 30.212 30.300 -0.060 0.000 0.865 385 R HN 0.661 nan 8.270 nan 0.000 0.447 386 E N 0.864 121.039 120.200 -0.042 0.000 2.371 386 E HA 0.033 4.384 4.350 0.001 0.000 0.194 386 E C -0.023 176.571 176.600 -0.011 0.000 1.012 386 E CA 0.194 56.580 56.400 -0.023 0.000 0.860 386 E CB 0.220 29.910 29.700 -0.017 0.000 0.811 386 E HN 0.343 nan 8.360 nan 0.000 0.502 387 K N 1.953 122.343 120.400 -0.017 0.000 2.295 387 K HA 0.059 4.380 4.320 0.001 0.000 0.270 387 K C 0.316 176.936 176.600 0.032 0.000 1.011 387 K CA -0.036 56.258 56.287 0.011 0.000 0.953 387 K CB 0.771 33.282 32.500 0.018 0.000 0.956 387 K HN 0.012 nan 8.250 nan 0.000 0.477 388 T N -0.626 113.966 114.554 0.064 0.000 2.899 388 T HA 0.045 4.396 4.350 0.001 0.000 0.295 388 T C 0.980 175.759 174.700 0.132 0.000 1.033 388 T CA -0.582 61.580 62.100 0.103 0.000 1.084 388 T CB 0.407 69.354 68.868 0.132 0.000 0.979 388 T HN 0.510 nan 8.240 nan 0.000 0.532 389 F N 1.905 121.868 119.950 0.022 0.000 2.161 389 F HA -0.063 4.465 4.527 0.001 0.000 0.300 389 F C 2.693 178.517 175.800 0.041 0.000 1.089 389 F CA 1.919 59.949 58.000 0.051 0.000 1.282 389 F CB -0.722 38.269 39.000 -0.014 0.000 1.010 389 F HN 0.706 nan 8.300 nan 0.000 0.485 390 S N 0.151 115.842 115.700 -0.014 0.000 2.359 390 S HA -0.298 4.173 4.470 0.001 0.000 0.224 390 S C 2.142 176.658 174.600 -0.139 0.000 1.035 390 S CA 1.795 59.913 58.200 -0.136 0.000 1.018 390 S CB -0.699 62.418 63.200 -0.139 0.000 0.876 390 S HN 0.755 nan 8.310 nan 0.000 0.448 391 E N -0.734 119.441 120.200 -0.042 0.000 2.107 391 E HA -0.137 4.214 4.350 0.001 0.000 0.191 391 E C 1.959 178.518 176.600 -0.069 0.000 0.982 391 E CA 1.053 57.431 56.400 -0.038 0.000 0.809 391 E CB -0.655 29.054 29.700 0.016 0.000 0.756 391 E HN 0.603 nan 8.360 nan 0.000 0.459 392 F N 2.039 121.858 119.950 -0.218 0.000 2.134 392 F HA -0.127 4.401 4.527 0.001 0.000 0.299 392 F C 2.065 177.656 175.800 -0.349 0.000 1.097 392 F CA 1.278 59.127 58.000 -0.252 0.000 1.264 392 F CB -0.361 38.494 39.000 -0.243 0.000 1.001 392 F HN 0.140 nan 8.300 nan 0.000 0.479 393 L N 0.699 121.508 121.223 -0.691 0.000 2.079 393 L HA -0.215 4.126 4.340 0.001 0.000 0.210 393 L C 2.241 178.837 176.870 -0.457 0.000 1.081 393 L CA 1.813 56.213 54.840 -0.734 0.000 0.752 393 L CB -1.051 40.554 42.059 -0.757 0.000 0.896 393 L HN 0.187 nan 8.230 nan 0.000 0.433 394 Q N -0.078 119.528 119.800 -0.323 0.000 2.167 394 Q HA -0.192 4.149 4.340 0.001 0.000 0.202 394 Q C 2.118 177.985 176.000 -0.222 0.000 0.970 394 Q CA 1.712 57.386 55.803 -0.214 0.000 0.855 394 Q CB -0.204 28.448 28.738 -0.143 0.000 0.911 394 Q HN 0.697 nan 8.270 nan 0.000 0.438 395 E N -0.024 120.011 120.200 -0.275 0.000 2.077 395 E HA -0.118 4.233 4.350 0.001 0.000 0.193 395 E C 2.156 178.569 176.600 -0.311 0.000 0.989 395 E CA 1.173 57.422 56.400 -0.252 0.000 0.800 395 E CB 0.020 29.591 29.700 -0.215 0.000 0.746 395 E HN 0.071 nan 8.360 nan 0.000 0.452 396 V N 1.971 121.586 119.914 -0.499 0.000 2.332 396 V HA -0.303 3.818 4.120 0.001 0.000 0.248 396 V C 2.436 178.384 176.094 -0.243 0.000 1.055 396 V CA 2.038 64.084 62.300 -0.424 0.000 1.038 396 V CB -0.504 30.980 31.823 -0.564 0.000 0.651 396 V HN 0.245 nan 8.190 nan 0.000 0.450 397 K N -0.167 120.105 120.400 -0.213 0.000 2.026 397 K HA -0.290 4.031 4.320 0.001 0.000 0.208 397 K C 2.303 178.835 176.600 -0.113 0.000 1.048 397 K CA 2.031 58.247 56.287 -0.118 0.000 0.929 397 K CB -0.180 32.269 32.500 -0.087 0.000 0.713 397 K HN 0.350 nan 8.250 nan 0.000 0.439 398 Q N 1.156 120.884 119.800 -0.121 0.000 2.084 398 Q HA -0.120 4.221 4.340 0.001 0.000 0.202 398 Q C 1.698 177.632 176.000 -0.111 0.000 0.978 398 Q CA 1.915 57.660 55.803 -0.096 0.000 0.844 398 Q CB -0.205 28.481 28.738 -0.086 0.000 0.898 398 Q HN 0.387 nan 8.270 nan 0.000 0.426 399 N N -0.385 118.241 118.700 -0.124 0.000 2.244 399 N HA -0.076 4.665 4.740 0.001 0.000 0.183 399 N C 1.364 176.776 175.510 -0.162 0.000 1.016 399 N CA 1.198 54.186 53.050 -0.104 0.000 0.866 399 N CB -0.357 38.078 38.487 -0.087 0.000 0.980 399 N HN 0.359 nan 8.380 nan 0.000 0.430 400 A N 1.321 124.003 122.820 -0.230 0.000 1.873 400 A HA -0.017 4.304 4.320 0.001 0.000 0.215 400 A C 2.372 179.526 177.584 -0.716 0.000 1.186 400 A CA 0.801 52.553 52.037 -0.476 0.000 0.616 400 A CB -0.746 18.055 19.000 -0.331 0.000 0.823 400 A HN 0.177 nan 8.150 nan 0.000 0.442 401 L N -0.376 120.645 121.223 -0.336 0.000 2.042 401 L HA -0.215 4.126 4.340 0.001 0.000 0.210 401 L C 2.133 178.897 176.870 -0.177 0.000 1.076 401 L CA 1.526 56.267 54.840 -0.166 0.000 0.749 401 L CB -0.731 41.296 42.059 -0.054 0.000 0.893 401 L HN 0.317 nan 8.230 nan 0.000 0.432 402 D N 0.162 120.439 120.400 -0.206 0.000 2.117 402 D HA -0.161 4.479 4.640 0.001 0.000 0.197 402 D C 2.227 178.256 176.300 -0.452 0.000 0.987 402 D CA 1.519 55.344 54.000 -0.292 0.000 0.829 402 D CB -0.086 40.543 40.800 -0.285 0.000 0.961 402 D HN 0.322 nan 8.370 nan 0.000 0.460 403 A N 0.191 122.798 122.820 -0.354 0.000 1.877 403 A HA -0.199 4.121 4.320 0.001 0.000 0.216 403 A C 2.156 179.825 177.584 0.142 0.000 1.186 403 A CA 1.180 53.156 52.037 -0.102 0.000 0.620 403 A CB -1.242 17.826 19.000 0.112 0.000 0.822 403 A HN 0.367 nan 8.150 nan 0.000 0.443 404 Y N -0.332 119.998 120.300 0.050 0.000 2.224 404 Y HA -0.139 4.412 4.550 0.001 0.000 0.289 404 Y C 2.752 178.586 175.900 -0.110 0.000 1.146 404 Y CA 0.195 58.292 58.100 -0.005 0.000 1.182 404 Y CB -0.469 37.950 38.460 -0.068 0.000 0.983 404 Y HN 0.417 nan 8.280 nan 0.000 0.524 405 G N -1.146 107.620 108.800 -0.057 0.000 2.509 405 G HA2 -0.193 3.768 3.960 0.001 0.000 0.218 405 G HA3 -0.193 3.768 3.960 0.001 0.000 0.218 405 G C 0.290 174.914 174.900 -0.459 0.000 1.124 405 G CA 0.755 45.664 45.100 -0.317 0.000 0.776 405 G HN 0.489 nan 8.290 nan 0.000 0.547 406 H N -1.058 117.986 119.070 -0.044 0.000 2.492 406 H HA 0.186 4.742 4.556 0.001 0.000 0.264 406 H C 1.829 177.466 175.328 0.516 0.000 1.150 406 H CA -0.085 56.042 56.048 0.131 0.000 0.962 406 H CB 0.400 30.003 29.762 -0.265 0.000 1.766 406 H HN 0.507 nan 8.280 nan 0.000 0.589 407 Q N -0.312 119.765 119.800 0.462 0.000 2.435 407 Q HA -0.045 4.296 4.340 0.001 0.000 0.207 407 Q C -0.198 176.099 176.000 0.495 0.000 0.956 407 Q CA 0.789 56.894 55.803 0.504 0.000 0.917 407 Q CB 0.296 29.238 28.738 0.341 0.000 0.997 407 Q HN 0.246 nan 8.270 nan 0.000 0.497 408 D N 0.857 121.578 120.400 0.536 0.000 2.870 408 D HA 0.038 4.679 4.640 0.001 0.000 0.241 408 D C -1.335 175.386 176.300 0.702 0.000 1.234 408 D CA 0.087 54.452 54.000 0.609 0.000 0.844 408 D CB -0.105 41.086 40.800 0.652 0.000 1.051 408 D HN 0.254 nan 8.370 nan 0.000 0.469 409 Y N 1.316 121.874 120.300 0.429 0.000 2.327 409 Y HA 0.304 4.855 4.550 0.001 0.000 0.325 409 Y C -2.583 173.459 175.900 0.238 0.000 0.999 409 Y CA -2.852 55.414 58.100 0.276 0.000 1.195 409 Y CB 1.381 39.972 38.460 0.219 0.000 1.132 409 Y HN -0.150 nan 8.280 nan 0.000 0.455 410 P HA -0.023 nan 4.420 nan 0.000 0.264 410 P C 0.673 177.846 177.300 -0.211 0.000 1.193 410 P CA 0.357 63.437 63.100 -0.034 0.000 0.763 410 P CB 0.381 32.087 31.700 0.010 0.000 0.810 411 F N 3.496 123.362 119.950 -0.139 0.000 2.202 411 F HA -0.237 4.291 4.527 0.001 0.000 0.301 411 F C 1.724 177.451 175.800 -0.123 0.000 1.082 411 F CA 1.790 59.712 58.000 -0.131 0.000 1.313 411 F CB -0.147 38.850 39.000 -0.005 0.000 1.024 411 F HN 0.324 nan 8.300 nan 0.000 0.495 412 E N 0.163 120.333 120.200 -0.049 0.000 2.118 412 E HA -0.195 4.156 4.350 0.001 0.000 0.195 412 E C 2.141 178.626 176.600 -0.191 0.000 0.992 412 E CA 1.513 57.858 56.400 -0.093 0.000 0.804 412 E CB -0.303 29.399 29.700 0.003 0.000 0.741 412 E HN 0.384 nan 8.360 nan 0.000 0.458 413 E N 0.142 120.182 120.200 -0.267 0.000 2.072 413 E HA -0.132 4.218 4.350 0.001 0.000 0.191 413 E C 2.116 178.592 176.600 -0.207 0.000 0.985 413 E CA 0.455 56.705 56.400 -0.249 0.000 0.801 413 E CB -0.320 29.158 29.700 -0.370 0.000 0.750 413 E HN 0.180 nan 8.360 nan 0.000 0.452 414 L N 0.854 121.858 121.223 -0.366 0.000 2.012 414 L HA -0.151 4.190 4.340 0.001 0.000 0.210 414 L C 2.320 179.062 176.870 -0.214 0.000 1.073 414 L CA 1.365 56.147 54.840 -0.097 0.000 0.748 414 L CB -0.661 41.285 42.059 -0.188 0.000 0.891 414 L HN -0.101 nan 8.230 nan 0.000 0.431 415 V N -0.056 119.600 119.914 -0.431 0.000 2.287 415 V HA -0.259 3.862 4.120 0.001 0.000 0.248 415 V C 2.668 178.662 176.094 -0.167 0.000 1.053 415 V CA 1.970 64.057 62.300 -0.354 0.000 1.027 415 V CB -0.670 30.915 31.823 -0.397 0.000 0.646 415 V HN 0.485 nan 8.190 nan 0.000 0.447 416 E N -0.096 120.031 120.200 -0.122 0.000 2.107 416 E HA -0.203 4.148 4.350 0.001 0.000 0.191 416 E C 2.183 178.775 176.600 -0.014 0.000 0.982 416 E CA 0.999 57.367 56.400 -0.054 0.000 0.809 416 E CB -0.190 29.488 29.700 -0.037 0.000 0.756 416 E HN 0.433 nan 8.360 nan 0.000 0.459 417 K N 0.970 121.380 120.400 0.017 0.000 2.155 417 K HA 0.010 4.331 4.320 0.001 0.000 0.203 417 K C 1.903 178.531 176.600 0.047 0.000 1.052 417 K CA 0.496 56.823 56.287 0.067 0.000 0.948 417 K CB -0.157 32.438 32.500 0.158 0.000 0.728 417 K HN 0.045 nan 8.250 nan 0.000 0.448 418 L N -0.118 121.116 121.223 0.019 0.000 2.599 418 L HA 0.144 4.485 4.340 0.001 0.000 0.230 418 L C 1.022 177.893 176.870 0.001 0.000 1.141 418 L CA 0.190 55.040 54.840 0.015 0.000 0.877 418 L CB -0.677 41.373 42.059 -0.014 0.000 1.009 418 L HN 0.356 nan 8.230 nan 0.000 0.447 419 A N 0.396 123.213 122.820 -0.006 0.000 5.457 419 A HA -0.274 4.047 4.320 0.001 0.000 0.283 419 A C -0.036 177.534 177.584 -0.023 0.000 2.087 419 A CA 1.128 53.159 52.037 -0.009 0.000 0.716 419 A CB -1.041 17.960 19.000 0.003 0.000 1.174 419 A HN 0.163 nan 8.150 nan 0.000 0.356 420 I N -1.129 119.431 120.570 -0.016 0.000 2.722 420 I HA 0.586 4.757 4.170 0.001 0.000 0.292 420 I C -0.060 176.050 176.117 -0.010 0.000 1.267 420 I CA 0.364 61.651 61.300 -0.020 0.000 1.036 420 I CB 2.210 40.200 38.000 -0.018 0.000 1.281 420 I HN 1.512 nan 8.210 nan 0.000 0.423 421 A N 6.341 129.153 122.820 -0.013 0.000 3.355 421 A HA 0.420 4.741 4.320 0.001 0.000 0.290 421 A C 0.603 178.184 177.584 -0.006 0.000 0.973 421 A CA -0.430 51.605 52.037 -0.002 0.000 0.933 421 A CB 0.235 19.240 19.000 0.007 0.000 1.138 421 A HN 0.852 nan 8.150 nan 0.000 0.490 422 R N 0.750 121.244 120.500 -0.009 0.000 2.040 422 R HA 0.088 4.429 4.340 0.001 0.000 0.219 422 R C -0.515 175.781 176.300 -0.008 0.000 1.216 422 R CA 1.040 57.132 56.100 -0.013 0.000 0.952 422 R CB 0.038 30.329 30.300 -0.015 0.000 0.833 422 R HN 0.552 nan 8.270 nan 0.000 0.456 423 D N -1.131 119.265 120.400 -0.007 0.000 8.877 423 D HA -0.151 4.489 4.640 0.001 0.000 0.270 423 D C -0.045 176.246 176.300 -0.015 0.000 2.474 423 D CA 0.225 54.220 54.000 -0.009 0.000 2.317 423 D CB -0.107 40.690 40.800 -0.005 0.000 0.943 423 D HN 0.186 nan 8.370 nan 0.000 0.652 424 L N 3.627 124.838 121.223 -0.019 0.000 2.376 424 L HA 0.018 4.359 4.340 0.001 0.000 0.219 424 L C 2.369 179.205 176.870 -0.057 0.000 1.133 424 L CA 2.236 57.060 54.840 -0.027 0.000 0.816 424 L CB -0.373 41.674 42.059 -0.021 0.000 0.933 424 L HN 0.536 nan 8.230 nan 0.000 0.449 425 S N -0.845 114.821 115.700 -0.056 0.000 2.603 425 S HA 0.104 4.574 4.470 0.001 0.000 0.220 425 S C 0.735 175.290 174.600 -0.076 0.000 0.967 425 S CA -0.461 57.690 58.200 -0.082 0.000 0.920 425 S CB -0.200 62.964 63.200 -0.061 0.000 0.773 425 S HN 0.530 nan 8.310 nan 0.000 0.529 426 R N -0.412 120.061 120.500 -0.045 0.000 2.810 426 R HA 0.502 4.843 4.340 0.001 0.000 0.266 426 R C -1.516 174.781 176.300 -0.005 0.000 1.061 426 R CA -1.022 55.071 56.100 -0.012 0.000 0.943 426 R CB 0.390 30.704 30.300 0.024 0.000 1.237 426 R HN -0.026 nan 8.270 nan 0.000 0.459 427 N N 1.170 119.889 118.700 0.032 0.000 2.472 427 N HA 0.409 5.150 4.740 0.001 0.000 0.289 427 N C -2.457 173.031 175.510 -0.036 0.000 1.156 427 N CA -1.492 51.565 53.050 0.012 0.000 0.940 427 N CB 1.797 40.337 38.487 0.087 0.000 1.200 427 N HN 0.373 nan 8.380 nan 0.000 0.511 428 P HA 0.121 nan 4.420 nan 0.000 0.271 428 P C 0.853 178.048 177.300 -0.175 0.000 1.216 428 P CA 0.063 63.110 63.100 -0.088 0.000 0.771 428 P CB 1.033 32.692 31.700 -0.068 0.000 0.864 429 L N 0.074 121.229 121.223 -0.112 0.000 3.737 429 L HA -0.305 4.036 4.340 0.001 0.000 0.370 429 L C 0.456 177.404 176.870 0.131 0.000 0.709 429 L CA 1.706 56.511 54.840 -0.058 0.000 2.983 429 L CB -1.596 40.438 42.059 -0.042 0.000 0.704 429 L HN 0.525 nan 8.230 nan 0.000 0.728 430 F N -3.101 116.945 119.950 0.160 0.000 2.619 430 F HA 0.597 5.124 4.527 0.001 0.000 0.308 430 F C 0.156 176.076 175.800 0.201 0.000 1.097 430 F CA -1.084 57.003 58.000 0.145 0.000 0.953 430 F CB 0.827 39.883 39.000 0.093 0.000 1.287 430 F HN -0.235 nan 8.300 nan 0.000 0.446 431 D N 0.515 121.147 120.400 0.387 0.000 2.431 431 D HA 0.116 4.757 4.640 0.001 0.000 0.213 431 D C -0.143 176.397 176.300 0.400 0.000 1.130 431 D CA 0.614 54.846 54.000 0.386 0.000 0.834 431 D CB 1.259 42.215 40.800 0.261 0.000 0.985 431 D HN 0.601 nan 8.370 nan 0.000 0.504 432 T N -0.137 114.616 114.554 0.332 0.000 2.903 432 T HA 0.512 4.863 4.350 0.001 0.000 0.299 432 T C -1.369 173.350 174.700 0.032 0.000 1.093 432 T CA -0.493 61.751 62.100 0.240 0.000 1.002 432 T CB 2.052 71.116 68.868 0.328 0.000 1.127 432 T HN -0.303 nan 8.240 nan 0.000 0.488 433 V N 3.956 123.845 119.914 -0.042 0.000 2.735 433 V HA 0.708 4.828 4.120 0.001 0.000 0.310 433 V C -1.040 175.075 176.094 0.034 0.000 1.061 433 V CA -0.911 61.291 62.300 -0.164 0.000 0.913 433 V CB 1.816 33.436 31.823 -0.339 0.000 1.005 433 V HN 0.864 nan 8.190 nan 0.000 0.428 434 F N 3.708 123.581 119.950 -0.129 0.000 2.507 434 F HA 0.785 5.313 4.527 0.001 0.000 0.325 434 F C 0.066 175.842 175.800 -0.041 0.000 1.116 434 F CA -0.058 57.848 58.000 -0.156 0.000 0.930 434 F CB 1.924 40.786 39.000 -0.229 0.000 1.146 434 F HN 0.611 nan 8.300 nan 0.000 0.447 435 T N 3.062 117.160 114.554 -0.759 0.000 2.906 435 T HA 0.673 5.024 4.350 0.001 0.000 0.295 435 T C -1.647 172.690 174.700 -0.604 0.000 1.061 435 T CA -0.660 61.153 62.100 -0.479 0.000 1.000 435 T CB 1.814 70.570 68.868 -0.187 0.000 1.103 435 T HN 0.583 nan 8.240 nan 0.000 0.486 436 F N 1.729 121.488 119.950 -0.319 0.000 2.557 436 F HA 0.704 5.232 4.527 0.001 0.000 0.316 436 F C -1.209 174.584 175.800 -0.012 0.000 1.141 436 F CA -0.637 57.267 58.000 -0.161 0.000 0.922 436 F CB 2.111 41.129 39.000 0.031 0.000 1.194 436 F HN 0.778 nan 8.300 nan 0.000 0.443 437 Q N 3.039 122.415 119.800 -0.706 0.000 2.528 437 Q HA 0.450 4.791 4.340 0.001 0.000 0.289 437 Q C -1.348 174.247 176.000 -0.675 0.000 1.091 437 Q CA -0.965 54.499 55.803 -0.564 0.000 0.797 437 Q CB 1.666 30.237 28.738 -0.278 0.000 1.466 437 Q HN 0.633 nan 8.270 nan 0.000 0.436 438 N N 0.194 118.657 118.700 -0.394 0.000 2.914 438 N HA 0.388 5.129 4.740 0.001 0.000 0.304 438 N C -1.182 174.244 175.510 -0.140 0.000 1.727 438 N CA -0.101 52.798 53.050 -0.251 0.000 0.986 438 N CB 0.882 39.267 38.487 -0.171 0.000 1.297 438 N HN 0.625 nan 8.380 nan 0.000 0.490 439 S N 0.260 115.884 115.700 -0.127 0.000 3.381 439 S HA -0.239 4.232 4.470 0.001 0.000 0.636 439 S C -0.539 174.019 174.600 -0.069 0.000 2.614 439 S CA 0.742 58.896 58.200 -0.077 0.000 2.810 439 S CB -0.600 62.572 63.200 -0.047 0.000 0.331 439 S HN 0.492 nan 8.310 nan 0.000 1.788 440 T N 1.758 116.284 114.554 -0.047 0.000 4.021 440 T HA 0.297 4.647 4.350 0.001 0.000 0.284 440 T C -1.037 173.648 174.700 -0.025 0.000 0.667 440 T CA 0.290 62.367 62.100 -0.038 0.000 0.909 440 T CB 0.226 69.067 68.868 -0.044 0.000 1.279 440 T HN 1.019 nan 8.240 nan 0.000 0.467 441 E N 1.949 122.139 120.200 -0.018 0.000 1.619 441 E HA -0.233 4.118 4.350 0.001 0.000 0.373 441 E C 0.641 177.238 176.600 -0.004 0.000 0.595 441 E CA 1.070 57.465 56.400 -0.009 0.000 1.375 441 E CB 0.322 30.018 29.700 -0.007 0.000 0.301 441 E HN 0.724 nan 8.360 nan 0.000 0.368 442 E N 1.936 122.137 120.200 0.001 0.000 2.447 442 E HA 0.102 4.453 4.350 0.001 0.000 0.195 442 E C -0.059 176.550 176.600 0.014 0.000 1.028 442 E CA 0.537 56.940 56.400 0.006 0.000 0.876 442 E CB 1.008 30.712 29.700 0.007 0.000 0.885 442 E HN 0.218 nan 8.360 nan 0.000 0.500 443 V N 1.742 121.664 119.914 0.013 0.000 2.697 443 V HA 0.112 4.233 4.120 0.001 0.000 0.296 443 V C -0.075 176.029 176.094 0.017 0.000 1.140 443 V CA -0.451 61.860 62.300 0.019 0.000 0.921 443 V CB 1.457 33.293 31.823 0.022 0.000 1.036 443 V HN 0.209 nan 8.190 nan 0.000 0.438 444 M N 4.854 124.466 119.600 0.021 0.000 2.461 444 M HA 0.375 4.856 4.480 0.001 0.000 0.255 444 M C 0.622 176.933 176.300 0.020 0.000 1.137 444 M CA 0.936 56.247 55.300 0.018 0.000 1.086 444 M CB 0.296 32.909 32.600 0.021 0.000 1.356 444 M HN 1.336 nan 8.290 nan 0.000 0.487 445 T N 0.084 114.653 114.554 0.025 0.000 0.541 445 T HA -0.083 4.268 4.350 0.001 0.000 0.774 445 T C -0.777 173.930 174.700 0.012 0.000 0.992 445 T CA -0.149 61.963 62.100 0.020 0.000 4.077 445 T CB -0.745 68.133 68.868 0.016 0.000 2.303 445 T HN 0.399 nan 8.240 nan 0.000 0.398 446 L N 3.251 124.477 121.223 0.004 0.000 2.283 446 L HA 0.745 5.086 4.340 0.001 0.000 0.259 446 L C -1.066 175.811 176.870 0.011 0.000 1.027 446 L CA -1.859 52.974 54.840 -0.010 0.000 0.828 446 L CB 1.285 43.305 42.059 -0.065 0.000 1.380 446 L HN 0.641 nan 8.230 nan 0.000 0.425 447 P HA -0.160 nan 4.420 nan 0.000 0.215 447 P C 0.221 177.542 177.300 0.035 0.000 1.157 447 P CA 1.551 64.669 63.100 0.030 0.000 0.874 447 P CB 0.429 32.154 31.700 0.040 0.000 0.790 448 E N -2.042 118.187 120.200 0.049 0.000 2.583 448 E HA 0.181 4.532 4.350 0.001 0.000 0.213 448 E C 0.221 176.852 176.600 0.052 0.000 0.989 448 E CA 0.029 56.461 56.400 0.053 0.000 0.991 448 E CB 0.289 30.032 29.700 0.071 0.000 1.040 448 E HN 0.231 nan 8.360 nan 0.000 0.481 449 C N 0.011 119.332 119.300 0.035 0.000 3.154 449 C HA 0.633 5.094 4.460 0.001 0.000 0.312 449 C C -0.054 174.956 174.990 0.033 0.000 1.349 449 C CA -0.766 58.274 59.018 0.038 0.000 1.518 449 C CB 1.778 29.528 27.740 0.016 0.000 1.934 449 C HN 0.292 nan 8.230 nan 0.000 0.462 450 T N 0.222 114.803 114.554 0.045 0.000 2.841 450 T HA 0.728 5.079 4.350 0.001 0.000 0.285 450 T C -1.097 173.633 174.700 0.050 0.000 0.991 450 T CA -0.480 61.645 62.100 0.042 0.000 0.966 450 T CB 0.560 69.453 68.868 0.042 0.000 0.962 450 T HN 0.519 nan 8.240 nan 0.000 0.438 451 L N 2.562 123.812 121.223 0.046 0.000 2.309 451 L HA 0.888 5.229 4.340 0.001 0.000 0.282 451 L C 0.246 177.143 176.870 0.046 0.000 1.036 451 L CA -0.939 53.930 54.840 0.049 0.000 0.806 451 L CB 1.390 43.481 42.059 0.053 0.000 1.220 451 L HN 1.054 nan 8.230 nan 0.000 0.429 452 A N 3.935 126.787 122.820 0.054 0.000 2.599 452 A HA 0.849 5.170 4.320 0.001 0.000 0.290 452 A C -2.909 174.720 177.584 0.075 0.000 1.101 452 A CA -1.325 50.745 52.037 0.056 0.000 0.674 452 A CB 1.610 20.645 19.000 0.059 0.000 1.277 452 A HN 0.418 nan 8.150 nan 0.000 0.419 453 P HA 0.351 nan 4.420 nan 0.000 0.269 453 P C -0.046 177.353 177.300 0.164 0.000 1.215 453 P CA 0.087 63.241 63.100 0.090 0.000 0.780 453 P CB 0.364 32.091 31.700 0.044 0.000 0.898 454 F N 1.275 121.232 119.950 0.012 0.000 2.536 454 F HA 0.273 4.801 4.527 0.001 0.000 0.278 454 F C 0.526 176.335 175.800 0.015 0.000 0.945 454 F CA 0.808 58.819 58.000 0.018 0.000 1.244 454 F CB 0.118 39.135 39.000 0.029 0.000 1.118 454 F HN 0.059 nan 8.300 nan 0.000 0.725 455 M N 0.830 120.365 119.600 -0.108 0.000 2.371 455 M HA 0.187 4.668 4.480 0.001 0.000 0.301 455 M C 1.696 177.935 176.300 -0.102 0.000 1.173 455 M CA 0.320 55.496 55.300 -0.206 0.000 1.020 455 M CB 0.383 32.950 32.600 -0.056 0.000 1.490 455 M HN 0.259 nan 8.290 nan 0.000 0.485 456 T N -1.928 112.573 114.554 -0.087 0.000 3.155 456 T HA 0.009 4.360 4.350 0.001 0.000 0.264 456 T C -0.335 174.347 174.700 -0.030 0.000 1.160 456 T CA 0.192 62.259 62.100 -0.056 0.000 1.075 456 T CB -0.896 67.941 68.868 -0.052 0.000 0.921 456 T HN 0.673 nan 8.240 nan 0.000 0.533 457 D N -0.216 120.173 120.400 -0.018 0.000 10.746 457 D HA -0.152 4.489 4.640 0.001 0.000 0.347 457 D C -0.031 176.265 176.300 -0.007 0.000 3.135 457 D CA 0.467 54.463 54.000 -0.007 0.000 2.657 457 D CB -1.024 39.771 40.800 -0.009 0.000 1.219 457 D HN 0.632 nan 8.370 nan 0.000 0.943 458 E N -1.674 118.523 120.200 -0.006 0.000 4.788 458 E HA -0.199 4.152 4.350 0.001 0.000 0.194 458 E C -0.570 176.033 176.600 0.005 0.000 1.477 458 E CA 1.245 57.643 56.400 -0.004 0.000 2.443 458 E CB -1.131 28.565 29.700 -0.008 0.000 2.075 458 E HN 0.706 nan 8.360 nan 0.000 0.466 459 T N 0.424 114.989 114.554 0.018 0.000 3.305 459 T HA 0.436 4.787 4.350 0.001 0.000 0.348 459 T C 0.470 175.204 174.700 0.056 0.000 1.394 459 T CA 0.073 62.195 62.100 0.036 0.000 1.549 459 T CB 1.012 69.902 68.868 0.037 0.000 0.962 459 T HN 0.598 nan 8.240 nan 0.000 0.609 460 G N 0.730 109.546 108.800 0.026 0.000 2.744 460 G HA2 -0.038 3.923 3.960 0.001 0.000 0.211 460 G HA3 -0.038 3.923 3.960 0.001 0.000 0.211 460 G C 1.326 176.218 174.900 -0.012 0.000 1.146 460 G CA 0.035 45.138 45.100 0.005 0.000 0.787 460 G HN 0.392 nan 8.290 nan 0.000 0.534 461 Q N -0.089 119.714 119.800 0.005 0.000 2.378 461 Q HA -0.004 4.337 4.340 0.001 0.000 0.205 461 Q C 0.004 176.039 176.000 0.058 0.000 0.954 461 Q CA 0.433 56.239 55.803 0.005 0.000 0.901 461 Q CB 0.164 28.909 28.738 0.011 0.000 0.981 461 Q HN 0.711 nan 8.270 nan 0.000 0.483 462 H N -0.320 118.746 119.070 -0.008 0.000 2.481 462 H HA 0.534 5.091 4.556 0.001 0.000 0.333 462 H C -1.429 173.929 175.328 0.051 0.000 1.066 462 H CA -0.422 55.639 56.048 0.022 0.000 1.209 462 H CB 1.081 30.835 29.762 -0.012 0.000 1.445 462 H HN -0.001 nan 8.280 nan 0.000 0.488 463 A N 5.712 128.363 122.820 -0.282 0.000 2.323 463 A HA 0.218 4.539 4.320 0.001 0.000 0.305 463 A C 0.923 178.425 177.584 -0.138 0.000 1.275 463 A CA -0.804 51.169 52.037 -0.107 0.000 0.804 463 A CB 0.671 19.659 19.000 -0.020 0.000 1.152 463 A HN 0.942 nan 8.150 nan 0.000 0.487 464 K N 1.846 122.198 120.400 -0.080 0.000 2.148 464 K HA 0.027 4.347 4.320 0.001 0.000 0.204 464 K C -0.519 175.844 176.600 -0.396 0.000 1.050 464 K CA 1.258 57.441 56.287 -0.172 0.000 0.942 464 K CB -0.023 32.258 32.500 -0.365 0.000 0.724 464 K HN 0.652 nan 8.250 nan 0.000 0.446 465 F N 0.088 120.122 119.950 0.140 0.000 2.594 465 F HA 0.167 4.694 4.527 0.001 0.000 0.335 465 F C 1.152 177.036 175.800 0.140 0.000 1.058 465 F CA -1.157 56.932 58.000 0.148 0.000 0.981 465 F CB 1.001 40.130 39.000 0.215 0.000 1.289 465 F HN -0.179 nan 8.300 nan 0.000 0.490 466 D N 0.586 121.207 120.400 0.367 0.000 2.133 466 D HA -0.094 4.547 4.640 0.001 0.000 0.192 466 D C -0.092 176.458 176.300 0.417 0.000 1.001 466 D CA 2.070 56.275 54.000 0.342 0.000 0.844 466 D CB -0.137 40.875 40.800 0.353 0.000 0.944 466 D HN 0.306 nan 8.370 nan 0.000 0.447 467 L N -4.657 116.785 121.223 0.364 0.000 2.582 467 L HA 0.579 4.919 4.340 0.001 0.000 0.257 467 L C -1.154 175.894 176.870 0.295 0.000 0.974 467 L CA -0.669 54.348 54.840 0.296 0.000 0.851 467 L CB 2.282 44.419 42.059 0.131 0.000 1.424 467 L HN -0.405 nan 8.230 nan 0.000 0.412 468 T N 2.560 117.261 114.554 0.244 0.000 2.786 468 T HA 0.537 4.888 4.350 0.001 0.000 0.283 468 T C -1.156 173.614 174.700 0.117 0.000 0.992 468 T CA 0.108 62.314 62.100 0.177 0.000 0.954 468 T CB 0.619 69.586 68.868 0.165 0.000 0.934 468 T HN 0.532 nan 8.240 nan 0.000 0.440 469 F N 3.044 122.926 119.950 -0.114 0.000 2.404 469 F HA 0.562 5.090 4.527 0.001 0.000 0.354 469 F C -0.043 175.528 175.800 -0.383 0.000 1.122 469 F CA -0.300 57.544 58.000 -0.259 0.000 1.080 469 F CB 0.814 39.456 39.000 -0.597 0.000 1.131 469 F HN 0.378 nan 8.300 nan 0.000 0.471 470 S N 5.039 120.368 115.700 -0.618 0.000 2.552 470 S HA 0.757 5.227 4.470 0.001 0.000 0.314 470 S C -0.584 173.704 174.600 -0.519 0.000 1.099 470 S CA -0.668 57.247 58.200 -0.475 0.000 1.070 470 S CB 1.391 64.419 63.200 -0.287 0.000 0.998 470 S HN 0.840 nan 8.310 nan 0.000 0.474 471 A N 2.976 125.597 122.820 -0.331 0.000 2.290 471 A HA 0.756 5.077 4.320 0.001 0.000 0.310 471 A C -0.088 177.519 177.584 0.039 0.000 1.202 471 A CA -0.512 51.490 52.037 -0.059 0.000 0.837 471 A CB 0.474 19.601 19.000 0.212 0.000 1.139 471 A HN 0.598 nan 8.150 nan 0.000 0.509 472 T N 2.140 116.700 114.554 0.009 0.000 2.881 472 T HA 0.321 4.672 4.350 0.001 0.000 0.291 472 T C -0.533 174.182 174.700 0.026 0.000 0.990 472 T CA -0.329 61.736 62.100 -0.060 0.000 0.976 472 T CB 1.240 70.052 68.868 -0.093 0.000 0.970 472 T HN 0.739 nan 8.240 nan 0.000 0.438 473 E N 2.415 122.618 120.200 0.004 0.000 2.070 473 E HA 0.107 4.458 4.350 0.001 0.000 0.282 473 E C 0.600 177.219 176.600 0.032 0.000 1.104 473 E CA -0.139 56.322 56.400 0.101 0.000 0.876 473 E CB 0.410 30.217 29.700 0.178 0.000 1.055 473 E HN 0.411 nan 8.360 nan 0.000 0.401 474 E N 4.804 125.031 120.200 0.044 0.000 2.463 474 E HA -0.004 4.346 4.350 0.001 0.000 0.193 474 E C 0.785 177.398 176.600 0.022 0.000 1.041 474 E CA 0.224 56.635 56.400 0.017 0.000 0.879 474 E CB 0.140 29.848 29.700 0.013 0.000 0.997 474 E HN 0.779 nan 8.360 nan 0.000 0.478 475 R N 0.291 120.813 120.500 0.037 0.000 1.990 475 R HA -0.167 4.174 4.340 0.001 0.000 0.170 475 R C 0.795 177.116 176.300 0.035 0.000 0.838 475 R CA 1.579 57.697 56.100 0.030 0.000 1.832 475 R CB -1.606 28.703 30.300 0.015 0.000 0.858 475 R HN 0.148 nan 8.270 nan 0.000 0.637 476 E N 2.923 123.144 120.200 0.035 0.000 2.498 476 E HA 0.157 4.508 4.350 0.001 0.000 0.203 476 E C -0.041 176.589 176.600 0.049 0.000 1.013 476 E CA 0.889 57.311 56.400 0.036 0.000 0.927 476 E CB 0.420 30.136 29.700 0.026 0.000 1.012 476 E HN 0.745 nan 8.360 nan 0.000 0.482 477 E N -0.359 119.879 120.200 0.063 0.000 2.398 477 E HA 0.232 4.583 4.350 0.001 0.000 0.280 477 E C -1.153 175.507 176.600 0.100 0.000 1.122 477 E CA -0.771 55.678 56.400 0.082 0.000 0.873 477 E CB 0.364 30.104 29.700 0.066 0.000 1.294 477 E HN 0.008 nan 8.360 nan 0.000 0.435 478 M N 2.438 122.115 119.600 0.128 0.000 2.185 478 M HA 0.278 4.759 4.480 0.001 0.000 0.357 478 M C -0.636 175.721 176.300 0.096 0.000 1.260 478 M CA 0.117 55.503 55.300 0.144 0.000 1.124 478 M CB 0.821 33.533 32.600 0.188 0.000 1.600 478 M HN 0.766 nan 8.290 nan 0.000 0.467 479 T N 3.099 117.689 114.554 0.059 0.000 2.895 479 T HA 0.616 4.967 4.350 0.001 0.000 0.283 479 T C -0.388 174.281 174.700 -0.053 0.000 1.014 479 T CA -0.997 61.107 62.100 0.008 0.000 1.037 479 T CB 1.416 70.274 68.868 -0.016 0.000 1.006 479 T HN 0.524 nan 8.240 nan 0.000 0.468 480 I N 2.369 122.875 120.570 -0.107 0.000 2.355 480 I HA 0.505 4.675 4.170 0.001 0.000 0.288 480 I C 0.743 176.661 176.117 -0.332 0.000 0.999 480 I CA -0.410 60.705 61.300 -0.307 0.000 1.163 480 I CB 0.882 38.734 38.000 -0.246 0.000 1.316 480 I HN 1.024 nan 8.210 nan 0.000 0.454 481 G N 5.641 114.173 108.800 -0.447 0.000 2.415 481 G HA2 0.620 4.581 3.960 0.001 0.000 0.327 481 G HA3 0.620 4.581 3.960 0.001 0.000 0.327 481 G C -1.161 173.525 174.900 -0.356 0.000 1.182 481 G CA -0.347 44.574 45.100 -0.299 0.000 0.924 481 G HN 0.295 nan 8.290 nan 0.000 0.470 482 V N 1.868 121.703 119.914 -0.132 0.000 2.443 482 V HA 0.368 4.489 4.120 0.001 0.000 0.293 482 V C -0.223 175.953 176.094 0.137 0.000 1.021 482 V CA -0.823 61.482 62.300 0.008 0.000 0.848 482 V CB 1.575 33.465 31.823 0.112 0.000 0.998 482 V HN 0.873 nan 8.190 nan 0.000 0.424 483 E N 5.250 125.516 120.200 0.109 0.000 2.134 483 E HA 0.555 4.906 4.350 0.001 0.000 0.278 483 E C -1.616 175.089 176.600 0.176 0.000 0.959 483 E CA -0.481 55.969 56.400 0.083 0.000 0.783 483 E CB 1.256 30.987 29.700 0.051 0.000 1.095 483 E HN 0.723 nan 8.360 nan 0.000 0.399 484 Y N 0.329 120.683 120.300 0.090 0.000 2.581 484 Y HA 0.512 5.063 4.550 0.001 0.000 0.345 484 Y C -0.638 175.365 175.900 0.172 0.000 1.036 484 Y CA -1.383 56.809 58.100 0.152 0.000 1.042 484 Y CB 0.950 39.492 38.460 0.138 0.000 1.289 484 Y HN 0.147 nan 8.280 nan 0.000 0.471 485 S N 1.453 117.372 115.700 0.365 0.000 2.498 485 S HA 0.051 4.521 4.470 0.001 0.000 0.281 485 S C 0.787 175.528 174.600 0.234 0.000 1.265 485 S CA 0.001 58.302 58.200 0.168 0.000 1.071 485 S CB 0.855 64.108 63.200 0.089 0.000 0.894 485 S HN 0.831 nan 8.310 nan 0.000 0.491 486 T N 2.546 117.147 114.554 0.078 0.000 2.881 486 T HA -0.123 4.227 4.350 0.001 0.000 0.270 486 T C 2.134 176.890 174.700 0.093 0.000 1.068 486 T CA 1.491 63.663 62.100 0.120 0.000 1.131 486 T CB -0.225 68.644 68.868 0.002 0.000 0.871 486 T HN 0.790 nan 8.240 nan 0.000 0.479 487 S N 0.547 116.250 115.700 0.004 0.000 2.522 487 S HA 0.166 4.637 4.470 0.001 0.000 0.227 487 S C 1.710 176.332 174.600 0.037 0.000 0.986 487 S CA 0.354 58.521 58.200 -0.055 0.000 0.929 487 S CB -0.337 62.802 63.200 -0.101 0.000 0.769 487 S HN 0.457 nan 8.310 nan 0.000 0.529 488 L N -1.657 119.554 121.223 -0.019 0.000 2.624 488 L HA 0.498 4.839 4.340 0.001 0.000 0.222 488 L C -0.462 176.099 176.870 -0.515 0.000 1.046 488 L CA 0.123 54.730 54.840 -0.388 0.000 0.872 488 L CB 0.251 41.750 42.059 -0.933 0.000 1.190 488 L HN 0.216 nan 8.230 nan 0.000 0.487 489 F N -0.022 120.067 119.950 0.231 0.000 2.563 489 F HA 0.419 4.946 4.527 0.001 0.000 0.316 489 F C 0.623 176.501 175.800 0.131 0.000 1.076 489 F CA -1.264 56.754 58.000 0.030 0.000 0.921 489 F CB 1.415 40.303 39.000 -0.186 0.000 1.209 489 F HN -0.209 nan 8.300 nan 0.000 0.462 490 T N -1.902 112.758 114.554 0.177 0.000 2.849 490 T HA 0.287 4.638 4.350 0.001 0.000 0.284 490 T C 1.243 175.953 174.700 0.016 0.000 1.004 490 T CA -0.667 61.538 62.100 0.176 0.000 1.021 490 T CB 1.416 70.339 68.868 0.092 0.000 1.013 490 T HN 0.795 nan 8.240 nan 0.000 0.527 491 R N 0.468 121.034 120.500 0.111 0.000 2.091 491 R HA -0.171 4.170 4.340 0.001 0.000 0.238 491 R C 2.299 178.587 176.300 -0.019 0.000 1.136 491 R CA 2.022 58.160 56.100 0.064 0.000 0.959 491 R CB -0.390 30.002 30.300 0.154 0.000 0.856 491 R HN 0.947 nan 8.270 nan 0.000 0.437 492 E N -0.599 119.607 120.200 0.011 0.000 2.058 492 E HA -0.189 4.162 4.350 0.001 0.000 0.194 492 E C 1.492 178.079 176.600 -0.023 0.000 0.997 492 E CA 2.002 58.404 56.400 0.002 0.000 0.801 492 E CB -0.074 29.637 29.700 0.018 0.000 0.746 492 E HN 0.350 nan 8.360 nan 0.000 0.450 493 T N 0.929 115.461 114.554 -0.036 0.000 2.759 493 T HA -0.146 4.205 4.350 0.001 0.000 0.269 493 T C 1.750 176.393 174.700 -0.094 0.000 1.042 493 T CA 1.409 63.492 62.100 -0.027 0.000 1.140 493 T CB -0.046 68.822 68.868 -0.001 0.000 0.864 493 T HN 0.199 nan 8.240 nan 0.000 0.455 494 M N 0.771 120.226 119.600 -0.241 0.000 2.236 494 M HA 0.077 4.557 4.480 0.001 0.000 0.266 494 M C 2.160 178.425 176.300 -0.058 0.000 1.070 494 M CA 1.157 56.278 55.300 -0.299 0.000 1.137 494 M CB -0.859 31.320 32.600 -0.702 0.000 1.378 494 M HN 0.350 nan 8.290 nan 0.000 0.426 495 E N -0.012 120.159 120.200 -0.049 0.000 2.110 495 E HA -0.206 4.145 4.350 0.001 0.000 0.193 495 E C 2.162 178.756 176.600 -0.010 0.000 0.988 495 E CA 0.976 57.375 56.400 -0.002 0.000 0.804 495 E CB -0.125 29.577 29.700 0.003 0.000 0.745 495 E HN 0.393 nan 8.360 nan 0.000 0.458 496 R N 0.150 120.629 120.500 -0.035 0.000 2.075 496 R HA -0.139 4.201 4.340 0.001 0.000 0.232 496 R C 2.188 178.388 176.300 -0.167 0.000 1.126 496 R CA 0.948 56.964 56.100 -0.140 0.000 0.963 496 R CB -0.269 29.965 30.300 -0.110 0.000 0.858 496 R HN 0.138 nan 8.270 nan 0.000 0.435 497 F N 1.235 121.101 119.950 -0.140 0.000 2.120 497 F HA -0.239 4.289 4.527 0.001 0.000 0.300 497 F C 2.153 177.971 175.800 0.031 0.000 1.095 497 F CA 2.080 60.002 58.000 -0.130 0.000 1.249 497 F CB -0.313 38.484 39.000 -0.339 0.000 0.995 497 F HN -0.016 nan 8.300 nan 0.000 0.480 498 S N 0.414 116.182 115.700 0.113 0.000 2.368 498 S HA -0.147 4.324 4.470 0.001 0.000 0.224 498 S C 1.965 176.642 174.600 0.129 0.000 1.029 498 S CA 1.176 59.446 58.200 0.116 0.000 0.988 498 S CB -0.358 62.897 63.200 0.093 0.000 0.838 498 S HN 0.389 nan 8.310 nan 0.000 0.462 499 R N 0.361 120.891 120.500 0.051 0.000 2.105 499 R HA -0.089 4.252 4.340 0.001 0.000 0.239 499 R C 2.122 178.503 176.300 0.135 0.000 1.135 499 R CA 1.332 57.465 56.100 0.056 0.000 0.967 499 R CB -0.485 29.804 30.300 -0.018 0.000 0.861 499 R HN 0.449 nan 8.270 nan 0.000 0.442 500 H N -0.422 118.695 119.070 0.078 0.000 2.423 500 H HA -0.116 4.441 4.556 0.001 0.000 0.297 500 H C 1.706 177.036 175.328 0.004 0.000 1.075 500 H CA 1.019 57.098 56.048 0.051 0.000 1.342 500 H CB -0.472 29.375 29.762 0.141 0.000 1.395 500 H HN 0.163 nan 8.280 nan 0.000 0.530 501 F N 1.168 121.115 119.950 -0.006 0.000 2.134 501 F HA -0.169 4.359 4.527 0.001 0.000 0.299 501 F C 2.123 177.931 175.800 0.014 0.000 1.097 501 F CA 1.090 59.071 58.000 -0.031 0.000 1.264 501 F CB -0.429 38.603 39.000 0.053 0.000 1.001 501 F HN 0.015 nan 8.300 nan 0.000 0.479 502 L N -0.149 121.146 121.223 0.120 0.000 2.141 502 L HA -0.178 4.163 4.340 0.001 0.000 0.209 502 L C 2.597 179.420 176.870 -0.078 0.000 1.094 502 L CA 1.624 56.475 54.840 0.018 0.000 0.763 502 L CB -1.337 40.789 42.059 0.112 0.000 0.908 502 L HN 0.335 nan 8.230 nan 0.000 0.437 503 T N -1.855 112.679 114.554 -0.033 0.000 2.777 503 T HA -0.148 4.203 4.350 0.001 0.000 0.266 503 T C 1.809 176.416 174.700 -0.155 0.000 1.040 503 T CA 1.009 63.075 62.100 -0.057 0.000 1.141 503 T CB -0.519 68.355 68.868 0.009 0.000 0.868 503 T HN 0.187 nan 8.240 nan 0.000 0.444 504 I N 2.080 122.519 120.570 -0.218 0.000 2.179 504 I HA -0.123 4.048 4.170 0.001 0.000 0.242 504 I C 3.234 179.102 176.117 -0.416 0.000 1.088 504 I CA 1.254 62.366 61.300 -0.313 0.000 1.357 504 I CB -0.635 37.164 38.000 -0.336 0.000 1.051 504 I HN 0.359 nan 8.210 nan 0.000 0.409 505 A N 0.707 123.228 122.820 -0.498 0.000 1.883 505 A HA -0.209 4.112 4.320 0.001 0.000 0.217 505 A C 2.543 179.951 177.584 -0.292 0.000 1.186 505 A CA 2.018 53.778 52.037 -0.463 0.000 0.624 505 A CB -0.928 17.791 19.000 -0.469 0.000 0.822 505 A HN 0.444 nan 8.150 nan 0.000 0.444 506 A N -0.538 122.157 122.820 -0.209 0.000 1.902 506 A HA -0.075 4.246 4.320 0.001 0.000 0.217 506 A C 2.450 179.943 177.584 -0.152 0.000 1.181 506 A CA 2.136 54.090 52.037 -0.138 0.000 0.623 506 A CB -0.879 18.067 19.000 -0.089 0.000 0.818 506 A HN 0.477 nan 8.150 nan 0.000 0.443 507 S N 0.126 115.715 115.700 -0.184 0.000 2.368 507 S HA -0.161 4.310 4.470 0.001 0.000 0.225 507 S C 1.827 176.297 174.600 -0.217 0.000 1.030 507 S CA 1.600 59.695 58.200 -0.175 0.000 0.999 507 S CB -0.595 62.498 63.200 -0.179 0.000 0.844 507 S HN 0.799 nan 8.310 nan 0.000 0.459 508 I N 0.127 120.488 120.570 -0.349 0.000 2.546 508 I HA 0.039 4.210 4.170 0.001 0.000 0.255 508 I C 1.902 177.858 176.117 -0.267 0.000 1.163 508 I CA 0.765 61.791 61.300 -0.457 0.000 1.457 508 I CB -0.983 36.364 38.000 -1.089 0.000 1.092 508 I HN 0.023 nan 8.210 nan 0.000 0.434 509 V N 0.846 120.635 119.914 -0.208 0.000 2.358 509 V HA -0.256 3.865 4.120 0.001 0.000 0.246 509 V C 2.781 178.832 176.094 -0.071 0.000 1.047 509 V CA 2.218 64.453 62.300 -0.110 0.000 1.035 509 V CB -0.905 30.867 31.823 -0.086 0.000 0.658 509 V HN 0.639 nan 8.190 nan 0.000 0.452 510 Q N 0.364 120.117 119.800 -0.078 0.000 2.061 510 Q HA -0.204 4.137 4.340 0.001 0.000 0.204 510 Q C 0.819 176.802 176.000 -0.030 0.000 0.984 510 Q CA 1.840 57.615 55.803 -0.047 0.000 0.846 510 Q CB 0.094 28.801 28.738 -0.053 0.000 0.902 510 Q HN 0.614 nan 8.270 nan 0.000 0.421 511 N N -0.831 117.841 118.700 -0.047 0.000 2.653 511 N HA 0.204 4.945 4.740 0.001 0.000 0.261 511 N C -2.560 172.928 175.510 -0.037 0.000 1.216 511 N CA -1.600 51.445 53.050 -0.008 0.000 0.784 511 N CB 1.681 40.173 38.487 0.009 0.000 1.327 511 N HN -0.106 nan 8.380 nan 0.000 0.539 512 P HA -0.037 nan 4.420 nan 0.000 0.225 512 P C 0.412 177.621 177.300 -0.152 0.000 1.148 512 P CA 1.090 64.128 63.100 -0.103 0.000 0.779 512 P CB 0.119 31.698 31.700 -0.201 0.000 0.780 513 H N -1.611 117.512 119.070 0.089 0.000 2.539 513 H HA 0.198 4.755 4.556 0.001 0.000 0.269 513 H C 1.085 176.449 175.328 0.059 0.000 0.980 513 H CA -0.557 55.535 56.048 0.074 0.000 1.152 513 H CB -0.048 29.738 29.762 0.041 0.000 1.407 513 H HN 0.220 nan 8.280 nan 0.000 0.564 514 I N 2.378 123.016 120.570 0.113 0.000 2.815 514 I HA -0.107 4.064 4.170 0.001 0.000 0.291 514 I C 0.300 176.460 176.117 0.072 0.000 1.209 514 I CA 0.083 61.420 61.300 0.060 0.000 1.431 514 I CB 0.501 38.500 38.000 -0.002 0.000 1.351 514 I HN 0.044 nan 8.210 nan 0.000 0.585 515 R N 6.774 127.299 120.500 0.041 0.000 2.441 515 R HA 0.197 4.537 4.340 0.001 0.000 0.284 515 R C 1.066 177.366 176.300 0.000 0.000 1.070 515 R CA -0.634 55.484 56.100 0.029 0.000 1.047 515 R CB 0.818 31.126 30.300 0.012 0.000 1.016 515 R HN 0.719 nan 8.270 nan 0.000 0.477 516 L N 1.628 122.844 121.223 -0.013 0.000 2.043 516 L HA -0.199 4.142 4.340 0.001 0.000 0.212 516 L C 2.309 179.135 176.870 -0.073 0.000 1.075 516 L CA 1.910 56.716 54.840 -0.056 0.000 0.752 516 L CB -0.740 41.240 42.059 -0.131 0.000 0.891 516 L HN 0.934 nan 8.230 nan 0.000 0.432 517 G N -0.642 108.120 108.800 -0.064 0.000 2.448 517 G HA2 -0.222 3.739 3.960 0.001 0.000 0.219 517 G HA3 -0.222 3.739 3.960 0.001 0.000 0.219 517 G C 1.370 176.235 174.900 -0.059 0.000 1.127 517 G CA 0.399 45.461 45.100 -0.063 0.000 0.766 517 G HN 0.304 nan 8.290 nan 0.000 0.552 518 E N -0.255 119.915 120.200 -0.049 0.000 2.435 518 E HA 0.167 4.518 4.350 0.001 0.000 0.195 518 E C 0.903 177.466 176.600 -0.062 0.000 1.029 518 E CA -0.314 56.058 56.400 -0.047 0.000 0.865 518 E CB 0.016 29.698 29.700 -0.031 0.000 0.833 518 E HN 0.401 nan 8.360 nan 0.000 0.510 519 I N 2.226 122.751 120.570 -0.076 0.000 2.576 519 I HA -0.075 4.096 4.170 0.001 0.000 0.288 519 I C 0.237 176.288 176.117 -0.110 0.000 1.126 519 I CA 0.023 61.262 61.300 -0.102 0.000 1.362 519 I CB 0.117 38.042 38.000 -0.126 0.000 1.419 519 I HN -0.096 nan 8.210 nan 0.000 0.533 520 D N 7.375 127.713 120.400 -0.103 0.000 2.435 520 D HA 0.035 4.676 4.640 0.001 0.000 0.230 520 D C 0.849 177.069 176.300 -0.134 0.000 1.215 520 D CA 0.041 53.977 54.000 -0.106 0.000 0.947 520 D CB 0.756 41.508 40.800 -0.080 0.000 1.048 520 D HN 0.510 nan 8.370 nan 0.000 0.512 521 M N 3.159 122.650 119.600 -0.181 0.000 2.349 521 M HA 0.024 4.505 4.480 0.001 0.000 0.266 521 M C -0.364 175.723 176.300 -0.354 0.000 1.076 521 M CA 0.670 55.810 55.300 -0.266 0.000 1.126 521 M CB 0.045 32.455 32.600 -0.317 0.000 1.392 521 M HN 0.412 nan 8.290 nan 0.000 0.440 522 L N 0.000 121.066 121.223 -0.262 0.000 2.949 522 L HA 0.000 4.341 4.340 0.001 0.000 0.249 522 L CA 0.000 54.722 54.840 -0.197 0.000 0.813 522 L CB 0.000 42.012 42.059 -0.079 0.000 0.961 522 L HN 0.000 nan 8.230 nan 0.000 0.502