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 3ie0_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRIVPFGAAR EVTGSAHLLL AGGRRVLLDC GMFQGKEEAR NHAPFGFDPK DATA SEQUENCE EVDAVLLTHA HLDHVGRLPK LFREGYRGPV YATRATVLLM EIVLEDALKV DATA SEQUENCE MDEPFFGPED VEEALGHLRP LEYGEWLRLG ALSLAFGQAG HLPGSAFVVA DATA SEQUENCE QGEGRTLVYS GDLGNREKDV LPDPSLPPLA DLVLAEGTYG DRPHRPYRET DATA SEQUENCE VREFLEILEK TLSQGGKVLI PTFAVERAQE ILYVLYTHGH RLPRAPIYLD DATA SEQUENCE SPMAGRVLSL YPRLVRYFSE EVQAHFLQGK NPFRPAGLEV VEHTEASKAL DATA SEQUENCE NRAPGPMVVL AGSGMLAGGR ILHHLKHGLS DPRNALVFVG YQPQGGLGAE DATA SEQUENCE IIARPPAVRI LGEEVPLRAS VHTLGGFYGH AGQDELLDWL QGEPRVVLVH DATA SEQUENCE GEEEKLLALG KLLALRGQEV SLARFGEGVP V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.290 176.300 -0.017 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.010 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.004 0.000 1.302 2 R N 3.043 123.528 120.500 -0.026 0.000 2.837 2 R HA 0.821 5.162 4.340 0.001 0.000 0.271 2 R C -1.488 174.778 176.300 -0.057 0.000 0.993 2 R CA -1.032 55.044 56.100 -0.039 0.000 0.931 2 R CB 2.685 32.962 30.300 -0.039 0.000 1.206 2 R HN 0.600 nan 8.270 nan 0.000 0.474 3 I N 1.326 121.848 120.570 -0.080 0.000 2.439 3 I HA 0.284 4.455 4.170 0.001 0.000 0.285 3 I C -1.380 174.640 176.117 -0.162 0.000 1.021 3 I CA -0.717 60.516 61.300 -0.112 0.000 1.091 3 I CB 2.012 39.943 38.000 -0.116 0.000 1.242 3 I HN 0.366 nan 8.210 nan 0.000 0.439 4 V N 9.783 129.572 119.914 -0.209 0.000 2.347 4 V HA 0.501 4.622 4.120 0.001 0.000 0.280 4 V C -2.249 173.519 176.094 -0.542 0.000 1.021 4 V CA -1.676 60.393 62.300 -0.385 0.000 0.847 4 V CB 1.043 32.608 31.823 -0.429 0.000 0.990 4 V HN 0.620 nan 8.190 nan 0.000 0.444 5 P HA 0.297 nan 4.420 nan 0.000 0.271 5 P C -0.547 176.262 177.300 -0.818 0.000 1.216 5 P CA 0.085 63.015 63.100 -0.282 0.000 0.776 5 P CB 0.313 31.940 31.700 -0.122 0.000 0.881 6 F N 1.767 121.532 119.950 -0.310 0.000 2.671 6 F HA 0.516 5.044 4.527 0.001 0.000 0.384 6 F C 0.739 176.501 175.800 -0.063 0.000 1.351 6 F CA 0.018 57.699 58.000 -0.532 0.000 1.151 6 F CB 0.679 39.584 39.000 -0.158 0.000 1.147 6 F HN 0.456 nan 8.300 nan 0.000 0.513 7 G N -1.099 107.816 108.800 0.191 0.000 2.321 7 G HA2 0.526 4.487 3.960 0.001 0.000 0.298 7 G HA3 0.526 4.487 3.960 0.001 0.000 0.298 7 G C 0.306 175.326 174.900 0.200 0.000 1.385 7 G CA -0.157 45.153 45.100 0.350 0.000 0.856 7 G HN 0.815 nan 8.290 nan 0.000 0.584 8 A N -1.972 120.971 122.820 0.206 0.000 3.408 8 A HA 0.157 4.477 4.320 0.001 0.000 0.269 8 A C 1.626 179.337 177.584 0.212 0.000 1.124 8 A CA 2.386 54.524 52.037 0.168 0.000 0.999 8 A CB -1.707 17.405 19.000 0.187 0.000 1.067 8 A HN 2.706 nan 8.150 nan 0.000 0.815 9 A N -1.482 121.489 122.820 0.251 0.000 2.492 9 A HA 0.554 4.875 4.320 0.001 0.000 0.254 9 A C 1.233 178.903 177.584 0.143 0.000 1.091 9 A CA 1.152 53.304 52.037 0.191 0.000 0.768 9 A CB -0.096 19.030 19.000 0.210 0.000 1.028 9 A HN 1.510 nan 8.150 nan 0.000 0.498 10 R N -0.960 119.598 120.500 0.097 0.000 4.010 10 R HA -0.240 4.101 4.340 0.001 0.000 0.409 10 R C 0.057 176.385 176.300 0.046 0.000 1.120 10 R CA 2.412 58.548 56.100 0.062 0.000 1.244 10 R CB -1.638 28.694 30.300 0.054 0.000 1.799 10 R HN 1.036 nan 8.270 nan 0.000 0.559 11 E N -1.823 118.414 120.200 0.061 0.000 2.393 11 E HA 0.416 4.766 4.350 0.001 0.000 0.273 11 E C 0.582 177.163 176.600 -0.031 0.000 0.918 11 E CA -0.345 56.069 56.400 0.024 0.000 0.773 11 E CB 1.485 31.220 29.700 0.057 0.000 1.275 11 E HN -0.007 nan 8.360 nan 0.000 0.451 12 V N -0.919 118.916 119.914 -0.131 0.000 3.380 12 V HA 0.052 4.173 4.120 0.001 0.000 0.268 12 V C 0.446 176.267 176.094 -0.455 0.000 1.168 12 V CA 1.563 63.623 62.300 -0.399 0.000 1.156 12 V CB -1.247 30.337 31.823 -0.398 0.000 0.785 12 V HN 0.766 nan 8.190 nan 0.000 0.487 13 T N -4.579 109.881 114.554 -0.157 0.000 2.910 13 T HA 0.719 5.070 4.350 0.001 0.000 0.287 13 T C 0.987 175.594 174.700 -0.155 0.000 1.050 13 T CA 0.143 62.161 62.100 -0.137 0.000 1.011 13 T CB 1.324 70.171 68.868 -0.034 0.000 1.195 13 T HN 1.475 nan 8.240 nan 0.000 0.540 14 G N 0.441 108.965 108.800 -0.461 0.000 2.199 14 G HA2 -0.273 3.687 3.960 0.001 0.000 0.254 14 G HA3 -0.273 3.687 3.960 0.001 0.000 0.254 14 G C 0.304 174.861 174.900 -0.572 0.000 0.982 14 G CA 0.032 44.511 45.100 -1.036 0.000 0.632 14 G HN 1.345 nan 8.290 nan 0.000 0.529 15 S N 0.663 116.129 115.700 -0.390 0.000 4.004 15 S HA 0.323 4.794 4.470 0.001 0.000 0.480 15 S C 0.512 174.846 174.600 -0.445 0.000 1.098 15 S CA 1.193 59.169 58.200 -0.373 0.000 1.033 15 S CB 0.070 62.985 63.200 -0.474 0.000 0.714 15 S HN 2.041 nan 8.310 nan 0.000 0.501 16 A N 4.644 127.024 122.820 -0.734 0.000 2.512 16 A HA 0.596 4.916 4.320 0.001 0.000 0.294 16 A C -1.141 175.968 177.584 -0.791 0.000 1.054 16 A CA -0.824 50.907 52.037 -0.509 0.000 0.756 16 A CB 1.132 20.038 19.000 -0.158 0.000 1.293 16 A HN 0.774 nan 8.150 nan 0.000 0.395 17 H N 2.519 121.489 119.070 -0.166 0.000 3.108 17 H HA 0.363 4.920 4.556 0.001 0.000 0.329 17 H C -1.300 173.882 175.328 -0.243 0.000 0.978 17 H CA -0.655 55.246 56.048 -0.246 0.000 1.413 17 H CB 1.709 31.226 29.762 -0.408 0.000 1.670 17 H HN 0.571 nan 8.280 nan 0.000 0.512 18 L N 4.089 125.239 121.223 -0.121 0.000 2.319 18 L HA 0.228 4.569 4.340 0.001 0.000 0.280 18 L C -0.657 176.129 176.870 -0.140 0.000 1.099 18 L CA -0.498 54.214 54.840 -0.213 0.000 0.828 18 L CB 0.457 42.356 42.059 -0.267 0.000 1.150 18 L HN 0.475 nan 8.230 nan 0.000 0.442 19 L N 6.519 127.668 121.223 -0.124 0.000 2.272 19 L HA 0.508 4.849 4.340 0.001 0.000 0.289 19 L C -1.212 175.618 176.870 -0.066 0.000 1.032 19 L CA -0.000 54.793 54.840 -0.078 0.000 0.810 19 L CB 0.855 42.886 42.059 -0.046 0.000 1.205 19 L HN 0.561 nan 8.230 nan 0.000 0.422 20 L N 6.542 127.735 121.223 -0.050 0.000 2.294 20 L HA 0.909 5.250 4.340 0.001 0.000 0.283 20 L C -0.262 176.596 176.870 -0.020 0.000 1.015 20 L CA -0.306 54.515 54.840 -0.032 0.000 0.831 20 L CB 1.113 43.157 42.059 -0.023 0.000 1.217 20 L HN 0.871 nan 8.230 nan 0.000 0.420 21 A N 1.740 124.552 122.820 -0.013 0.000 2.581 21 A HA 0.591 4.912 4.320 0.001 0.000 0.294 21 A C 0.350 177.932 177.584 -0.002 0.000 1.035 21 A CA 0.051 52.084 52.037 -0.006 0.000 0.684 21 A CB 0.891 19.889 19.000 -0.004 0.000 1.282 21 A HN 0.903 nan 8.150 nan 0.000 0.417 22 G N -0.283 108.516 108.800 -0.001 0.000 2.168 22 G HA2 0.228 4.189 3.960 0.001 0.000 0.257 22 G HA3 0.228 4.189 3.960 0.001 0.000 0.257 22 G C 1.805 176.705 174.900 0.001 0.000 0.997 22 G CA 1.567 46.667 45.100 -0.000 0.000 0.708 22 G HN 3.029 nan 8.290 nan 0.000 0.520 23 G N -1.937 106.863 108.800 0.001 0.000 2.143 23 G HA2 -0.228 3.733 3.960 0.001 0.000 0.248 23 G HA3 -0.228 3.733 3.960 0.001 0.000 0.248 23 G C 0.382 175.285 174.900 0.006 0.000 0.991 23 G CA 1.205 46.308 45.100 0.004 0.000 0.689 23 G HN 0.975 nan 8.290 nan 0.000 0.522 24 R N -0.864 119.639 120.500 0.004 0.000 2.912 24 R HA 0.707 5.048 4.340 0.001 0.000 0.262 24 R C -0.152 176.144 176.300 -0.006 0.000 1.057 24 R CA -0.899 55.204 56.100 0.006 0.000 0.981 24 R CB 1.188 31.494 30.300 0.009 0.000 1.201 24 R HN 0.310 nan 8.270 nan 0.000 0.484 25 R N 0.476 120.969 120.500 -0.010 0.000 2.451 25 R HA 0.477 4.817 4.340 0.001 0.000 0.307 25 R C -0.968 175.298 176.300 -0.056 0.000 0.965 25 R CA -0.677 55.397 56.100 -0.043 0.000 0.865 25 R CB 2.008 32.279 30.300 -0.048 0.000 1.174 25 R HN 0.176 nan 8.270 nan 0.000 0.455 26 V N 4.461 124.333 119.914 -0.070 0.000 2.448 26 V HA 0.333 4.454 4.120 0.001 0.000 0.295 26 V C -0.086 175.938 176.094 -0.117 0.000 1.025 26 V CA -0.844 61.417 62.300 -0.064 0.000 0.859 26 V CB 2.093 33.903 31.823 -0.021 0.000 0.988 26 V HN 0.625 nan 8.190 nan 0.000 0.431 27 L N 5.552 126.678 121.223 -0.161 0.000 2.276 27 L HA 0.461 4.802 4.340 0.001 0.000 0.286 27 L C -1.129 175.700 176.870 -0.068 0.000 1.061 27 L CA -0.722 53.992 54.840 -0.210 0.000 0.807 27 L CB 1.352 43.206 42.059 -0.343 0.000 1.177 27 L HN 0.476 nan 8.230 nan 0.000 0.429 28 L N 5.440 126.645 121.223 -0.029 0.000 2.270 28 L HA 0.415 4.755 4.340 0.001 0.000 0.286 28 L C -0.252 176.704 176.870 0.144 0.000 1.059 28 L CA 0.155 55.070 54.840 0.124 0.000 0.839 28 L CB -0.049 42.075 42.059 0.109 0.000 1.221 28 L HN 0.608 nan 8.230 nan 0.000 0.431 29 D N 1.303 121.822 120.400 0.197 0.000 10.807 29 D HA -0.249 4.392 4.640 0.001 0.000 0.359 29 D C -0.348 175.955 176.300 0.005 0.000 3.110 29 D CA 0.325 54.431 54.000 0.176 0.000 2.589 29 D CB -0.240 40.775 40.800 0.357 0.000 1.188 29 D HN 0.656 nan 8.370 nan 0.000 0.949 30 C N 2.012 121.304 119.300 -0.013 0.000 2.945 30 C HA 0.520 4.981 4.460 0.001 0.000 0.216 30 C C 0.730 175.680 174.990 -0.068 0.000 1.319 30 C CA 0.389 59.370 59.018 -0.062 0.000 1.036 30 C CB -0.721 26.990 27.740 -0.048 0.000 1.871 30 C HN 0.685 nan 8.230 nan 0.000 0.660 31 G N 1.892 110.602 108.800 -0.149 0.000 2.616 31 G HA2 0.569 4.530 3.960 0.001 0.000 0.268 31 G HA3 0.569 4.530 3.960 0.001 0.000 0.268 31 G C -0.219 174.532 174.900 -0.249 0.000 1.213 31 G CA -0.323 44.671 45.100 -0.176 0.000 0.926 31 G HN 0.804 nan 8.290 nan 0.000 0.523 32 M N -0.812 118.673 119.600 -0.192 0.000 2.578 32 M HA 0.698 5.179 4.480 0.001 0.000 0.321 32 M C -1.281 174.851 176.300 -0.280 0.000 1.182 32 M CA -0.731 54.438 55.300 -0.220 0.000 0.965 32 M CB 1.761 34.395 32.600 0.058 0.000 1.694 32 M HN 0.212 nan 8.290 nan 0.000 0.461 33 F N 1.653 121.569 119.950 -0.056 0.000 2.418 33 F HA 0.442 4.970 4.527 0.001 0.000 0.341 33 F C 0.555 176.345 175.800 -0.016 0.000 1.120 33 F CA 0.330 58.303 58.000 -0.044 0.000 1.232 33 F CB 0.746 39.708 39.000 -0.063 0.000 1.175 33 F HN 0.689 nan 8.300 nan 0.000 0.569 34 Q N -0.247 119.657 119.800 0.174 0.000 2.854 34 Q HA 0.561 4.902 4.340 0.001 0.000 0.331 34 Q C 0.580 176.640 176.000 0.099 0.000 0.859 34 Q CA -0.422 55.454 55.803 0.121 0.000 0.787 34 Q CB 1.992 30.785 28.738 0.091 0.000 1.410 34 Q HN 0.768 nan 8.270 nan 0.000 0.510 35 G N 1.027 109.878 108.800 0.084 0.000 4.610 35 G HA2 -0.358 3.602 3.960 0.001 0.000 0.323 35 G HA3 -0.358 3.602 3.960 0.001 0.000 0.323 35 G C 0.182 175.113 174.900 0.053 0.000 1.377 35 G CA 0.826 45.966 45.100 0.067 0.000 1.023 35 G HN 0.415 nan 8.290 nan 0.000 0.755 36 K N 0.602 121.027 120.400 0.041 0.000 2.826 36 K HA 0.358 4.678 4.320 0.001 0.000 0.206 36 K C 0.081 176.679 176.600 -0.004 0.000 1.116 36 K CA -0.059 56.239 56.287 0.018 0.000 1.045 36 K CB 0.977 33.481 32.500 0.006 0.000 0.758 36 K HN 0.321 nan 8.250 nan 0.000 0.465 37 E N 0.255 120.462 120.200 0.012 0.000 2.712 37 E HA -0.008 4.343 4.350 0.001 0.000 0.221 37 E C 0.636 177.230 176.600 -0.010 0.000 0.943 37 E CA 0.108 56.477 56.400 -0.051 0.000 1.259 37 E CB 0.653 30.271 29.700 -0.136 0.000 1.167 37 E HN 0.158 nan 8.360 nan 0.000 0.569 38 E N 1.654 121.893 120.200 0.064 0.000 2.446 38 E HA -0.359 3.992 4.350 0.001 0.000 0.248 38 E C 1.862 178.514 176.600 0.086 0.000 1.081 38 E CA 2.176 58.635 56.400 0.098 0.000 1.143 38 E CB -0.709 29.057 29.700 0.111 0.000 1.012 38 E HN 0.284 nan 8.360 nan 0.000 0.487 39 A N 1.229 124.104 122.820 0.092 0.000 1.958 39 A HA -0.265 4.056 4.320 0.001 0.000 0.221 39 A C 2.192 179.842 177.584 0.110 0.000 1.178 39 A CA 2.085 54.221 52.037 0.165 0.000 0.642 39 A CB -0.684 18.340 19.000 0.040 0.000 0.816 39 A HN 0.220 nan 8.150 nan 0.000 0.453 40 R N -0.436 120.022 120.500 -0.071 0.000 2.200 40 R HA -0.129 4.212 4.340 0.001 0.000 0.234 40 R C 1.454 177.690 176.300 -0.106 0.000 1.127 40 R CA 1.327 57.323 56.100 -0.174 0.000 0.989 40 R CB -0.503 29.474 30.300 -0.537 0.000 0.869 40 R HN 0.744 nan 8.270 nan 0.000 0.459 41 N N -0.513 118.068 118.700 -0.197 0.000 2.588 41 N HA -0.148 4.593 4.740 0.001 0.000 0.190 41 N C 1.032 176.052 175.510 -0.817 0.000 1.094 41 N CA 0.457 53.080 53.050 -0.711 0.000 0.921 41 N CB 0.046 37.683 38.487 -1.416 0.000 0.959 41 N HN 0.373 nan 8.380 nan 0.000 0.448 42 H N -0.087 118.830 119.070 -0.256 0.000 2.476 42 H HA 0.235 4.792 4.556 0.001 0.000 0.292 42 H C 1.250 176.487 175.328 -0.153 0.000 1.019 42 H CA 0.173 56.149 56.048 -0.120 0.000 1.330 42 H CB 0.034 29.771 29.762 -0.043 0.000 1.451 42 H HN 0.139 nan 8.280 nan 0.000 0.535 43 A N 3.247 126.034 122.820 -0.055 0.000 2.407 43 A HA 0.152 4.473 4.320 0.001 0.000 0.257 43 A C -1.746 175.709 177.584 -0.215 0.000 1.131 43 A CA -0.638 51.331 52.037 -0.114 0.000 0.803 43 A CB -0.575 18.349 19.000 -0.126 0.000 1.083 43 A HN 0.106 nan 8.150 nan 0.000 0.512 44 P HA 0.304 nan 4.420 nan 0.000 0.279 44 P C 0.059 177.206 177.300 -0.254 0.000 1.252 44 P CA -0.350 62.574 63.100 -0.293 0.000 0.811 44 P CB 0.540 32.142 31.700 -0.164 0.000 1.035 45 F N 0.885 120.672 119.950 -0.272 0.000 2.000 45 F HA 0.083 4.611 4.527 0.001 0.000 0.295 45 F C 2.260 177.860 175.800 -0.333 0.000 1.159 45 F CA 2.648 60.379 58.000 -0.448 0.000 1.171 45 F CB -1.324 36.919 39.000 -1.262 0.000 0.971 45 F HN 0.601 nan 8.300 nan 0.000 0.479 46 G N -1.743 106.864 108.800 -0.322 0.000 2.870 46 G HA2 0.003 3.963 3.960 0.001 0.000 0.216 46 G HA3 0.003 3.963 3.960 0.001 0.000 0.216 46 G C -0.317 174.422 174.900 -0.269 0.000 0.973 46 G CA -0.144 44.854 45.100 -0.170 0.000 0.807 46 G HN 0.417 nan 8.290 nan 0.000 0.573 47 F N -0.334 119.403 119.950 -0.355 0.000 2.645 47 F HA 0.757 5.285 4.527 0.001 0.000 0.310 47 F C -0.943 174.794 175.800 -0.104 0.000 1.102 47 F CA -1.956 55.886 58.000 -0.264 0.000 0.952 47 F CB 0.966 39.709 39.000 -0.429 0.000 1.326 47 F HN -0.049 nan 8.300 nan 0.000 0.456 48 D N 3.633 124.095 120.400 0.104 0.000 2.352 48 D HA 0.311 4.951 4.640 0.001 0.000 0.245 48 D C -1.492 174.876 176.300 0.113 0.000 1.224 48 D CA -2.294 51.742 54.000 0.060 0.000 0.879 48 D CB 1.075 41.915 40.800 0.066 0.000 1.057 48 D HN 0.302 nan 8.370 nan 0.000 0.491 49 P HA -0.151 nan 4.420 nan 0.000 0.234 49 P C 0.451 177.820 177.300 0.114 0.000 1.162 49 P CA 0.849 63.975 63.100 0.043 0.000 0.759 49 P CB 0.277 31.995 31.700 0.032 0.000 0.813 50 K N -0.370 120.094 120.400 0.107 0.000 2.323 50 K HA 0.037 4.358 4.320 0.001 0.000 0.197 50 K C 1.677 178.339 176.600 0.102 0.000 1.043 50 K CA 0.416 56.765 56.287 0.103 0.000 0.997 50 K CB 0.221 32.757 32.500 0.060 0.000 0.807 50 K HN 0.073 nan 8.250 nan 0.000 0.497 51 E N 0.854 121.110 120.200 0.093 0.000 2.442 51 E HA 0.000 4.351 4.350 0.001 0.000 0.195 51 E C 0.244 176.886 176.600 0.070 0.000 1.030 51 E CA 0.213 56.657 56.400 0.073 0.000 0.869 51 E CB 0.194 29.932 29.700 0.064 0.000 0.857 51 E HN -0.036 nan 8.360 nan 0.000 0.505 52 V N 3.428 123.387 119.914 0.075 0.000 2.540 52 V HA -0.076 4.044 4.120 0.001 0.000 0.297 52 V C 1.265 177.444 176.094 0.141 0.000 1.024 52 V CA 0.526 62.829 62.300 0.006 0.000 1.105 52 V CB 0.730 32.420 31.823 -0.222 0.000 0.938 52 V HN 0.079 nan 8.190 nan 0.000 0.482 53 D N 3.107 123.558 120.400 0.087 0.000 2.289 53 D HA 0.303 4.944 4.640 0.001 0.000 0.207 53 D C 0.574 176.993 176.300 0.198 0.000 0.966 53 D CA 1.244 55.320 54.000 0.128 0.000 0.868 53 D CB 0.922 41.765 40.800 0.072 0.000 0.943 53 D HN 0.719 nan 8.370 nan 0.000 0.514 54 A N -0.323 122.596 122.820 0.165 0.000 2.567 54 A HA 0.484 4.805 4.320 0.001 0.000 0.291 54 A C -1.662 175.969 177.584 0.079 0.000 1.048 54 A CA -0.581 51.599 52.037 0.239 0.000 0.661 54 A CB 1.154 20.341 19.000 0.311 0.000 1.288 54 A HN -0.113 nan 8.150 nan 0.000 0.424 55 V N 0.649 120.651 119.914 0.147 0.000 2.656 55 V HA 0.681 4.802 4.120 0.001 0.000 0.307 55 V C -1.174 175.051 176.094 0.218 0.000 1.051 55 V CA -0.473 61.861 62.300 0.057 0.000 0.893 55 V CB 1.596 33.386 31.823 -0.056 0.000 0.999 55 V HN 0.757 nan 8.190 nan 0.000 0.426 56 L N 5.067 126.410 121.223 0.200 0.000 2.356 56 L HA 0.623 4.964 4.340 0.001 0.000 0.277 56 L C -0.963 176.096 176.870 0.315 0.000 0.996 56 L CA -0.250 54.778 54.840 0.313 0.000 0.822 56 L CB 1.743 43.963 42.059 0.268 0.000 1.256 56 L HN 0.388 nan 8.230 nan 0.000 0.413 57 L N 2.633 124.050 121.223 0.324 0.000 2.313 57 L HA 0.446 4.787 4.340 0.001 0.000 0.283 57 L C 1.368 178.277 176.870 0.065 0.000 1.013 57 L CA -0.022 54.930 54.840 0.187 0.000 0.816 57 L CB 1.457 43.579 42.059 0.104 0.000 1.236 57 L HN 0.809 nan 8.230 nan 0.000 0.419 58 T N -0.953 113.641 114.554 0.066 0.000 2.896 58 T HA 0.056 4.407 4.350 0.001 0.000 0.263 58 T C 0.523 175.178 174.700 -0.075 0.000 1.050 58 T CA 1.040 63.090 62.100 -0.083 0.000 1.140 58 T CB -0.160 68.710 68.868 0.004 0.000 0.877 58 T HN 0.661 nan 8.240 nan 0.000 0.457 59 H N -2.111 116.813 119.070 -0.243 0.000 2.987 59 H HA 0.638 5.195 4.556 0.001 0.000 0.316 59 H C 0.283 175.529 175.328 -0.136 0.000 1.380 59 H CA -0.616 55.283 56.048 -0.248 0.000 1.160 59 H CB 1.088 30.674 29.762 -0.294 0.000 1.865 59 H HN 0.050 nan 8.280 nan 0.000 0.521 60 A N 0.189 122.931 122.820 -0.130 0.000 2.235 60 A HA 0.006 4.327 4.320 0.001 0.000 0.208 60 A C 0.432 178.005 177.584 -0.018 0.000 1.172 60 A CA 0.037 52.015 52.037 -0.099 0.000 0.786 60 A CB -1.328 17.622 19.000 -0.083 0.000 0.804 60 A HN 0.657 nan 8.150 nan 0.000 0.479 61 H N -0.849 118.151 119.070 -0.117 0.000 2.928 61 H HA 0.058 4.615 4.556 0.001 0.000 0.338 61 H C 1.241 176.571 175.328 0.003 0.000 1.047 61 H CA -0.720 55.321 56.048 -0.012 0.000 1.435 61 H CB 0.776 30.597 29.762 0.099 0.000 1.428 61 H HN 0.176 nan 8.280 nan 0.000 0.590 62 L N 2.894 124.218 121.223 0.167 0.000 2.137 62 L HA -0.223 4.118 4.340 0.001 0.000 0.213 62 L C 1.736 178.652 176.870 0.077 0.000 1.085 62 L CA 1.775 56.678 54.840 0.106 0.000 0.760 62 L CB -0.670 41.450 42.059 0.102 0.000 0.893 62 L HN 0.791 nan 8.230 nan 0.000 0.434 63 D N -3.428 117.022 120.400 0.083 0.000 2.352 63 D HA -0.102 4.538 4.640 0.001 0.000 0.236 63 D C 1.059 177.282 176.300 -0.129 0.000 1.148 63 D CA 0.276 54.271 54.000 -0.008 0.000 0.844 63 D CB -0.148 40.653 40.800 0.000 0.000 0.933 63 D HN 0.508 nan 8.370 nan 0.000 0.507 64 H N -1.033 118.003 119.070 -0.056 0.000 3.794 64 H HA 0.156 4.713 4.556 0.001 0.000 0.258 64 H C 1.202 176.486 175.328 -0.073 0.000 1.120 64 H CA 0.163 56.159 56.048 -0.086 0.000 1.166 64 H CB 1.602 31.202 29.762 -0.270 0.000 1.517 64 H HN 0.042 nan 8.280 nan 0.000 0.615 65 V N -0.602 119.336 119.914 0.041 0.000 3.371 65 V HA 0.103 4.224 4.120 0.001 0.000 0.246 65 V C 2.486 178.578 176.094 -0.003 0.000 1.303 65 V CA 1.052 63.362 62.300 0.016 0.000 1.156 65 V CB 0.428 32.256 31.823 0.008 0.000 0.929 65 V HN 0.410 nan 8.190 nan 0.000 0.459 66 G N 1.484 110.297 108.800 0.021 0.000 2.656 66 G HA2 -0.325 3.636 3.960 0.001 0.000 0.223 66 G HA3 -0.325 3.636 3.960 0.001 0.000 0.223 66 G C 1.511 176.449 174.900 0.064 0.000 1.130 66 G CA 1.375 46.513 45.100 0.064 0.000 0.758 66 G HN 0.477 nan 8.290 nan 0.000 0.608 67 R N -0.424 120.118 120.500 0.069 0.000 2.317 67 R HA 0.249 4.590 4.340 0.001 0.000 0.208 67 R C 2.182 178.536 176.300 0.090 0.000 0.914 67 R CA -0.045 56.148 56.100 0.154 0.000 1.060 67 R CB -0.160 30.246 30.300 0.176 0.000 1.015 67 R HN 0.396 nan 8.270 nan 0.000 0.498 68 L N 3.234 124.460 121.223 0.005 0.000 1.990 68 L HA -0.124 4.217 4.340 0.001 0.000 0.213 68 L C -0.899 176.048 176.870 0.127 0.000 1.072 68 L CA 2.208 57.089 54.840 0.069 0.000 0.755 68 L CB -1.062 41.031 42.059 0.057 0.000 0.889 68 L HN 0.019 nan 8.230 nan 0.000 0.432 69 P HA -0.272 nan 4.420 nan 0.000 0.216 69 P C 1.391 178.744 177.300 0.087 0.000 1.150 69 P CA 1.972 64.990 63.100 -0.138 0.000 0.837 69 P CB -0.231 31.137 31.700 -0.553 0.000 0.786 70 K N -0.525 119.917 120.400 0.069 0.000 2.280 70 K HA -0.134 4.187 4.320 0.001 0.000 0.202 70 K C 2.085 178.931 176.600 0.411 0.000 1.047 70 K CA 0.607 57.072 56.287 0.296 0.000 0.942 70 K CB -0.550 32.184 32.500 0.390 0.000 0.739 70 K HN -0.011 nan 8.250 nan 0.000 0.457 71 L N 0.163 121.645 121.223 0.433 0.000 2.044 71 L HA -0.001 4.339 4.340 0.001 0.000 0.205 71 L C 1.661 178.697 176.870 0.278 0.000 1.075 71 L CA 1.533 56.569 54.840 0.327 0.000 0.747 71 L CB -0.346 41.720 42.059 0.011 0.000 0.903 71 L HN 0.113 nan 8.230 nan 0.000 0.435 72 F N -0.434 119.619 119.950 0.172 0.000 2.293 72 F HA -0.069 4.459 4.527 0.001 0.000 0.300 72 F C 2.639 178.499 175.800 0.099 0.000 1.086 72 F CA 1.128 59.193 58.000 0.108 0.000 1.375 72 F CB -0.636 38.373 39.000 0.014 0.000 1.045 72 F HN 0.045 nan 8.300 nan 0.000 0.516 73 R N 0.901 121.596 120.500 0.326 0.000 2.237 73 R HA -0.088 4.253 4.340 0.001 0.000 0.219 73 R C 0.706 177.111 176.300 0.174 0.000 1.080 73 R CA 1.194 57.428 56.100 0.225 0.000 0.995 73 R CB -0.144 30.293 30.300 0.229 0.000 0.875 73 R HN 0.314 nan 8.270 nan 0.000 0.462 74 E N -1.505 118.810 120.200 0.190 0.000 2.569 74 E HA 0.178 4.529 4.350 0.001 0.000 0.205 74 E C 0.377 177.050 176.600 0.121 0.000 1.006 74 E CA 0.291 56.775 56.400 0.141 0.000 0.985 74 E CB 1.455 31.247 29.700 0.155 0.000 1.060 74 E HN 0.550 nan 8.360 nan 0.000 0.460 75 G N 1.392 110.257 108.800 0.109 0.000 2.612 75 G HA2 -0.290 3.671 3.960 0.001 0.000 0.200 75 G HA3 -0.290 3.671 3.960 0.001 0.000 0.200 75 G C -0.023 174.888 174.900 0.018 0.000 1.053 75 G CA -0.481 44.659 45.100 0.066 0.000 0.707 75 G HN 0.385 nan 8.290 nan 0.000 0.497 76 Y N 2.895 123.104 120.300 -0.152 0.000 2.895 76 Y HA 0.359 4.909 4.550 0.001 0.000 0.334 76 Y C 0.951 176.556 175.900 -0.491 0.000 1.261 76 Y CA 0.652 58.534 58.100 -0.362 0.000 1.560 76 Y CB 0.459 38.574 38.460 -0.575 0.000 1.253 76 Y HN 0.178 nan 8.280 nan 0.000 0.582 77 R N 4.841 124.690 120.500 -1.086 0.000 2.579 77 R HA 0.240 4.580 4.340 0.001 0.000 0.386 77 R C 0.002 175.816 176.300 -0.811 0.000 1.065 77 R CA 0.157 55.776 56.100 -0.803 0.000 1.143 77 R CB 0.543 30.695 30.300 -0.247 0.000 1.357 77 R HN 0.859 nan 8.270 nan 0.000 0.644 78 G N 1.003 108.870 108.800 -1.556 0.000 2.971 78 G HA2 0.607 4.568 3.960 0.001 0.000 0.235 78 G HA3 0.607 4.568 3.960 0.001 0.000 0.235 78 G C -2.647 172.150 174.900 -0.171 0.000 1.351 78 G CA -1.106 43.590 45.100 -0.672 0.000 1.039 78 G HN -0.115 nan 8.290 nan 0.000 0.563 79 P HA 0.445 nan 4.420 nan 0.000 0.278 79 P C -1.039 176.284 177.300 0.039 0.000 1.258 79 P CA -0.413 62.683 63.100 -0.006 0.000 0.811 79 P CB 2.037 33.621 31.700 -0.194 0.000 1.063 80 V N 2.212 122.053 119.914 -0.121 0.000 2.462 80 V HA 0.241 4.362 4.120 0.001 0.000 0.288 80 V C -0.787 175.218 176.094 -0.147 0.000 1.020 80 V CA -0.505 61.807 62.300 0.020 0.000 0.857 80 V CB 0.636 32.587 31.823 0.213 0.000 1.013 80 V HN 0.383 nan 8.190 nan 0.000 0.431 81 Y N 3.008 123.397 120.300 0.148 0.000 2.313 81 Y HA 0.790 5.341 4.550 0.001 0.000 0.332 81 Y C 0.547 176.593 175.900 0.243 0.000 1.071 81 Y CA -0.173 58.010 58.100 0.139 0.000 1.169 81 Y CB 1.738 40.225 38.460 0.045 0.000 1.192 81 Y HN 0.784 nan 8.280 nan 0.000 0.487 82 A N 1.475 124.504 122.820 0.348 0.000 2.610 82 A HA 0.591 4.912 4.320 0.001 0.000 0.291 82 A C -0.583 177.078 177.584 0.129 0.000 1.086 82 A CA -0.882 51.298 52.037 0.238 0.000 0.677 82 A CB 0.883 19.922 19.000 0.064 0.000 1.278 82 A HN 0.507 nan 8.150 nan 0.000 0.414 83 T N -0.076 114.417 114.554 -0.101 0.000 2.855 83 T HA 0.174 4.524 4.350 0.001 0.000 0.314 83 T C 1.665 176.282 174.700 -0.138 0.000 1.077 83 T CA 0.473 62.468 62.100 -0.176 0.000 1.095 83 T CB 0.470 69.085 68.868 -0.421 0.000 0.987 83 T HN 0.738 nan 8.240 nan 0.000 0.546 84 R N 2.515 122.984 120.500 -0.053 0.000 2.081 84 R HA 0.010 4.351 4.340 0.001 0.000 0.235 84 R C 2.352 178.507 176.300 -0.240 0.000 1.131 84 R CA 2.145 58.212 56.100 -0.055 0.000 0.960 84 R CB -1.093 29.256 30.300 0.080 0.000 0.856 84 R HN 0.671 nan 8.270 nan 0.000 0.436 85 A N -0.821 121.612 122.820 -0.645 0.000 1.940 85 A HA -0.151 4.170 4.320 0.001 0.000 0.219 85 A C 2.271 179.573 177.584 -0.470 0.000 1.176 85 A CA 2.118 53.659 52.037 -0.827 0.000 0.631 85 A CB -1.093 16.875 19.000 -1.719 0.000 0.814 85 A HN 0.472 nan 8.150 nan 0.000 0.446 86 T N -0.500 113.810 114.554 -0.407 0.000 2.777 86 T HA -0.100 4.251 4.350 0.001 0.000 0.266 86 T C 1.891 176.496 174.700 -0.158 0.000 1.040 86 T CA 1.516 63.464 62.100 -0.253 0.000 1.141 86 T CB -0.355 68.376 68.868 -0.229 0.000 0.868 86 T HN 0.162 nan 8.240 nan 0.000 0.444 87 V N 1.612 121.446 119.914 -0.134 0.000 2.332 87 V HA -0.135 3.985 4.120 0.001 0.000 0.248 87 V C 2.461 178.510 176.094 -0.075 0.000 1.055 87 V CA 1.535 63.788 62.300 -0.079 0.000 1.038 87 V CB -0.615 31.174 31.823 -0.056 0.000 0.651 87 V HN 0.458 nan 8.190 nan 0.000 0.450 88 L N -1.085 120.080 121.223 -0.096 0.000 2.141 88 L HA -0.144 4.196 4.340 0.001 0.000 0.209 88 L C 2.342 179.179 176.870 -0.055 0.000 1.094 88 L CA 1.311 56.109 54.840 -0.069 0.000 0.763 88 L CB -0.399 41.616 42.059 -0.074 0.000 0.908 88 L HN 0.316 nan 8.230 nan 0.000 0.437 89 L N -1.110 120.067 121.223 -0.078 0.000 2.095 89 L HA -0.183 4.158 4.340 0.001 0.000 0.204 89 L C 2.626 179.480 176.870 -0.027 0.000 1.080 89 L CA 0.927 55.740 54.840 -0.045 0.000 0.759 89 L CB -0.283 41.735 42.059 -0.068 0.000 0.914 89 L HN 0.285 nan 8.230 nan 0.000 0.439 90 M N -0.137 119.438 119.600 -0.042 0.000 2.143 90 M HA -0.306 4.174 4.480 0.001 0.000 0.258 90 M C 2.210 178.504 176.300 -0.011 0.000 1.071 90 M CA 1.912 57.198 55.300 -0.024 0.000 1.088 90 M CB -0.146 32.433 32.600 -0.035 0.000 1.360 90 M HN 0.265 nan 8.290 nan 0.000 0.404 91 E N 0.446 120.636 120.200 -0.016 0.000 2.047 91 E HA -0.194 4.157 4.350 0.001 0.000 0.191 91 E C 1.870 178.474 176.600 0.006 0.000 0.987 91 E CA 1.484 57.879 56.400 -0.008 0.000 0.799 91 E CB -0.180 29.512 29.700 -0.014 0.000 0.752 91 E HN 0.642 nan 8.360 nan 0.000 0.449 92 I N 0.749 121.323 120.570 0.007 0.000 2.076 92 I HA -0.297 3.874 4.170 0.001 0.000 0.237 92 I C 2.561 178.697 176.117 0.031 0.000 1.059 92 I CA 1.033 62.343 61.300 0.016 0.000 1.317 92 I CB -0.403 37.605 38.000 0.014 0.000 1.037 92 I HN 0.056 nan 8.210 nan 0.000 0.398 93 V N 0.703 120.640 119.914 0.039 0.000 2.250 93 V HA -0.315 3.805 4.120 0.001 0.000 0.250 93 V C 2.407 178.542 176.094 0.068 0.000 1.060 93 V CA 1.891 64.228 62.300 0.062 0.000 1.030 93 V CB -0.636 31.228 31.823 0.070 0.000 0.643 93 V HN 0.347 nan 8.190 nan 0.000 0.445 94 L N -0.519 120.735 121.223 0.053 0.000 2.201 94 L HA -0.097 4.244 4.340 0.001 0.000 0.212 94 L C 2.318 179.247 176.870 0.098 0.000 1.105 94 L CA 1.743 56.624 54.840 0.068 0.000 0.775 94 L CB -0.595 41.478 42.059 0.023 0.000 0.913 94 L HN 0.380 nan 8.230 nan 0.000 0.440 95 E N -1.157 119.080 120.200 0.061 0.000 2.051 95 E HA -0.210 4.140 4.350 0.001 0.000 0.189 95 E C 1.784 178.409 176.600 0.042 0.000 0.979 95 E CA 0.976 57.406 56.400 0.050 0.000 0.803 95 E CB -0.156 29.560 29.700 0.027 0.000 0.761 95 E HN 0.473 nan 8.360 nan 0.000 0.451 96 D N 0.812 121.237 120.400 0.043 0.000 2.149 96 D HA -0.198 4.443 4.640 0.001 0.000 0.198 96 D C 1.877 178.202 176.300 0.043 0.000 0.990 96 D CA 1.371 55.394 54.000 0.038 0.000 0.839 96 D CB 0.102 40.929 40.800 0.044 0.000 0.948 96 D HN 0.132 nan 8.370 nan 0.000 0.460 97 A N 1.328 124.191 122.820 0.072 0.000 1.902 97 A HA -0.126 4.195 4.320 0.001 0.000 0.217 97 A C 2.593 180.176 177.584 -0.002 0.000 1.181 97 A CA 0.958 53.043 52.037 0.081 0.000 0.623 97 A CB -0.944 18.158 19.000 0.170 0.000 0.818 97 A HN 0.409 nan 8.150 nan 0.000 0.443 98 L N -0.606 120.607 121.223 -0.017 0.000 2.042 98 L HA -0.209 4.132 4.340 0.001 0.000 0.210 98 L C 2.648 179.446 176.870 -0.120 0.000 1.076 98 L CA 2.209 56.953 54.840 -0.159 0.000 0.749 98 L CB -0.267 41.742 42.059 -0.083 0.000 0.893 98 L HN 0.534 nan 8.230 nan 0.000 0.432 99 K N -0.531 119.839 120.400 -0.050 0.000 2.155 99 K HA -0.067 4.254 4.320 0.001 0.000 0.203 99 K C 0.716 177.301 176.600 -0.025 0.000 1.052 99 K CA 0.899 57.166 56.287 -0.033 0.000 0.948 99 K CB 0.316 32.811 32.500 -0.009 0.000 0.728 99 K HN 0.231 nan 8.250 nan 0.000 0.448 100 V N 2.174 122.080 119.914 -0.014 0.000 2.802 100 V HA 0.265 4.385 4.120 0.001 0.000 0.350 100 V C -0.560 175.536 176.094 0.003 0.000 1.233 100 V CA -0.305 61.998 62.300 0.005 0.000 1.337 100 V CB 0.143 31.984 31.823 0.030 0.000 1.497 100 V HN 0.242 nan 8.190 nan 0.000 0.616 101 M N 0.701 120.279 119.600 -0.037 0.000 2.067 101 M HA 0.425 4.905 4.480 0.001 0.000 0.286 101 M C 0.395 176.672 176.300 -0.038 0.000 0.922 101 M CA -0.328 54.947 55.300 -0.041 0.000 0.937 101 M CB 1.393 33.908 32.600 -0.141 0.000 1.550 101 M HN 0.193 nan 8.290 nan 0.000 0.433 102 D N 2.627 123.034 120.400 0.012 0.000 2.087 102 D HA -0.097 4.543 4.640 0.001 0.000 0.192 102 D C -0.235 176.080 176.300 0.025 0.000 0.993 102 D CA 1.550 55.561 54.000 0.017 0.000 0.828 102 D CB 0.295 41.116 40.800 0.036 0.000 0.968 102 D HN 0.598 nan 8.370 nan 0.000 0.448 103 E N 1.843 122.091 120.200 0.080 0.000 2.167 103 E HA 0.244 4.595 4.350 0.001 0.000 0.247 103 E C -2.167 174.563 176.600 0.217 0.000 0.961 103 E CA -1.689 54.794 56.400 0.139 0.000 0.797 103 E CB 1.490 31.291 29.700 0.170 0.000 1.182 103 E HN 0.282 nan 8.360 nan 0.000 0.437 104 P HA 0.111 nan 4.420 nan 0.000 0.278 104 P C 0.037 177.332 177.300 -0.008 0.000 1.238 104 P CA -0.355 62.624 63.100 -0.201 0.000 0.794 104 P CB 0.387 31.831 31.700 -0.428 0.000 0.955 105 F N 0.475 120.400 119.950 -0.042 0.000 2.695 105 F HA 0.412 4.940 4.527 0.001 0.000 0.303 105 F C 0.159 176.101 175.800 0.236 0.000 1.091 105 F CA -0.896 57.143 58.000 0.065 0.000 1.300 105 F CB -0.301 38.621 39.000 -0.129 0.000 1.071 105 F HN 0.059 nan 8.300 nan 0.000 0.578 106 F N -0.764 119.058 119.950 -0.213 0.000 2.678 106 F HA 0.895 5.423 4.527 0.001 0.000 0.308 106 F C -0.299 175.428 175.800 -0.122 0.000 1.118 106 F CA -2.284 55.645 58.000 -0.117 0.000 0.959 106 F CB 0.770 39.695 39.000 -0.124 0.000 1.305 106 F HN -0.005 nan 8.300 nan 0.000 0.443 107 G N 0.137 108.942 108.800 0.008 0.000 2.552 107 G HA2 0.619 4.580 3.960 0.001 0.000 0.324 107 G HA3 0.619 4.580 3.960 0.001 0.000 0.324 107 G C -2.332 172.577 174.900 0.015 0.000 1.217 107 G CA -2.067 42.987 45.100 -0.075 0.000 0.989 107 G HN 0.519 nan 8.290 nan 0.000 0.490 108 P HA -0.072 nan 4.420 nan 0.000 0.228 108 P C 0.675 177.994 177.300 0.032 0.000 1.151 108 P CA 1.006 64.113 63.100 0.012 0.000 0.770 108 P CB 0.366 32.056 31.700 -0.016 0.000 0.786 109 E N 0.193 120.415 120.200 0.037 0.000 2.152 109 E HA -0.120 4.231 4.350 0.001 0.000 0.192 109 E C 1.602 178.229 176.600 0.045 0.000 0.983 109 E CA 1.005 57.427 56.400 0.037 0.000 0.818 109 E CB -0.509 29.216 29.700 0.042 0.000 0.758 109 E HN 0.336 nan 8.360 nan 0.000 0.467 110 D N 0.495 120.944 120.400 0.081 0.000 2.149 110 D HA -0.047 4.594 4.640 0.001 0.000 0.206 110 D C 2.060 178.353 176.300 -0.013 0.000 0.967 110 D CA 0.665 54.705 54.000 0.066 0.000 0.848 110 D CB -0.187 40.714 40.800 0.169 0.000 0.998 110 D HN 0.025 nan 8.370 nan 0.000 0.474 111 V N 1.403 121.366 119.914 0.081 0.000 2.688 111 V HA -0.221 3.900 4.120 0.001 0.000 0.256 111 V C 2.303 178.372 176.094 -0.041 0.000 1.084 111 V CA 1.639 63.960 62.300 0.035 0.000 1.103 111 V CB -0.422 31.480 31.823 0.132 0.000 0.688 111 V HN 0.190 nan 8.190 nan 0.000 0.480 112 E N -0.475 119.705 120.200 -0.034 0.000 2.140 112 E HA -0.148 4.202 4.350 0.001 0.000 0.191 112 E C 2.138 178.687 176.600 -0.086 0.000 0.973 112 E CA 0.536 56.908 56.400 -0.046 0.000 0.829 112 E CB 0.161 29.851 29.700 -0.017 0.000 0.781 112 E HN 0.581 nan 8.360 nan 0.000 0.466 113 E N 1.013 121.148 120.200 -0.107 0.000 2.012 113 E HA -0.190 4.160 4.350 0.001 0.000 0.197 113 E C 1.752 178.108 176.600 -0.407 0.000 1.007 113 E CA 1.765 58.083 56.400 -0.138 0.000 0.816 113 E CB -0.432 29.210 29.700 -0.097 0.000 0.762 113 E HN 0.278 nan 8.360 nan 0.000 0.451 114 A N 0.927 123.209 122.820 -0.896 0.000 1.859 114 A HA -0.244 4.076 4.320 0.001 0.000 0.218 114 A C 2.438 179.782 177.584 -0.400 0.000 1.209 114 A CA 2.176 53.472 52.037 -1.234 0.000 0.639 114 A CB -1.316 17.246 19.000 -0.730 0.000 0.835 114 A HN 0.386 nan 8.150 nan 0.000 0.450 115 L N -0.665 120.423 121.223 -0.224 0.000 2.151 115 L HA -0.247 4.094 4.340 0.001 0.000 0.215 115 L C 2.646 179.469 176.870 -0.079 0.000 1.084 115 L CA 1.165 55.942 54.840 -0.106 0.000 0.764 115 L CB -0.845 41.166 42.059 -0.079 0.000 0.891 115 L HN 0.571 nan 8.230 nan 0.000 0.435 116 G N -1.752 106.995 108.800 -0.087 0.000 2.484 116 G HA2 -0.196 3.764 3.960 0.001 0.000 0.218 116 G HA3 -0.196 3.764 3.960 0.001 0.000 0.218 116 G C 1.001 175.788 174.900 -0.189 0.000 1.130 116 G CA 0.318 45.344 45.100 -0.125 0.000 0.784 116 G HN 0.459 nan 8.290 nan 0.000 0.543 117 H N -0.629 118.400 119.070 -0.069 0.000 2.539 117 H HA 0.338 4.894 4.556 0.001 0.000 0.269 117 H C 0.879 176.196 175.328 -0.017 0.000 0.980 117 H CA -0.441 55.619 56.048 0.020 0.000 1.152 117 H CB 0.185 30.094 29.762 0.246 0.000 1.407 117 H HN 0.145 nan 8.280 nan 0.000 0.564 118 L N 1.946 123.198 121.223 0.049 0.000 2.499 118 L HA 0.119 4.459 4.340 0.001 0.000 0.273 118 L C 0.204 177.040 176.870 -0.056 0.000 1.195 118 L CA 0.626 55.465 54.840 -0.002 0.000 0.882 118 L CB 0.420 42.474 42.059 -0.009 0.000 1.133 118 L HN 0.209 nan 8.230 nan 0.000 0.483 119 R N 4.394 124.833 120.500 -0.103 0.000 2.575 119 R HA 0.418 4.758 4.340 0.001 0.000 0.293 119 R C -2.541 173.775 176.300 0.028 0.000 0.983 119 R CA -1.855 54.194 56.100 -0.085 0.000 0.887 119 R CB 2.138 32.304 30.300 -0.224 0.000 1.184 119 R HN 0.364 nan 8.270 nan 0.000 0.445 120 P HA 0.112 nan 4.420 nan 0.000 0.271 120 P C -1.081 176.309 177.300 0.150 0.000 1.216 120 P CA -0.348 62.806 63.100 0.089 0.000 0.776 120 P CB 1.080 32.811 31.700 0.052 0.000 0.881 121 L N 2.544 123.867 121.223 0.168 0.000 2.528 121 L HA 0.390 4.731 4.340 0.001 0.000 0.267 121 L C -0.421 176.526 176.870 0.129 0.000 0.961 121 L CA -0.299 54.619 54.840 0.130 0.000 0.866 121 L CB 1.591 43.710 42.059 0.100 0.000 1.248 121 L HN 0.204 nan 8.230 nan 0.000 0.404 122 E N 2.538 122.744 120.200 0.009 0.000 2.267 122 E HA 0.309 4.660 4.350 0.001 0.000 0.258 122 E C -1.049 175.493 176.600 -0.097 0.000 1.074 122 E CA -0.581 55.763 56.400 -0.095 0.000 0.915 122 E CB 0.565 30.223 29.700 -0.069 0.000 1.186 122 E HN 0.406 nan 8.360 nan 0.000 0.439 123 Y N -0.064 120.254 120.300 0.030 0.000 2.610 123 Y HA 0.223 4.774 4.550 0.001 0.000 0.332 123 Y C 1.747 177.582 175.900 -0.108 0.000 1.201 123 Y CA 1.316 59.387 58.100 -0.050 0.000 1.465 123 Y CB 0.086 38.492 38.460 -0.090 0.000 1.283 123 Y HN 0.769 nan 8.280 nan 0.000 0.563 124 G N 1.516 110.291 108.800 -0.041 0.000 2.184 124 G HA2 -0.297 3.663 3.960 0.001 0.000 0.264 124 G HA3 -0.297 3.663 3.960 0.001 0.000 0.264 124 G C 0.055 174.831 174.900 -0.206 0.000 0.975 124 G CA 0.092 45.118 45.100 -0.124 0.000 0.642 124 G HN 0.596 nan 8.290 nan 0.000 0.536 125 E N -0.618 119.444 120.200 -0.230 0.000 2.283 125 E HA 0.443 4.793 4.350 0.001 0.000 0.278 125 E C -0.550 175.837 176.600 -0.356 0.000 1.027 125 E CA -0.803 55.495 56.400 -0.169 0.000 0.843 125 E CB 0.576 30.218 29.700 -0.097 0.000 1.062 125 E HN 0.340 nan 8.360 nan 0.000 0.401 126 W N 3.833 125.075 121.300 -0.096 0.000 2.391 126 W HA 0.307 4.968 4.660 0.001 0.000 0.311 126 W C -0.489 175.934 176.519 -0.160 0.000 1.087 126 W CA -0.626 56.643 57.345 -0.126 0.000 1.209 126 W CB 0.601 30.010 29.460 -0.084 0.000 1.273 126 W HN 0.316 nan 8.180 nan 0.000 0.482 127 L N 4.575 125.764 121.223 -0.057 0.000 2.325 127 L HA 0.606 4.946 4.340 0.001 0.000 0.279 127 L C -0.353 176.479 176.870 -0.062 0.000 1.054 127 L CA -0.932 53.801 54.840 -0.179 0.000 0.804 127 L CB 0.808 42.579 42.059 -0.481 0.000 1.200 127 L HN 0.356 nan 8.230 nan 0.000 0.436 128 R N 5.851 126.314 120.500 -0.062 0.000 2.480 128 R HA 0.633 4.974 4.340 0.001 0.000 0.306 128 R C -1.639 174.644 176.300 -0.029 0.000 0.958 128 R CA -0.684 55.404 56.100 -0.022 0.000 0.861 128 R CB 1.469 31.768 30.300 -0.002 0.000 1.171 128 R HN 0.661 nan 8.270 nan 0.000 0.445 129 L N 2.606 123.818 121.223 -0.019 0.000 2.457 129 L HA 0.351 4.692 4.340 0.001 0.000 0.266 129 L C 0.852 177.723 176.870 0.002 0.000 0.979 129 L CA -0.424 54.413 54.840 -0.004 0.000 0.857 129 L CB 1.892 43.947 42.059 -0.007 0.000 1.213 129 L HN 0.972 nan 8.230 nan 0.000 0.418 130 G N 2.914 111.717 108.800 0.006 0.000 2.591 130 G HA2 -0.358 3.602 3.960 0.001 0.000 0.298 130 G HA3 -0.358 3.602 3.960 0.001 0.000 0.298 130 G C 0.622 175.520 174.900 -0.002 0.000 1.195 130 G CA 0.556 45.658 45.100 0.004 0.000 0.989 130 G HN 0.892 nan 8.290 nan 0.000 0.551 131 A N -0.804 122.015 122.820 -0.003 0.000 2.423 131 A HA 0.673 4.994 4.320 0.001 0.000 0.246 131 A C 0.602 178.183 177.584 -0.005 0.000 1.278 131 A CA 1.040 53.073 52.037 -0.008 0.000 0.903 131 A CB 0.043 19.038 19.000 -0.009 0.000 0.997 131 A HN 1.468 nan 8.150 nan 0.000 0.510 132 L N 0.374 121.598 121.223 0.002 0.000 2.343 132 L HA 0.671 5.012 4.340 0.001 0.000 0.275 132 L C -0.460 176.427 176.870 0.027 0.000 1.056 132 L CA -0.106 54.742 54.840 0.013 0.000 0.804 132 L CB 1.766 43.831 42.059 0.010 0.000 1.203 132 L HN 0.034 nan 8.230 nan 0.000 0.440 133 S N 5.195 120.937 115.700 0.071 0.000 2.532 133 S HA 0.804 5.275 4.470 0.001 0.000 0.299 133 S C -0.820 173.937 174.600 0.262 0.000 1.105 133 S CA -0.564 57.734 58.200 0.163 0.000 1.018 133 S CB 1.327 64.600 63.200 0.122 0.000 1.021 133 S HN 0.508 nan 8.310 nan 0.000 0.483 134 L N 1.856 123.191 121.223 0.186 0.000 2.354 134 L HA 1.002 5.343 4.340 0.001 0.000 0.264 134 L C -0.339 176.302 176.870 -0.382 0.000 1.008 134 L CA -0.756 54.055 54.840 -0.048 0.000 0.819 134 L CB 2.018 43.974 42.059 -0.172 0.000 1.339 134 L HN 0.801 nan 8.230 nan 0.000 0.420 135 A N 0.998 123.446 122.820 -0.620 0.000 2.594 135 A HA 0.770 5.091 4.320 0.001 0.000 0.296 135 A C -1.629 175.629 177.584 -0.543 0.000 1.061 135 A CA -0.455 51.046 52.037 -0.893 0.000 0.689 135 A CB 1.032 18.985 19.000 -1.745 0.000 1.280 135 A HN 0.335 nan 8.150 nan 0.000 0.406 136 F N 0.753 120.471 119.950 -0.386 0.000 2.371 136 F HA 0.686 5.214 4.527 0.001 0.000 0.329 136 F C 1.148 176.713 175.800 -0.391 0.000 1.107 136 F CA -0.210 57.601 58.000 -0.315 0.000 1.137 136 F CB 1.898 40.753 39.000 -0.241 0.000 1.214 136 F HN 0.779 nan 8.300 nan 0.000 0.536 137 G N 0.589 109.070 108.800 -0.531 0.000 2.563 137 G HA2 0.443 4.403 3.960 0.001 0.000 0.302 137 G HA3 0.443 4.403 3.960 0.001 0.000 0.302 137 G C -1.592 172.857 174.900 -0.752 0.000 1.301 137 G CA -0.782 43.708 45.100 -1.017 0.000 0.965 137 G HN 0.422 nan 8.290 nan 0.000 0.480 138 Q N 0.434 119.915 119.800 -0.532 0.000 2.244 138 Q HA 0.437 4.778 4.340 0.001 0.000 0.276 138 Q C 0.918 176.865 176.000 -0.089 0.000 1.122 138 Q CA 0.816 56.318 55.803 -0.501 0.000 0.920 138 Q CB 1.037 29.492 28.738 -0.472 0.000 1.186 138 Q HN 0.632 nan 8.270 nan 0.000 0.393 139 A N 3.680 126.446 122.820 -0.090 0.000 2.115 139 A HA 0.361 4.682 4.320 0.001 0.000 0.211 139 A C 1.428 178.942 177.584 -0.118 0.000 1.169 139 A CA 0.546 52.563 52.037 -0.034 0.000 0.787 139 A CB -0.467 18.458 19.000 -0.125 0.000 0.858 139 A HN 1.347 nan 8.150 nan 0.000 0.474 140 G N -1.111 107.615 108.800 -0.123 0.000 2.258 140 G HA2 -0.373 3.587 3.960 0.001 0.000 0.274 140 G HA3 -0.373 3.587 3.960 0.001 0.000 0.274 140 G C 0.579 175.422 174.900 -0.096 0.000 1.021 140 G CA 1.339 46.373 45.100 -0.109 0.000 0.798 140 G HN 0.811 nan 8.290 nan 0.000 0.507 141 H N -0.983 117.921 119.070 -0.276 0.000 2.506 141 H HA 0.639 5.196 4.556 0.001 0.000 0.289 141 H C 1.060 176.219 175.328 -0.282 0.000 1.009 141 H CA 1.054 56.904 56.048 -0.330 0.000 1.303 141 H CB 0.303 29.750 29.762 -0.525 0.000 1.453 141 H HN 0.371 nan 8.280 nan 0.000 0.526 142 L N 0.427 121.463 121.223 -0.311 0.000 2.469 142 L HA 0.395 4.736 4.340 0.001 0.000 0.256 142 L C -2.518 174.191 176.870 -0.268 0.000 1.006 142 L CA -2.478 52.167 54.840 -0.323 0.000 0.832 142 L CB 2.764 44.595 42.059 -0.380 0.000 1.421 142 L HN -0.020 nan 8.230 nan 0.000 0.410 143 P HA 0.071 nan 4.420 nan 0.000 0.260 143 P C 0.536 177.559 177.300 -0.462 0.000 1.185 143 P CA 1.066 63.882 63.100 -0.472 0.000 0.763 143 P CB 0.475 31.767 31.700 -0.681 0.000 0.776 144 G N 2.293 110.890 108.800 -0.338 0.000 2.176 144 G HA2 -0.249 3.712 3.960 0.001 0.000 0.253 144 G HA3 -0.249 3.712 3.960 0.001 0.000 0.253 144 G C 0.340 175.120 174.900 -0.200 0.000 0.979 144 G CA 0.198 45.085 45.100 -0.356 0.000 0.641 144 G HN 0.747 nan 8.290 nan 0.000 0.530 145 S N -0.142 115.472 115.700 -0.143 0.000 2.562 145 S HA 0.778 5.249 4.470 0.001 0.000 0.281 145 S C 0.255 174.783 174.600 -0.119 0.000 1.333 145 S CA 0.836 58.922 58.200 -0.190 0.000 1.052 145 S CB 2.036 65.074 63.200 -0.270 0.000 0.884 145 S HN 2.041 nan 8.310 nan 0.000 0.506 146 A N 2.212 124.882 122.820 -0.250 0.000 2.587 146 A HA 0.779 5.100 4.320 0.001 0.000 0.293 146 A C -0.614 176.869 177.584 -0.169 0.000 1.087 146 A CA -1.112 50.793 52.037 -0.220 0.000 0.692 146 A CB 0.875 19.579 19.000 -0.492 0.000 1.291 146 A HN 1.197 nan 8.150 nan 0.000 0.407 147 F N -0.165 119.759 119.950 -0.043 0.000 2.457 147 F HA 0.868 5.395 4.527 0.001 0.000 0.330 147 F C -0.485 175.400 175.800 0.141 0.000 1.069 147 F CA -1.422 56.547 58.000 -0.052 0.000 1.009 147 F CB 0.803 39.832 39.000 0.050 0.000 1.276 147 F HN 0.293 nan 8.300 nan 0.000 0.492 148 V N 1.987 122.193 119.914 0.485 0.000 2.555 148 V HA 0.556 4.677 4.120 0.001 0.000 0.302 148 V C -0.669 175.663 176.094 0.397 0.000 1.038 148 V CA -0.879 61.662 62.300 0.401 0.000 0.887 148 V CB 1.651 33.712 31.823 0.397 0.000 0.991 148 V HN 0.756 nan 8.190 nan 0.000 0.434 149 V N 3.616 123.661 119.914 0.218 0.000 2.417 149 V HA 0.827 4.947 4.120 0.001 0.000 0.291 149 V C 0.175 176.343 176.094 0.123 0.000 1.024 149 V CA -0.401 62.015 62.300 0.195 0.000 0.861 149 V CB 1.655 33.570 31.823 0.153 0.000 0.985 149 V HN 1.006 nan 8.190 nan 0.000 0.436 150 A N 4.537 127.449 122.820 0.153 0.000 2.335 150 A HA 0.772 5.093 4.320 0.001 0.000 0.304 150 A C -0.744 176.925 177.584 0.143 0.000 1.118 150 A CA -0.558 51.558 52.037 0.131 0.000 0.757 150 A CB 1.601 20.657 19.000 0.093 0.000 1.188 150 A HN 0.599 nan 8.150 nan 0.000 0.460 151 Q N 1.539 121.441 119.800 0.170 0.000 2.325 151 Q HA 0.660 5.001 4.340 0.001 0.000 0.270 151 Q C -0.602 175.434 176.000 0.059 0.000 1.020 151 Q CA -0.162 55.711 55.803 0.117 0.000 0.785 151 Q CB 1.915 30.733 28.738 0.133 0.000 1.259 151 Q HN 1.275 nan 8.270 nan 0.000 0.452 152 G N 1.820 110.639 108.800 0.031 0.000 2.616 152 G HA2 0.341 4.302 3.960 0.001 0.000 0.294 152 G HA3 0.341 4.302 3.960 0.001 0.000 0.294 152 G C -1.091 173.810 174.900 0.002 0.000 1.489 152 G CA -0.623 44.483 45.100 0.011 0.000 0.836 152 G HN 0.666 nan 8.290 nan 0.000 0.527 153 E N -0.787 119.409 120.200 -0.006 0.000 2.440 153 E HA -0.224 4.126 4.350 0.001 0.000 0.246 153 E C 1.309 177.904 176.600 -0.008 0.000 1.165 153 E CA 1.204 57.600 56.400 -0.007 0.000 0.726 153 E CB -1.337 28.360 29.700 -0.005 0.000 1.271 153 E HN 2.426 nan 8.360 nan 0.000 0.397 154 G N 0.089 108.882 108.800 -0.012 0.000 2.249 154 G HA2 -0.365 3.596 3.960 0.001 0.000 0.273 154 G HA3 -0.365 3.596 3.960 0.001 0.000 0.273 154 G C 0.088 174.984 174.900 -0.006 0.000 1.036 154 G CA 0.882 45.974 45.100 -0.012 0.000 0.824 154 G HN 0.256 nan 8.290 nan 0.000 0.504 155 R N -1.227 119.274 120.500 0.001 0.000 2.867 155 R HA 0.771 5.112 4.340 0.001 0.000 0.268 155 R C -0.964 175.349 176.300 0.022 0.000 1.014 155 R CA -0.502 55.602 56.100 0.007 0.000 0.946 155 R CB 1.849 32.152 30.300 0.005 0.000 1.208 155 R HN 0.168 nan 8.270 nan 0.000 0.477 156 T N 1.753 116.321 114.554 0.024 0.000 3.109 156 T HA 0.334 4.685 4.350 0.001 0.000 0.311 156 T C -1.184 173.541 174.700 0.042 0.000 1.011 156 T CA -0.618 61.509 62.100 0.044 0.000 1.026 156 T CB 1.352 70.247 68.868 0.046 0.000 1.047 156 T HN 0.367 nan 8.240 nan 0.000 0.448 157 L N 3.896 125.156 121.223 0.062 0.000 2.329 157 L HA 0.906 5.247 4.340 0.001 0.000 0.279 157 L C -1.349 175.589 176.870 0.113 0.000 1.014 157 L CA -0.589 54.291 54.840 0.067 0.000 0.814 157 L CB 1.649 43.742 42.059 0.057 0.000 1.257 157 L HN 0.471 nan 8.230 nan 0.000 0.424 158 V N 5.567 125.552 119.914 0.119 0.000 2.443 158 V HA 0.292 4.413 4.120 0.001 0.000 0.293 158 V C -1.088 175.164 176.094 0.263 0.000 1.021 158 V CA -0.455 61.952 62.300 0.178 0.000 0.848 158 V CB 1.278 33.130 31.823 0.049 0.000 0.998 158 V HN 0.736 nan 8.190 nan 0.000 0.424 159 Y N 4.510 124.921 120.300 0.186 0.000 2.404 159 Y HA 0.282 4.833 4.550 0.001 0.000 0.344 159 Y C 1.622 177.660 175.900 0.230 0.000 0.970 159 Y CA -0.054 58.138 58.100 0.153 0.000 1.180 159 Y CB 1.818 40.364 38.460 0.143 0.000 1.138 159 Y HN 0.791 nan 8.280 nan 0.000 0.510 160 S N 4.296 120.041 115.700 0.074 0.000 2.399 160 S HA 0.089 4.560 4.470 0.001 0.000 0.231 160 S C 1.295 175.608 174.600 -0.478 0.000 1.022 160 S CA 0.805 58.884 58.200 -0.203 0.000 0.983 160 S CB -0.834 62.170 63.200 -0.327 0.000 0.803 160 S HN 1.423 nan 8.310 nan 0.000 0.480 161 G N 1.495 109.755 108.800 -0.899 0.000 2.564 161 G HA2 -0.210 3.750 3.960 0.001 0.000 0.273 161 G HA3 -0.210 3.750 3.960 0.001 0.000 0.273 161 G C -1.120 173.526 174.900 -0.423 0.000 1.242 161 G CA 0.194 44.871 45.100 -0.705 0.000 0.951 161 G HN 0.538 nan 8.290 nan 0.000 0.564 162 D N 0.374 120.453 120.400 -0.536 0.000 2.193 162 D HA 0.572 5.213 4.640 0.001 0.000 0.244 162 D C -0.116 175.775 176.300 -0.681 0.000 1.064 162 D CA -0.338 53.249 54.000 -0.690 0.000 0.845 162 D CB 1.577 41.747 40.800 -1.050 0.000 1.148 162 D HN 0.269 nan 8.370 nan 0.000 0.464 163 L N 2.110 122.992 121.223 -0.568 0.000 2.264 163 L HA 0.413 4.753 4.340 0.001 0.000 0.289 163 L C 1.292 177.981 176.870 -0.300 0.000 1.044 163 L CA -0.359 54.195 54.840 -0.477 0.000 0.807 163 L CB 1.220 42.916 42.059 -0.605 0.000 1.192 163 L HN 0.391 nan 8.230 nan 0.000 0.425 164 G N 2.287 110.987 108.800 -0.167 0.000 2.631 164 G HA2 -0.009 3.952 3.960 0.001 0.000 0.271 164 G HA3 -0.009 3.952 3.960 0.001 0.000 0.271 164 G C -0.064 174.823 174.900 -0.022 0.000 1.302 164 G CA -0.501 44.587 45.100 -0.020 0.000 1.002 164 G HN 0.738 nan 8.290 nan 0.000 0.519 165 N N -0.652 118.057 118.700 0.014 0.000 2.527 165 N HA 0.111 4.852 4.740 0.001 0.000 0.236 165 N C 1.798 177.303 175.510 -0.008 0.000 0.999 165 N CA -0.593 52.479 53.050 0.037 0.000 0.935 165 N CB 0.498 39.008 38.487 0.037 0.000 1.132 165 N HN 0.597 nan 8.380 nan 0.000 0.511 166 R N 2.654 123.147 120.500 -0.011 0.000 2.170 166 R HA -0.156 4.184 4.340 0.001 0.000 0.242 166 R C 0.490 176.746 176.300 -0.073 0.000 1.145 166 R CA 1.057 57.137 56.100 -0.034 0.000 0.984 166 R CB -0.162 30.133 30.300 -0.007 0.000 0.869 166 R HN 0.546 nan 8.270 nan 0.000 0.455 167 E N 1.596 121.760 120.200 -0.061 0.000 2.153 167 E HA -0.051 4.300 4.350 0.001 0.000 0.194 167 E C 0.287 176.644 176.600 -0.406 0.000 0.988 167 E CA 0.880 57.213 56.400 -0.111 0.000 0.811 167 E CB -0.012 29.701 29.700 0.021 0.000 0.746 167 E HN 0.464 nan 8.360 nan 0.000 0.466 168 K N 0.879 121.022 120.400 -0.429 0.000 2.286 168 K HA -0.031 4.289 4.320 0.001 0.000 0.256 168 K C 0.539 176.810 176.600 -0.547 0.000 0.999 168 K CA 0.101 55.935 56.287 -0.755 0.000 0.908 168 K CB 0.420 32.803 32.500 -0.195 0.000 0.981 168 K HN -0.123 nan 8.250 nan 0.000 0.500 169 D N 0.072 120.189 120.400 -0.472 0.000 2.379 169 D HA -0.040 4.600 4.640 0.001 0.000 0.218 169 D C 1.754 177.964 176.300 -0.150 0.000 1.006 169 D CA 0.462 54.341 54.000 -0.201 0.000 0.893 169 D CB 0.070 40.860 40.800 -0.018 0.000 1.019 169 D HN 0.148 nan 8.370 nan 0.000 0.503 170 V N 1.276 121.094 119.914 -0.159 0.000 2.261 170 V HA -0.133 3.988 4.120 0.001 0.000 0.246 170 V C 1.048 177.190 176.094 0.080 0.000 1.047 170 V CA 1.070 63.281 62.300 -0.149 0.000 1.015 170 V CB -0.214 31.619 31.823 0.017 0.000 0.642 170 V HN 0.121 nan 8.190 nan 0.000 0.446 171 L N 0.436 121.695 121.223 0.060 0.000 2.431 171 L HA 0.453 4.794 4.340 0.001 0.000 0.260 171 L C -2.190 174.672 176.870 -0.012 0.000 1.098 171 L CA -2.238 52.629 54.840 0.044 0.000 0.800 171 L CB -0.105 41.944 42.059 -0.017 0.000 1.210 171 L HN 0.101 nan 8.230 nan 0.000 0.465 172 P HA 0.140 nan 4.420 nan 0.000 0.277 172 P C -0.845 176.416 177.300 -0.064 0.000 1.240 172 P CA -0.609 62.458 63.100 -0.054 0.000 0.798 172 P CB 0.864 32.513 31.700 -0.086 0.000 0.979 173 D N 1.972 122.343 120.400 -0.049 0.000 2.378 173 D HA 0.132 4.773 4.640 0.001 0.000 0.238 173 D C -1.969 174.319 176.300 -0.020 0.000 1.180 173 D CA -0.613 53.368 54.000 -0.031 0.000 0.895 173 D CB -0.765 40.029 40.800 -0.010 0.000 1.192 173 D HN 0.246 nan 8.370 nan 0.000 0.438 174 P HA 0.074 nan 4.420 nan 0.000 0.274 174 P C -0.506 176.901 177.300 0.179 0.000 1.231 174 P CA -0.296 62.847 63.100 0.072 0.000 0.790 174 P CB 0.669 32.382 31.700 0.022 0.000 0.951 175 S N 2.752 118.617 115.700 0.276 0.000 2.525 175 S HA 0.329 4.800 4.470 0.001 0.000 0.278 175 S C 0.027 174.882 174.600 0.425 0.000 1.234 175 S CA -0.695 57.668 58.200 0.271 0.000 1.058 175 S CB -0.290 63.025 63.200 0.192 0.000 0.983 175 S HN 0.240 nan 8.310 nan 0.000 0.495 176 L N 5.409 126.728 121.223 0.159 0.000 2.499 176 L HA 0.299 4.640 4.340 0.001 0.000 0.281 176 L C -1.580 175.136 176.870 -0.256 0.000 1.234 176 L CA -1.239 53.502 54.840 -0.165 0.000 0.839 176 L CB 0.142 42.099 42.059 -0.169 0.000 1.104 176 L HN 0.616 nan 8.230 nan 0.000 0.500 177 P HA 0.359 nan 4.420 nan 0.000 0.283 177 P C -2.695 174.403 177.300 -0.336 0.000 1.271 177 P CA -1.758 60.939 63.100 -0.671 0.000 0.841 177 P CB 0.725 31.595 31.700 -1.384 0.000 1.122 178 P HA 0.159 nan 4.420 nan 0.000 0.274 178 P C -0.292 176.938 177.300 -0.116 0.000 1.246 178 P CA -0.484 62.579 63.100 -0.061 0.000 0.795 178 P CB 0.469 32.202 31.700 0.053 0.000 1.006 179 L N 1.264 122.438 121.223 -0.082 0.000 2.513 179 L HA 0.376 4.716 4.340 0.001 0.000 0.272 179 L C -0.182 176.654 176.870 -0.055 0.000 1.187 179 L CA 0.248 55.038 54.840 -0.083 0.000 0.895 179 L CB -0.772 41.252 42.059 -0.057 0.000 1.147 179 L HN 0.567 nan 8.230 nan 0.000 0.483 180 A N 4.048 126.829 122.820 -0.065 0.000 2.384 180 A HA 0.494 4.815 4.320 0.001 0.000 0.312 180 A C 0.489 178.058 177.584 -0.025 0.000 1.113 180 A CA -0.534 51.483 52.037 -0.033 0.000 0.779 180 A CB 0.748 19.729 19.000 -0.032 0.000 1.307 180 A HN 0.784 nan 8.150 nan 0.000 0.436 181 D N -0.641 119.753 120.400 -0.010 0.000 2.194 181 D HA 0.062 4.703 4.640 0.001 0.000 0.204 181 D C -0.239 176.055 176.300 -0.011 0.000 0.964 181 D CA 1.460 55.454 54.000 -0.010 0.000 0.846 181 D CB 0.281 41.078 40.800 -0.005 0.000 0.962 181 D HN 0.271 nan 8.370 nan 0.000 0.490 182 L N 0.350 121.570 121.223 -0.005 0.000 2.493 182 L HA 0.306 4.646 4.340 0.001 0.000 0.265 182 L C -1.596 175.280 176.870 0.010 0.000 0.954 182 L CA -0.623 54.216 54.840 -0.003 0.000 0.844 182 L CB 2.527 44.583 42.059 -0.005 0.000 1.302 182 L HN -0.367 nan 8.230 nan 0.000 0.405 183 V N 5.677 125.599 119.914 0.015 0.000 2.349 183 V HA 0.383 4.504 4.120 0.001 0.000 0.284 183 V C -0.429 175.709 176.094 0.072 0.000 1.014 183 V CA -0.488 61.842 62.300 0.049 0.000 0.826 183 V CB 1.474 33.316 31.823 0.031 0.000 1.009 183 V HN 0.633 nan 8.190 nan 0.000 0.431 184 L N 5.964 127.245 121.223 0.097 0.000 2.334 184 L HA 0.714 5.055 4.340 0.001 0.000 0.286 184 L C 0.514 177.488 176.870 0.174 0.000 1.108 184 L CA 0.485 55.367 54.840 0.070 0.000 0.875 184 L CB 0.241 42.282 42.059 -0.029 0.000 1.246 184 L HN 0.725 nan 8.230 nan 0.000 0.439 185 A N 4.298 127.195 122.820 0.128 0.000 2.299 185 A HA 0.702 5.023 4.320 0.001 0.000 0.332 185 A C -0.404 177.230 177.584 0.083 0.000 1.131 185 A CA -0.669 51.438 52.037 0.117 0.000 0.844 185 A CB 0.702 19.783 19.000 0.134 0.000 1.251 185 A HN 0.747 nan 8.150 nan 0.000 0.486 186 E N -0.365 119.844 120.200 0.015 0.000 2.283 186 E HA 0.578 4.929 4.350 0.001 0.000 0.267 186 E C 0.415 177.030 176.600 0.025 0.000 1.045 186 E CA -0.260 56.153 56.400 0.022 0.000 0.884 186 E CB 1.270 30.882 29.700 -0.148 0.000 1.106 186 E HN 0.575 nan 8.360 nan 0.000 0.408 187 G N 1.000 109.839 108.800 0.066 0.000 3.651 187 G HA2 -0.015 3.945 3.960 0.001 0.000 0.267 187 G HA3 -0.015 3.945 3.960 0.001 0.000 0.267 187 G C 0.816 175.727 174.900 0.018 0.000 1.009 187 G CA 0.227 45.352 45.100 0.041 0.000 0.866 187 G HN 0.555 nan 8.290 nan 0.000 0.488 188 T N 0.595 115.163 114.554 0.022 0.000 2.731 188 T HA -0.303 4.048 4.350 0.001 0.000 0.259 188 T C 0.973 175.514 174.700 -0.266 0.000 1.054 188 T CA 1.812 63.834 62.100 -0.130 0.000 1.158 188 T CB -0.339 68.339 68.868 -0.317 0.000 0.847 188 T HN 0.407 nan 8.240 nan 0.000 0.470 189 Y N -0.059 120.176 120.300 -0.108 0.000 2.634 189 Y HA 0.508 5.059 4.550 0.001 0.000 0.292 189 Y C 1.595 177.442 175.900 -0.088 0.000 0.996 189 Y CA -0.881 57.154 58.100 -0.108 0.000 1.165 189 Y CB 0.221 38.611 38.460 -0.118 0.000 1.194 189 Y HN 0.174 nan 8.280 nan 0.000 0.585 190 G N -0.042 108.779 108.800 0.035 0.000 2.559 190 G HA2 -0.237 3.724 3.960 0.001 0.000 0.216 190 G HA3 -0.237 3.724 3.960 0.001 0.000 0.216 190 G C 1.194 176.106 174.900 0.020 0.000 1.126 190 G CA 1.149 46.264 45.100 0.026 0.000 0.778 190 G HN 0.489 nan 8.290 nan 0.000 0.543 191 D N -0.204 120.205 120.400 0.015 0.000 2.349 191 D HA 0.079 4.719 4.640 0.001 0.000 0.215 191 D C 1.025 177.347 176.300 0.036 0.000 1.016 191 D CA -0.115 53.897 54.000 0.020 0.000 0.870 191 D CB 0.054 40.861 40.800 0.013 0.000 0.917 191 D HN 0.591 nan 8.370 nan 0.000 0.524 192 R N -2.463 118.062 120.500 0.042 0.000 2.825 192 R HA 0.424 4.765 4.340 0.001 0.000 0.274 192 R C -3.279 173.003 176.300 -0.030 0.000 1.026 192 R CA -1.377 54.741 56.100 0.030 0.000 0.867 192 R CB 0.030 30.370 30.300 0.066 0.000 1.268 192 R HN -0.218 nan 8.270 nan 0.000 0.491 193 P HA 0.252 nan 4.420 nan 0.000 0.281 193 P C -0.883 176.334 177.300 -0.139 0.000 1.264 193 P CA -0.347 62.680 63.100 -0.121 0.000 0.824 193 P CB 0.722 32.400 31.700 -0.036 0.000 1.092 194 H N 0.494 119.550 119.070 -0.023 0.000 2.505 194 H HA 0.288 4.844 4.556 0.001 0.000 0.355 194 H C 0.956 176.252 175.328 -0.054 0.000 1.179 194 H CA -0.194 55.813 56.048 -0.068 0.000 1.343 194 H CB 0.765 30.465 29.762 -0.103 0.000 1.501 194 H HN 0.290 nan 8.280 nan 0.000 0.569 195 R N 1.511 122.048 120.500 0.062 0.000 2.643 195 R HA 0.091 4.432 4.340 0.001 0.000 0.270 195 R C -2.197 174.112 176.300 0.014 0.000 1.061 195 R CA -1.358 54.747 56.100 0.009 0.000 1.107 195 R CB -0.086 30.188 30.300 -0.043 0.000 0.999 195 R HN 0.379 nan 8.270 nan 0.000 0.460 196 P HA -0.114 nan 4.420 nan 0.000 0.265 196 P C -0.228 177.084 177.300 0.019 0.000 1.187 196 P CA 0.421 63.543 63.100 0.037 0.000 0.766 196 P CB 0.284 32.003 31.700 0.032 0.000 0.820 197 Y N 4.507 124.751 120.300 -0.094 0.000 2.163 197 Y HA -0.206 4.345 4.550 0.001 0.000 0.288 197 Y C 2.222 178.027 175.900 -0.159 0.000 1.136 197 Y CA 1.615 59.611 58.100 -0.173 0.000 1.147 197 Y CB -0.147 38.222 38.460 -0.152 0.000 0.987 197 Y HN 0.218 nan 8.280 nan 0.000 0.509 198 R N 0.383 120.988 120.500 0.174 0.000 2.083 198 R HA -0.225 4.115 4.340 0.001 0.000 0.237 198 R C 2.332 178.620 176.300 -0.021 0.000 1.137 198 R CA 2.042 58.204 56.100 0.102 0.000 0.951 198 R CB -0.544 29.828 30.300 0.120 0.000 0.851 198 R HN 0.684 nan 8.270 nan 0.000 0.434 199 E N -0.183 120.003 120.200 -0.022 0.000 2.204 199 E HA -0.131 4.219 4.350 0.001 0.000 0.195 199 E C 1.350 177.911 176.600 -0.066 0.000 0.990 199 E CA 1.504 57.888 56.400 -0.028 0.000 0.821 199 E CB -0.191 29.504 29.700 -0.008 0.000 0.750 199 E HN 0.121 nan 8.360 nan 0.000 0.477 200 T N 0.908 115.368 114.554 -0.157 0.000 2.777 200 T HA -0.077 4.273 4.350 0.001 0.000 0.266 200 T C 1.993 176.597 174.700 -0.161 0.000 1.040 200 T CA 1.306 63.288 62.100 -0.198 0.000 1.141 200 T CB -0.132 68.479 68.868 -0.429 0.000 0.868 200 T HN 0.055 nan 8.240 nan 0.000 0.444 201 V N 1.718 121.453 119.914 -0.298 0.000 2.407 201 V HA -0.169 3.952 4.120 0.001 0.000 0.248 201 V C 2.576 178.652 176.094 -0.029 0.000 1.055 201 V CA 1.537 63.749 62.300 -0.147 0.000 1.049 201 V CB -0.596 31.094 31.823 -0.221 0.000 0.662 201 V HN 0.409 nan 8.190 nan 0.000 0.455 202 R N -0.062 120.413 120.500 -0.042 0.000 2.073 202 R HA -0.196 4.144 4.340 0.001 0.000 0.234 202 R C 2.387 178.683 176.300 -0.007 0.000 1.134 202 R CA 1.791 57.878 56.100 -0.023 0.000 0.952 202 R CB -0.359 29.938 30.300 -0.004 0.000 0.850 202 R HN 0.625 nan 8.270 nan 0.000 0.433 203 E N 0.641 120.852 120.200 0.020 0.000 2.031 203 E HA -0.217 4.134 4.350 0.001 0.000 0.193 203 E C 1.789 178.420 176.600 0.051 0.000 0.994 203 E CA 1.076 57.494 56.400 0.029 0.000 0.800 203 E CB -0.181 29.548 29.700 0.048 0.000 0.752 203 E HN 0.282 nan 8.360 nan 0.000 0.447 204 F N 1.380 121.300 119.950 -0.051 0.000 2.045 204 F HA -0.318 4.210 4.527 0.001 0.000 0.297 204 F C 2.072 177.817 175.800 -0.092 0.000 1.114 204 F CA 1.630 59.605 58.000 -0.041 0.000 1.207 204 F CB -0.143 38.904 39.000 0.079 0.000 0.964 204 F HN 0.037 nan 8.300 nan 0.000 0.486 205 L N 0.047 121.151 121.223 -0.198 0.000 2.079 205 L HA -0.245 4.095 4.340 0.001 0.000 0.210 205 L C 2.437 179.166 176.870 -0.234 0.000 1.081 205 L CA 1.583 56.231 54.840 -0.321 0.000 0.752 205 L CB -0.883 41.048 42.059 -0.212 0.000 0.896 205 L HN 0.296 nan 8.230 nan 0.000 0.433 206 E N 0.453 120.567 120.200 -0.143 0.000 2.038 206 E HA -0.235 4.116 4.350 0.001 0.000 0.195 206 E C 2.300 178.812 176.600 -0.147 0.000 1.000 206 E CA 1.468 57.802 56.400 -0.110 0.000 0.803 206 E CB -0.114 29.547 29.700 -0.064 0.000 0.750 206 E HN 0.462 nan 8.360 nan 0.000 0.448 207 I N 1.011 121.464 120.570 -0.195 0.000 2.099 207 I HA -0.336 3.835 4.170 0.001 0.000 0.239 207 I C 2.514 178.496 176.117 -0.225 0.000 1.066 207 I CA 1.121 62.273 61.300 -0.247 0.000 1.324 207 I CB -0.340 37.430 38.000 -0.384 0.000 1.037 207 I HN 0.132 nan 8.210 nan 0.000 0.401 208 L N 0.325 121.352 121.223 -0.327 0.000 2.043 208 L HA -0.269 4.071 4.340 0.001 0.000 0.212 208 L C 2.645 179.390 176.870 -0.208 0.000 1.075 208 L CA 1.563 56.210 54.840 -0.321 0.000 0.752 208 L CB -0.588 41.159 42.059 -0.520 0.000 0.891 208 L HN 0.278 nan 8.230 nan 0.000 0.432 209 E N 0.745 120.829 120.200 -0.193 0.000 2.038 209 E HA -0.282 4.069 4.350 0.001 0.000 0.195 209 E C 2.088 178.634 176.600 -0.091 0.000 1.000 209 E CA 1.893 58.216 56.400 -0.128 0.000 0.803 209 E CB -0.110 29.525 29.700 -0.109 0.000 0.750 209 E HN 0.284 nan 8.360 nan 0.000 0.448 210 K N -0.671 119.679 120.400 -0.082 0.000 1.978 210 K HA -0.185 4.135 4.320 0.001 0.000 0.214 210 K C 2.357 178.932 176.600 -0.040 0.000 1.049 210 K CA 2.202 58.459 56.287 -0.050 0.000 0.939 210 K CB -0.851 31.628 32.500 -0.036 0.000 0.721 210 K HN 0.286 nan 8.250 nan 0.000 0.441 211 T N 0.577 115.104 114.554 -0.044 0.000 2.708 211 T HA -0.121 4.230 4.350 0.001 0.000 0.266 211 T C 2.010 176.689 174.700 -0.034 0.000 1.037 211 T CA 1.542 63.626 62.100 -0.027 0.000 1.146 211 T CB -0.278 68.579 68.868 -0.018 0.000 0.865 211 T HN 0.299 nan 8.240 nan 0.000 0.435 212 L N 0.799 121.988 121.223 -0.056 0.000 2.191 212 L HA -0.029 4.312 4.340 0.001 0.000 0.212 212 L C 3.021 179.867 176.870 -0.040 0.000 1.103 212 L CA 1.169 55.979 54.840 -0.051 0.000 0.769 212 L CB -0.527 41.487 42.059 -0.075 0.000 0.908 212 L HN 0.320 nan 8.230 nan 0.000 0.438 213 S N -0.573 115.102 115.700 -0.041 0.000 2.489 213 S HA -0.111 4.360 4.470 0.001 0.000 0.228 213 S C 1.469 176.057 174.600 -0.020 0.000 0.995 213 S CA 0.641 58.822 58.200 -0.032 0.000 0.934 213 S CB 0.023 63.203 63.200 -0.033 0.000 0.771 213 S HN 0.590 nan 8.310 nan 0.000 0.522 214 Q N -0.426 119.365 119.800 -0.016 0.000 2.189 214 Q HA 0.432 4.773 4.340 0.001 0.000 0.221 214 Q C 0.878 176.875 176.000 -0.005 0.000 0.848 214 Q CA 0.294 56.092 55.803 -0.008 0.000 1.007 214 Q CB 0.171 28.907 28.738 -0.004 0.000 1.116 214 Q HN 0.275 nan 8.270 nan 0.000 0.481 215 G N 0.280 109.075 108.800 -0.008 0.000 2.168 215 G HA2 -0.299 3.662 3.960 0.001 0.000 0.257 215 G HA3 -0.299 3.662 3.960 0.001 0.000 0.257 215 G C 0.399 175.300 174.900 0.002 0.000 0.997 215 G CA -0.015 45.083 45.100 -0.003 0.000 0.708 215 G HN 0.702 nan 8.290 nan 0.000 0.520 216 G N -0.782 108.017 108.800 -0.001 0.000 2.580 216 G HA2 0.568 4.529 3.960 0.001 0.000 0.278 216 G HA3 0.568 4.529 3.960 0.001 0.000 0.278 216 G C 0.056 174.957 174.900 0.003 0.000 1.212 216 G CA -0.551 44.552 45.100 0.004 0.000 0.939 216 G HN 0.445 nan 8.290 nan 0.000 0.513 217 K N -0.588 119.816 120.400 0.008 0.000 2.138 217 K HA 0.490 4.811 4.320 0.001 0.000 0.263 217 K C -0.984 175.613 176.600 -0.005 0.000 0.965 217 K CA -0.637 55.653 56.287 0.005 0.000 0.868 217 K CB 2.461 34.968 32.500 0.012 0.000 1.083 217 K HN 0.142 nan 8.250 nan 0.000 0.443 218 V N 4.096 124.001 119.914 -0.016 0.000 2.347 218 V HA 0.199 4.320 4.120 0.001 0.000 0.280 218 V C -0.810 175.261 176.094 -0.038 0.000 1.021 218 V CA -0.906 61.380 62.300 -0.023 0.000 0.847 218 V CB 1.036 32.836 31.823 -0.039 0.000 0.990 218 V HN 0.487 nan 8.190 nan 0.000 0.444 219 L N 6.834 128.026 121.223 -0.052 0.000 2.265 219 L HA 0.559 4.900 4.340 0.001 0.000 0.289 219 L C -0.171 176.619 176.870 -0.134 0.000 1.033 219 L CA -0.065 54.716 54.840 -0.097 0.000 0.814 219 L CB 1.131 43.139 42.059 -0.086 0.000 1.203 219 L HN 0.471 nan 8.230 nan 0.000 0.423 220 I N 6.322 126.812 120.570 -0.134 0.000 2.437 220 I HA 0.302 4.473 4.170 0.001 0.000 0.279 220 I C -2.187 173.829 176.117 -0.168 0.000 1.028 220 I CA -1.724 59.484 61.300 -0.155 0.000 1.142 220 I CB 1.924 39.864 38.000 -0.099 0.000 1.266 220 I HN 0.363 nan 8.210 nan 0.000 0.461 221 P HA 0.192 nan 4.420 nan 0.000 0.276 221 P C -0.513 176.667 177.300 -0.201 0.000 1.230 221 P CA 0.120 63.116 63.100 -0.174 0.000 0.776 221 P CB 1.207 32.818 31.700 -0.149 0.000 0.888 222 T N -0.499 113.920 114.554 -0.226 0.000 2.853 222 T HA 0.584 4.935 4.350 0.001 0.000 0.311 222 T C -0.551 173.995 174.700 -0.257 0.000 1.307 222 T CA -0.695 61.262 62.100 -0.238 0.000 1.019 222 T CB 0.455 69.273 68.868 -0.083 0.000 1.264 222 T HN 0.036 nan 8.240 nan 0.000 0.497 223 F N 0.886 120.867 119.950 0.052 0.000 2.382 223 F HA 0.603 5.130 4.527 0.001 0.000 0.331 223 F C 1.856 177.689 175.800 0.054 0.000 1.121 223 F CA -0.555 57.480 58.000 0.058 0.000 1.183 223 F CB 0.837 39.880 39.000 0.070 0.000 1.207 223 F HN 0.876 nan 8.300 nan 0.000 0.555 224 A N 1.659 124.624 122.820 0.242 0.000 2.014 224 A HA 0.006 4.327 4.320 0.001 0.000 0.218 224 A C 1.895 179.551 177.584 0.120 0.000 1.163 224 A CA 1.156 53.273 52.037 0.133 0.000 0.652 224 A CB -0.706 18.354 19.000 0.100 0.000 0.808 224 A HN 0.601 nan 8.150 nan 0.000 0.449 225 V N 0.160 120.195 119.914 0.202 0.000 2.273 225 V HA -0.166 3.954 4.120 0.001 0.000 0.242 225 V C 2.403 178.585 176.094 0.146 0.000 1.035 225 V CA 2.429 64.834 62.300 0.176 0.000 1.013 225 V CB -0.420 31.571 31.823 0.281 0.000 0.652 225 V HN 0.889 nan 8.190 nan 0.000 0.452 226 E N -0.631 119.687 120.200 0.196 0.000 2.399 226 E HA 0.029 4.380 4.350 0.001 0.000 0.206 226 E C 2.019 178.735 176.600 0.193 0.000 0.812 226 E CA -0.040 56.467 56.400 0.178 0.000 1.138 226 E CB -0.335 29.419 29.700 0.091 0.000 1.140 226 E HN 0.143 nan 8.360 nan 0.000 0.536 227 R N 1.390 122.024 120.500 0.224 0.000 2.105 227 R HA 0.092 4.433 4.340 0.001 0.000 0.239 227 R C 2.067 178.450 176.300 0.138 0.000 1.135 227 R CA 1.956 58.186 56.100 0.216 0.000 0.967 227 R CB -0.922 29.558 30.300 0.300 0.000 0.861 227 R HN 0.350 nan 8.270 nan 0.000 0.442 228 A N 0.724 123.610 122.820 0.109 0.000 1.858 228 A HA -0.195 4.126 4.320 0.001 0.000 0.216 228 A C 1.904 179.537 177.584 0.081 0.000 1.190 228 A CA 1.623 53.693 52.037 0.055 0.000 0.617 228 A CB -0.599 18.416 19.000 0.025 0.000 0.827 228 A HN 0.484 nan 8.150 nan 0.000 0.443 229 Q N 0.060 119.891 119.800 0.051 0.000 2.170 229 Q HA -0.232 4.108 4.340 0.001 0.000 0.203 229 Q C 1.743 177.976 176.000 0.389 0.000 0.976 229 Q CA 1.694 57.556 55.803 0.098 0.000 0.858 229 Q CB -0.683 27.881 28.738 -0.290 0.000 0.907 229 Q HN 0.882 nan 8.270 nan 0.000 0.433 230 E N 0.643 121.050 120.200 0.344 0.000 2.077 230 E HA -0.153 4.198 4.350 0.001 0.000 0.193 230 E C 1.921 178.754 176.600 0.389 0.000 0.989 230 E CA 0.779 57.430 56.400 0.418 0.000 0.800 230 E CB 0.130 30.047 29.700 0.363 0.000 0.746 230 E HN 0.223 nan 8.360 nan 0.000 0.452 231 I N 1.219 121.918 120.570 0.215 0.000 2.286 231 I HA -0.246 3.925 4.170 0.001 0.000 0.248 231 I C 2.389 178.647 176.117 0.234 0.000 1.115 231 I CA 1.044 62.412 61.300 0.113 0.000 1.392 231 I CB -0.974 36.985 38.000 -0.068 0.000 1.065 231 I HN 0.289 nan 8.210 nan 0.000 0.418 232 L N -0.808 120.563 121.223 0.247 0.000 2.093 232 L HA -0.256 4.084 4.340 0.001 0.000 0.208 232 L C 2.689 179.722 176.870 0.271 0.000 1.085 232 L CA 1.297 56.281 54.840 0.240 0.000 0.755 232 L CB -0.779 41.423 42.059 0.238 0.000 0.904 232 L HN 0.162 nan 8.230 nan 0.000 0.435 233 Y N 0.191 120.602 120.300 0.185 0.000 2.181 233 Y HA -0.214 4.337 4.550 0.001 0.000 0.288 233 Y C 2.371 178.356 175.900 0.142 0.000 1.146 233 Y CA 1.486 59.582 58.100 -0.005 0.000 1.164 233 Y CB -0.154 38.241 38.460 -0.108 0.000 0.982 233 Y HN -0.161 nan 8.280 nan 0.000 0.515 234 V N 0.325 120.453 119.914 0.357 0.000 2.427 234 V HA -0.309 3.812 4.120 0.001 0.000 0.248 234 V C 2.370 178.644 176.094 0.301 0.000 1.051 234 V CA 1.868 64.395 62.300 0.379 0.000 1.048 234 V CB -0.689 31.438 31.823 0.506 0.000 0.666 234 V HN 0.426 nan 8.190 nan 0.000 0.456 235 L N -1.346 120.019 121.223 0.236 0.000 2.027 235 L HA -0.188 4.153 4.340 0.001 0.000 0.206 235 L C 2.472 179.360 176.870 0.030 0.000 1.074 235 L CA 2.118 57.029 54.840 0.119 0.000 0.745 235 L CB -0.745 41.372 42.059 0.096 0.000 0.898 235 L HN 0.373 nan 8.230 nan 0.000 0.433 236 Y N 1.552 121.786 120.300 -0.110 0.000 2.081 236 Y HA -0.362 4.189 4.550 0.001 0.000 0.280 236 Y C 2.800 178.542 175.900 -0.263 0.000 1.163 236 Y CA 2.357 60.332 58.100 -0.209 0.000 1.135 236 Y CB -0.356 37.915 38.460 -0.316 0.000 0.970 236 Y HN 0.289 nan 8.280 nan 0.000 0.498 237 T N -2.761 111.759 114.554 -0.056 0.000 3.163 237 T HA -0.080 4.270 4.350 0.001 0.000 0.260 237 T C 0.545 174.999 174.700 -0.411 0.000 1.156 237 T CA 1.175 63.161 62.100 -0.189 0.000 1.072 237 T CB -0.387 68.281 68.868 -0.333 0.000 0.937 237 T HN 0.575 nan 8.240 nan 0.000 0.528 238 H N -0.875 118.057 119.070 -0.229 0.000 2.777 238 H HA 0.362 4.918 4.556 0.001 0.000 0.244 238 H C 1.706 176.692 175.328 -0.571 0.000 1.185 238 H CA -0.063 55.703 56.048 -0.469 0.000 0.945 238 H CB 0.567 30.197 29.762 -0.221 0.000 1.994 238 H HN 0.454 nan 8.280 nan 0.000 0.638 239 G N 0.434 108.983 108.800 -0.418 0.000 2.464 239 G HA2 -0.197 3.764 3.960 0.001 0.000 0.217 239 G HA3 -0.197 3.764 3.960 0.001 0.000 0.217 239 G C 1.077 175.799 174.900 -0.296 0.000 1.138 239 G CA 0.116 45.031 45.100 -0.309 0.000 0.793 239 G HN 0.497 nan 8.290 nan 0.000 0.539 240 H N 0.034 119.026 119.070 -0.129 0.000 3.133 240 H HA 0.166 4.723 4.556 0.001 0.000 0.280 240 H C 1.423 176.711 175.328 -0.066 0.000 1.073 240 H CA 0.810 56.797 56.048 -0.102 0.000 1.235 240 H CB -0.479 29.219 29.762 -0.107 0.000 1.287 240 H HN 0.587 nan 8.280 nan 0.000 0.695 241 R N -1.631 118.795 120.500 -0.122 0.000 2.208 241 R HA 0.089 4.430 4.340 0.001 0.000 0.131 241 R C -0.883 175.359 176.300 -0.097 0.000 0.610 241 R CA -0.402 55.659 56.100 -0.065 0.000 1.080 241 R CB -0.374 29.917 30.300 -0.015 0.000 1.294 241 R HN 0.184 nan 8.270 nan 0.000 0.476 242 L N 5.109 126.248 121.223 -0.139 0.000 2.319 242 L HA 0.409 4.749 4.340 0.001 0.000 0.280 242 L C -1.745 175.065 176.870 -0.101 0.000 1.099 242 L CA -1.939 52.822 54.840 -0.131 0.000 0.828 242 L CB 0.769 42.733 42.059 -0.158 0.000 1.150 242 L HN -0.083 nan 8.230 nan 0.000 0.442 243 P HA -0.015 nan 4.420 nan 0.000 0.262 243 P C -0.923 176.337 177.300 -0.066 0.000 1.182 243 P CA -0.349 62.712 63.100 -0.066 0.000 0.761 243 P CB 0.290 31.956 31.700 -0.057 0.000 0.795 244 R N 1.872 122.338 120.500 -0.057 0.000 2.494 244 R HA 0.403 4.743 4.340 0.001 0.000 0.291 244 R C 0.446 176.717 176.300 -0.049 0.000 0.953 244 R CA 0.516 56.583 56.100 -0.056 0.000 1.098 244 R CB -0.788 29.485 30.300 -0.045 0.000 0.911 244 R HN 0.628 nan 8.270 nan 0.000 0.407 245 A N 3.737 126.522 122.820 -0.058 0.000 2.594 245 A HA 0.546 4.867 4.320 0.001 0.000 0.296 245 A C -2.717 174.823 177.584 -0.073 0.000 1.056 245 A CA -1.486 50.523 52.037 -0.046 0.000 0.693 245 A CB 1.235 20.212 19.000 -0.038 0.000 1.278 245 A HN 0.557 nan 8.150 nan 0.000 0.408 246 P HA 0.575 nan 4.420 nan 0.000 0.274 246 P C -0.862 176.300 177.300 -0.229 0.000 1.237 246 P CA -0.048 62.918 63.100 -0.223 0.000 0.793 246 P CB 0.797 32.304 31.700 -0.323 0.000 0.977 247 I N 2.175 122.552 120.570 -0.320 0.000 2.466 247 I HA 0.217 4.388 4.170 0.001 0.000 0.279 247 I C -0.514 175.459 176.117 -0.240 0.000 1.033 247 I CA -0.802 60.393 61.300 -0.175 0.000 1.123 247 I CB 0.706 38.651 38.000 -0.091 0.000 1.237 247 I HN 0.231 nan 8.210 nan 0.000 0.460 248 Y N 6.046 126.326 120.300 -0.033 0.000 2.383 248 Y HA 0.273 4.824 4.550 0.001 0.000 0.344 248 Y C 0.174 176.050 175.900 -0.040 0.000 0.986 248 Y CA -0.676 57.405 58.100 -0.031 0.000 1.175 248 Y CB 1.056 39.495 38.460 -0.035 0.000 1.152 248 Y HN 0.420 nan 8.280 nan 0.000 0.511 249 L N 4.788 126.064 121.223 0.087 0.000 2.422 249 L HA 0.252 4.593 4.340 0.001 0.000 0.256 249 L C 0.043 176.951 176.870 0.063 0.000 1.202 249 L CA -0.168 54.700 54.840 0.047 0.000 1.119 249 L CB -0.472 41.599 42.059 0.019 0.000 1.383 249 L HN 0.509 nan 8.230 nan 0.000 0.411 250 D N 1.874 122.315 120.400 0.069 0.000 2.662 250 D HA 0.087 4.728 4.640 0.001 0.000 0.228 250 D C -0.574 175.758 176.300 0.053 0.000 1.093 250 D CA 0.518 54.566 54.000 0.079 0.000 1.075 250 D CB -0.083 40.778 40.800 0.102 0.000 1.122 250 D HN 0.365 nan 8.370 nan 0.000 0.475 251 S N 1.741 117.458 115.700 0.029 0.000 2.461 251 S HA 0.315 4.785 4.470 0.001 0.000 0.245 251 S C -2.184 172.411 174.600 -0.007 0.000 1.039 251 S CA -1.023 57.185 58.200 0.014 0.000 1.077 251 S CB 1.369 64.579 63.200 0.017 0.000 1.171 251 S HN -0.064 nan 8.310 nan 0.000 0.433 252 P HA -0.135 nan 4.420 nan 0.000 0.216 252 P C 1.497 178.780 177.300 -0.029 0.000 1.150 252 P CA 1.089 64.159 63.100 -0.051 0.000 0.843 252 P CB 0.100 31.752 31.700 -0.080 0.000 0.787 253 M N -0.867 118.727 119.600 -0.010 0.000 2.123 253 M HA -0.028 4.453 4.480 0.001 0.000 0.263 253 M C 2.008 178.301 176.300 -0.012 0.000 1.069 253 M CA 1.880 57.179 55.300 -0.000 0.000 1.133 253 M CB -0.644 31.971 32.600 0.025 0.000 1.356 253 M HN -0.153 nan 8.290 nan 0.000 0.415 254 A N 0.306 123.121 122.820 -0.008 0.000 1.958 254 A HA -0.134 4.187 4.320 0.001 0.000 0.221 254 A C 2.272 179.813 177.584 -0.071 0.000 1.178 254 A CA 2.051 54.067 52.037 -0.035 0.000 0.642 254 A CB -1.918 17.071 19.000 -0.018 0.000 0.816 254 A HN 0.691 nan 8.150 nan 0.000 0.453 255 G N -0.763 108.010 108.800 -0.045 0.000 2.421 255 G HA2 -0.233 3.728 3.960 0.001 0.000 0.216 255 G HA3 -0.233 3.728 3.960 0.001 0.000 0.216 255 G C 1.749 176.619 174.900 -0.049 0.000 1.171 255 G CA 0.876 45.949 45.100 -0.045 0.000 0.775 255 G HN 0.591 nan 8.290 nan 0.000 0.543 256 R N -0.303 120.174 120.500 -0.038 0.000 2.120 256 R HA 0.012 4.353 4.340 0.001 0.000 0.234 256 R C 2.602 178.877 176.300 -0.043 0.000 1.123 256 R CA 0.904 56.988 56.100 -0.027 0.000 0.975 256 R CB -0.389 29.903 30.300 -0.014 0.000 0.866 256 R HN 0.311 nan 8.270 nan 0.000 0.446 257 V N 1.222 121.088 119.914 -0.081 0.000 2.379 257 V HA -0.197 3.924 4.120 0.001 0.000 0.245 257 V C 2.111 178.029 176.094 -0.293 0.000 1.044 257 V CA 1.298 63.516 62.300 -0.137 0.000 1.036 257 V CB -0.364 31.363 31.823 -0.160 0.000 0.664 257 V HN 0.229 nan 8.190 nan 0.000 0.453 258 L N 0.064 121.089 121.223 -0.330 0.000 2.131 258 L HA -0.110 4.230 4.340 0.001 0.000 0.210 258 L C 2.386 179.192 176.870 -0.107 0.000 1.092 258 L CA 1.978 56.597 54.840 -0.369 0.000 0.759 258 L CB -0.647 41.290 42.059 -0.205 0.000 0.903 258 L HN 0.266 nan 8.230 nan 0.000 0.435 259 S N -0.623 115.054 115.700 -0.039 0.000 2.387 259 S HA -0.093 4.377 4.470 0.001 0.000 0.226 259 S C 1.715 176.365 174.600 0.083 0.000 1.026 259 S CA 1.237 59.459 58.200 0.037 0.000 0.972 259 S CB -0.408 62.806 63.200 0.024 0.000 0.814 259 S HN 0.439 nan 8.310 nan 0.000 0.477 260 L N 0.710 121.981 121.223 0.080 0.000 2.376 260 L HA 0.141 4.481 4.340 0.001 0.000 0.219 260 L C 1.577 178.591 176.870 0.240 0.000 1.133 260 L CA 1.239 56.152 54.840 0.122 0.000 0.816 260 L CB -0.689 41.426 42.059 0.093 0.000 0.933 260 L HN 0.362 nan 8.230 nan 0.000 0.449 261 Y N 0.339 120.661 120.300 0.038 0.000 2.165 261 Y HA -0.194 4.356 4.550 0.001 0.000 0.286 261 Y C -0.215 175.786 175.900 0.169 0.000 1.155 261 Y CA 0.938 59.106 58.100 0.114 0.000 1.164 261 Y CB -1.169 37.264 38.460 -0.045 0.000 0.978 261 Y HN 0.291 nan 8.280 nan 0.000 0.513 262 P HA -0.130 nan 4.420 nan 0.000 0.222 262 P C 0.794 178.054 177.300 -0.067 0.000 1.147 262 P CA 1.535 64.663 63.100 0.047 0.000 0.790 262 P CB -0.028 31.815 31.700 0.239 0.000 0.780 263 R N -1.315 119.203 120.500 0.031 0.000 2.299 263 R HA 0.091 4.432 4.340 0.001 0.000 0.197 263 R C 0.390 176.692 176.300 0.005 0.000 0.971 263 R CA 0.483 56.589 56.100 0.010 0.000 1.030 263 R CB -0.176 30.142 30.300 0.030 0.000 0.932 263 R HN 0.134 nan 8.270 nan 0.000 0.477 264 L N -0.115 121.111 121.223 0.005 0.000 3.017 264 L HA 0.100 4.441 4.340 0.001 0.000 0.255 264 L C 1.311 178.166 176.870 -0.024 0.000 1.247 264 L CA 0.289 55.124 54.840 -0.007 0.000 1.038 264 L CB 0.490 42.414 42.059 -0.225 0.000 1.380 264 L HN -0.087 nan 8.230 nan 0.000 0.548 265 V N 1.433 121.315 119.914 -0.052 0.000 2.392 265 V HA -0.280 3.841 4.120 0.001 0.000 0.249 265 V C 2.731 178.844 176.094 0.031 0.000 1.059 265 V CA 2.201 64.482 62.300 -0.031 0.000 1.051 265 V CB -0.191 31.405 31.823 -0.378 0.000 0.658 265 V HN 0.737 nan 8.190 nan 0.000 0.455 266 R N -1.439 119.005 120.500 -0.094 0.000 2.152 266 R HA -0.177 4.163 4.340 0.001 0.000 0.232 266 R C 1.949 178.077 176.300 -0.287 0.000 1.117 266 R CA 2.085 58.066 56.100 -0.198 0.000 0.981 266 R CB -0.915 29.198 30.300 -0.312 0.000 0.870 266 R HN 0.564 nan 8.270 nan 0.000 0.451 267 Y N 0.318 120.457 120.300 -0.268 0.000 2.583 267 Y HA 0.131 4.681 4.550 0.001 0.000 0.293 267 Y C 0.480 176.081 175.900 -0.497 0.000 1.157 267 Y CA 0.108 57.976 58.100 -0.387 0.000 1.315 267 Y CB -0.019 38.114 38.460 -0.544 0.000 1.021 267 Y HN -0.108 nan 8.280 nan 0.000 0.536 268 F N -0.809 119.160 119.950 0.031 0.000 2.364 268 F HA 0.319 4.847 4.527 0.001 0.000 0.316 268 F C 1.126 176.921 175.800 -0.007 0.000 1.133 268 F CA -1.490 56.516 58.000 0.011 0.000 1.051 268 F CB 0.163 39.208 39.000 0.074 0.000 1.342 268 F HN -0.284 nan 8.300 nan 0.000 0.507 269 S N -0.069 115.763 115.700 0.221 0.000 2.626 269 S HA 0.101 4.572 4.470 0.001 0.000 0.257 269 S C 0.914 175.574 174.600 0.100 0.000 1.288 269 S CA -0.601 57.655 58.200 0.093 0.000 0.980 269 S CB 0.592 63.818 63.200 0.043 0.000 0.975 269 S HN 0.557 nan 8.310 nan 0.000 0.577 270 E N 0.936 121.169 120.200 0.056 0.000 2.017 270 E HA -0.190 4.161 4.350 0.001 0.000 0.193 270 E C 1.959 178.606 176.600 0.078 0.000 0.997 270 E CA 1.555 57.988 56.400 0.055 0.000 0.804 270 E CB -0.812 28.903 29.700 0.026 0.000 0.757 270 E HN 0.919 nan 8.360 nan 0.000 0.448 271 E N 0.736 120.982 120.200 0.077 0.000 2.147 271 E HA -0.184 4.166 4.350 0.001 0.000 0.199 271 E C 2.039 178.764 176.600 0.209 0.000 1.005 271 E CA 1.388 57.857 56.400 0.115 0.000 0.810 271 E CB 0.160 29.941 29.700 0.136 0.000 0.736 271 E HN 0.020 nan 8.360 nan 0.000 0.460 272 V N 0.607 120.622 119.914 0.169 0.000 2.488 272 V HA -0.189 3.931 4.120 0.001 0.000 0.246 272 V C 2.267 178.535 176.094 0.289 0.000 1.046 272 V CA 1.651 64.051 62.300 0.167 0.000 1.053 272 V CB -0.309 31.475 31.823 -0.066 0.000 0.679 272 V HN 0.286 nan 8.190 nan 0.000 0.458 273 Q N -0.207 119.756 119.800 0.271 0.000 2.119 273 Q HA -0.131 4.210 4.340 0.001 0.000 0.201 273 Q C 2.438 178.571 176.000 0.221 0.000 0.972 273 Q CA 1.532 57.509 55.803 0.291 0.000 0.847 273 Q CB -0.384 28.459 28.738 0.175 0.000 0.903 273 Q HN 0.666 nan 8.270 nan 0.000 0.433 274 A N 1.381 124.273 122.820 0.120 0.000 1.859 274 A HA -0.299 4.022 4.320 0.001 0.000 0.218 274 A C 1.783 179.363 177.584 -0.006 0.000 1.209 274 A CA 1.890 53.936 52.037 0.016 0.000 0.639 274 A CB -1.173 17.783 19.000 -0.074 0.000 0.835 274 A HN 0.418 nan 8.150 nan 0.000 0.450 275 H N -1.771 117.304 119.070 0.008 0.000 2.265 275 H HA -0.204 4.353 4.556 0.001 0.000 0.293 275 H C 2.014 177.294 175.328 -0.080 0.000 1.089 275 H CA 2.241 58.229 56.048 -0.099 0.000 1.244 275 H CB -0.727 28.868 29.762 -0.278 0.000 1.355 275 H HN 0.548 nan 8.280 nan 0.000 0.485 276 F N 0.126 120.144 119.950 0.112 0.000 2.307 276 F HA -0.163 4.364 4.527 0.001 0.000 0.301 276 F C 2.470 178.308 175.800 0.062 0.000 1.076 276 F CA 0.470 58.519 58.000 0.081 0.000 1.383 276 F CB -0.320 38.739 39.000 0.098 0.000 1.055 276 F HN 0.041 nan 8.300 nan 0.000 0.526 277 L N -0.336 121.012 121.223 0.209 0.000 2.068 277 L HA -0.128 4.212 4.340 0.001 0.000 0.204 277 L C 2.181 179.100 176.870 0.081 0.000 1.076 277 L CA 1.621 56.536 54.840 0.124 0.000 0.753 277 L CB -0.763 41.343 42.059 0.079 0.000 0.910 277 L HN 0.090 nan 8.230 nan 0.000 0.439 278 Q N -0.862 118.967 119.800 0.049 0.000 2.508 278 Q HA 0.007 4.348 4.340 0.001 0.000 0.214 278 Q C 1.468 177.500 176.000 0.053 0.000 0.979 278 Q CA 0.802 56.623 55.803 0.031 0.000 0.911 278 Q CB -0.075 28.665 28.738 0.004 0.000 0.969 278 Q HN 0.691 nan 8.270 nan 0.000 0.504 279 G N 0.519 109.369 108.800 0.082 0.000 2.313 279 G HA2 -0.248 3.713 3.960 0.001 0.000 0.215 279 G HA3 -0.248 3.713 3.960 0.001 0.000 0.215 279 G C 0.263 175.213 174.900 0.083 0.000 1.023 279 G CA -0.141 45.016 45.100 0.094 0.000 0.626 279 G HN 0.206 nan 8.290 nan 0.000 0.503 280 K N 0.647 121.069 120.400 0.036 0.000 2.149 280 K HA 0.358 4.679 4.320 0.001 0.000 0.245 280 K C -0.243 176.211 176.600 -0.244 0.000 1.024 280 K CA -0.288 55.990 56.287 -0.016 0.000 0.899 280 K CB 0.276 32.817 32.500 0.067 0.000 1.038 280 K HN 0.191 nan 8.250 nan 0.000 0.496 281 N N 2.075 120.603 118.700 -0.286 0.000 2.511 281 N HA 0.149 4.889 4.740 0.001 0.000 0.249 281 N C -2.073 172.977 175.510 -0.767 0.000 0.971 281 N CA -2.020 50.705 53.050 -0.543 0.000 0.938 281 N CB 1.288 39.719 38.487 -0.094 0.000 1.131 281 N HN 0.270 nan 8.380 nan 0.000 0.505 282 P HA -0.034 nan 4.420 nan 0.000 0.230 282 P C 0.250 176.876 177.300 -1.123 0.000 1.158 282 P CA 0.689 62.678 63.100 -1.852 0.000 0.769 282 P CB -0.051 30.745 31.700 -1.507 0.000 0.807 283 F N 0.265 120.002 119.950 -0.355 0.000 2.713 283 F HA 0.264 4.791 4.527 0.001 0.000 0.294 283 F C 1.288 177.085 175.800 -0.006 0.000 1.152 283 F CA -0.042 57.926 58.000 -0.053 0.000 1.385 283 F CB 0.156 39.184 39.000 0.046 0.000 0.981 283 F HN -0.301 nan 8.300 nan 0.000 0.514 284 R N 1.479 122.061 120.500 0.137 0.000 2.644 284 R HA 0.241 4.582 4.340 0.001 0.000 0.271 284 R C -2.783 173.659 176.300 0.236 0.000 1.687 284 R CA -1.333 54.869 56.100 0.170 0.000 1.655 284 R CB 0.495 30.872 30.300 0.127 0.000 1.285 284 R HN 0.005 nan 8.270 nan 0.000 0.643 285 P HA 0.019 nan 4.420 nan 0.000 0.271 285 P C -0.118 177.172 177.300 -0.017 0.000 1.233 285 P CA -0.217 62.922 63.100 0.065 0.000 0.789 285 P CB 0.712 32.431 31.700 0.032 0.000 0.951 286 A N 0.647 123.411 122.820 -0.094 0.000 2.520 286 A HA 0.409 4.729 4.320 0.001 0.000 0.245 286 A C 1.413 178.946 177.584 -0.084 0.000 1.072 286 A CA 0.598 52.582 52.037 -0.090 0.000 0.761 286 A CB -1.542 17.388 19.000 -0.116 0.000 1.004 286 A HN 0.947 nan 8.150 nan 0.000 0.499 287 G N 0.791 109.543 108.800 -0.080 0.000 2.176 287 G HA2 -0.104 3.857 3.960 0.001 0.000 0.252 287 G HA3 -0.104 3.857 3.960 0.001 0.000 0.252 287 G C -0.026 174.783 174.900 -0.152 0.000 1.024 287 G CA 0.320 45.354 45.100 -0.111 0.000 0.755 287 G HN 1.733 nan 8.290 nan 0.000 0.507 288 L N 0.314 121.474 121.223 -0.104 0.000 2.361 288 L HA 0.803 5.144 4.340 0.001 0.000 0.278 288 L C 0.072 176.867 176.870 -0.124 0.000 1.113 288 L CA -0.606 54.170 54.840 -0.107 0.000 0.849 288 L CB 1.138 43.179 42.059 -0.031 0.000 1.155 288 L HN 0.202 nan 8.230 nan 0.000 0.452 289 E N 3.162 123.244 120.200 -0.197 0.000 2.212 289 E HA 0.523 4.874 4.350 0.001 0.000 0.268 289 E C -1.446 175.139 176.600 -0.025 0.000 0.902 289 E CA -0.497 55.824 56.400 -0.132 0.000 0.779 289 E CB 1.971 31.521 29.700 -0.251 0.000 1.172 289 E HN 0.380 nan 8.360 nan 0.000 0.409 290 V N 4.720 124.648 119.914 0.023 0.000 2.266 290 V HA 0.204 4.325 4.120 0.001 0.000 0.271 290 V C -0.569 175.561 176.094 0.061 0.000 1.032 290 V CA -0.827 61.496 62.300 0.039 0.000 0.806 290 V CB 1.189 33.020 31.823 0.013 0.000 1.052 290 V HN 0.543 nan 8.190 nan 0.000 0.449 291 V N 5.065 125.043 119.914 0.106 0.000 2.458 291 V HA 0.081 4.201 4.120 0.001 0.000 0.287 291 V C 1.409 177.510 176.094 0.012 0.000 1.009 291 V CA 0.255 62.611 62.300 0.093 0.000 1.091 291 V CB 0.349 32.242 31.823 0.117 0.000 0.960 291 V HN 0.821 nan 8.190 nan 0.000 0.476 292 E N 2.981 123.165 120.200 -0.027 0.000 2.140 292 E HA 0.056 4.407 4.350 0.001 0.000 0.191 292 E C 0.229 176.561 176.600 -0.445 0.000 0.973 292 E CA 0.871 57.131 56.400 -0.233 0.000 0.829 292 E CB 0.301 29.835 29.700 -0.276 0.000 0.781 292 E HN 0.889 nan 8.360 nan 0.000 0.466 293 H N -1.437 117.638 119.070 0.010 0.000 2.864 293 H HA 0.263 4.819 4.556 0.001 0.000 0.354 293 H C 1.113 176.425 175.328 -0.026 0.000 1.208 293 H CA -0.296 55.748 56.048 -0.007 0.000 1.191 293 H CB 1.069 30.825 29.762 -0.010 0.000 1.889 293 H HN -0.261 nan 8.280 nan 0.000 0.574 294 T N 0.368 114.983 114.554 0.101 0.000 2.607 294 T HA -0.214 4.137 4.350 0.001 0.000 0.267 294 T C 1.376 176.053 174.700 -0.039 0.000 1.049 294 T CA 2.146 64.238 62.100 -0.014 0.000 1.162 294 T CB -0.255 68.591 68.868 -0.037 0.000 0.863 294 T HN 0.580 nan 8.240 nan 0.000 0.424 295 E N 1.720 121.911 120.200 -0.013 0.000 2.065 295 E HA -0.146 4.204 4.350 0.001 0.000 0.201 295 E C 2.404 178.984 176.600 -0.033 0.000 1.016 295 E CA 1.519 57.899 56.400 -0.033 0.000 0.818 295 E CB -0.791 28.893 29.700 -0.026 0.000 0.749 295 E HN 0.548 nan 8.360 nan 0.000 0.453 296 A N 0.283 123.105 122.820 0.003 0.000 1.972 296 A HA -0.184 4.137 4.320 0.001 0.000 0.219 296 A C 2.314 179.876 177.584 -0.036 0.000 1.169 296 A CA 1.798 53.834 52.037 -0.002 0.000 0.635 296 A CB -0.724 18.305 19.000 0.048 0.000 0.810 296 A HN 0.239 nan 8.150 nan 0.000 0.446 297 S N -0.611 115.070 115.700 -0.031 0.000 2.355 297 S HA -0.151 4.319 4.470 0.001 0.000 0.222 297 S C 2.123 176.645 174.600 -0.130 0.000 1.031 297 S CA 1.509 59.683 58.200 -0.043 0.000 0.993 297 S CB -0.239 62.937 63.200 -0.040 0.000 0.859 297 S HN 0.487 nan 8.310 nan 0.000 0.453 298 K N 1.599 121.900 120.400 -0.166 0.000 2.026 298 K HA 0.042 4.363 4.320 0.001 0.000 0.208 298 K C 2.399 178.902 176.600 -0.161 0.000 1.048 298 K CA 1.241 57.410 56.287 -0.196 0.000 0.929 298 K CB -1.234 31.164 32.500 -0.169 0.000 0.713 298 K HN 0.434 nan 8.250 nan 0.000 0.439 299 A N 1.941 124.687 122.820 -0.122 0.000 1.971 299 A HA -0.206 4.115 4.320 0.001 0.000 0.222 299 A C 2.323 179.833 177.584 -0.124 0.000 1.182 299 A CA 1.667 53.639 52.037 -0.109 0.000 0.649 299 A CB -0.913 18.039 19.000 -0.081 0.000 0.818 299 A HN 0.254 nan 8.150 nan 0.000 0.458 300 L N -0.257 120.883 121.223 -0.138 0.000 2.187 300 L HA -0.231 4.110 4.340 0.001 0.000 0.213 300 L C 2.181 179.007 176.870 -0.073 0.000 1.100 300 L CA 1.165 55.914 54.840 -0.153 0.000 0.765 300 L CB -0.750 41.210 42.059 -0.165 0.000 0.904 300 L HN 0.446 nan 8.230 nan 0.000 0.437 301 N N 0.719 119.367 118.700 -0.087 0.000 2.120 301 N HA -0.161 4.580 4.740 0.001 0.000 0.188 301 N C 1.861 177.300 175.510 -0.118 0.000 1.024 301 N CA 1.305 54.301 53.050 -0.090 0.000 0.852 301 N CB -0.278 38.062 38.487 -0.245 0.000 1.003 301 N HN 0.444 nan 8.380 nan 0.000 0.424 302 R N 0.830 121.241 120.500 -0.148 0.000 2.153 302 R HA 0.228 4.568 4.340 0.001 0.000 0.218 302 R C 0.960 177.221 176.300 -0.065 0.000 1.072 302 R CA 0.418 56.450 56.100 -0.114 0.000 0.990 302 R CB -0.108 30.124 30.300 -0.113 0.000 0.889 302 R HN 0.080 nan 8.270 nan 0.000 0.452 303 A N 3.376 126.158 122.820 -0.064 0.000 2.425 303 A HA 0.240 4.560 4.320 0.001 0.000 0.242 303 A C -2.022 175.548 177.584 -0.022 0.000 1.077 303 A CA -1.153 50.859 52.037 -0.043 0.000 0.781 303 A CB -0.112 18.854 19.000 -0.057 0.000 1.020 303 A HN 0.025 nan 8.150 nan 0.000 0.494 304 P HA 0.348 nan 4.420 nan 0.000 0.282 304 P C 0.354 177.662 177.300 0.014 0.000 1.259 304 P CA 0.008 63.110 63.100 0.004 0.000 0.826 304 P CB 1.227 32.929 31.700 0.004 0.000 1.064 305 G N 1.607 110.417 108.800 0.016 0.000 2.516 305 G HA2 0.394 4.355 3.960 0.001 0.000 0.276 305 G HA3 0.394 4.355 3.960 0.001 0.000 0.276 305 G C -2.241 172.672 174.900 0.021 0.000 1.390 305 G CA -1.137 43.977 45.100 0.023 0.000 1.050 305 G HN 0.445 nan 8.290 nan 0.000 0.519 306 P HA 0.360 nan 4.420 nan 0.000 0.277 306 P C -0.549 176.774 177.300 0.038 0.000 1.240 306 P CA 0.098 63.206 63.100 0.014 0.000 0.798 306 P CB 1.340 33.036 31.700 -0.005 0.000 0.979 307 M N -0.295 119.329 119.600 0.040 0.000 2.790 307 M HA 0.545 5.026 4.480 0.001 0.000 0.272 307 M C -2.044 174.285 176.300 0.049 0.000 1.168 307 M CA -1.023 54.330 55.300 0.088 0.000 0.829 307 M CB 1.615 34.323 32.600 0.181 0.000 1.675 307 M HN -0.075 nan 8.290 nan 0.000 0.505 308 V N 1.695 121.648 119.914 0.064 0.000 2.540 308 V HA 0.817 4.938 4.120 0.001 0.000 0.302 308 V C -0.891 175.233 176.094 0.051 0.000 1.035 308 V CA -0.640 61.673 62.300 0.022 0.000 0.873 308 V CB 1.981 33.800 31.823 -0.007 0.000 0.992 308 V HN 0.715 nan 8.190 nan 0.000 0.428 309 V N 5.841 125.741 119.914 -0.023 0.000 2.588 309 V HA 0.574 4.695 4.120 0.001 0.000 0.304 309 V C -0.926 175.099 176.094 -0.115 0.000 1.042 309 V CA -0.597 61.648 62.300 -0.092 0.000 0.877 309 V CB 1.897 33.532 31.823 -0.314 0.000 0.996 309 V HN 0.613 nan 8.190 nan 0.000 0.425 310 L N 4.158 125.333 121.223 -0.081 0.000 2.349 310 L HA 0.943 5.283 4.340 0.001 0.000 0.278 310 L C 0.055 176.888 176.870 -0.062 0.000 0.996 310 L CA 0.061 54.860 54.840 -0.068 0.000 0.825 310 L CB 1.696 43.739 42.059 -0.026 0.000 1.243 310 L HN 0.904 nan 8.230 nan 0.000 0.412 311 A N 1.888 124.670 122.820 -0.063 0.000 2.606 311 A HA 0.904 5.224 4.320 0.001 0.000 0.293 311 A C -0.487 177.083 177.584 -0.024 0.000 1.082 311 A CA -0.072 51.960 52.037 -0.008 0.000 0.685 311 A CB 1.289 20.327 19.000 0.064 0.000 1.284 311 A HN 0.704 nan 8.150 nan 0.000 0.408 312 G N -0.210 108.591 108.800 0.001 0.000 2.705 312 G HA2 0.552 4.513 3.960 0.001 0.000 0.299 312 G HA3 0.552 4.513 3.960 0.001 0.000 0.299 312 G C 0.003 174.912 174.900 0.016 0.000 1.315 312 G CA -0.208 44.875 45.100 -0.028 0.000 1.045 312 G HN 0.960 nan 8.290 nan 0.000 0.517 313 S N -1.212 114.496 115.700 0.014 0.000 2.573 313 S HA 0.284 4.755 4.470 0.001 0.000 0.277 313 S C 1.722 176.226 174.600 -0.161 0.000 1.346 313 S CA 0.233 58.423 58.200 -0.015 0.000 1.034 313 S CB 1.305 64.528 63.200 0.038 0.000 0.879 313 S HN 0.897 nan 8.310 nan 0.000 0.528 314 G N 0.752 109.297 108.800 -0.425 0.000 2.559 314 G HA2 -0.068 3.892 3.960 0.001 0.000 0.216 314 G HA3 -0.068 3.892 3.960 0.001 0.000 0.216 314 G C 0.572 175.113 174.900 -0.599 0.000 1.126 314 G CA 0.361 44.839 45.100 -1.036 0.000 0.778 314 G HN 0.624 nan 8.290 nan 0.000 0.543 315 M N 0.372 119.853 119.600 -0.198 0.000 2.785 315 M HA 0.358 4.839 4.480 0.001 0.000 0.374 315 M C 0.389 176.706 176.300 0.028 0.000 1.221 315 M CA -0.199 55.098 55.300 -0.006 0.000 0.912 315 M CB 0.555 33.225 32.600 0.118 0.000 1.355 315 M HN 0.024 nan 8.290 nan 0.000 0.513 316 L N -0.889 120.347 121.223 0.022 0.000 4.137 316 L HA -0.344 3.997 4.340 0.001 0.000 0.421 316 L C 1.602 178.492 176.870 0.033 0.000 1.162 316 L CA 0.472 55.336 54.840 0.041 0.000 0.978 316 L CB -2.070 40.037 42.059 0.081 0.000 1.957 316 L HN 0.549 nan 8.230 nan 0.000 0.978 317 A N -0.460 122.384 122.820 0.040 0.000 2.121 317 A HA 0.420 4.741 4.320 0.001 0.000 0.218 317 A C 1.355 178.962 177.584 0.040 0.000 1.154 317 A CA 1.753 53.817 52.037 0.045 0.000 0.679 317 A CB -0.064 18.976 19.000 0.067 0.000 0.795 317 A HN 0.970 nan 8.150 nan 0.000 0.458 318 G N -4.029 104.795 108.800 0.040 0.000 2.323 318 G HA2 0.558 4.519 3.960 0.001 0.000 0.291 318 G HA3 0.558 4.519 3.960 0.001 0.000 0.291 318 G C 0.215 175.150 174.900 0.060 0.000 1.278 318 G CA 0.204 45.329 45.100 0.042 0.000 0.860 318 G HN 2.011 nan 8.290 nan 0.000 0.504 319 G N -1.099 107.751 108.800 0.083 0.000 2.814 319 G HA2 -0.009 3.951 3.960 0.001 0.000 0.677 319 G HA3 -0.009 3.951 3.960 0.001 0.000 0.677 319 G C 0.901 175.899 174.900 0.162 0.000 1.429 319 G CA 0.677 45.841 45.100 0.107 0.000 0.868 319 G HN 1.240 nan 8.290 nan 0.000 0.553 320 R N -0.399 120.197 120.500 0.159 0.000 2.178 320 R HA -0.248 4.092 4.340 0.001 0.000 0.257 320 R C 2.623 179.071 176.300 0.247 0.000 1.163 320 R CA 1.980 58.190 56.100 0.183 0.000 0.981 320 R CB -0.386 29.991 30.300 0.129 0.000 0.878 320 R HN 0.613 nan 8.270 nan 0.000 0.454 321 I N 1.204 121.905 120.570 0.220 0.000 2.423 321 I HA -0.233 3.938 4.170 0.001 0.000 0.254 321 I C 1.805 178.008 176.117 0.143 0.000 1.151 321 I CA 1.389 62.819 61.300 0.215 0.000 1.421 321 I CB -0.059 37.987 38.000 0.077 0.000 1.079 321 I HN 0.136 nan 8.210 nan 0.000 0.431 322 L N -0.658 120.610 121.223 0.074 0.000 2.056 322 L HA -0.214 4.127 4.340 0.001 0.000 0.207 322 L C 2.556 179.367 176.870 -0.098 0.000 1.078 322 L CA 1.208 56.023 54.840 -0.042 0.000 0.749 322 L CB -1.126 40.858 42.059 -0.126 0.000 0.901 322 L HN 0.349 nan 8.230 nan 0.000 0.433 323 H N -1.065 117.978 119.070 -0.045 0.000 2.421 323 H HA -0.120 4.437 4.556 0.001 0.000 0.298 323 H C 2.203 177.495 175.328 -0.060 0.000 1.087 323 H CA 1.283 57.291 56.048 -0.066 0.000 1.330 323 H CB -0.023 29.655 29.762 -0.141 0.000 1.388 323 H HN 0.477 nan 8.280 nan 0.000 0.526 324 H N -0.090 119.071 119.070 0.152 0.000 2.395 324 H HA -0.068 4.488 4.556 0.001 0.000 0.299 324 H C 2.335 177.694 175.328 0.051 0.000 1.070 324 H CA 0.401 56.502 56.048 0.090 0.000 1.356 324 H CB 0.052 29.835 29.762 0.034 0.000 1.401 324 H HN 0.167 nan 8.280 nan 0.000 0.524 325 L N 1.387 122.683 121.223 0.121 0.000 2.056 325 L HA -0.125 4.216 4.340 0.001 0.000 0.207 325 L C 2.557 179.414 176.870 -0.021 0.000 1.078 325 L CA 1.520 56.381 54.840 0.035 0.000 0.749 325 L CB -0.642 41.422 42.059 0.008 0.000 0.901 325 L HN 0.114 nan 8.230 nan 0.000 0.433 326 K N -1.646 118.702 120.400 -0.086 0.000 2.152 326 K HA -0.192 4.129 4.320 0.001 0.000 0.206 326 K C 1.720 178.121 176.600 -0.331 0.000 1.048 326 K CA 1.451 57.596 56.287 -0.237 0.000 0.933 326 K CB -0.026 32.260 32.500 -0.357 0.000 0.721 326 K HN 0.471 nan 8.250 nan 0.000 0.447 327 H N -2.484 116.586 119.070 0.000 0.000 2.740 327 H HA 0.156 4.713 4.556 0.001 0.000 0.265 327 H C 1.540 176.877 175.328 0.015 0.000 0.978 327 H CA 0.831 56.882 56.048 0.006 0.000 1.198 327 H CB 1.222 30.986 29.762 0.003 0.000 1.467 327 H HN 0.396 nan 8.280 nan 0.000 0.511 328 G N 0.207 109.074 108.800 0.112 0.000 2.784 328 G HA2 -0.034 3.926 3.960 0.001 0.000 0.208 328 G HA3 -0.034 3.926 3.960 0.001 0.000 0.208 328 G C 1.420 176.342 174.900 0.038 0.000 1.120 328 G CA -0.125 45.021 45.100 0.078 0.000 0.774 328 G HN 0.090 nan 8.290 nan 0.000 0.528 329 L N 2.405 123.639 121.223 0.019 0.000 2.362 329 L HA 0.039 4.380 4.340 0.001 0.000 0.219 329 L C 2.697 179.568 176.870 0.002 0.000 1.134 329 L CA 1.720 56.562 54.840 0.003 0.000 0.807 329 L CB -0.175 41.879 42.059 -0.008 0.000 0.927 329 L HN 0.323 nan 8.230 nan 0.000 0.447 330 S N -2.854 112.849 115.700 0.004 0.000 2.593 330 S HA 0.054 4.525 4.470 0.001 0.000 0.217 330 S C 0.626 175.233 174.600 0.012 0.000 0.966 330 S CA -0.344 57.858 58.200 0.004 0.000 0.914 330 S CB -0.189 63.010 63.200 -0.001 0.000 0.776 330 S HN 0.355 nan 8.310 nan 0.000 0.523 331 D N 2.351 122.761 120.400 0.017 0.000 2.344 331 D HA 0.312 4.953 4.640 0.001 0.000 0.239 331 D C -1.830 174.480 176.300 0.016 0.000 1.064 331 D CA -2.362 51.649 54.000 0.018 0.000 0.829 331 D CB 2.198 43.013 40.800 0.023 0.000 1.129 331 D HN -0.040 nan 8.370 nan 0.000 0.506 332 P HA -0.085 nan 4.420 nan 0.000 0.228 332 P C 0.893 178.204 177.300 0.019 0.000 1.151 332 P CA 0.526 63.634 63.100 0.013 0.000 0.770 332 P CB 0.491 32.198 31.700 0.011 0.000 0.786 333 R N -1.192 119.319 120.500 0.018 0.000 2.240 333 R HA 0.079 4.420 4.340 0.001 0.000 0.203 333 R C 0.968 177.281 176.300 0.022 0.000 1.011 333 R CA 0.161 56.272 56.100 0.019 0.000 1.007 333 R CB -0.166 30.142 30.300 0.014 0.000 0.911 333 R HN 0.288 nan 8.270 nan 0.000 0.468 334 N N 0.524 119.239 118.700 0.024 0.000 2.366 334 N HA 0.375 5.116 4.740 0.001 0.000 0.277 334 N C -0.663 174.874 175.510 0.044 0.000 1.275 334 N CA 0.023 53.088 53.050 0.026 0.000 0.964 334 N CB 0.900 39.401 38.487 0.022 0.000 1.167 334 N HN 0.035 nan 8.380 nan 0.000 0.568 335 A N 0.110 122.959 122.820 0.047 0.000 2.488 335 A HA 0.440 4.761 4.320 0.001 0.000 0.295 335 A C -1.340 176.278 177.584 0.056 0.000 1.045 335 A CA -0.604 51.493 52.037 0.101 0.000 0.703 335 A CB 0.889 19.992 19.000 0.172 0.000 1.271 335 A HN 0.535 nan 8.150 nan 0.000 0.400 336 L N 3.115 124.359 121.223 0.034 0.000 2.282 336 L HA 0.703 5.044 4.340 0.001 0.000 0.288 336 L C -1.251 175.576 176.870 -0.071 0.000 1.033 336 L CA -0.711 54.063 54.840 -0.111 0.000 0.807 336 L CB 1.398 43.347 42.059 -0.184 0.000 1.209 336 L HN 0.494 nan 8.230 nan 0.000 0.423 337 V N 5.404 125.224 119.914 -0.157 0.000 2.376 337 V HA 0.325 4.446 4.120 0.001 0.000 0.287 337 V C -0.374 175.607 176.094 -0.188 0.000 1.015 337 V CA -0.497 61.781 62.300 -0.037 0.000 0.834 337 V CB 1.299 33.166 31.823 0.074 0.000 1.001 337 V HN 0.450 nan 8.190 nan 0.000 0.428 338 F N 4.035 124.037 119.950 0.088 0.000 2.412 338 F HA 0.425 4.952 4.527 0.001 0.000 0.348 338 F C 0.965 176.816 175.800 0.086 0.000 1.102 338 F CA -0.187 57.853 58.000 0.067 0.000 1.196 338 F CB 1.761 40.825 39.000 0.108 0.000 1.144 338 F HN 0.387 nan 8.300 nan 0.000 0.541 339 V N -0.144 119.898 119.914 0.214 0.000 3.337 339 V HA 0.632 4.753 4.120 0.001 0.000 0.307 339 V C 0.318 176.606 176.094 0.322 0.000 1.505 339 V CA 0.252 62.637 62.300 0.142 0.000 1.072 339 V CB 0.051 31.667 31.823 -0.345 0.000 0.929 339 V HN 0.752 nan 8.190 nan 0.000 0.455 340 G N -0.762 108.199 108.800 0.268 0.000 2.818 340 G HA2 0.554 4.515 3.960 0.001 0.000 0.286 340 G HA3 0.554 4.515 3.960 0.001 0.000 0.286 340 G C -1.997 172.755 174.900 -0.247 0.000 1.364 340 G CA -1.107 44.061 45.100 0.113 0.000 0.938 340 G HN 0.231 nan 8.290 nan 0.000 0.490 341 Y N 0.852 120.889 120.300 -0.438 0.000 2.313 341 Y HA 0.472 5.023 4.550 0.001 0.000 0.332 341 Y C -0.097 175.748 175.900 -0.091 0.000 1.071 341 Y CA -0.535 57.322 58.100 -0.405 0.000 1.169 341 Y CB 1.233 39.546 38.460 -0.244 0.000 1.192 341 Y HN 0.197 nan 8.280 nan 0.000 0.487 342 Q N 8.688 128.027 119.800 -0.769 0.000 2.340 342 Q HA 0.317 4.657 4.340 0.001 0.000 0.259 342 Q C -2.331 173.193 176.000 -0.794 0.000 0.964 342 Q CA -2.205 53.242 55.803 -0.592 0.000 0.900 342 Q CB 1.202 29.589 28.738 -0.585 0.000 1.228 342 Q HN 0.587 nan 8.270 nan 0.000 0.449 343 P HA -0.013 nan 4.420 nan 0.000 0.272 343 P C -0.204 177.006 177.300 -0.149 0.000 1.254 343 P CA -0.335 62.682 63.100 -0.137 0.000 0.795 343 P CB 0.828 32.549 31.700 0.036 0.000 1.022 344 Q N -0.465 119.308 119.800 -0.045 0.000 2.340 344 Q HA 0.344 4.685 4.340 0.001 0.000 0.249 344 Q C 1.269 177.249 176.000 -0.034 0.000 0.957 344 Q CA 0.983 56.760 55.803 -0.042 0.000 0.882 344 Q CB 0.110 28.848 28.738 0.000 0.000 1.235 344 Q HN 0.872 nan 8.270 nan 0.000 0.439 345 G N 1.569 110.345 108.800 -0.039 0.000 2.176 345 G HA2 -0.201 3.760 3.960 0.001 0.000 0.252 345 G HA3 -0.201 3.760 3.960 0.001 0.000 0.252 345 G C 0.362 175.245 174.900 -0.029 0.000 1.024 345 G CA 0.228 45.311 45.100 -0.028 0.000 0.755 345 G HN 0.819 nan 8.290 nan 0.000 0.507 346 G N -1.871 106.900 108.800 -0.047 0.000 2.644 346 G HA2 0.676 4.637 3.960 0.001 0.000 0.307 346 G HA3 0.676 4.637 3.960 0.001 0.000 0.307 346 G C 0.912 175.789 174.900 -0.039 0.000 1.250 346 G CA -0.076 45.001 45.100 -0.039 0.000 0.996 346 G HN 0.804 nan 8.290 nan 0.000 0.489 347 L N 1.019 122.231 121.223 -0.018 0.000 2.079 347 L HA 0.049 4.390 4.340 0.001 0.000 0.210 347 L C 2.607 179.479 176.870 0.003 0.000 1.081 347 L CA 2.939 57.779 54.840 -0.001 0.000 0.752 347 L CB -0.969 41.099 42.059 0.016 0.000 0.896 347 L HN 0.620 nan 8.230 nan 0.000 0.433 348 G N -0.956 107.827 108.800 -0.028 0.000 2.459 348 G HA2 -0.287 3.673 3.960 0.001 0.000 0.217 348 G HA3 -0.287 3.673 3.960 0.001 0.000 0.217 348 G C 1.615 176.387 174.900 -0.213 0.000 1.183 348 G CA 1.055 46.078 45.100 -0.128 0.000 0.776 348 G HN 0.656 nan 8.290 nan 0.000 0.552 349 A N 0.568 123.269 122.820 -0.198 0.000 1.902 349 A HA -0.057 4.264 4.320 0.001 0.000 0.217 349 A C 2.170 179.705 177.584 -0.082 0.000 1.181 349 A CA 2.095 54.037 52.037 -0.158 0.000 0.623 349 A CB -0.508 18.413 19.000 -0.131 0.000 0.818 349 A HN 0.514 nan 8.150 nan 0.000 0.443 350 E N -0.244 119.924 120.200 -0.053 0.000 2.085 350 E HA -0.187 4.163 4.350 0.001 0.000 0.194 350 E C 1.859 178.455 176.600 -0.006 0.000 0.994 350 E CA 1.403 57.789 56.400 -0.024 0.000 0.801 350 E CB -0.219 29.472 29.700 -0.016 0.000 0.743 350 E HN 0.675 nan 8.360 nan 0.000 0.453 351 I N 0.822 121.401 120.570 0.016 0.000 2.252 351 I HA -0.254 3.916 4.170 0.001 0.000 0.245 351 I C 2.320 178.467 176.117 0.050 0.000 1.102 351 I CA 0.818 62.151 61.300 0.056 0.000 1.385 351 I CB -0.131 37.955 38.000 0.143 0.000 1.064 351 I HN 0.205 nan 8.210 nan 0.000 0.414 352 I N 0.811 121.391 120.570 0.018 0.000 2.454 352 I HA -0.273 3.898 4.170 0.001 0.000 0.254 352 I C 2.645 178.762 176.117 -0.001 0.000 1.156 352 I CA 1.103 62.406 61.300 0.004 0.000 1.433 352 I CB -0.435 37.518 38.000 -0.078 0.000 1.082 352 I HN 0.197 nan 8.210 nan 0.000 0.432 353 A N 0.279 123.094 122.820 -0.009 0.000 2.066 353 A HA -0.137 4.184 4.320 0.001 0.000 0.218 353 A C 1.548 179.132 177.584 0.001 0.000 1.157 353 A CA 0.712 52.746 52.037 -0.006 0.000 0.670 353 A CB -0.198 18.796 19.000 -0.010 0.000 0.804 353 A HN 0.452 nan 8.150 nan 0.000 0.453 354 R N -1.628 118.875 120.500 0.005 0.000 3.407 354 R HA -0.092 4.248 4.340 0.001 0.000 0.277 354 R C -2.314 173.986 176.300 0.001 0.000 1.119 354 R CA 0.666 56.769 56.100 0.004 0.000 0.750 354 R CB -2.565 27.735 30.300 0.002 0.000 1.258 354 R HN 0.512 nan 8.270 nan 0.000 0.432 355 P HA 0.121 nan 4.420 nan 0.000 0.274 355 P C -1.802 175.496 177.300 -0.002 0.000 1.264 355 P CA -0.787 62.312 63.100 -0.002 0.000 0.795 355 P CB 0.405 32.103 31.700 -0.003 0.000 1.064 356 P HA 0.066 nan 4.420 nan 0.000 0.225 356 P C 0.146 177.442 177.300 -0.006 0.000 1.156 356 P CA 1.051 64.149 63.100 -0.004 0.000 0.787 356 P CB 0.287 31.985 31.700 -0.004 0.000 0.802 357 A N -1.048 121.768 122.820 -0.007 0.000 2.594 357 A HA 0.596 4.917 4.320 0.001 0.000 0.295 357 A C -1.249 176.328 177.584 -0.012 0.000 1.071 357 A CA -0.470 51.561 52.037 -0.011 0.000 0.685 357 A CB 1.656 20.648 19.000 -0.013 0.000 1.285 357 A HN -0.148 nan 8.150 nan 0.000 0.405 358 V N 0.595 120.500 119.914 -0.016 0.000 2.960 358 V HA 0.684 4.805 4.120 0.001 0.000 0.315 358 V C -0.003 176.073 176.094 -0.029 0.000 1.087 358 V CA -0.748 61.542 62.300 -0.017 0.000 0.982 358 V CB 2.081 33.898 31.823 -0.011 0.000 1.039 358 V HN 0.946 nan 8.190 nan 0.000 0.437 359 R N 2.431 122.913 120.500 -0.029 0.000 2.310 359 R HA 0.752 5.092 4.340 0.001 0.000 0.324 359 R C -1.445 174.825 176.300 -0.049 0.000 0.955 359 R CA -0.210 55.867 56.100 -0.039 0.000 0.830 359 R CB 0.790 31.071 30.300 -0.032 0.000 1.154 359 R HN 0.702 nan 8.270 nan 0.000 0.458 360 I N 5.722 126.249 120.570 -0.072 0.000 2.533 360 I HA 0.232 4.403 4.170 0.001 0.000 0.290 360 I C -0.114 175.931 176.117 -0.121 0.000 1.056 360 I CA -1.017 60.227 61.300 -0.094 0.000 1.057 360 I CB 2.025 39.960 38.000 -0.108 0.000 1.240 360 I HN 0.647 nan 8.210 nan 0.000 0.423 361 L N 6.366 127.515 121.223 -0.123 0.000 3.795 361 L HA -0.241 4.100 4.340 0.001 0.000 0.489 361 L C 1.124 177.943 176.870 -0.085 0.000 1.259 361 L CA 0.763 55.526 54.840 -0.127 0.000 0.765 361 L CB -1.678 40.250 42.059 -0.218 0.000 1.519 361 L HN 1.177 nan 8.230 nan 0.000 0.842 362 G N -0.126 108.637 108.800 -0.060 0.000 2.341 362 G HA2 -0.244 3.717 3.960 0.001 0.000 0.292 362 G HA3 -0.244 3.717 3.960 0.001 0.000 0.292 362 G C 0.011 174.884 174.900 -0.045 0.000 1.021 362 G CA 0.950 46.024 45.100 -0.043 0.000 0.905 362 G HN 0.628 nan 8.290 nan 0.000 0.508 363 E N -0.601 119.563 120.200 -0.059 0.000 2.321 363 E HA 0.466 4.817 4.350 0.001 0.000 0.278 363 E C -0.680 175.883 176.600 -0.061 0.000 0.902 363 E CA -0.759 55.605 56.400 -0.061 0.000 0.758 363 E CB 0.953 30.601 29.700 -0.086 0.000 1.213 363 E HN 0.105 nan 8.360 nan 0.000 0.426 364 E N 1.864 122.036 120.200 -0.047 0.000 2.223 364 E HA 0.247 4.597 4.350 0.001 0.000 0.282 364 E C -0.735 175.837 176.600 -0.048 0.000 1.046 364 E CA -0.274 56.102 56.400 -0.041 0.000 0.857 364 E CB 1.318 31.002 29.700 -0.028 0.000 1.055 364 E HN 0.186 nan 8.360 nan 0.000 0.409 365 V N 6.556 126.440 119.914 -0.050 0.000 2.334 365 V HA 0.223 4.344 4.120 0.001 0.000 0.281 365 V C -2.175 173.899 176.094 -0.032 0.000 1.016 365 V CA -2.135 60.133 62.300 -0.053 0.000 0.832 365 V CB 1.426 33.206 31.823 -0.072 0.000 0.999 365 V HN 0.456 nan 8.190 nan 0.000 0.439 366 P HA 0.089 nan 4.420 nan 0.000 0.266 366 P C -0.682 176.611 177.300 -0.012 0.000 1.195 366 P CA -0.226 62.865 63.100 -0.015 0.000 0.768 366 P CB 0.532 32.226 31.700 -0.010 0.000 0.838 367 L N 4.361 125.580 121.223 -0.008 0.000 2.297 367 L HA 0.325 4.665 4.340 0.001 0.000 0.277 367 L C 0.739 177.607 176.870 -0.003 0.000 1.040 367 L CA 0.349 55.187 54.840 -0.004 0.000 0.867 367 L CB 0.120 42.179 42.059 -0.001 0.000 1.244 367 L HN 0.271 nan 8.230 nan 0.000 0.433 368 R N 3.104 123.603 120.500 -0.002 0.000 2.225 368 R HA 0.468 4.809 4.340 0.001 0.000 0.194 368 R C 0.736 177.036 176.300 -0.001 0.000 0.949 368 R CA 0.224 56.324 56.100 -0.000 0.000 1.088 368 R CB 0.077 30.378 30.300 0.003 0.000 1.106 368 R HN 0.633 nan 8.270 nan 0.000 0.566 369 A N 2.134 124.955 122.820 0.002 0.000 2.555 369 A HA 0.121 4.442 4.320 0.001 0.000 0.233 369 A C 0.423 177.999 177.584 -0.013 0.000 1.060 369 A CA 0.032 52.072 52.037 0.004 0.000 0.759 369 A CB 0.135 19.139 19.000 0.007 0.000 0.995 369 A HN 0.385 nan 8.150 nan 0.000 0.506 370 S N 0.825 116.518 115.700 -0.013 0.000 2.565 370 S HA 0.494 4.965 4.470 0.001 0.000 0.276 370 S C -0.212 174.280 174.600 -0.181 0.000 1.326 370 S CA -0.685 57.453 58.200 -0.102 0.000 1.045 370 S CB 1.007 64.170 63.200 -0.061 0.000 0.918 370 S HN 0.777 nan 8.310 nan 0.000 0.505 371 V N 4.290 124.032 119.914 -0.287 0.000 2.459 371 V HA 0.491 4.612 4.120 0.001 0.000 0.295 371 V C -0.248 175.637 176.094 -0.348 0.000 1.029 371 V CA -0.613 61.585 62.300 -0.169 0.000 0.874 371 V CB 1.171 33.008 31.823 0.024 0.000 0.985 371 V HN 0.945 nan 8.190 nan 0.000 0.438 372 H N 1.796 120.954 119.070 0.147 0.000 2.821 372 H HA 0.560 5.117 4.556 0.001 0.000 0.373 372 H C -0.977 174.513 175.328 0.270 0.000 1.165 372 H CA -0.604 55.544 56.048 0.167 0.000 1.154 372 H CB 2.571 32.409 29.762 0.127 0.000 1.765 372 H HN 0.508 nan 8.280 nan 0.000 0.549 373 T N 3.197 117.967 114.554 0.361 0.000 2.892 373 T HA 0.279 4.630 4.350 0.001 0.000 0.311 373 T C 0.409 175.264 174.700 0.259 0.000 1.033 373 T CA -0.640 61.669 62.100 0.349 0.000 0.991 373 T CB 0.266 69.288 68.868 0.257 0.000 0.981 373 T HN 0.277 nan 8.240 nan 0.000 0.457 374 L N 3.088 124.476 121.223 0.276 0.000 2.556 374 L HA 0.351 4.692 4.340 0.001 0.000 0.245 374 L C 1.842 178.784 176.870 0.120 0.000 1.174 374 L CA -0.624 54.339 54.840 0.205 0.000 1.117 374 L CB 0.230 42.466 42.059 0.295 0.000 1.409 374 L HN 0.849 nan 8.230 nan 0.000 0.411 375 G N 0.910 109.603 108.800 -0.178 0.000 2.527 375 G HA2 -0.210 3.751 3.960 0.001 0.000 0.219 375 G HA3 -0.210 3.751 3.960 0.001 0.000 0.219 375 G C 1.421 175.897 174.900 -0.707 0.000 1.117 375 G CA 0.772 45.272 45.100 -0.999 0.000 0.759 375 G HN 0.701 nan 8.290 nan 0.000 0.556 376 G N 0.448 109.072 108.800 -0.293 0.000 2.450 376 G HA2 -0.144 3.817 3.960 0.001 0.000 0.220 376 G HA3 -0.144 3.817 3.960 0.001 0.000 0.220 376 G C 1.231 175.952 174.900 -0.299 0.000 1.130 376 G CA 0.311 45.224 45.100 -0.310 0.000 0.760 376 G HN 0.422 nan 8.290 nan 0.000 0.557 377 F N 0.142 120.032 119.950 -0.100 0.000 2.804 377 F HA 0.314 4.841 4.527 0.001 0.000 0.303 377 F C 0.670 176.601 175.800 0.219 0.000 1.154 377 F CA -0.803 57.228 58.000 0.052 0.000 1.401 377 F CB -0.259 38.759 39.000 0.029 0.000 1.106 377 F HN 0.068 nan 8.300 nan 0.000 0.568 378 Y N -0.038 120.240 120.300 -0.037 0.000 2.511 378 Y HA 0.099 4.649 4.550 0.001 0.000 0.332 378 Y C 1.623 177.395 175.900 -0.213 0.000 1.177 378 Y CA -0.573 57.456 58.100 -0.119 0.000 1.422 378 Y CB 0.808 39.068 38.460 -0.333 0.000 1.271 378 Y HN 0.062 nan 8.280 nan 0.000 0.550 379 G N 2.761 111.673 108.800 0.188 0.000 2.985 379 G HA2 -0.016 3.945 3.960 0.001 0.000 0.209 379 G HA3 -0.016 3.945 3.960 0.001 0.000 0.209 379 G C 0.210 175.198 174.900 0.146 0.000 1.165 379 G CA 0.003 45.183 45.100 0.133 0.000 0.776 379 G HN 0.613 nan 8.290 nan 0.000 0.541 380 H N -0.612 118.574 119.070 0.194 0.000 2.676 380 H HA 0.546 5.103 4.556 0.001 0.000 0.352 380 H C 0.009 175.421 175.328 0.140 0.000 1.193 380 H CA -0.571 55.579 56.048 0.171 0.000 1.243 380 H CB 1.874 31.806 29.762 0.283 0.000 1.751 380 H HN 0.119 nan 8.280 nan 0.000 0.567 381 A N 1.052 123.966 122.820 0.157 0.000 2.520 381 A HA 0.320 4.641 4.320 0.001 0.000 0.245 381 A C 0.957 178.538 177.584 -0.005 0.000 1.072 381 A CA 0.405 52.478 52.037 0.059 0.000 0.761 381 A CB -0.274 18.695 19.000 -0.052 0.000 1.004 381 A HN 0.747 nan 8.150 nan 0.000 0.499 382 G N 0.117 108.838 108.800 -0.132 0.000 2.651 382 G HA2 0.304 4.265 3.960 0.001 0.000 0.260 382 G HA3 0.304 4.265 3.960 0.001 0.000 0.260 382 G C 0.729 175.558 174.900 -0.117 0.000 1.216 382 G CA 0.345 45.215 45.100 -0.383 0.000 0.913 382 G HN 0.959 nan 8.290 nan 0.000 0.535 383 Q N -0.478 119.272 119.800 -0.084 0.000 2.061 383 Q HA -0.212 4.129 4.340 0.001 0.000 0.204 383 Q C 2.010 178.009 176.000 -0.003 0.000 0.984 383 Q CA 2.379 58.173 55.803 -0.015 0.000 0.846 383 Q CB -0.226 28.510 28.738 -0.002 0.000 0.902 383 Q HN 0.704 nan 8.270 nan 0.000 0.421 384 D N -0.072 120.321 120.400 -0.011 0.000 2.178 384 D HA -0.218 4.423 4.640 0.001 0.000 0.201 384 D C 1.295 177.609 176.300 0.023 0.000 0.980 384 D CA 1.652 55.657 54.000 0.008 0.000 0.842 384 D CB -0.446 40.357 40.800 0.006 0.000 0.948 384 D HN 0.535 nan 8.370 nan 0.000 0.472 385 E N -0.493 119.717 120.200 0.016 0.000 2.158 385 E HA -0.033 4.317 4.350 0.001 0.000 0.191 385 E C 1.975 178.614 176.600 0.065 0.000 0.982 385 E CA 0.048 56.471 56.400 0.039 0.000 0.823 385 E CB 0.116 29.830 29.700 0.023 0.000 0.766 385 E HN 0.151 nan 8.360 nan 0.000 0.468 386 L N 0.617 121.865 121.223 0.043 0.000 2.056 386 L HA -0.119 4.221 4.340 0.001 0.000 0.207 386 L C 2.232 179.174 176.870 0.119 0.000 1.078 386 L CA 1.399 56.280 54.840 0.069 0.000 0.749 386 L CB -1.035 41.047 42.059 0.039 0.000 0.901 386 L HN 0.218 nan 8.230 nan 0.000 0.433 387 L N -0.562 120.706 121.223 0.076 0.000 2.012 387 L HA -0.254 4.087 4.340 0.001 0.000 0.210 387 L C 2.284 179.196 176.870 0.071 0.000 1.073 387 L CA 1.269 56.147 54.840 0.064 0.000 0.748 387 L CB -0.552 41.530 42.059 0.038 0.000 0.891 387 L HN 0.256 nan 8.230 nan 0.000 0.431 388 D N -1.079 119.369 120.400 0.080 0.000 2.144 388 D HA -0.230 4.411 4.640 0.001 0.000 0.199 388 D C 1.772 178.132 176.300 0.100 0.000 0.984 388 D CA 1.100 55.143 54.000 0.072 0.000 0.834 388 D CB -0.214 40.629 40.800 0.072 0.000 0.955 388 D HN 0.402 nan 8.370 nan 0.000 0.465 389 W N 0.538 121.807 121.300 -0.051 0.000 2.436 389 W HA -0.070 4.591 4.660 0.001 0.000 0.284 389 W C 1.485 177.948 176.519 -0.092 0.000 1.225 389 W CA 0.513 57.810 57.345 -0.080 0.000 1.271 389 W CB 0.034 29.437 29.460 -0.096 0.000 1.114 389 W HN -0.115 nan 8.180 nan 0.000 0.559 390 L N 0.813 122.115 121.223 0.132 0.000 2.558 390 L HA 0.072 4.413 4.340 0.001 0.000 0.225 390 L C 1.360 178.191 176.870 -0.065 0.000 1.128 390 L CA 0.864 55.711 54.840 0.012 0.000 0.868 390 L CB -1.708 40.415 42.059 0.107 0.000 1.006 390 L HN -0.061 nan 8.230 nan 0.000 0.454 391 Q N 0.468 120.236 119.800 -0.054 0.000 2.304 391 Q HA 0.045 4.386 4.340 0.001 0.000 0.315 391 Q C 1.212 177.159 176.000 -0.087 0.000 1.075 391 Q CA 1.354 57.124 55.803 -0.055 0.000 0.988 391 Q CB 0.328 29.040 28.738 -0.043 0.000 1.146 391 Q HN 0.571 nan 8.270 nan 0.000 0.383 392 G N 3.694 112.456 108.800 -0.062 0.000 2.184 392 G HA2 -0.222 3.739 3.960 0.001 0.000 0.264 392 G HA3 -0.222 3.739 3.960 0.001 0.000 0.264 392 G C -0.184 174.672 174.900 -0.072 0.000 0.975 392 G CA 0.353 45.414 45.100 -0.065 0.000 0.642 392 G HN 0.617 nan 8.290 nan 0.000 0.536 393 E N 1.056 121.207 120.200 -0.082 0.000 2.229 393 E HA 0.238 4.589 4.350 0.001 0.000 0.283 393 E C -0.984 175.588 176.600 -0.046 0.000 1.030 393 E CA -1.308 55.045 56.400 -0.079 0.000 0.836 393 E CB 1.840 31.478 29.700 -0.103 0.000 1.068 393 E HN 0.264 nan 8.360 nan 0.000 0.401 394 P HA -0.141 nan 4.420 nan 0.000 0.215 394 P C -0.132 177.157 177.300 -0.018 0.000 1.153 394 P CA 1.202 64.287 63.100 -0.026 0.000 0.853 394 P CB 0.547 32.232 31.700 -0.024 0.000 0.788 395 R N -0.307 120.183 120.500 -0.018 0.000 2.483 395 R HA 0.541 4.882 4.340 0.001 0.000 0.303 395 R C -1.264 175.034 176.300 -0.004 0.000 0.987 395 R CA -0.678 55.416 56.100 -0.010 0.000 0.881 395 R CB 2.589 32.882 30.300 -0.011 0.000 1.177 395 R HN -0.183 nan 8.270 nan 0.000 0.451 396 V N 3.790 123.707 119.914 0.004 0.000 2.384 396 V HA 0.326 4.446 4.120 0.001 0.000 0.287 396 V C -0.200 175.903 176.094 0.014 0.000 1.020 396 V CA -0.844 61.466 62.300 0.018 0.000 0.850 396 V CB 1.957 33.798 31.823 0.030 0.000 0.987 396 V HN 0.463 nan 8.190 nan 0.000 0.436 397 V N 6.595 126.516 119.914 0.011 0.000 2.294 397 V HA 0.340 4.461 4.120 0.001 0.000 0.272 397 V C -0.041 176.059 176.094 0.009 0.000 1.027 397 V CA -0.511 61.788 62.300 -0.001 0.000 0.823 397 V CB 1.135 32.941 31.823 -0.027 0.000 1.030 397 V HN 0.584 nan 8.190 nan 0.000 0.457 398 L N 6.399 127.635 121.223 0.022 0.000 2.461 398 L HA 0.520 4.861 4.340 0.001 0.000 0.272 398 L C 0.350 177.249 176.870 0.048 0.000 1.197 398 L CA 0.814 55.677 54.840 0.039 0.000 0.836 398 L CB 1.189 43.271 42.059 0.039 0.000 1.105 398 L HN 0.617 nan 8.230 nan 0.000 0.477 399 V N -1.359 118.606 119.914 0.085 0.000 3.096 399 V HA 0.488 4.609 4.120 0.001 0.000 0.310 399 V C 0.004 176.225 176.094 0.213 0.000 1.438 399 V CA -0.997 61.383 62.300 0.135 0.000 1.042 399 V CB 1.181 33.091 31.823 0.146 0.000 1.069 399 V HN 0.822 nan 8.190 nan 0.000 0.470 400 H N 0.455 119.592 119.070 0.111 0.000 2.499 400 H HA -0.033 4.524 4.556 0.001 0.000 0.321 400 H C -0.161 175.170 175.328 0.004 0.000 1.026 400 H CA 1.619 57.718 56.048 0.084 0.000 1.077 400 H CB -1.010 28.838 29.762 0.144 0.000 1.612 400 H HN 2.067 nan 8.280 nan 0.000 0.374 401 G N 1.836 110.651 108.800 0.024 0.000 2.368 401 G HA2 0.314 4.275 3.960 0.001 0.000 0.293 401 G HA3 0.314 4.275 3.960 0.001 0.000 0.293 401 G C -1.317 173.558 174.900 -0.041 0.000 1.467 401 G CA -0.682 44.401 45.100 -0.028 0.000 0.804 401 G HN 0.250 nan 8.290 nan 0.000 0.535 402 E N 0.346 120.507 120.200 -0.066 0.000 2.289 402 E HA 0.172 4.523 4.350 0.001 0.000 0.278 402 E C 0.865 177.453 176.600 -0.020 0.000 1.032 402 E CA -0.289 56.086 56.400 -0.041 0.000 0.854 402 E CB 2.409 32.079 29.700 -0.050 0.000 1.046 402 E HN 0.658 nan 8.360 nan 0.000 0.409 403 E N 3.188 123.385 120.200 -0.005 0.000 2.095 403 E HA -0.365 3.986 4.350 0.001 0.000 0.212 403 E C 1.671 178.271 176.600 0.000 0.000 1.044 403 E CA 2.365 58.767 56.400 0.003 0.000 0.857 403 E CB 0.086 29.790 29.700 0.006 0.000 0.764 403 E HN 0.689 nan 8.360 nan 0.000 0.462 404 E N 0.342 120.540 120.200 -0.002 0.000 2.097 404 E HA -0.260 4.090 4.350 0.001 0.000 0.196 404 E C 2.050 178.647 176.600 -0.004 0.000 1.000 404 E CA 1.479 57.879 56.400 -0.000 0.000 0.804 404 E CB -0.207 29.494 29.700 0.002 0.000 0.740 404 E HN 0.153 nan 8.360 nan 0.000 0.454 405 K N 0.102 120.492 120.400 -0.017 0.000 2.025 405 K HA -0.081 4.239 4.320 0.001 0.000 0.207 405 K C 2.043 178.636 176.600 -0.011 0.000 1.049 405 K CA 1.146 57.418 56.287 -0.026 0.000 0.933 405 K CB -0.070 32.388 32.500 -0.069 0.000 0.714 405 K HN 0.033 nan 8.250 nan 0.000 0.438 406 L N 0.570 121.790 121.223 -0.004 0.000 2.131 406 L HA -0.179 4.162 4.340 0.001 0.000 0.210 406 L C 1.969 178.846 176.870 0.012 0.000 1.092 406 L CA 1.284 56.130 54.840 0.010 0.000 0.759 406 L CB -0.573 41.498 42.059 0.019 0.000 0.903 406 L HN 0.112 nan 8.230 nan 0.000 0.435 407 L N -0.616 120.613 121.223 0.009 0.000 2.093 407 L HA -0.061 4.280 4.340 0.001 0.000 0.208 407 L C 2.619 179.495 176.870 0.010 0.000 1.085 407 L CA 1.794 56.640 54.840 0.010 0.000 0.755 407 L CB -1.577 40.487 42.059 0.008 0.000 0.904 407 L HN 0.238 nan 8.230 nan 0.000 0.435 408 A N -0.885 121.940 122.820 0.009 0.000 1.902 408 A HA -0.188 4.132 4.320 0.001 0.000 0.217 408 A C 2.305 179.897 177.584 0.013 0.000 1.181 408 A CA 1.610 53.653 52.037 0.011 0.000 0.623 408 A CB -0.708 18.298 19.000 0.011 0.000 0.818 408 A HN 0.361 nan 8.150 nan 0.000 0.443 409 L N -0.536 120.696 121.223 0.015 0.000 2.027 409 L HA -0.080 4.260 4.340 0.001 0.000 0.206 409 L C 2.514 179.396 176.870 0.019 0.000 1.074 409 L CA 2.039 56.891 54.840 0.019 0.000 0.745 409 L CB -1.276 40.797 42.059 0.023 0.000 0.898 409 L HN 0.434 nan 8.230 nan 0.000 0.433 410 G N 0.063 108.873 108.800 0.018 0.000 2.469 410 G HA2 -0.360 3.601 3.960 0.001 0.000 0.219 410 G HA3 -0.360 3.601 3.960 0.001 0.000 0.219 410 G C 1.680 176.588 174.900 0.013 0.000 1.150 410 G CA 1.062 46.171 45.100 0.016 0.000 0.763 410 G HN 0.393 nan 8.290 nan 0.000 0.561 411 K N 0.081 120.488 120.400 0.012 0.000 2.001 411 K HA -0.078 4.243 4.320 0.001 0.000 0.214 411 K C 2.564 179.171 176.600 0.011 0.000 1.050 411 K CA 1.428 57.721 56.287 0.011 0.000 0.934 411 K CB -0.386 32.120 32.500 0.011 0.000 0.718 411 K HN 0.345 nan 8.250 nan 0.000 0.443 412 L N 0.962 122.192 121.223 0.013 0.000 2.042 412 L HA -0.228 4.112 4.340 0.001 0.000 0.210 412 L C 2.503 179.381 176.870 0.012 0.000 1.076 412 L CA 1.159 56.007 54.840 0.013 0.000 0.749 412 L CB -0.432 41.636 42.059 0.015 0.000 0.893 412 L HN 0.297 nan 8.230 nan 0.000 0.432 413 L N -0.695 120.536 121.223 0.014 0.000 2.141 413 L HA -0.163 4.177 4.340 0.001 0.000 0.209 413 L C 2.844 179.719 176.870 0.008 0.000 1.094 413 L CA 0.955 55.803 54.840 0.013 0.000 0.763 413 L CB -0.669 41.401 42.059 0.017 0.000 0.908 413 L HN 0.241 nan 8.230 nan 0.000 0.437 414 A N 0.297 123.122 122.820 0.008 0.000 1.873 414 A HA -0.131 4.190 4.320 0.001 0.000 0.215 414 A C 2.198 179.785 177.584 0.004 0.000 1.186 414 A CA 1.189 53.229 52.037 0.005 0.000 0.616 414 A CB -0.686 18.317 19.000 0.006 0.000 0.823 414 A HN 0.329 nan 8.150 nan 0.000 0.442 415 L N -0.906 120.320 121.223 0.005 0.000 2.187 415 L HA -0.125 4.216 4.340 0.001 0.000 0.213 415 L C 2.637 179.509 176.870 0.003 0.000 1.100 415 L CA 1.380 56.223 54.840 0.004 0.000 0.765 415 L CB -0.328 41.734 42.059 0.006 0.000 0.904 415 L HN 0.407 nan 8.230 nan 0.000 0.437 416 R N 0.131 120.633 120.500 0.003 0.000 2.299 416 R HA -0.004 4.337 4.340 0.001 0.000 0.197 416 R C 1.150 177.449 176.300 -0.002 0.000 0.971 416 R CA 0.724 56.824 56.100 0.001 0.000 1.030 416 R CB 0.144 30.446 30.300 0.002 0.000 0.932 416 R HN 0.402 nan 8.270 nan 0.000 0.477 417 G N 0.513 109.312 108.800 -0.002 0.000 2.159 417 G HA2 -0.256 3.705 3.960 0.001 0.000 0.227 417 G HA3 -0.256 3.705 3.960 0.001 0.000 0.227 417 G C -0.326 174.571 174.900 -0.005 0.000 0.986 417 G CA -0.174 44.924 45.100 -0.004 0.000 0.651 417 G HN 0.418 nan 8.290 nan 0.000 0.523 418 Q N 0.386 120.184 119.800 -0.004 0.000 2.256 418 Q HA 0.472 4.813 4.340 0.001 0.000 0.254 418 Q C -0.059 175.940 176.000 -0.002 0.000 0.916 418 Q CA -0.377 55.423 55.803 -0.005 0.000 0.932 418 Q CB 1.326 30.061 28.738 -0.003 0.000 1.207 418 Q HN 0.467 nan 8.270 nan 0.000 0.426 419 E N 1.558 121.756 120.200 -0.004 0.000 2.299 419 E HA 0.186 4.537 4.350 0.001 0.000 0.272 419 E C -1.164 175.436 176.600 -0.000 0.000 1.043 419 E CA -0.095 56.304 56.400 -0.003 0.000 0.895 419 E CB 1.046 30.743 29.700 -0.006 0.000 1.011 419 E HN 0.218 nan 8.360 nan 0.000 0.432 420 V N 2.972 122.887 119.914 0.002 0.000 3.001 420 V HA 0.743 4.863 4.120 0.001 0.000 0.314 420 V C -1.111 174.985 176.094 0.004 0.000 1.099 420 V CA -0.181 62.122 62.300 0.005 0.000 0.989 420 V CB 2.313 34.142 31.823 0.010 0.000 1.040 420 V HN 0.822 nan 8.190 nan 0.000 0.434 421 S N 4.342 120.045 115.700 0.004 0.000 2.567 421 S HA 0.722 5.192 4.470 0.001 0.000 0.270 421 S C -1.840 172.763 174.600 0.005 0.000 1.152 421 S CA -0.777 57.425 58.200 0.002 0.000 0.835 421 S CB 1.472 64.669 63.200 -0.004 0.000 1.115 421 S HN 0.670 nan 8.310 nan 0.000 0.459 422 L N 2.194 123.421 121.223 0.008 0.000 2.296 422 L HA 0.780 5.120 4.340 0.001 0.000 0.286 422 L C 0.852 177.729 176.870 0.011 0.000 1.023 422 L CA -0.213 54.636 54.840 0.014 0.000 0.812 422 L CB 1.096 43.167 42.059 0.020 0.000 1.223 422 L HN 1.085 nan 8.230 nan 0.000 0.421 423 A N 4.756 127.582 122.820 0.010 0.000 2.492 423 A HA 0.510 4.831 4.320 0.001 0.000 0.236 423 A C 0.130 177.730 177.584 0.026 0.000 1.078 423 A CA 0.125 52.162 52.037 -0.000 0.000 0.773 423 A CB 0.127 19.124 19.000 -0.004 0.000 1.023 423 A HN 0.732 nan 8.150 nan 0.000 0.504 424 R N -0.093 120.415 120.500 0.014 0.000 2.533 424 R HA 0.300 4.641 4.340 0.001 0.000 0.288 424 R C -1.062 175.274 176.300 0.060 0.000 1.039 424 R CA -0.554 55.581 56.100 0.058 0.000 0.909 424 R CB 1.515 31.840 30.300 0.042 0.000 1.195 424 R HN 0.683 nan 8.270 nan 0.000 0.438 425 F N 2.094 122.046 119.950 0.004 0.000 2.623 425 F HA -0.054 4.473 4.527 0.001 0.000 0.381 425 F C 1.557 177.336 175.800 -0.035 0.000 1.081 425 F CA 2.590 60.597 58.000 0.012 0.000 1.293 425 F CB 0.539 39.587 39.000 0.080 0.000 1.006 425 F HN 0.914 nan 8.300 nan 0.000 0.578 426 G N 3.574 112.008 108.800 -0.610 0.000 2.382 426 G HA2 -0.368 3.593 3.960 0.001 0.000 0.259 426 G HA3 -0.368 3.593 3.960 0.001 0.000 0.259 426 G C 0.302 175.059 174.900 -0.239 0.000 1.009 426 G CA 0.500 45.390 45.100 -0.349 0.000 0.625 426 G HN 0.678 nan 8.290 nan 0.000 0.541 427 E N 1.612 121.712 120.200 -0.167 0.000 1.996 427 E HA 0.471 4.822 4.350 0.001 0.000 0.280 427 E C 1.052 177.555 176.600 -0.162 0.000 1.092 427 E CA 0.031 56.367 56.400 -0.106 0.000 0.862 427 E CB 0.507 30.184 29.700 -0.040 0.000 1.066 427 E HN 0.448 nan 8.360 nan 0.000 0.396 428 G N 1.820 110.523 108.800 -0.162 0.000 2.569 428 G HA2 0.299 4.260 3.960 0.001 0.000 0.249 428 G HA3 0.299 4.260 3.960 0.001 0.000 0.249 428 G C -0.280 174.559 174.900 -0.101 0.000 1.216 428 G CA -0.380 44.624 45.100 -0.159 0.000 0.845 428 G HN 0.325 nan 8.290 nan 0.000 0.568 429 V N 3.109 122.964 119.914 -0.099 0.000 2.555 429 V HA 0.435 4.556 4.120 0.001 0.000 0.302 429 V C -1.984 174.077 176.094 -0.055 0.000 1.038 429 V CA -1.531 60.728 62.300 -0.068 0.000 0.887 429 V CB 2.386 34.168 31.823 -0.070 0.000 0.991 429 V HN 0.694 nan 8.190 nan 0.000 0.434 430 P HA 0.272 nan 4.420 nan 0.000 0.287 430 P C -0.260 177.025 177.300 -0.024 0.000 1.281 430 P CA 0.035 63.118 63.100 -0.028 0.000 0.781 430 P CB 1.516 33.203 31.700 -0.021 0.000 0.903 431 V N 0.000 119.901 119.914 -0.021 0.000 2.409 431 V HA 0.000 4.121 4.120 0.001 0.000 0.244 431 V CA 0.000 62.292 62.300 -0.014 0.000 1.235 431 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556