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 3ihg_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNDHEVDVLV VGAGLGGLST AMFLARQGVR VLVVERRPGL SPYPRAAGQN DATA SEQUENCE PRTMELLRIG GVADEVVRAD DIRGTQGDFV IRLAESVRGE ILRTVSESFD DATA SEQUENCE DMVAATEPCT PAGWAMLSQD KLEPILLAQA RKHGGAIRFG TRLLSFRQHD DATA SEQUENCE DDAGAGVTAR LAGPDGEYDL RAGYLVGADG NRSLVRESLG IGRYGHGTLT DATA SEQUENCE HMVGVIFDAD LSGIMEPGTT GWYYLHHPEF KGTFGPTDRP DRHTLFVEYD DATA SEQUENCE PDEGERPEDF TPQRCVELIG LALDAPEVKP ELVDIQGWEM AARIAERWRE DATA SEQUENCE GRVFLAGDAA KVTPPTGGMS GNAAVADGFD LAWKLAAVLQ GQAGAGLLDT DATA SEQUENCE YEDERKVAAE LVVAEALAIY AQRMAPHMAE VWDKSVGYPE TLLGFRYRSS DATA SEQUENCE AVLATDDDPA RVENPLTPSG RPGFRGPHVL VSRHGERLST VDLFGDGWTL DATA SEQUENCE LAGELGADWV AAAEAVSAEL GVPVRAYRVG AGLTDPESAV SERYGIGKAG DATA SEQUENCE ASLVRPDGIV AWRTDEAAAD AAQTLEGVLR RVLDR 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 0.000 176.255 176.300 -0.074 0.000 1.140 1 M CA 0.000 55.264 55.300 -0.060 0.000 0.988 1 M CB 0.000 32.556 32.600 -0.074 0.000 1.302 2 N N 1.181 119.831 118.700 -0.084 0.000 2.514 2 N HA 0.361 5.092 4.740 -0.015 0.000 0.277 2 N C -0.948 174.480 175.510 -0.136 0.000 1.126 2 N CA -0.294 52.707 53.050 -0.083 0.000 0.978 2 N CB 0.609 39.061 38.487 -0.059 0.000 1.106 2 N HN 0.537 nan 8.380 nan 0.000 0.461 3 D N 0.775 121.107 120.400 -0.112 0.000 2.458 3 D HA -0.043 4.588 4.640 -0.015 0.000 0.243 3 D C -0.309 175.923 176.300 -0.114 0.000 1.146 3 D CA 0.134 54.051 54.000 -0.139 0.000 0.877 3 D CB 0.279 41.044 40.800 -0.060 0.000 1.176 3 D HN 0.427 nan 8.370 nan 0.000 0.461 4 H N 1.818 120.873 119.070 -0.024 0.000 3.058 4 H HA -0.028 4.518 4.556 -0.016 0.000 0.347 4 H C 1.090 176.414 175.328 -0.006 0.000 1.087 4 H CA 0.402 56.438 56.048 -0.020 0.000 1.375 4 H CB 0.721 30.474 29.762 -0.015 0.000 1.312 4 H HN 0.547 nan 8.280 nan 0.000 0.607 5 E N 0.690 120.977 120.200 0.146 0.000 2.250 5 E HA 0.086 4.427 4.350 -0.015 0.000 0.192 5 E C -0.266 176.378 176.600 0.073 0.000 0.986 5 E CA 0.379 56.827 56.400 0.081 0.000 0.849 5 E CB 0.810 30.549 29.700 0.065 0.000 0.797 5 E HN 0.166 nan 8.360 nan 0.000 0.482 6 V N 0.612 120.575 119.914 0.083 0.000 3.012 6 V HA 0.029 4.140 4.120 -0.015 0.000 0.307 6 V C -0.673 175.454 176.094 0.055 0.000 1.166 6 V CA -0.576 61.758 62.300 0.056 0.000 0.974 6 V CB 2.243 34.085 31.823 0.032 0.000 1.040 6 V HN -0.076 nan 8.190 nan 0.000 0.428 7 D N 2.141 122.579 120.400 0.063 0.000 2.123 7 D HA 0.053 4.684 4.640 -0.015 0.000 0.200 7 D C 0.282 176.632 176.300 0.084 0.000 0.976 7 D CA 1.591 55.643 54.000 0.086 0.000 0.831 7 D CB 0.358 41.214 40.800 0.094 0.000 0.974 7 D HN 0.292 nan 8.370 nan 0.000 0.469 8 V N 1.239 121.179 119.914 0.044 0.000 2.638 8 V HA 0.301 4.412 4.120 -0.015 0.000 0.306 8 V C -0.757 175.336 176.094 -0.003 0.000 1.052 8 V CA -0.974 61.346 62.300 0.033 0.000 0.885 8 V CB 2.630 34.441 31.823 -0.019 0.000 0.999 8 V HN -0.079 nan 8.190 nan 0.000 0.424 9 L N 5.945 127.160 121.223 -0.012 0.000 2.287 9 L HA 0.732 5.063 4.340 -0.015 0.000 0.287 9 L C -0.562 176.280 176.870 -0.047 0.000 1.022 9 L CA 0.065 54.886 54.840 -0.032 0.000 0.814 9 L CB 1.648 43.684 42.059 -0.039 0.000 1.217 9 L HN 0.465 nan 8.230 nan 0.000 0.420 10 V N 5.816 125.698 119.914 -0.053 0.000 2.459 10 V HA 0.517 4.628 4.120 -0.015 0.000 0.295 10 V C -0.495 175.560 176.094 -0.064 0.000 1.029 10 V CA -0.689 61.575 62.300 -0.060 0.000 0.874 10 V CB 1.930 33.716 31.823 -0.061 0.000 0.985 10 V HN 0.489 nan 8.190 nan 0.000 0.438 11 V N 3.919 123.796 119.914 -0.061 0.000 2.350 11 V HA 0.909 5.019 4.120 -0.015 0.000 0.285 11 V C 0.424 176.490 176.094 -0.048 0.000 1.014 11 V CA 0.215 62.481 62.300 -0.057 0.000 0.831 11 V CB 0.824 32.614 31.823 -0.054 0.000 1.000 11 V HN 1.311 nan 8.190 nan 0.000 0.433 12 G N 4.081 112.851 108.800 -0.051 0.000 3.067 12 G HA2 0.356 4.307 3.960 -0.015 0.000 0.686 12 G HA3 0.356 4.307 3.960 -0.015 0.000 0.686 12 G C -0.264 174.608 174.900 -0.046 0.000 1.119 12 G CA -0.208 44.869 45.100 -0.039 0.000 0.790 12 G HN 1.577 nan 8.290 nan 0.000 0.605 13 A N 1.429 124.230 122.820 -0.032 0.000 2.855 13 A HA 0.815 5.126 4.320 -0.015 0.000 0.301 13 A C 1.193 178.784 177.584 0.013 0.000 1.076 13 A CA 1.082 53.102 52.037 -0.028 0.000 1.004 13 A CB -0.100 18.869 19.000 -0.051 0.000 1.152 13 A HN 2.143 nan 8.150 nan 0.000 0.531 14 G N -0.945 107.858 108.800 0.006 0.000 2.543 14 G HA2 0.437 4.388 3.960 -0.015 0.000 0.267 14 G HA3 0.437 4.388 3.960 -0.015 0.000 0.267 14 G C 0.866 175.777 174.900 0.018 0.000 1.406 14 G CA -0.545 44.563 45.100 0.014 0.000 1.048 14 G HN 0.206 nan 8.290 nan 0.000 0.548 15 L N 0.127 121.365 121.223 0.025 0.000 2.093 15 L HA 0.038 4.369 4.340 -0.015 0.000 0.208 15 L C 3.090 179.987 176.870 0.046 0.000 1.085 15 L CA 1.198 56.060 54.840 0.036 0.000 0.755 15 L CB -0.462 41.623 42.059 0.043 0.000 0.904 15 L HN 0.661 nan 8.230 nan 0.000 0.435 16 G N -0.360 108.463 108.800 0.039 0.000 2.418 16 G HA2 -0.194 3.757 3.960 -0.015 0.000 0.217 16 G HA3 -0.194 3.757 3.960 -0.015 0.000 0.217 16 G C 1.571 176.492 174.900 0.037 0.000 1.158 16 G CA 0.741 45.870 45.100 0.048 0.000 0.771 16 G HN 0.480 nan 8.290 nan 0.000 0.545 17 G N 0.589 109.395 108.800 0.010 0.000 2.394 17 G HA2 -0.063 3.888 3.960 -0.015 0.000 0.215 17 G HA3 -0.063 3.888 3.960 -0.015 0.000 0.215 17 G C 1.777 176.669 174.900 -0.013 0.000 1.165 17 G CA 0.508 45.601 45.100 -0.012 0.000 0.784 17 G HN 0.408 nan 8.290 nan 0.000 0.535 18 L N 0.472 121.692 121.223 -0.006 0.000 2.179 18 L HA 0.006 4.337 4.340 -0.015 0.000 0.208 18 L C 3.071 179.929 176.870 -0.020 0.000 1.096 18 L CA 0.901 55.729 54.840 -0.019 0.000 0.779 18 L CB -0.277 41.775 42.059 -0.011 0.000 0.922 18 L HN 0.331 nan 8.230 nan 0.000 0.443 19 S N -0.416 115.305 115.700 0.036 0.000 2.353 19 S HA -0.209 4.252 4.470 -0.015 0.000 0.222 19 S C 2.010 176.707 174.600 0.162 0.000 1.035 19 S CA 2.232 60.503 58.200 0.119 0.000 1.025 19 S CB -0.189 63.151 63.200 0.234 0.000 0.902 19 S HN 0.426 nan 8.310 nan 0.000 0.440 20 T N 2.078 116.693 114.554 0.103 0.000 2.746 20 T HA -0.018 4.323 4.350 -0.015 0.000 0.267 20 T C 2.055 176.758 174.700 0.007 0.000 1.039 20 T CA 1.403 63.533 62.100 0.050 0.000 1.142 20 T CB -0.743 68.107 68.868 -0.030 0.000 0.866 20 T HN 0.528 nan 8.240 nan 0.000 0.444 21 A N 1.559 124.364 122.820 -0.025 0.000 1.873 21 A HA -0.017 4.294 4.320 -0.015 0.000 0.215 21 A C 2.335 179.877 177.584 -0.071 0.000 1.186 21 A CA 1.772 53.780 52.037 -0.048 0.000 0.616 21 A CB -0.751 18.216 19.000 -0.055 0.000 0.823 21 A HN 0.520 nan 8.150 nan 0.000 0.442 22 M N -1.463 118.060 119.600 -0.129 0.000 2.080 22 M HA -0.144 4.327 4.480 -0.015 0.000 0.260 22 M C 1.668 177.792 176.300 -0.294 0.000 1.068 22 M CA 2.041 57.192 55.300 -0.248 0.000 1.109 22 M CB -0.264 32.097 32.600 -0.398 0.000 1.342 22 M HN 0.339 nan 8.290 nan 0.000 0.405 23 F N 0.369 120.273 119.950 -0.076 0.000 2.407 23 F HA -0.043 4.478 4.527 -0.010 0.000 0.299 23 F C 1.935 177.647 175.800 -0.148 0.000 1.097 23 F CA 0.866 58.785 58.000 -0.135 0.000 1.422 23 F CB -0.574 38.306 39.000 -0.200 0.000 1.067 23 F HN 0.137 nan 8.300 nan 0.000 0.539 24 L N -0.642 120.591 121.223 0.016 0.000 2.044 24 L HA -0.116 4.215 4.340 -0.015 0.000 0.205 24 L C 2.715 179.571 176.870 -0.023 0.000 1.075 24 L CA 1.102 55.923 54.840 -0.031 0.000 0.747 24 L CB -0.898 41.125 42.059 -0.059 0.000 0.903 24 L HN 0.113 nan 8.230 nan 0.000 0.435 25 A N -0.030 122.775 122.820 -0.025 0.000 1.933 25 A HA -0.205 4.106 4.320 -0.015 0.000 0.218 25 A C 2.321 179.913 177.584 0.013 0.000 1.175 25 A CA 1.363 53.405 52.037 0.008 0.000 0.628 25 A CB -0.511 18.503 19.000 0.023 0.000 0.814 25 A HN 0.301 nan 8.150 nan 0.000 0.444 26 R N -0.800 119.639 120.500 -0.101 0.000 2.200 26 R HA -0.095 4.236 4.340 -0.015 0.000 0.234 26 R C 1.290 177.554 176.300 -0.060 0.000 1.127 26 R CA 1.176 57.129 56.100 -0.245 0.000 0.989 26 R CB -0.050 30.044 30.300 -0.344 0.000 0.869 26 R HN 0.481 nan 8.270 nan 0.000 0.459 27 Q N -1.025 118.768 119.800 -0.011 0.000 2.319 27 Q HA 0.130 4.461 4.340 -0.015 0.000 0.202 27 Q C 0.853 176.873 176.000 0.032 0.000 0.896 27 Q CA 0.630 56.443 55.803 0.017 0.000 0.942 27 Q CB 1.525 30.271 28.738 0.012 0.000 1.083 27 Q HN 0.518 nan 8.270 nan 0.000 0.510 28 G N 0.355 109.180 108.800 0.041 0.000 2.141 28 G HA2 -0.235 3.716 3.960 -0.015 0.000 0.242 28 G HA3 -0.235 3.716 3.960 -0.015 0.000 0.242 28 G C 0.122 175.043 174.900 0.034 0.000 0.982 28 G CA 0.195 45.323 45.100 0.048 0.000 0.662 28 G HN 0.211 nan 8.290 nan 0.000 0.527 29 V N 1.191 121.117 119.914 0.021 0.000 2.530 29 V HA 0.337 4.448 4.120 -0.015 0.000 0.282 29 V C 1.254 177.358 176.094 0.017 0.000 1.048 29 V CA -0.424 61.884 62.300 0.013 0.000 0.997 29 V CB 1.161 32.975 31.823 -0.016 0.000 0.987 29 V HN 0.384 nan 8.190 nan 0.000 0.477 30 R N 3.356 123.871 120.500 0.025 0.000 2.345 30 R HA 0.404 4.735 4.340 -0.015 0.000 0.331 30 R C -0.584 175.724 176.300 0.014 0.000 1.067 30 R CA -0.013 56.100 56.100 0.023 0.000 0.962 30 R CB 0.830 31.150 30.300 0.034 0.000 0.987 30 R HN 0.486 nan 8.270 nan 0.000 0.451 31 V N 5.528 125.443 119.914 0.001 0.000 2.709 31 V HA 0.525 4.636 4.120 -0.015 0.000 0.308 31 V C -1.612 174.471 176.094 -0.018 0.000 1.062 31 V CA -1.093 61.200 62.300 -0.012 0.000 0.901 31 V CB 1.988 33.794 31.823 -0.027 0.000 1.003 31 V HN 0.554 nan 8.190 nan 0.000 0.425 32 L N 7.123 128.332 121.223 -0.023 0.000 2.376 32 L HA 0.731 5.062 4.340 -0.015 0.000 0.275 32 L C -0.793 176.045 176.870 -0.054 0.000 0.987 32 L CA -0.082 54.739 54.840 -0.031 0.000 0.828 32 L CB 1.943 43.997 42.059 -0.008 0.000 1.249 32 L HN 0.524 nan 8.230 nan 0.000 0.409 33 V N 5.470 125.332 119.914 -0.086 0.000 2.509 33 V HA 0.595 4.706 4.120 -0.015 0.000 0.284 33 V C -0.024 175.983 176.094 -0.144 0.000 1.047 33 V CA -0.304 61.925 62.300 -0.118 0.000 0.952 33 V CB 1.572 33.303 31.823 -0.152 0.000 0.988 33 V HN 0.678 nan 8.190 nan 0.000 0.469 34 V N 1.914 121.756 119.914 -0.120 0.000 2.769 34 V HA 0.988 5.099 4.120 -0.015 0.000 0.312 34 V C -0.821 175.195 176.094 -0.130 0.000 1.061 34 V CA -0.744 61.483 62.300 -0.122 0.000 0.931 34 V CB 1.973 33.761 31.823 -0.059 0.000 1.010 34 V HN 0.900 nan 8.190 nan 0.000 0.433 35 E N 2.565 122.686 120.200 -0.132 0.000 2.278 35 E HA 0.458 4.799 4.350 -0.015 0.000 0.272 35 E C 0.623 177.238 176.600 0.025 0.000 0.890 35 E CA -0.372 55.985 56.400 -0.072 0.000 0.770 35 E CB 2.124 31.733 29.700 -0.151 0.000 1.212 35 E HN 0.796 nan 8.360 nan 0.000 0.415 36 R N 3.117 123.638 120.500 0.035 0.000 2.115 36 R HA 0.134 4.465 4.340 -0.015 0.000 0.230 36 R C 0.449 176.800 176.300 0.085 0.000 1.111 36 R CA 0.463 56.593 56.100 0.049 0.000 0.976 36 R CB -0.194 30.122 30.300 0.027 0.000 0.870 36 R HN 0.233 nan 8.270 nan 0.000 0.445 37 R N 1.275 121.844 120.500 0.115 0.000 2.641 37 R HA 0.079 4.410 4.340 -0.015 0.000 0.269 37 R C -1.779 174.629 176.300 0.180 0.000 1.074 37 R CA -1.683 54.485 56.100 0.114 0.000 1.133 37 R CB 0.276 30.632 30.300 0.093 0.000 1.029 37 R HN 0.023 nan 8.270 nan 0.000 0.488 38 P HA 0.015 nan 4.420 nan 0.000 0.233 38 P C -0.162 176.942 177.300 -0.328 0.000 1.167 38 P CA 0.598 63.678 63.100 -0.034 0.000 0.770 38 P CB 0.482 32.144 31.700 -0.063 0.000 0.837 39 G N -1.818 106.752 108.800 -0.385 0.000 2.523 39 G HA2 0.388 4.339 3.960 -0.015 0.000 0.291 39 G HA3 0.388 4.339 3.960 -0.015 0.000 0.291 39 G C -1.602 173.113 174.900 -0.309 0.000 1.450 39 G CA -0.834 43.752 45.100 -0.856 0.000 0.790 39 G HN -0.054 nan 8.290 nan 0.000 0.496 40 L N 1.031 122.124 121.223 -0.218 0.000 2.485 40 L HA 0.328 4.659 4.340 -0.015 0.000 0.275 40 L C 1.348 178.179 176.870 -0.065 0.000 1.207 40 L CA -0.154 54.699 54.840 0.022 0.000 0.855 40 L CB 0.943 43.047 42.059 0.074 0.000 1.114 40 L HN 0.477 nan 8.230 nan 0.000 0.485 41 S N 3.477 119.149 115.700 -0.048 0.000 2.549 41 S HA 0.215 4.676 4.470 -0.015 0.000 0.279 41 S C -1.193 173.353 174.600 -0.091 0.000 1.321 41 S CA -1.181 56.949 58.200 -0.117 0.000 1.054 41 S CB 0.816 63.963 63.200 -0.090 0.000 0.899 41 S HN 0.513 nan 8.310 nan 0.000 0.497 42 P HA 0.079 nan 4.420 nan 0.000 0.245 42 P C -0.401 176.954 177.300 0.092 0.000 1.203 42 P CA 0.114 63.183 63.100 -0.052 0.000 0.792 42 P CB 0.035 31.682 31.700 -0.087 0.000 0.997 43 Y N 2.163 122.451 120.300 -0.021 0.000 2.511 43 Y HA 0.079 4.620 4.550 -0.015 0.000 0.332 43 Y C -0.597 175.300 175.900 -0.006 0.000 1.177 43 Y CA -3.025 55.064 58.100 -0.018 0.000 1.422 43 Y CB -0.550 37.896 38.460 -0.022 0.000 1.271 43 Y HN -0.013 nan 8.280 nan 0.000 0.550 44 P HA -0.211 nan 4.420 nan 0.000 0.215 44 P C 0.347 177.705 177.300 0.096 0.000 1.157 44 P CA 1.749 64.906 63.100 0.095 0.000 0.868 44 P CB 0.599 32.340 31.700 0.069 0.000 0.788 45 R N -0.612 119.953 120.500 0.109 0.000 3.793 45 R HA -0.216 4.115 4.340 -0.015 0.000 0.464 45 R C 0.786 177.144 176.300 0.096 0.000 0.241 45 R CA 1.502 57.657 56.100 0.092 0.000 1.464 45 R CB -2.649 27.680 30.300 0.049 0.000 0.954 45 R HN 0.338 nan 8.270 nan 0.000 0.583 46 A N 1.064 123.923 122.820 0.064 0.000 2.362 46 A HA 0.642 4.953 4.320 -0.015 0.000 0.276 46 A C -0.165 177.441 177.584 0.037 0.000 1.153 46 A CA 0.264 52.333 52.037 0.052 0.000 0.813 46 A CB 0.796 19.826 19.000 0.050 0.000 1.081 46 A HN 0.669 nan 8.150 nan 0.000 0.507 47 A N 1.937 124.764 122.820 0.012 0.000 2.413 47 A HA 0.947 5.258 4.320 -0.015 0.000 0.307 47 A C 0.336 177.930 177.584 0.016 0.000 1.087 47 A CA -0.083 51.959 52.037 0.010 0.000 0.750 47 A CB 1.116 20.116 19.000 0.000 0.000 1.296 47 A HN 2.822 nan 8.150 nan 0.000 0.423 48 G N 0.363 109.190 108.800 0.046 0.000 2.895 48 G HA2 0.266 4.217 3.960 -0.015 0.000 0.686 48 G HA3 0.266 4.217 3.960 -0.015 0.000 0.686 48 G C -1.178 173.814 174.900 0.154 0.000 1.108 48 G CA -0.685 44.503 45.100 0.146 0.000 0.761 48 G HN 0.987 nan 8.290 nan 0.000 0.611 49 Q N 0.683 120.574 119.800 0.151 0.000 2.333 49 Q HA 0.532 4.863 4.340 -0.015 0.000 0.268 49 Q C 0.477 176.266 176.000 -0.352 0.000 1.007 49 Q CA -0.866 54.914 55.803 -0.038 0.000 0.810 49 Q CB 1.555 30.283 28.738 -0.016 0.000 1.264 49 Q HN 0.949 nan 8.270 nan 0.000 0.452 50 N N 1.535 119.845 118.700 -0.650 0.000 2.379 50 N HA 0.332 5.063 4.740 -0.015 0.000 0.260 50 N C -2.120 172.895 175.510 -0.824 0.000 1.254 50 N CA -1.648 50.613 53.050 -1.315 0.000 0.958 50 N CB 0.289 38.162 38.487 -1.024 0.000 1.208 50 N HN 0.104 nan 8.380 nan 0.000 0.532 51 P HA -0.040 nan 4.420 nan 0.000 0.221 51 P C 1.209 178.328 177.300 -0.302 0.000 1.150 51 P CA 1.139 63.965 63.100 -0.457 0.000 0.800 51 P CB 0.162 31.641 31.700 -0.369 0.000 0.787 52 R N -0.355 119.975 120.500 -0.284 0.000 2.073 52 R HA -0.048 4.283 4.340 -0.015 0.000 0.229 52 R C 1.884 178.066 176.300 -0.197 0.000 1.120 52 R CA 2.106 58.092 56.100 -0.190 0.000 0.967 52 R CB -1.700 28.531 30.300 -0.115 0.000 0.862 52 R HN 0.034 nan 8.270 nan 0.000 0.436 53 T N 1.147 115.576 114.554 -0.208 0.000 2.720 53 T HA -0.136 4.205 4.350 -0.015 0.000 0.268 53 T C 1.650 176.285 174.700 -0.108 0.000 1.037 53 T CA 1.566 63.581 62.100 -0.142 0.000 1.144 53 T CB -0.134 68.657 68.868 -0.129 0.000 0.864 53 T HN 0.092 nan 8.240 nan 0.000 0.444 54 M N 1.205 120.718 119.600 -0.145 0.000 2.213 54 M HA -0.015 4.456 4.480 -0.015 0.000 0.263 54 M C 2.148 178.401 176.300 -0.078 0.000 1.062 54 M CA 1.208 56.451 55.300 -0.095 0.000 1.105 54 M CB -1.099 31.432 32.600 -0.114 0.000 1.385 54 M HN 0.383 nan 8.290 nan 0.000 0.417 55 E N 0.041 120.168 120.200 -0.121 0.000 2.110 55 E HA -0.148 4.193 4.350 -0.015 0.000 0.193 55 E C 2.093 178.619 176.600 -0.124 0.000 0.988 55 E CA 1.006 57.335 56.400 -0.118 0.000 0.804 55 E CB -0.070 29.540 29.700 -0.149 0.000 0.745 55 E HN 0.465 nan 8.360 nan 0.000 0.458 56 L N 0.279 121.393 121.223 -0.181 0.000 2.127 56 L HA -0.086 4.245 4.340 -0.015 0.000 0.203 56 L C 2.379 179.376 176.870 0.211 0.000 1.080 56 L CA 0.512 55.227 54.840 -0.208 0.000 0.768 56 L CB -0.337 41.428 42.059 -0.489 0.000 0.924 56 L HN 0.119 nan 8.230 nan 0.000 0.444 57 L N -0.205 121.124 121.223 0.177 0.000 2.127 57 L HA -0.201 4.130 4.340 -0.015 0.000 0.211 57 L C 2.908 179.861 176.870 0.139 0.000 1.089 57 L CA 1.034 55.989 54.840 0.192 0.000 0.757 57 L CB -0.571 41.545 42.059 0.095 0.000 0.899 57 L HN 0.316 nan 8.230 nan 0.000 0.434 58 R N 1.003 121.555 120.500 0.087 0.000 2.062 58 R HA -0.155 4.176 4.340 -0.015 0.000 0.231 58 R C 2.312 178.679 176.300 0.111 0.000 1.136 58 R CA 1.601 57.742 56.100 0.068 0.000 0.948 58 R CB -0.369 29.944 30.300 0.022 0.000 0.845 58 R HN 0.278 nan 8.270 nan 0.000 0.430 59 I N 0.229 120.886 120.570 0.145 0.000 2.185 59 I HA -0.243 3.918 4.170 -0.015 0.000 0.246 59 I C 2.244 178.524 176.117 0.273 0.000 1.088 59 I CA 1.759 63.184 61.300 0.208 0.000 1.347 59 I CB -0.474 37.686 38.000 0.267 0.000 1.041 59 I HN 0.370 nan 8.210 nan 0.000 0.415 60 G N -0.599 108.436 108.800 0.392 0.000 2.848 60 G HA2 0.173 4.124 3.960 -0.015 0.000 0.208 60 G HA3 0.173 4.124 3.960 -0.015 0.000 0.208 60 G C 1.359 176.297 174.900 0.062 0.000 1.152 60 G CA 0.474 45.747 45.100 0.288 0.000 0.789 60 G HN 0.622 nan 8.290 nan 0.000 0.531 61 G N -0.717 108.135 108.800 0.086 0.000 2.153 61 G HA2 -0.238 3.713 3.960 -0.015 0.000 0.252 61 G HA3 -0.238 3.713 3.960 -0.015 0.000 0.252 61 G C 1.001 175.926 174.900 0.042 0.000 0.994 61 G CA 0.982 46.116 45.100 0.058 0.000 0.698 61 G HN 1.436 nan 8.290 nan 0.000 0.521 62 V N -3.660 116.274 119.914 0.033 0.000 3.528 62 V HA 0.732 4.843 4.120 -0.015 0.000 0.294 62 V C 2.262 178.373 176.094 0.028 0.000 1.404 62 V CA 1.051 63.363 62.300 0.020 0.000 1.065 62 V CB 0.026 31.843 31.823 -0.010 0.000 0.904 62 V HN 1.130 nan 8.190 nan 0.000 0.435 63 A N 1.140 123.983 122.820 0.038 0.000 1.902 63 A HA -0.180 4.131 4.320 -0.015 0.000 0.217 63 A C 1.882 179.483 177.584 0.030 0.000 1.181 63 A CA 2.255 54.312 52.037 0.034 0.000 0.623 63 A CB -0.645 18.375 19.000 0.033 0.000 0.818 63 A HN 0.537 nan 8.150 nan 0.000 0.443 64 D N -0.369 120.048 120.400 0.029 0.000 2.144 64 D HA -0.113 4.518 4.640 -0.015 0.000 0.199 64 D C 1.862 178.176 176.300 0.023 0.000 0.984 64 D CA 1.438 55.453 54.000 0.026 0.000 0.834 64 D CB -0.352 40.464 40.800 0.026 0.000 0.955 64 D HN 0.653 nan 8.370 nan 0.000 0.465 65 E N 0.081 120.294 120.200 0.022 0.000 2.106 65 E HA -0.083 4.258 4.350 -0.015 0.000 0.192 65 E C 2.248 178.859 176.600 0.017 0.000 0.984 65 E CA 0.291 56.702 56.400 0.018 0.000 0.806 65 E CB 0.177 29.887 29.700 0.016 0.000 0.750 65 E HN 0.028 nan 8.360 nan 0.000 0.458 66 V N 0.468 120.394 119.914 0.020 0.000 2.343 66 V HA -0.228 3.883 4.120 -0.015 0.000 0.247 66 V C 2.188 178.296 176.094 0.023 0.000 1.051 66 V CA 1.313 63.626 62.300 0.022 0.000 1.036 66 V CB -0.253 31.586 31.823 0.026 0.000 0.654 66 V HN 0.163 nan 8.190 nan 0.000 0.451 67 V N -0.417 119.513 119.914 0.027 0.000 2.515 67 V HA -0.179 3.932 4.120 -0.015 0.000 0.250 67 V C 2.473 178.576 176.094 0.016 0.000 1.058 67 V CA 1.759 64.076 62.300 0.028 0.000 1.064 67 V CB -0.697 31.148 31.823 0.035 0.000 0.675 67 V HN 0.457 nan 8.190 nan 0.000 0.461 68 R N -0.281 120.228 120.500 0.014 0.000 2.240 68 R HA 0.204 4.535 4.340 -0.015 0.000 0.203 68 R C 1.080 177.382 176.300 0.004 0.000 1.011 68 R CA 0.521 56.627 56.100 0.009 0.000 1.007 68 R CB -0.055 30.252 30.300 0.011 0.000 0.911 68 R HN 0.502 nan 8.270 nan 0.000 0.468 69 A N 1.296 124.119 122.820 0.005 0.000 2.313 69 A HA 0.110 4.421 4.320 -0.015 0.000 0.261 69 A C -0.537 177.045 177.584 -0.003 0.000 1.090 69 A CA -0.543 51.496 52.037 0.003 0.000 0.807 69 A CB 0.327 19.331 19.000 0.006 0.000 1.055 69 A HN 0.056 nan 8.150 nan 0.000 0.492 70 D N 1.032 121.430 120.400 -0.004 0.000 2.425 70 D HA 0.313 4.944 4.640 -0.015 0.000 0.247 70 D C -0.172 176.122 176.300 -0.011 0.000 1.147 70 D CA 0.494 54.489 54.000 -0.008 0.000 0.879 70 D CB 0.866 41.663 40.800 -0.005 0.000 1.179 70 D HN 0.611 nan 8.370 nan 0.000 0.456 71 D N -0.369 120.017 120.400 -0.023 0.000 2.616 71 D HA 0.272 4.903 4.640 -0.015 0.000 0.260 71 D C 1.111 177.398 176.300 -0.021 0.000 1.158 71 D CA -0.719 53.260 54.000 -0.034 0.000 1.085 71 D CB 0.560 41.316 40.800 -0.075 0.000 1.222 71 D HN 0.362 nan 8.370 nan 0.000 0.626 72 I N -3.825 116.730 120.570 -0.026 0.000 3.956 72 I HA 0.320 4.481 4.170 -0.015 0.000 0.333 72 I C 0.604 176.782 176.117 0.102 0.000 1.302 72 I CA -0.622 60.700 61.300 0.038 0.000 1.122 72 I CB -0.048 37.995 38.000 0.070 0.000 1.013 72 I HN -0.063 nan 8.210 nan 0.000 0.405 73 R N 2.242 122.761 120.500 0.032 0.000 2.784 73 R HA 0.316 4.647 4.340 -0.015 0.000 0.266 73 R C 0.875 177.231 176.300 0.093 0.000 1.044 73 R CA 0.411 56.570 56.100 0.098 0.000 1.151 73 R CB 0.305 30.550 30.300 -0.092 0.000 1.037 73 R HN 0.398 nan 8.270 nan 0.000 0.478 74 G N -0.545 108.327 108.800 0.119 0.000 2.683 74 G HA2 -0.050 3.901 3.960 -0.015 0.000 0.260 74 G HA3 -0.050 3.901 3.960 -0.015 0.000 0.260 74 G C 1.054 175.982 174.900 0.047 0.000 1.238 74 G CA 0.013 45.166 45.100 0.088 0.000 0.934 74 G HN 0.718 nan 8.290 nan 0.000 0.534 75 T N -2.894 111.687 114.554 0.045 0.000 3.007 75 T HA -0.085 4.256 4.350 -0.015 0.000 0.270 75 T C 1.618 176.333 174.700 0.025 0.000 1.107 75 T CA 1.413 63.530 62.100 0.029 0.000 1.118 75 T CB -0.033 68.853 68.868 0.031 0.000 0.889 75 T HN 0.483 nan 8.240 nan 0.000 0.506 76 Q N 0.765 120.585 119.800 0.033 0.000 2.280 76 Q HA 0.288 4.619 4.340 -0.015 0.000 0.202 76 Q C 1.270 177.285 176.000 0.026 0.000 0.903 76 Q CA 0.126 55.948 55.803 0.032 0.000 0.948 76 Q CB 0.034 28.796 28.738 0.041 0.000 1.058 76 Q HN 0.786 nan 8.270 nan 0.000 0.493 77 G N 2.311 111.114 108.800 0.005 0.000 2.305 77 G HA2 -0.273 3.678 3.960 -0.015 0.000 0.287 77 G HA3 -0.273 3.678 3.960 -0.015 0.000 0.287 77 G C -0.418 174.460 174.900 -0.036 0.000 1.036 77 G CA 0.902 45.974 45.100 -0.046 0.000 0.887 77 G HN 0.425 nan 8.290 nan 0.000 0.505 78 D N -1.590 118.836 120.400 0.044 0.000 2.531 78 D HA 0.823 5.454 4.640 -0.015 0.000 0.244 78 D C -0.868 175.572 176.300 0.232 0.000 1.090 78 D CA -0.621 53.461 54.000 0.137 0.000 0.989 78 D CB 1.339 42.214 40.800 0.125 0.000 1.433 78 D HN 0.231 nan 8.370 nan 0.000 0.492 79 F N 1.568 121.579 119.950 0.101 0.000 2.623 79 F HA 0.476 4.994 4.527 -0.014 0.000 0.323 79 F C -1.939 173.898 175.800 0.062 0.000 1.158 79 F CA -0.652 57.403 58.000 0.092 0.000 1.030 79 F CB 1.200 40.273 39.000 0.122 0.000 1.280 79 F HN 0.191 nan 8.300 nan 0.000 0.474 80 V N 7.010 126.697 119.914 -0.378 0.000 2.864 80 V HA 0.716 4.827 4.120 -0.015 0.000 0.314 80 V C -1.099 174.724 176.094 -0.452 0.000 1.073 80 V CA -0.692 61.441 62.300 -0.278 0.000 0.956 80 V CB 2.214 33.911 31.823 -0.210 0.000 1.023 80 V HN 0.638 nan 8.190 nan 0.000 0.435 81 I N 6.219 126.649 120.570 -0.232 0.000 2.418 81 I HA 0.654 4.815 4.170 -0.015 0.000 0.287 81 I C -0.190 175.857 176.117 -0.115 0.000 1.008 81 I CA -0.537 60.669 61.300 -0.158 0.000 1.104 81 I CB 1.779 39.815 38.000 0.060 0.000 1.264 81 I HN 0.541 nan 8.210 nan 0.000 0.438 82 R N 4.952 125.349 120.500 -0.172 0.000 2.740 82 R HA 0.637 4.968 4.340 -0.015 0.000 0.273 82 R C -1.745 174.643 176.300 0.146 0.000 0.998 82 R CA -1.082 54.980 56.100 -0.064 0.000 0.900 82 R CB 2.479 32.655 30.300 -0.207 0.000 1.223 82 R HN 0.313 nan 8.270 nan 0.000 0.466 83 L N 1.946 123.277 121.223 0.180 0.000 2.264 83 L HA 0.689 5.020 4.340 -0.015 0.000 0.289 83 L C -0.122 176.849 176.870 0.169 0.000 1.044 83 L CA 0.191 55.172 54.840 0.234 0.000 0.807 83 L CB 1.451 43.613 42.059 0.172 0.000 1.192 83 L HN 0.808 nan 8.230 nan 0.000 0.425 84 A N 2.630 125.571 122.820 0.202 0.000 2.569 84 A HA 0.645 4.956 4.320 -0.015 0.000 0.290 84 A C 0.479 178.132 177.584 0.115 0.000 1.136 84 A CA -0.442 51.680 52.037 0.142 0.000 0.710 84 A CB 1.015 20.112 19.000 0.162 0.000 1.303 84 A HN 0.699 nan 8.150 nan 0.000 0.413 85 E N -0.249 119.987 120.200 0.060 0.000 2.230 85 E HA 0.088 4.428 4.350 -0.015 0.000 0.192 85 E C 0.484 177.114 176.600 0.049 0.000 0.987 85 E CA 1.125 57.544 56.400 0.030 0.000 0.841 85 E CB 0.206 29.895 29.700 -0.018 0.000 0.783 85 E HN 0.711 nan 8.360 nan 0.000 0.481 86 S N -1.798 113.915 115.700 0.021 0.000 2.596 86 S HA 0.237 4.698 4.470 -0.015 0.000 0.270 86 S C 0.677 175.200 174.600 -0.127 0.000 1.155 86 S CA -0.882 57.301 58.200 -0.028 0.000 0.827 86 S CB 1.573 64.784 63.200 0.017 0.000 1.130 86 S HN -0.147 nan 8.310 nan 0.000 0.467 87 V N 1.304 121.025 119.914 -0.322 0.000 2.223 87 V HA -0.078 4.033 4.120 -0.015 0.000 0.244 87 V C 1.440 177.313 176.094 -0.368 0.000 1.045 87 V CA 2.013 63.944 62.300 -0.617 0.000 1.000 87 V CB -0.980 30.196 31.823 -1.077 0.000 0.635 87 V HN 0.912 nan 8.190 nan 0.000 0.445 88 R N 0.952 121.283 120.500 -0.283 0.000 2.891 88 R HA 0.565 4.896 4.340 -0.015 0.000 0.248 88 R C 0.068 176.318 176.300 -0.084 0.000 1.439 88 R CA 0.461 56.468 56.100 -0.156 0.000 1.288 88 R CB 0.087 30.301 30.300 -0.143 0.000 1.212 88 R HN 0.374 nan 8.270 nan 0.000 0.605 89 G N 1.145 109.919 108.800 -0.043 0.000 2.500 89 G HA2 0.206 4.157 3.960 -0.015 0.000 0.299 89 G HA3 0.206 4.157 3.960 -0.015 0.000 0.299 89 G C -1.568 173.337 174.900 0.008 0.000 1.242 89 G CA -0.823 44.265 45.100 -0.019 0.000 0.859 89 G HN 0.275 nan 8.290 nan 0.000 0.481 90 E N 0.084 120.289 120.200 0.009 0.000 2.156 90 E HA 0.543 4.884 4.350 -0.015 0.000 0.279 90 E C -0.130 176.486 176.600 0.027 0.000 0.965 90 E CA -0.433 55.975 56.400 0.014 0.000 0.789 90 E CB 1.768 31.469 29.700 0.001 0.000 1.098 90 E HN 0.402 nan 8.360 nan 0.000 0.397 91 I N 4.949 125.538 120.570 0.032 0.000 2.505 91 I HA -0.059 4.101 4.170 -0.015 0.000 0.287 91 I C 1.167 177.298 176.117 0.023 0.000 1.104 91 I CA 0.134 61.458 61.300 0.039 0.000 1.387 91 I CB 0.320 38.338 38.000 0.030 0.000 1.404 91 I HN 0.524 nan 8.210 nan 0.000 0.528 92 L N 5.474 126.715 121.223 0.029 0.000 2.056 92 L HA 0.014 4.344 4.340 -0.015 0.000 0.207 92 L C 1.177 178.044 176.870 -0.006 0.000 1.078 92 L CA 1.063 55.906 54.840 0.004 0.000 0.749 92 L CB -0.413 41.644 42.059 -0.002 0.000 0.901 92 L HN 0.633 nan 8.230 nan 0.000 0.433 93 R N -1.091 119.413 120.500 0.007 0.000 2.604 93 R HA 0.273 4.604 4.340 -0.015 0.000 0.261 93 R C -1.487 174.817 176.300 0.006 0.000 1.080 93 R CA -0.390 55.707 56.100 -0.005 0.000 0.917 93 R CB 1.668 31.955 30.300 -0.021 0.000 1.252 93 R HN -0.258 nan 8.270 nan 0.000 0.456 94 T N 3.308 117.859 114.554 -0.006 0.000 2.743 94 T HA 0.201 4.542 4.350 -0.015 0.000 0.292 94 T C 0.990 175.681 174.700 -0.014 0.000 0.972 94 T CA -0.567 61.525 62.100 -0.013 0.000 0.967 94 T CB 1.549 70.405 68.868 -0.021 0.000 0.926 94 T HN 0.401 nan 8.240 nan 0.000 0.459 95 V N 2.721 122.633 119.914 -0.002 0.000 2.273 95 V HA 0.044 4.155 4.120 -0.015 0.000 0.242 95 V C 1.371 177.446 176.094 -0.030 0.000 1.035 95 V CA 1.000 63.295 62.300 -0.009 0.000 1.013 95 V CB 0.089 31.931 31.823 0.031 0.000 0.652 95 V HN 0.762 nan 8.190 nan 0.000 0.452 96 S N -1.147 114.533 115.700 -0.032 0.000 2.552 96 S HA 0.335 4.796 4.470 -0.015 0.000 0.314 96 S C 0.517 175.093 174.600 -0.040 0.000 1.099 96 S CA -0.554 57.620 58.200 -0.044 0.000 1.070 96 S CB 1.758 64.924 63.200 -0.056 0.000 0.998 96 S HN 0.385 nan 8.310 nan 0.000 0.474 97 E N 3.502 123.684 120.200 -0.030 0.000 2.107 97 E HA 0.048 4.389 4.350 -0.015 0.000 0.191 97 E C 0.610 177.209 176.600 -0.002 0.000 0.982 97 E CA 1.149 57.538 56.400 -0.019 0.000 0.809 97 E CB 0.178 29.871 29.700 -0.012 0.000 0.756 97 E HN 0.669 nan 8.360 nan 0.000 0.459 98 S N -2.663 113.045 115.700 0.013 0.000 2.752 98 S HA 0.256 4.717 4.470 -0.015 0.000 0.284 98 S C 0.298 174.954 174.600 0.094 0.000 1.189 98 S CA -0.423 57.818 58.200 0.068 0.000 0.835 98 S CB -0.143 63.098 63.200 0.069 0.000 1.192 98 S HN 0.068 nan 8.310 nan 0.000 0.506 99 F N 1.317 121.288 119.950 0.035 0.000 2.219 99 F HA 0.154 4.672 4.527 -0.016 0.000 0.294 99 F C 1.704 177.498 175.800 -0.010 0.000 1.086 99 F CA 1.701 59.707 58.000 0.010 0.000 1.330 99 F CB -0.406 38.621 39.000 0.046 0.000 1.047 99 F HN 0.617 nan 8.300 nan 0.000 0.495 100 D N 0.481 120.928 120.400 0.079 0.000 2.182 100 D HA -0.175 4.456 4.640 -0.015 0.000 0.201 100 D C 1.624 177.864 176.300 -0.102 0.000 0.986 100 D CA 1.514 55.516 54.000 0.003 0.000 0.847 100 D CB -0.380 40.474 40.800 0.090 0.000 0.942 100 D HN 0.343 nan 8.370 nan 0.000 0.467 101 D N -0.865 119.481 120.400 -0.090 0.000 2.249 101 D HA 0.009 4.640 4.640 -0.015 0.000 0.205 101 D C 1.924 178.143 176.300 -0.136 0.000 0.962 101 D CA 0.155 54.105 54.000 -0.083 0.000 0.860 101 D CB -0.043 40.729 40.800 -0.045 0.000 0.955 101 D HN 0.158 nan 8.370 nan 0.000 0.505 102 M N -0.069 119.377 119.600 -0.257 0.000 2.099 102 M HA -0.142 4.329 4.480 -0.015 0.000 0.262 102 M C 1.716 177.860 176.300 -0.261 0.000 1.067 102 M CA 1.109 56.203 55.300 -0.344 0.000 1.124 102 M CB 0.151 32.370 32.600 -0.635 0.000 1.353 102 M HN -0.115 nan 8.290 nan 0.000 0.410 103 V N 0.675 120.376 119.914 -0.354 0.000 2.343 103 V HA -0.238 3.873 4.120 -0.015 0.000 0.247 103 V C 2.617 178.693 176.094 -0.030 0.000 1.051 103 V CA 1.839 64.079 62.300 -0.101 0.000 1.036 103 V CB -1.534 30.177 31.823 -0.186 0.000 0.654 103 V HN 0.624 nan 8.190 nan 0.000 0.451 104 A N 0.204 122.986 122.820 -0.064 0.000 1.978 104 A HA -0.160 4.151 4.320 -0.015 0.000 0.220 104 A C 2.424 180.005 177.584 -0.005 0.000 1.170 104 A CA 2.053 54.075 52.037 -0.026 0.000 0.636 104 A CB -0.735 18.249 19.000 -0.026 0.000 0.810 104 A HN 0.602 nan 8.150 nan 0.000 0.448 105 A N -0.679 122.143 122.820 0.004 0.000 1.978 105 A HA -0.076 4.235 4.320 -0.015 0.000 0.220 105 A C 2.169 179.778 177.584 0.043 0.000 1.170 105 A CA 2.426 54.480 52.037 0.029 0.000 0.636 105 A CB -0.770 18.259 19.000 0.047 0.000 0.810 105 A HN 0.882 nan 8.150 nan 0.000 0.448 106 T N -4.562 110.022 114.554 0.050 0.000 3.043 106 T HA 0.161 4.502 4.350 -0.015 0.000 0.272 106 T C 1.347 176.027 174.700 -0.034 0.000 0.990 106 T CA 0.529 62.641 62.100 0.020 0.000 0.897 106 T CB 0.233 69.123 68.868 0.036 0.000 1.111 106 T HN 0.311 nan 8.240 nan 0.000 0.529 107 E N 2.802 122.984 120.200 -0.030 0.000 2.169 107 E HA -0.138 4.203 4.350 -0.015 0.000 0.202 107 E C -0.860 175.696 176.600 -0.073 0.000 1.016 107 E CA 1.768 58.129 56.400 -0.065 0.000 0.817 107 E CB -0.902 28.783 29.700 -0.026 0.000 0.736 107 E HN 0.439 nan 8.360 nan 0.000 0.462 108 P HA -0.007 nan 4.420 nan 0.000 0.237 108 P C 1.119 178.480 177.300 0.101 0.000 1.178 108 P CA 0.764 63.903 63.100 0.065 0.000 0.766 108 P CB -0.409 31.316 31.700 0.041 0.000 0.876 109 C N -4.554 114.725 119.300 -0.035 0.000 3.125 109 C HA 0.593 5.044 4.460 -0.015 0.000 0.284 109 C C 0.499 175.381 174.990 -0.180 0.000 1.386 109 C CA -0.420 58.575 59.018 -0.040 0.000 1.763 109 C CB -1.263 26.441 27.740 -0.061 0.000 2.377 109 C HN 0.176 nan 8.230 nan 0.000 0.620 110 T N 1.043 115.320 114.554 -0.462 0.000 3.087 110 T HA 0.440 4.781 4.350 -0.015 0.000 0.351 110 T C -2.503 171.803 174.700 -0.656 0.000 1.520 110 T CA -0.254 61.522 62.100 -0.541 0.000 1.111 110 T CB 2.075 70.787 68.868 -0.261 0.000 1.353 110 T HN -0.061 nan 8.240 nan 0.000 0.481 111 P HA 0.273 nan 4.420 nan 0.000 0.230 111 P C 0.512 177.726 177.300 -0.142 0.000 1.168 111 P CA 0.115 63.061 63.100 -0.256 0.000 0.793 111 P CB 0.077 31.718 31.700 -0.097 0.000 0.851 112 A N 0.193 122.925 122.820 -0.146 0.000 2.346 112 A HA 0.531 4.842 4.320 -0.015 0.000 0.252 112 A C 0.895 178.420 177.584 -0.098 0.000 1.089 112 A CA 0.436 52.410 52.037 -0.106 0.000 0.797 112 A CB -0.242 18.683 19.000 -0.125 0.000 1.047 112 A HN 0.276 nan 8.150 nan 0.000 0.494 113 G N -1.451 107.318 108.800 -0.052 0.000 3.291 113 G HA2 0.508 4.459 3.960 -0.015 0.000 0.173 113 G HA3 0.508 4.459 3.960 -0.015 0.000 0.173 113 G C -1.297 173.584 174.900 -0.032 0.000 1.099 113 G CA -0.710 44.395 45.100 0.008 0.000 0.794 113 G HN 0.663 nan 8.290 nan 0.000 0.651 114 W N 0.260 121.574 121.300 0.024 0.000 2.578 114 W HA 0.748 5.399 4.660 -0.015 0.000 0.346 114 W C 0.284 176.900 176.519 0.163 0.000 1.075 114 W CA -0.008 57.384 57.345 0.078 0.000 1.233 114 W CB 2.054 31.550 29.460 0.060 0.000 1.358 114 W HN 0.641 nan 8.180 nan 0.000 0.574 115 A N 2.692 125.709 122.820 0.328 0.000 2.387 115 A HA 0.859 5.169 4.320 -0.015 0.000 0.303 115 A C -0.425 177.291 177.584 0.220 0.000 1.145 115 A CA -0.692 51.478 52.037 0.222 0.000 0.801 115 A CB 1.391 20.454 19.000 0.106 0.000 1.342 115 A HN 0.639 nan 8.150 nan 0.000 0.440 116 M N 1.645 121.294 119.600 0.082 0.000 2.875 116 M HA 0.230 4.701 4.480 -0.015 0.000 0.403 116 M C -0.884 175.406 176.300 -0.017 0.000 1.304 116 M CA 0.338 55.639 55.300 0.001 0.000 0.854 116 M CB -0.682 31.835 32.600 -0.137 0.000 1.415 116 M HN 0.551 nan 8.290 nan 0.000 0.505 117 L N 1.102 122.333 121.223 0.014 0.000 2.417 117 L HA 0.348 4.679 4.340 -0.015 0.000 0.268 117 L C 1.089 177.970 176.870 0.018 0.000 1.158 117 L CA -0.343 54.505 54.840 0.012 0.000 0.819 117 L CB 0.320 42.390 42.059 0.018 0.000 1.112 117 L HN 0.293 nan 8.230 nan 0.000 0.458 118 S N 0.454 116.166 115.700 0.021 0.000 2.614 118 S HA 0.043 4.504 4.470 -0.015 0.000 0.265 118 S C 0.710 175.331 174.600 0.035 0.000 1.303 118 S CA -0.582 57.638 58.200 0.033 0.000 1.000 118 S CB 1.367 64.590 63.200 0.040 0.000 0.935 118 S HN 0.741 nan 8.310 nan 0.000 0.551 119 Q N 0.862 120.688 119.800 0.043 0.000 2.152 119 Q HA -0.232 4.099 4.340 -0.015 0.000 0.206 119 Q C 1.511 177.534 176.000 0.038 0.000 0.985 119 Q CA 2.099 57.927 55.803 0.041 0.000 0.863 119 Q CB -0.273 28.492 28.738 0.045 0.000 0.904 119 Q HN 0.925 nan 8.270 nan 0.000 0.422 120 D N -0.972 119.452 120.400 0.041 0.000 2.317 120 D HA -0.144 4.487 4.640 -0.015 0.000 0.211 120 D C 1.214 177.527 176.300 0.022 0.000 0.966 120 D CA 0.615 54.634 54.000 0.032 0.000 0.876 120 D CB 0.049 40.871 40.800 0.036 0.000 0.927 120 D HN 0.112 nan 8.370 nan 0.000 0.519 121 K N 0.098 120.511 120.400 0.022 0.000 2.166 121 K HA 0.061 4.372 4.320 -0.015 0.000 0.201 121 K C 2.090 178.701 176.600 0.018 0.000 1.052 121 K CA 0.072 56.369 56.287 0.017 0.000 0.969 121 K CB -0.422 32.086 32.500 0.014 0.000 0.761 121 K HN 0.177 nan 8.250 nan 0.000 0.459 122 L N 2.151 123.387 121.223 0.022 0.000 2.109 122 L HA -0.038 4.293 4.340 -0.015 0.000 0.207 122 L C 1.858 178.739 176.870 0.019 0.000 1.086 122 L CA 1.675 56.527 54.840 0.021 0.000 0.760 122 L CB -0.327 41.748 42.059 0.026 0.000 0.910 122 L HN 0.132 nan 8.230 nan 0.000 0.437 123 E N 0.060 120.275 120.200 0.024 0.000 2.038 123 E HA -0.208 4.133 4.350 -0.015 0.000 0.195 123 E C -0.423 176.193 176.600 0.027 0.000 1.000 123 E CA 1.675 58.092 56.400 0.028 0.000 0.803 123 E CB -1.262 28.462 29.700 0.039 0.000 0.750 123 E HN 0.443 nan 8.360 nan 0.000 0.448 124 P HA -0.171 nan 4.420 nan 0.000 0.217 124 P C 1.212 178.523 177.300 0.017 0.000 1.148 124 P CA 1.266 64.383 63.100 0.028 0.000 0.828 124 P CB -0.034 31.677 31.700 0.019 0.000 0.783 125 I N -1.636 118.940 120.570 0.010 0.000 2.286 125 I HA -0.177 3.984 4.170 -0.015 0.000 0.245 125 I C 2.337 178.445 176.117 -0.015 0.000 1.104 125 I CA 1.013 62.313 61.300 0.002 0.000 1.397 125 I CB -0.609 37.392 38.000 0.002 0.000 1.072 125 I HN -0.158 nan 8.210 nan 0.000 0.417 126 L N -0.241 120.967 121.223 -0.024 0.000 2.012 126 L HA -0.229 4.102 4.340 -0.015 0.000 0.210 126 L C 2.599 179.442 176.870 -0.044 0.000 1.073 126 L CA 1.178 55.982 54.840 -0.060 0.000 0.748 126 L CB -0.830 41.194 42.059 -0.057 0.000 0.891 126 L HN 0.292 nan 8.230 nan 0.000 0.431 127 L N 0.546 121.763 121.223 -0.010 0.000 2.046 127 L HA -0.110 4.221 4.340 -0.015 0.000 0.208 127 L C 2.669 179.543 176.870 0.007 0.000 1.077 127 L CA 1.942 56.783 54.840 0.002 0.000 0.747 127 L CB -0.726 41.358 42.059 0.041 0.000 0.896 127 L HN 0.134 nan 8.230 nan 0.000 0.432 128 A N -0.819 122.009 122.820 0.013 0.000 1.940 128 A HA -0.303 4.008 4.320 -0.015 0.000 0.219 128 A C 2.290 179.885 177.584 0.019 0.000 1.176 128 A CA 2.005 54.052 52.037 0.016 0.000 0.631 128 A CB -0.695 18.314 19.000 0.014 0.000 0.814 128 A HN 0.651 nan 8.150 nan 0.000 0.446 129 Q N -0.689 119.120 119.800 0.015 0.000 2.212 129 Q HA 0.218 4.549 4.340 -0.015 0.000 0.199 129 Q C 1.945 178.000 176.000 0.092 0.000 0.950 129 Q CA 1.501 57.338 55.803 0.056 0.000 0.863 129 Q CB -0.478 28.257 28.738 -0.005 0.000 0.944 129 Q HN 0.509 nan 8.270 nan 0.000 0.465 130 A N 0.803 123.626 122.820 0.005 0.000 1.877 130 A HA -0.188 4.123 4.320 -0.015 0.000 0.216 130 A C 2.102 179.710 177.584 0.041 0.000 1.186 130 A CA 1.576 53.615 52.037 0.003 0.000 0.620 130 A CB -0.459 18.518 19.000 -0.039 0.000 0.822 130 A HN 0.379 nan 8.150 nan 0.000 0.443 131 R N -0.585 119.930 120.500 0.024 0.000 2.090 131 R HA -0.086 4.245 4.340 -0.015 0.000 0.228 131 R C 2.349 178.651 176.300 0.003 0.000 1.110 131 R CA 1.406 57.514 56.100 0.013 0.000 0.973 131 R CB -0.254 30.052 30.300 0.010 0.000 0.869 131 R HN 0.674 nan 8.270 nan 0.000 0.440 132 K N 0.484 120.884 120.400 0.000 0.000 2.148 132 K HA -0.155 4.156 4.320 -0.015 0.000 0.204 132 K C 0.874 177.344 176.600 -0.217 0.000 1.050 132 K CA 1.541 57.772 56.287 -0.094 0.000 0.942 132 K CB -0.000 32.444 32.500 -0.092 0.000 0.724 132 K HN 0.271 nan 8.250 nan 0.000 0.446 133 H N -1.282 117.776 119.070 -0.019 0.000 2.533 133 H HA 0.196 4.756 4.556 0.005 0.000 0.271 133 H C 0.813 176.134 175.328 -0.012 0.000 1.000 133 H CA 0.784 56.824 56.048 -0.014 0.000 1.149 133 H CB 0.905 30.657 29.762 -0.018 0.000 1.375 133 H HN 0.586 nan 8.280 nan 0.000 0.582 134 G N -0.648 108.178 108.800 0.043 0.000 2.184 134 G HA2 -0.209 3.741 3.960 -0.015 0.000 0.206 134 G HA3 -0.209 3.741 3.960 -0.015 0.000 0.206 134 G C 0.854 175.766 174.900 0.019 0.000 0.995 134 G CA -0.206 44.908 45.100 0.023 0.000 0.651 134 G HN 0.734 nan 8.290 nan 0.000 0.511 135 G N -0.148 108.665 108.800 0.022 0.000 2.667 135 G HA2 0.740 4.690 3.960 -0.015 0.000 0.250 135 G HA3 0.740 4.690 3.960 -0.015 0.000 0.250 135 G C 0.151 175.046 174.900 -0.009 0.000 1.212 135 G CA 0.703 45.804 45.100 0.001 0.000 0.874 135 G HN 1.701 nan 8.290 nan 0.000 0.561 136 A N -0.486 122.320 122.820 -0.024 0.000 2.587 136 A HA 0.757 5.067 4.320 -0.015 0.000 0.293 136 A C -1.236 176.310 177.584 -0.064 0.000 1.087 136 A CA -0.545 51.474 52.037 -0.030 0.000 0.692 136 A CB 1.620 20.609 19.000 -0.018 0.000 1.291 136 A HN 1.216 nan 8.150 nan 0.000 0.407 137 I N -0.268 120.250 120.570 -0.087 0.000 2.827 137 I HA 0.656 4.817 4.170 -0.015 0.000 0.298 137 I C -1.065 174.937 176.117 -0.193 0.000 1.235 137 I CA -0.608 60.577 61.300 -0.192 0.000 1.021 137 I CB 1.931 39.739 38.000 -0.320 0.000 1.259 137 I HN 0.726 nan 8.210 nan 0.000 0.427 138 R N 5.924 126.279 120.500 -0.242 0.000 2.435 138 R HA 0.468 4.799 4.340 -0.015 0.000 0.308 138 R C -1.443 174.751 176.300 -0.177 0.000 0.975 138 R CA -0.523 55.507 56.100 -0.118 0.000 0.867 138 R CB 1.424 31.724 30.300 -0.000 0.000 1.171 138 R HN 0.370 nan 8.270 nan 0.000 0.470 139 F N 0.354 120.315 119.950 0.018 0.000 2.399 139 F HA 0.279 4.795 4.527 -0.018 0.000 0.313 139 F C 1.797 177.608 175.800 0.018 0.000 1.202 139 F CA 0.825 58.832 58.000 0.010 0.000 1.192 139 F CB 0.909 39.909 39.000 -0.000 0.000 1.256 139 F HN 0.779 nan 8.300 nan 0.000 0.558 140 G N 0.869 109.814 108.800 0.243 0.000 2.203 140 G HA2 -0.250 3.701 3.960 -0.015 0.000 0.263 140 G HA3 -0.250 3.701 3.960 -0.015 0.000 0.263 140 G C -0.133 174.823 174.900 0.093 0.000 1.012 140 G CA 0.434 45.614 45.100 0.133 0.000 0.749 140 G HN 0.713 nan 8.290 nan 0.000 0.512 141 T N -0.262 114.338 114.554 0.077 0.000 2.786 141 T HA 0.631 4.972 4.350 -0.015 0.000 0.283 141 T C -0.002 174.702 174.700 0.006 0.000 0.992 141 T CA -0.607 61.520 62.100 0.046 0.000 0.954 141 T CB 2.193 71.093 68.868 0.054 0.000 0.934 141 T HN 0.542 nan 8.240 nan 0.000 0.440 142 R N 2.907 123.399 120.500 -0.013 0.000 2.534 142 R HA 0.564 4.895 4.340 -0.015 0.000 0.301 142 R C -1.001 175.272 176.300 -0.044 0.000 0.961 142 R CA -1.002 55.087 56.100 -0.018 0.000 0.871 142 R CB 1.021 31.319 30.300 -0.004 0.000 1.170 142 R HN 0.508 nan 8.270 nan 0.000 0.446 143 L N 5.851 127.056 121.223 -0.030 0.000 2.418 143 L HA 0.143 4.474 4.340 -0.015 0.000 0.274 143 L C 0.145 177.014 176.870 -0.002 0.000 1.135 143 L CA 0.431 55.260 54.840 -0.019 0.000 0.870 143 L CB 0.715 42.783 42.059 0.015 0.000 1.154 143 L HN 0.845 nan 8.230 nan 0.000 0.462 144 L N 3.279 124.492 121.223 -0.017 0.000 2.200 144 L HA 0.227 4.558 4.340 -0.015 0.000 0.200 144 L C 0.780 177.648 176.870 -0.005 0.000 1.072 144 L CA 0.807 55.639 54.840 -0.015 0.000 0.787 144 L CB -0.287 41.751 42.059 -0.034 0.000 0.957 144 L HN 0.879 nan 8.230 nan 0.000 0.459 145 S N -0.967 114.742 115.700 0.015 0.000 2.643 145 S HA 0.538 4.999 4.470 -0.015 0.000 0.266 145 S C -1.223 173.431 174.600 0.091 0.000 1.130 145 S CA -0.950 57.235 58.200 -0.026 0.000 0.817 145 S CB 1.592 64.716 63.200 -0.127 0.000 1.107 145 S HN 0.109 nan 8.310 nan 0.000 0.471 146 F N -1.340 118.589 119.950 -0.035 0.000 2.668 146 F HA 0.879 5.398 4.527 -0.014 0.000 0.309 146 F C -0.822 174.956 175.800 -0.037 0.000 1.117 146 F CA -1.139 56.844 58.000 -0.029 0.000 0.951 146 F CB 1.340 40.322 39.000 -0.029 0.000 1.323 146 F HN 0.765 nan 8.300 nan 0.000 0.451 147 R N 1.380 121.975 120.500 0.160 0.000 2.803 147 R HA 0.506 4.837 4.340 -0.015 0.000 0.276 147 R C -1.078 175.253 176.300 0.052 0.000 0.978 147 R CA -1.099 55.010 56.100 0.016 0.000 0.939 147 R CB 2.501 32.757 30.300 -0.073 0.000 1.179 147 R HN 0.739 nan 8.270 nan 0.000 0.472 148 Q N 1.429 121.183 119.800 -0.077 0.000 2.257 148 Q HA 0.357 4.688 4.340 -0.015 0.000 0.262 148 Q C -0.890 174.916 176.000 -0.324 0.000 0.997 148 Q CA -0.715 55.044 55.803 -0.074 0.000 0.873 148 Q CB 2.230 30.967 28.738 -0.002 0.000 1.312 148 Q HN 0.513 nan 8.270 nan 0.000 0.450 149 H N 1.356 120.425 119.070 -0.003 0.000 2.727 149 H HA 0.176 4.723 4.556 -0.015 0.000 0.330 149 H C -1.039 174.281 175.328 -0.013 0.000 0.986 149 H CA -0.683 55.364 56.048 -0.002 0.000 1.251 149 H CB 1.262 31.031 29.762 0.012 0.000 1.493 149 H HN 0.638 nan 8.280 nan 0.000 0.515 150 D N 1.851 122.288 120.400 0.062 0.000 2.390 150 D HA -0.083 4.548 4.640 -0.015 0.000 0.236 150 D C 0.673 177.001 176.300 0.046 0.000 1.189 150 D CA -0.109 53.910 54.000 0.033 0.000 0.887 150 D CB 1.010 41.820 40.800 0.016 0.000 1.198 150 D HN 0.420 nan 8.370 nan 0.000 0.444 151 D N 0.141 120.556 120.400 0.026 0.000 2.133 151 D HA -0.180 4.451 4.640 -0.015 0.000 0.195 151 D C 1.260 177.574 176.300 0.023 0.000 0.997 151 D CA 1.152 55.166 54.000 0.024 0.000 0.840 151 D CB -0.135 40.675 40.800 0.017 0.000 0.947 151 D HN 0.435 nan 8.370 nan 0.000 0.452 152 D N 0.434 120.846 120.400 0.021 0.000 2.126 152 D HA -0.197 4.434 4.640 -0.015 0.000 0.190 152 D C 1.680 177.992 176.300 0.020 0.000 1.001 152 D CA 1.580 55.590 54.000 0.017 0.000 0.841 152 D CB -0.160 40.651 40.800 0.017 0.000 0.949 152 D HN 0.251 nan 8.370 nan 0.000 0.446 153 A N 0.123 122.967 122.820 0.040 0.000 2.251 153 A HA 0.402 4.713 4.320 -0.015 0.000 0.209 153 A C 1.240 178.847 177.584 0.040 0.000 1.187 153 A CA 1.035 53.103 52.037 0.053 0.000 0.823 153 A CB 0.299 19.361 19.000 0.103 0.000 0.846 153 A HN 0.363 nan 8.150 nan 0.000 0.486 154 G N -1.398 107.424 108.800 0.036 0.000 3.454 154 G HA2 0.500 4.451 3.960 -0.015 0.000 0.162 154 G HA3 0.500 4.451 3.960 -0.015 0.000 0.162 154 G C 0.026 174.941 174.900 0.025 0.000 1.223 154 G CA 0.308 45.427 45.100 0.031 0.000 1.394 154 G HN 0.766 nan 8.290 nan 0.000 0.709 155 A N -0.869 121.987 122.820 0.060 0.000 2.257 155 A HA 0.914 5.225 4.320 -0.015 0.000 0.289 155 A C 0.547 178.210 177.584 0.132 0.000 1.095 155 A CA 0.692 52.771 52.037 0.071 0.000 0.836 155 A CB 0.872 19.873 19.000 0.002 0.000 1.111 155 A HN 2.307 nan 8.150 nan 0.000 0.497 156 G N -2.062 106.766 108.800 0.047 0.000 2.325 156 G HA2 0.526 4.477 3.960 -0.015 0.000 0.295 156 G HA3 0.526 4.477 3.960 -0.015 0.000 0.295 156 G C -1.809 173.095 174.900 0.007 0.000 1.274 156 G CA 0.118 45.168 45.100 -0.085 0.000 0.857 156 G HN 1.410 nan 8.290 nan 0.000 0.499 157 V N 0.124 120.018 119.914 -0.033 0.000 2.686 157 V HA 0.678 4.789 4.120 -0.015 0.000 0.306 157 V C -0.324 175.833 176.094 0.104 0.000 1.065 157 V CA -0.656 61.688 62.300 0.072 0.000 0.894 157 V CB 1.795 33.582 31.823 -0.059 0.000 1.004 157 V HN 0.865 nan 8.190 nan 0.000 0.424 158 T N 4.057 118.743 114.554 0.221 0.000 2.771 158 T HA 0.762 5.102 4.350 -0.015 0.000 0.281 158 T C -0.007 174.788 174.700 0.158 0.000 0.982 158 T CA -0.198 62.002 62.100 0.166 0.000 0.978 158 T CB 1.516 70.516 68.868 0.220 0.000 0.930 158 T HN 1.006 nan 8.240 nan 0.000 0.447 159 A N 3.402 126.281 122.820 0.098 0.000 2.365 159 A HA 0.820 5.131 4.320 -0.015 0.000 0.318 159 A C -0.266 177.329 177.584 0.018 0.000 1.091 159 A CA -0.953 51.138 52.037 0.091 0.000 0.763 159 A CB 1.198 20.221 19.000 0.040 0.000 1.248 159 A HN 0.808 nan 8.150 nan 0.000 0.442 160 R N 1.906 122.407 120.500 0.001 0.000 2.393 160 R HA 0.739 5.070 4.340 -0.015 0.000 0.310 160 R C -1.643 174.564 176.300 -0.155 0.000 0.968 160 R CA -0.350 55.702 56.100 -0.080 0.000 0.867 160 R CB 0.662 30.938 30.300 -0.041 0.000 1.124 160 R HN 0.668 nan 8.270 nan 0.000 0.450 161 L N 2.665 123.680 121.223 -0.346 0.000 2.323 161 L HA 0.745 5.076 4.340 -0.015 0.000 0.265 161 L C -0.656 176.014 176.870 -0.334 0.000 1.012 161 L CA -1.213 53.393 54.840 -0.390 0.000 0.820 161 L CB 2.336 44.029 42.059 -0.610 0.000 1.334 161 L HN 0.778 nan 8.230 nan 0.000 0.427 162 A N 0.870 123.589 122.820 -0.168 0.000 2.328 162 A HA 0.755 5.066 4.320 -0.015 0.000 0.318 162 A C 0.048 177.633 177.584 0.001 0.000 1.347 162 A CA -0.208 51.791 52.037 -0.063 0.000 0.842 162 A CB 0.517 19.500 19.000 -0.028 0.000 1.148 162 A HN 0.778 nan 8.150 nan 0.000 0.499 163 G N 1.409 110.262 108.800 0.088 0.000 2.606 163 G HA2 0.567 4.518 3.960 -0.015 0.000 0.262 163 G HA3 0.567 4.518 3.960 -0.015 0.000 0.262 163 G C -1.647 173.321 174.900 0.113 0.000 1.394 163 G CA -1.111 44.082 45.100 0.155 0.000 1.044 163 G HN 0.352 nan 8.290 nan 0.000 0.553 164 P HA 0.096 nan 4.420 nan 0.000 0.221 164 P C 0.567 177.904 177.300 0.062 0.000 1.155 164 P CA 0.751 63.892 63.100 0.069 0.000 0.812 164 P CB 0.366 32.102 31.700 0.059 0.000 0.801 165 D N -0.483 119.960 120.400 0.073 0.000 2.336 165 D HA 0.239 4.870 4.640 -0.015 0.000 0.228 165 D C 1.309 177.655 176.300 0.076 0.000 1.120 165 D CA 0.632 54.666 54.000 0.057 0.000 0.839 165 D CB 0.067 40.886 40.800 0.032 0.000 0.932 165 D HN 0.106 nan 8.370 nan 0.000 0.509 166 G N 1.136 109.991 108.800 0.091 0.000 2.545 166 G HA2 -0.221 3.730 3.960 -0.015 0.000 0.216 166 G HA3 -0.221 3.730 3.960 -0.015 0.000 0.216 166 G C -0.470 174.511 174.900 0.136 0.000 1.314 166 G CA -0.844 44.310 45.100 0.089 0.000 0.906 166 G HN 0.213 nan 8.290 nan 0.000 0.563 167 E N -0.064 120.196 120.200 0.099 0.000 2.343 167 E HA 0.592 4.933 4.350 -0.015 0.000 0.269 167 E C -0.312 176.393 176.600 0.176 0.000 1.047 167 E CA 0.217 56.657 56.400 0.067 0.000 0.874 167 E CB 1.004 30.714 29.700 0.017 0.000 1.033 167 E HN 0.807 nan 8.360 nan 0.000 0.409 168 Y N -1.304 119.006 120.300 0.017 0.000 2.677 168 Y HA 0.420 4.960 4.550 -0.016 0.000 0.334 168 Y C -1.460 174.454 175.900 0.022 0.000 1.196 168 Y CA -1.477 56.633 58.100 0.017 0.000 1.059 168 Y CB 0.963 39.432 38.460 0.014 0.000 1.315 168 Y HN 0.193 nan 8.280 nan 0.000 0.455 169 D N 1.574 122.081 120.400 0.178 0.000 2.193 169 D HA 0.591 5.222 4.640 -0.015 0.000 0.249 169 D C -1.473 174.941 176.300 0.190 0.000 1.034 169 D CA -0.094 53.968 54.000 0.103 0.000 0.902 169 D CB 2.245 43.097 40.800 0.087 0.000 1.182 169 D HN 0.662 nan 8.370 nan 0.000 0.436 170 L N 1.702 122.993 121.223 0.114 0.000 2.438 170 L HA 0.408 4.739 4.340 -0.015 0.000 0.270 170 L C -0.785 176.126 176.870 0.069 0.000 0.972 170 L CA -0.561 54.352 54.840 0.122 0.000 0.831 170 L CB 1.510 43.650 42.059 0.134 0.000 1.273 170 L HN 0.218 nan 8.230 nan 0.000 0.405 171 R N 3.824 124.363 120.500 0.065 0.000 2.229 171 R HA 0.794 5.125 4.340 -0.015 0.000 0.328 171 R C -0.674 175.629 176.300 0.005 0.000 1.009 171 R CA -0.479 55.648 56.100 0.046 0.000 0.864 171 R CB 1.302 31.656 30.300 0.089 0.000 1.085 171 R HN 0.626 nan 8.270 nan 0.000 0.453 172 A N 1.482 124.242 122.820 -0.100 0.000 2.354 172 A HA 0.586 4.897 4.320 -0.015 0.000 0.321 172 A C 1.063 178.299 177.584 -0.581 0.000 1.125 172 A CA -0.596 51.313 52.037 -0.213 0.000 0.799 172 A CB 1.507 20.441 19.000 -0.111 0.000 1.293 172 A HN 0.782 nan 8.150 nan 0.000 0.452 173 G N -0.862 107.489 108.800 -0.749 0.000 2.448 173 G HA2 0.260 4.211 3.960 -0.015 0.000 0.218 173 G HA3 0.260 4.211 3.960 -0.015 0.000 0.218 173 G C 0.011 174.464 174.900 -0.744 0.000 1.135 173 G CA 0.997 45.577 45.100 -0.867 0.000 0.784 173 G HN 0.571 nan 8.290 nan 0.000 0.543 174 Y N -2.147 118.050 120.300 -0.171 0.000 2.571 174 Y HA 0.589 5.130 4.550 -0.015 0.000 0.341 174 Y C -0.720 175.124 175.900 -0.092 0.000 1.076 174 Y CA -1.073 56.985 58.100 -0.070 0.000 1.029 174 Y CB 2.115 40.586 38.460 0.018 0.000 1.308 174 Y HN -0.049 nan 8.280 nan 0.000 0.461 175 L N 2.514 123.772 121.223 0.059 0.000 2.381 175 L HA 0.848 5.179 4.340 -0.015 0.000 0.274 175 L C -1.770 175.094 176.870 -0.010 0.000 0.988 175 L CA -0.806 53.991 54.840 -0.071 0.000 0.824 175 L CB 1.314 43.194 42.059 -0.297 0.000 1.263 175 L HN 0.510 nan 8.230 nan 0.000 0.410 176 V N 3.847 123.746 119.914 -0.025 0.000 2.448 176 V HA 0.561 4.672 4.120 -0.015 0.000 0.295 176 V C 0.507 176.572 176.094 -0.047 0.000 1.025 176 V CA -0.432 61.867 62.300 -0.003 0.000 0.859 176 V CB 1.612 33.407 31.823 -0.046 0.000 0.988 176 V HN 0.868 nan 8.190 nan 0.000 0.431 177 G N 3.127 111.906 108.800 -0.036 0.000 2.504 177 G HA2 0.541 4.492 3.960 -0.015 0.000 0.326 177 G HA3 0.541 4.492 3.960 -0.015 0.000 0.326 177 G C 0.270 175.146 174.900 -0.039 0.000 1.073 177 G CA 0.199 45.267 45.100 -0.053 0.000 1.030 177 G HN 1.023 nan 8.290 nan 0.000 0.448 178 A N 2.844 125.642 122.820 -0.038 0.000 2.713 178 A HA 0.315 4.626 4.320 -0.015 0.000 0.296 178 A C 0.989 178.554 177.584 -0.031 0.000 1.255 178 A CA -0.246 51.772 52.037 -0.032 0.000 0.955 178 A CB 0.164 19.149 19.000 -0.024 0.000 1.149 178 A HN 0.554 nan 8.150 nan 0.000 0.538 179 D N -0.193 120.187 120.400 -0.033 0.000 2.434 179 D HA 0.380 5.011 4.640 -0.015 0.000 0.232 179 D C 0.799 177.085 176.300 -0.023 0.000 1.166 179 D CA 0.600 54.586 54.000 -0.024 0.000 0.830 179 D CB -0.406 40.385 40.800 -0.016 0.000 0.960 179 D HN 0.825 nan 8.370 nan 0.000 0.497 180 G N 1.642 110.423 108.800 -0.031 0.000 2.685 180 G HA2 -0.297 3.654 3.960 -0.015 0.000 0.387 180 G HA3 -0.297 3.654 3.960 -0.015 0.000 0.387 180 G C 0.606 175.486 174.900 -0.033 0.000 1.324 180 G CA -0.144 44.939 45.100 -0.030 0.000 0.878 180 G HN 0.377 nan 8.290 nan 0.000 0.527 181 N N -0.668 118.019 118.700 -0.021 0.000 2.120 181 N HA -0.096 4.635 4.740 -0.015 0.000 0.188 181 N C 1.427 176.930 175.510 -0.010 0.000 1.024 181 N CA 1.309 54.350 53.050 -0.014 0.000 0.852 181 N CB -0.040 38.457 38.487 0.018 0.000 1.003 181 N HN 0.586 nan 8.380 nan 0.000 0.424 182 R N 1.284 121.783 120.500 -0.001 0.000 4.680 182 R HA 0.132 4.463 4.340 -0.015 0.000 0.222 182 R C -0.353 175.947 176.300 0.001 0.000 1.803 182 R CA -0.173 55.930 56.100 0.005 0.000 1.560 182 R CB 0.028 30.336 30.300 0.014 0.000 1.412 182 R HN 0.190 nan 8.270 nan 0.000 0.815 183 S N 1.356 117.051 115.700 -0.008 0.000 2.443 183 S HA 0.024 4.485 4.470 -0.015 0.000 0.284 183 S C 1.478 176.087 174.600 0.015 0.000 1.206 183 S CA -0.521 57.675 58.200 -0.007 0.000 1.074 183 S CB 0.474 63.657 63.200 -0.028 0.000 0.963 183 S HN 0.621 nan 8.310 nan 0.000 0.501 184 L N 6.245 127.483 121.223 0.025 0.000 2.051 184 L HA -0.137 4.194 4.340 -0.015 0.000 0.214 184 L C 1.906 178.831 176.870 0.092 0.000 1.076 184 L CA 1.959 56.827 54.840 0.047 0.000 0.758 184 L CB -0.407 41.682 42.059 0.050 0.000 0.890 184 L HN 0.682 nan 8.230 nan 0.000 0.433 185 V N 0.018 119.991 119.914 0.098 0.000 2.261 185 V HA -0.301 3.810 4.120 -0.015 0.000 0.246 185 V C 2.713 178.887 176.094 0.134 0.000 1.047 185 V CA 2.312 64.709 62.300 0.160 0.000 1.015 185 V CB -0.818 31.026 31.823 0.035 0.000 0.642 185 V HN 0.546 nan 8.190 nan 0.000 0.446 186 R N 0.081 120.610 120.500 0.048 0.000 2.075 186 R HA -0.218 4.113 4.340 -0.015 0.000 0.232 186 R C 2.302 178.624 176.300 0.036 0.000 1.126 186 R CA 2.085 58.199 56.100 0.023 0.000 0.963 186 R CB -0.184 30.099 30.300 -0.028 0.000 0.858 186 R HN 0.588 nan 8.270 nan 0.000 0.435 187 E N -0.017 120.201 120.200 0.031 0.000 2.106 187 E HA -0.087 4.254 4.350 -0.015 0.000 0.192 187 E C 1.773 178.383 176.600 0.018 0.000 0.984 187 E CA 1.586 57.999 56.400 0.021 0.000 0.806 187 E CB 0.065 29.774 29.700 0.015 0.000 0.750 187 E HN 0.232 nan 8.360 nan 0.000 0.458 188 S N -0.090 115.630 115.700 0.032 0.000 2.419 188 S HA -0.070 4.391 4.470 -0.015 0.000 0.233 188 S C 1.596 176.180 174.600 -0.026 0.000 1.016 188 S CA 0.742 58.931 58.200 -0.020 0.000 0.974 188 S CB -0.091 63.072 63.200 -0.061 0.000 0.786 188 S HN 0.280 nan 8.310 nan 0.000 0.492 189 L N 0.517 121.772 121.223 0.053 0.000 2.558 189 L HA 0.212 4.543 4.340 -0.015 0.000 0.225 189 L C 1.426 178.311 176.870 0.025 0.000 1.128 189 L CA 0.227 55.101 54.840 0.056 0.000 0.868 189 L CB -0.501 41.624 42.059 0.111 0.000 1.006 189 L HN 0.437 nan 8.230 nan 0.000 0.454 190 G N 1.605 110.415 108.800 0.017 0.000 2.272 190 G HA2 -0.279 3.672 3.960 -0.015 0.000 0.280 190 G HA3 -0.279 3.672 3.960 -0.015 0.000 0.280 190 G C 0.010 174.925 174.900 0.026 0.000 1.067 190 G CA -0.121 44.987 45.100 0.014 0.000 0.902 190 G HN 0.307 nan 8.290 nan 0.000 0.500 191 I N 1.065 121.655 120.570 0.033 0.000 2.331 191 I HA 0.490 4.651 4.170 -0.015 0.000 0.292 191 I C 1.303 177.449 176.117 0.049 0.000 0.998 191 I CA -0.264 61.063 61.300 0.046 0.000 1.267 191 I CB 1.368 39.397 38.000 0.049 0.000 1.386 191 I HN 0.206 nan 8.210 nan 0.000 0.476 192 G N 5.730 114.570 108.800 0.067 0.000 2.537 192 G HA2 0.570 4.521 3.960 -0.015 0.000 0.273 192 G HA3 0.570 4.521 3.960 -0.015 0.000 0.273 192 G C -0.344 174.619 174.900 0.105 0.000 1.189 192 G CA -0.557 44.588 45.100 0.075 0.000 0.881 192 G HN 0.578 nan 8.290 nan 0.000 0.535 193 R N -1.117 119.437 120.500 0.090 0.000 2.787 193 R HA 0.577 4.907 4.340 -0.015 0.000 0.271 193 R C -0.964 175.430 176.300 0.157 0.000 0.993 193 R CA -0.707 55.444 56.100 0.085 0.000 0.993 193 R CB 1.761 32.051 30.300 -0.016 0.000 1.155 193 R HN 0.737 nan 8.270 nan 0.000 0.486 194 Y N -1.887 118.445 120.300 0.054 0.000 2.633 194 Y HA 0.903 5.444 4.550 -0.015 0.000 0.339 194 Y C 0.125 176.060 175.900 0.059 0.000 1.045 194 Y CA -0.878 57.254 58.100 0.053 0.000 1.098 194 Y CB 1.701 40.195 38.460 0.057 0.000 1.296 194 Y HN 0.810 nan 8.280 nan 0.000 0.494 195 G N -0.085 108.818 108.800 0.171 0.000 2.343 195 G HA2 -0.147 3.803 3.960 -0.015 0.000 0.465 195 G HA3 -0.147 3.803 3.960 -0.015 0.000 0.465 195 G C -0.445 174.536 174.900 0.135 0.000 1.282 195 G CA -0.095 45.067 45.100 0.103 0.000 0.996 195 G HN 1.251 nan 8.290 nan 0.000 0.521 196 H N 0.099 119.213 119.070 0.074 0.000 2.426 196 H HA 0.263 4.810 4.556 -0.015 0.000 0.298 196 H C 1.942 177.317 175.328 0.078 0.000 1.107 196 H CA 3.892 60.017 56.048 0.128 0.000 1.298 196 H CB -0.270 29.604 29.762 0.185 0.000 1.377 196 H HN 2.365 nan 8.280 nan 0.000 0.519 197 G N -1.239 107.578 108.800 0.028 0.000 2.542 197 G HA2 -0.289 3.662 3.960 -0.015 0.000 0.235 197 G HA3 -0.289 3.662 3.960 -0.015 0.000 0.235 197 G C -0.145 174.753 174.900 -0.003 0.000 1.286 197 G CA -0.176 44.904 45.100 -0.033 0.000 0.904 197 G HN 0.524 nan 8.290 nan 0.000 0.577 198 T N 0.825 115.357 114.554 -0.037 0.000 2.891 198 T HA 0.223 4.564 4.350 -0.015 0.000 0.296 198 T C 1.488 176.211 174.700 0.038 0.000 1.025 198 T CA 1.204 63.274 62.100 -0.049 0.000 1.149 198 T CB 0.881 69.727 68.868 -0.036 0.000 1.007 198 T HN 1.153 nan 8.240 nan 0.000 0.528 199 L N 3.593 124.784 121.223 -0.053 0.000 2.379 199 L HA 0.455 4.785 4.340 -0.015 0.000 0.190 199 L C 0.947 177.739 176.870 -0.130 0.000 1.111 199 L CA 1.060 55.869 54.840 -0.053 0.000 0.820 199 L CB 0.428 42.279 42.059 -0.347 0.000 1.046 199 L HN 0.698 nan 8.230 nan 0.000 0.485 200 T N -1.566 112.811 114.554 -0.296 0.000 2.769 200 T HA 0.398 4.739 4.350 -0.015 0.000 0.306 200 T C -1.706 172.755 174.700 -0.399 0.000 1.400 200 T CA -0.641 61.334 62.100 -0.209 0.000 1.007 200 T CB 0.702 69.493 68.868 -0.129 0.000 1.392 200 T HN 0.334 nan 8.240 nan 0.000 0.500 201 H N 1.153 120.044 119.070 -0.298 0.000 2.622 201 H HA 0.752 5.299 4.556 -0.015 0.000 0.363 201 H C -0.693 174.366 175.328 -0.448 0.000 1.151 201 H CA -0.810 54.976 56.048 -0.437 0.000 1.184 201 H CB 2.223 31.534 29.762 -0.752 0.000 1.643 201 H HN 0.518 nan 8.280 nan 0.000 0.531 202 M N 1.553 121.154 119.600 0.001 0.000 2.520 202 M HA 0.301 4.772 4.480 -0.015 0.000 0.280 202 M C -1.792 174.726 176.300 0.364 0.000 1.232 202 M CA -0.724 54.706 55.300 0.216 0.000 0.892 202 M CB 2.860 35.571 32.600 0.186 0.000 1.728 202 M HN 0.266 nan 8.290 nan 0.000 0.475 203 V N 2.215 122.230 119.914 0.168 0.000 2.417 203 V HA 0.740 4.851 4.120 -0.015 0.000 0.291 203 V C 0.309 176.386 176.094 -0.029 0.000 1.024 203 V CA -0.629 61.623 62.300 -0.080 0.000 0.861 203 V CB 1.506 32.843 31.823 -0.810 0.000 0.985 203 V HN 0.933 nan 8.190 nan 0.000 0.436 204 G N 3.484 112.254 108.800 -0.050 0.000 2.356 204 G HA2 0.580 4.530 3.960 -0.015 0.000 0.298 204 G HA3 0.580 4.530 3.960 -0.015 0.000 0.298 204 G C -0.987 173.700 174.900 -0.356 0.000 1.145 204 G CA -0.324 44.446 45.100 -0.550 0.000 0.850 204 G HN 0.581 nan 8.290 nan 0.000 0.487 205 V N 3.551 123.245 119.914 -0.366 0.000 2.482 205 V HA 0.341 4.452 4.120 -0.015 0.000 0.295 205 V C -0.173 175.863 176.094 -0.097 0.000 1.026 205 V CA -0.565 61.654 62.300 -0.134 0.000 0.856 205 V CB 1.457 33.282 31.823 0.004 0.000 1.001 205 V HN 0.663 nan 8.190 nan 0.000 0.424 206 I N 6.418 126.900 120.570 -0.148 0.000 2.353 206 I HA 0.627 4.788 4.170 -0.015 0.000 0.293 206 I C -0.416 175.692 176.117 -0.015 0.000 0.992 206 I CA -0.232 60.950 61.300 -0.195 0.000 1.268 206 I CB 0.969 38.768 38.000 -0.336 0.000 1.387 206 I HN 0.710 nan 8.210 nan 0.000 0.478 207 F N 3.020 122.921 119.950 -0.082 0.000 2.645 207 F HA 0.661 5.179 4.527 -0.014 0.000 0.310 207 F C -1.542 174.257 175.800 -0.002 0.000 1.102 207 F CA -1.239 56.747 58.000 -0.024 0.000 0.952 207 F CB 1.073 40.081 39.000 0.013 0.000 1.326 207 F HN 0.161 nan 8.300 nan 0.000 0.456 208 D N 1.444 121.983 120.400 0.232 0.000 2.256 208 D HA 0.761 5.392 4.640 -0.015 0.000 0.246 208 D C -1.021 175.467 176.300 0.313 0.000 1.042 208 D CA -0.075 53.996 54.000 0.117 0.000 0.841 208 D CB 1.881 42.712 40.800 0.052 0.000 1.223 208 D HN 1.041 nan 8.370 nan 0.000 0.470 209 A N 1.742 124.752 122.820 0.317 0.000 2.573 209 A HA 0.364 4.675 4.320 -0.015 0.000 0.299 209 A C -1.622 176.161 177.584 0.331 0.000 1.060 209 A CA -0.876 51.360 52.037 0.331 0.000 0.736 209 A CB 1.306 20.557 19.000 0.418 0.000 1.280 209 A HN 0.355 nan 8.150 nan 0.000 0.401 210 D N 2.101 122.618 120.400 0.195 0.000 2.352 210 D HA 0.387 5.018 4.640 -0.015 0.000 0.245 210 D C 0.176 176.557 176.300 0.136 0.000 1.224 210 D CA -0.196 53.900 54.000 0.160 0.000 0.879 210 D CB 0.779 41.636 40.800 0.094 0.000 1.057 210 D HN 0.213 nan 8.370 nan 0.000 0.491 211 L N 3.306 124.618 121.223 0.149 0.000 2.607 211 L HA 0.092 4.423 4.340 -0.015 0.000 0.228 211 L C 2.245 179.144 176.870 0.048 0.000 1.123 211 L CA 0.319 55.198 54.840 0.066 0.000 0.890 211 L CB -0.971 41.087 42.059 -0.002 0.000 1.103 211 L HN 0.406 nan 8.230 nan 0.000 0.468 212 S N 0.038 115.777 115.700 0.065 0.000 2.413 212 S HA -0.219 4.242 4.470 -0.015 0.000 0.237 212 S C 2.019 176.637 174.600 0.029 0.000 1.044 212 S CA 1.791 60.020 58.200 0.049 0.000 1.024 212 S CB -0.119 63.110 63.200 0.048 0.000 0.829 212 S HN 0.582 nan 8.310 nan 0.000 0.475 213 G N 0.611 109.425 108.800 0.023 0.000 2.453 213 G HA2 0.095 4.046 3.960 -0.015 0.000 0.215 213 G HA3 0.095 4.046 3.960 -0.015 0.000 0.215 213 G C 1.084 175.982 174.900 -0.002 0.000 1.147 213 G CA 0.780 45.886 45.100 0.011 0.000 0.802 213 G HN 0.689 nan 8.290 nan 0.000 0.535 214 I N -2.798 117.765 120.570 -0.013 0.000 4.025 214 I HA 0.545 4.706 4.170 -0.015 0.000 0.336 214 I C 0.248 176.334 176.117 -0.051 0.000 1.390 214 I CA -0.201 61.078 61.300 -0.035 0.000 1.099 214 I CB 0.648 38.616 38.000 -0.053 0.000 1.049 214 I HN -0.119 nan 8.210 nan 0.000 0.394 215 M N 1.818 121.399 119.600 -0.032 0.000 2.197 215 M HA 0.442 4.913 4.480 -0.015 0.000 0.301 215 M C -0.779 175.521 176.300 0.000 0.000 0.987 215 M CA -0.320 54.961 55.300 -0.032 0.000 0.921 215 M CB 2.059 34.640 32.600 -0.032 0.000 1.569 215 M HN 0.104 nan 8.290 nan 0.000 0.431 216 E N 4.469 124.671 120.200 0.004 0.000 2.392 216 E HA 0.172 4.513 4.350 -0.015 0.000 0.264 216 E C -2.322 174.296 176.600 0.030 0.000 1.024 216 E CA -1.418 54.992 56.400 0.016 0.000 0.903 216 E CB -0.132 29.578 29.700 0.016 0.000 0.963 216 E HN 0.348 nan 8.360 nan 0.000 0.432 217 P HA -0.068 nan 4.420 nan 0.000 0.266 217 P C 0.478 177.804 177.300 0.044 0.000 1.186 217 P CA 0.935 64.058 63.100 0.038 0.000 0.767 217 P CB 0.343 32.062 31.700 0.031 0.000 0.820 218 G N 1.476 110.307 108.800 0.051 0.000 2.203 218 G HA2 -0.281 3.670 3.960 -0.015 0.000 0.263 218 G HA3 -0.281 3.670 3.960 -0.015 0.000 0.263 218 G C 0.781 175.718 174.900 0.063 0.000 1.012 218 G CA 0.599 45.733 45.100 0.056 0.000 0.749 218 G HN 0.633 nan 8.290 nan 0.000 0.512 219 T N 0.480 115.079 114.554 0.076 0.000 3.134 219 T HA 0.332 4.673 4.350 -0.015 0.000 0.260 219 T C 1.257 176.050 174.700 0.155 0.000 1.027 219 T CA 0.888 63.050 62.100 0.103 0.000 0.913 219 T CB -0.090 68.838 68.868 0.100 0.000 1.046 219 T HN 0.366 nan 8.240 nan 0.000 0.553 220 T N 1.932 116.557 114.554 0.117 0.000 2.888 220 T HA 0.535 4.876 4.350 -0.015 0.000 0.301 220 T C 0.536 175.192 174.700 -0.075 0.000 1.001 220 T CA 0.305 62.480 62.100 0.125 0.000 1.147 220 T CB 0.767 69.721 68.868 0.143 0.000 0.931 220 T HN 0.553 nan 8.240 nan 0.000 0.541 221 G N 1.894 110.619 108.800 -0.124 0.000 2.321 221 G HA2 0.318 4.269 3.960 -0.015 0.000 0.296 221 G HA3 0.318 4.269 3.960 -0.015 0.000 0.296 221 G C -2.016 172.698 174.900 -0.310 0.000 1.287 221 G CA -0.989 43.597 45.100 -0.856 0.000 0.846 221 G HN 0.660 nan 8.290 nan 0.000 0.508 222 W N 0.848 121.737 121.300 -0.686 0.000 2.351 222 W HA 0.709 5.361 4.660 -0.014 0.000 0.311 222 W C -1.614 174.655 176.519 -0.417 0.000 1.168 222 W CA -0.658 56.536 57.345 -0.251 0.000 1.200 222 W CB 1.213 30.597 29.460 -0.127 0.000 1.221 222 W HN 0.424 nan 8.180 nan 0.000 0.519 223 Y N 4.871 124.734 120.300 -0.728 0.000 2.338 223 Y HA 0.220 4.760 4.550 -0.015 0.000 0.333 223 Y C -0.779 174.742 175.900 -0.632 0.000 0.968 223 Y CA -0.930 56.896 58.100 -0.458 0.000 1.123 223 Y CB 1.220 39.573 38.460 -0.178 0.000 1.165 223 Y HN 0.181 nan 8.280 nan 0.000 0.452 224 Y N 4.034 124.326 120.300 -0.013 0.000 2.383 224 Y HA 0.383 4.924 4.550 -0.015 0.000 0.344 224 Y C -0.243 175.645 175.900 -0.020 0.000 0.986 224 Y CA -0.675 57.417 58.100 -0.014 0.000 1.175 224 Y CB 0.443 38.945 38.460 0.071 0.000 1.152 224 Y HN 0.366 nan 8.280 nan 0.000 0.511 225 L N 5.205 126.415 121.223 -0.021 0.000 2.255 225 L HA 0.318 4.649 4.340 -0.015 0.000 0.289 225 L C -0.219 176.447 176.870 -0.341 0.000 1.046 225 L CA -0.389 54.386 54.840 -0.110 0.000 0.816 225 L CB 0.448 42.447 42.059 -0.099 0.000 1.197 225 L HN 0.646 nan 8.230 nan 0.000 0.427 226 H N 2.555 121.590 119.070 -0.058 0.000 2.572 226 H HA 0.200 4.747 4.556 -0.015 0.000 0.248 226 H C -0.748 174.505 175.328 -0.124 0.000 1.397 226 H CA -0.458 55.542 56.048 -0.079 0.000 1.319 226 H CB 0.586 30.328 29.762 -0.035 0.000 1.452 226 H HN 0.553 nan 8.280 nan 0.000 0.535 227 H N 2.860 121.733 119.070 -0.329 0.000 2.472 227 H HA 0.171 4.718 4.556 -0.015 0.000 0.335 227 H C -1.415 173.805 175.328 -0.181 0.000 1.136 227 H CA -1.794 54.044 56.048 -0.351 0.000 1.264 227 H CB 1.554 30.827 29.762 -0.816 0.000 1.486 227 H HN 0.193 nan 8.280 nan 0.000 0.517 228 P HA -0.190 nan 4.420 nan 0.000 0.215 228 P C 0.727 178.036 177.300 0.016 0.000 1.157 228 P CA 1.520 64.487 63.100 -0.221 0.000 0.874 228 P CB 0.359 31.887 31.700 -0.286 0.000 0.790 229 E N -1.402 118.972 120.200 0.291 0.000 2.158 229 E HA 0.008 4.349 4.350 -0.015 0.000 0.191 229 E C 0.703 177.560 176.600 0.430 0.000 0.982 229 E CA 0.688 57.335 56.400 0.412 0.000 0.823 229 E CB -0.011 30.009 29.700 0.534 0.000 0.766 229 E HN 0.402 nan 8.360 nan 0.000 0.468 230 F N -1.156 118.942 119.950 0.247 0.000 2.686 230 F HA 0.597 5.115 4.527 -0.015 0.000 0.311 230 F C -1.145 174.746 175.800 0.152 0.000 1.128 230 F CA -1.471 56.631 58.000 0.170 0.000 0.946 230 F CB 1.360 40.438 39.000 0.129 0.000 1.336 230 F HN -0.474 nan 8.300 nan 0.000 0.457 231 K N 1.047 121.615 120.400 0.280 0.000 2.244 231 K HA 0.792 5.103 4.320 -0.015 0.000 0.260 231 K C -0.344 176.431 176.600 0.292 0.000 0.951 231 K CA -0.468 55.880 56.287 0.102 0.000 0.826 231 K CB 1.747 34.315 32.500 0.114 0.000 1.108 231 K HN 1.068 nan 8.250 nan 0.000 0.433 232 G N 0.465 109.357 108.800 0.154 0.000 2.650 232 G HA2 0.485 4.436 3.960 -0.015 0.000 0.310 232 G HA3 0.485 4.436 3.960 -0.015 0.000 0.310 232 G C -1.267 173.729 174.900 0.160 0.000 1.270 232 G CA -0.519 44.752 45.100 0.286 0.000 0.810 232 G HN 0.574 nan 8.290 nan 0.000 0.493 233 T N -2.820 111.844 114.554 0.185 0.000 2.843 233 T HA 0.740 5.081 4.350 -0.015 0.000 0.302 233 T C -1.689 172.975 174.700 -0.059 0.000 1.232 233 T CA -0.680 61.358 62.100 -0.102 0.000 1.009 233 T CB 2.280 71.010 68.868 -0.229 0.000 1.254 233 T HN 1.539 nan 8.240 nan 0.000 0.504 234 F N 0.054 119.640 119.950 -0.608 0.000 2.604 234 F HA 0.698 5.217 4.527 -0.014 0.000 0.316 234 F C -0.547 174.992 175.800 -0.435 0.000 1.136 234 F CA -0.066 57.731 58.000 -0.338 0.000 0.989 234 F CB 1.727 40.622 39.000 -0.175 0.000 1.258 234 F HN 1.139 nan 8.300 nan 0.000 0.451 235 G N 4.876 113.179 108.800 -0.828 0.000 2.660 235 G HA2 0.676 4.627 3.960 -0.015 0.000 0.294 235 G HA3 0.676 4.627 3.960 -0.015 0.000 0.294 235 G C -3.430 171.315 174.900 -0.258 0.000 1.369 235 G CA -1.767 43.230 45.100 -0.171 0.000 0.912 235 G HN 0.395 nan 8.290 nan 0.000 0.479 236 P HA 0.388 nan 4.420 nan 0.000 0.276 236 P C 0.024 177.379 177.300 0.092 0.000 1.261 236 P CA -0.034 63.140 63.100 0.124 0.000 0.800 236 P CB 1.786 33.643 31.700 0.263 0.000 1.066 237 T N -3.182 111.382 114.554 0.017 0.000 2.676 237 T HA 0.337 4.678 4.350 -0.015 0.000 0.269 237 T C 0.571 175.278 174.700 0.011 0.000 0.952 237 T CA -0.367 61.736 62.100 0.004 0.000 1.040 237 T CB 0.075 68.901 68.868 -0.070 0.000 1.352 237 T HN 0.348 nan 8.240 nan 0.000 0.554 238 D N -0.781 119.618 120.400 -0.002 0.000 2.349 238 D HA 0.028 4.659 4.640 -0.015 0.000 0.224 238 D C 0.355 176.645 176.300 -0.017 0.000 1.029 238 D CA -0.113 53.886 54.000 -0.001 0.000 0.879 238 D CB -0.167 40.632 40.800 -0.001 0.000 0.906 238 D HN 0.496 nan 8.370 nan 0.000 0.528 239 R N 1.096 121.568 120.500 -0.046 0.000 2.338 239 R HA 0.296 4.627 4.340 -0.015 0.000 0.317 239 R C -1.978 174.276 176.300 -0.077 0.000 0.968 239 R CA -1.792 54.272 56.100 -0.060 0.000 0.849 239 R CB 0.990 31.244 30.300 -0.078 0.000 1.128 239 R HN -0.092 nan 8.270 nan 0.000 0.448 240 P HA -0.178 nan 4.420 nan 0.000 0.226 240 P C 0.052 177.338 177.300 -0.023 0.000 1.146 240 P CA 1.289 64.394 63.100 0.007 0.000 0.773 240 P CB 0.204 31.925 31.700 0.035 0.000 0.772 241 D N -2.104 118.219 120.400 -0.129 0.000 2.431 241 D HA 0.058 4.689 4.640 -0.015 0.000 0.213 241 D C 0.563 176.577 176.300 -0.477 0.000 1.130 241 D CA -0.246 53.663 54.000 -0.152 0.000 0.834 241 D CB 0.450 41.225 40.800 -0.043 0.000 0.985 241 D HN 0.120 nan 8.370 nan 0.000 0.504 242 R N 0.605 120.677 120.500 -0.714 0.000 2.534 242 R HA 0.330 4.661 4.340 -0.015 0.000 0.301 242 R C -1.035 174.654 176.300 -1.018 0.000 0.961 242 R CA -0.442 55.195 56.100 -0.773 0.000 0.871 242 R CB 1.383 31.470 30.300 -0.355 0.000 1.170 242 R HN 0.049 nan 8.270 nan 0.000 0.446 243 H N 0.766 119.469 119.070 -0.612 0.000 2.946 243 H HA 0.357 4.904 4.556 -0.015 0.000 0.365 243 H C -0.627 174.177 175.328 -0.873 0.000 1.197 243 H CA -0.832 54.733 56.048 -0.805 0.000 1.131 243 H CB 2.147 31.306 29.762 -1.004 0.000 1.849 243 H HN 0.673 nan 8.280 nan 0.000 0.555 244 T N -0.526 113.708 114.554 -0.534 0.000 2.863 244 T HA 0.579 4.920 4.350 -0.015 0.000 0.285 244 T C -0.652 173.911 174.700 -0.228 0.000 1.009 244 T CA -0.870 61.031 62.100 -0.332 0.000 0.989 244 T CB 1.604 70.407 68.868 -0.107 0.000 1.004 244 T HN 0.325 nan 8.240 nan 0.000 0.455 245 L N 2.445 123.624 121.223 -0.074 0.000 2.408 245 L HA 0.844 5.174 4.340 -0.015 0.000 0.268 245 L C -2.028 174.777 176.870 -0.108 0.000 0.986 245 L CA -0.812 54.092 54.840 0.107 0.000 0.820 245 L CB 1.625 43.887 42.059 0.338 0.000 1.303 245 L HN 0.805 nan 8.230 nan 0.000 0.411 246 F N 3.875 123.914 119.950 0.149 0.000 2.532 246 F HA 0.786 5.304 4.527 -0.016 0.000 0.321 246 F C -0.504 175.399 175.800 0.172 0.000 1.089 246 F CA -0.770 57.321 58.000 0.152 0.000 0.926 246 F CB 2.433 41.547 39.000 0.189 0.000 1.168 246 F HN 0.135 nan 8.300 nan 0.000 0.459 247 V N 1.894 122.003 119.914 0.326 0.000 2.623 247 V HA 0.251 4.362 4.120 -0.015 0.000 0.304 247 V C -0.412 175.897 176.094 0.358 0.000 1.054 247 V CA -1.039 61.463 62.300 0.336 0.000 0.882 247 V CB 1.740 33.714 31.823 0.251 0.000 1.002 247 V HN 0.744 nan 8.190 nan 0.000 0.424 248 E N 3.402 123.833 120.200 0.386 0.000 2.383 248 E HA 0.458 4.799 4.350 -0.015 0.000 0.264 248 E C -1.382 175.480 176.600 0.436 0.000 1.050 248 E CA -0.185 56.405 56.400 0.318 0.000 0.896 248 E CB 0.900 30.763 29.700 0.272 0.000 0.982 248 E HN 0.691 nan 8.360 nan 0.000 0.424 249 Y N 0.320 120.781 120.300 0.269 0.000 2.552 249 Y HA 0.405 4.946 4.550 -0.015 0.000 0.337 249 Y C -1.492 174.533 175.900 0.208 0.000 1.094 249 Y CA -1.477 56.788 58.100 0.275 0.000 1.028 249 Y CB 1.183 39.868 38.460 0.374 0.000 1.321 249 Y HN 0.232 nan 8.280 nan 0.000 0.456 250 D N 4.426 125.013 120.400 0.311 0.000 2.317 250 D HA 0.392 5.023 4.640 -0.015 0.000 0.234 250 D C -2.040 174.384 176.300 0.206 0.000 1.112 250 D CA -2.491 51.611 54.000 0.171 0.000 0.840 250 D CB 2.082 42.976 40.800 0.156 0.000 1.078 250 D HN 0.402 nan 8.370 nan 0.000 0.486 251 P HA 0.006 nan 4.420 nan 0.000 0.222 251 P C 0.525 177.862 177.300 0.063 0.000 1.153 251 P CA 0.497 63.640 63.100 0.073 0.000 0.798 251 P CB 0.570 32.197 31.700 -0.122 0.000 0.796 252 D N -0.490 119.945 120.400 0.058 0.000 2.277 252 D HA -0.113 4.518 4.640 -0.015 0.000 0.208 252 D C 1.673 178.011 176.300 0.064 0.000 0.962 252 D CA 0.900 54.934 54.000 0.058 0.000 0.865 252 D CB -0.198 40.638 40.800 0.061 0.000 0.939 252 D HN 0.179 nan 8.370 nan 0.000 0.510 253 E N -0.165 120.084 120.200 0.080 0.000 2.489 253 E HA 0.108 4.449 4.350 -0.015 0.000 0.193 253 E C 1.173 177.818 176.600 0.074 0.000 1.057 253 E CA 0.629 57.075 56.400 0.077 0.000 0.866 253 E CB -0.032 29.724 29.700 0.092 0.000 0.916 253 E HN 0.215 nan 8.360 nan 0.000 0.500 254 G N 0.275 109.123 108.800 0.080 0.000 2.179 254 G HA2 -0.241 3.709 3.960 -0.015 0.000 0.220 254 G HA3 -0.241 3.709 3.960 -0.015 0.000 0.220 254 G C -0.166 174.779 174.900 0.075 0.000 0.990 254 G CA 0.044 45.183 45.100 0.065 0.000 0.646 254 G HN 0.338 nan 8.290 nan 0.000 0.517 255 E N 0.641 120.916 120.200 0.126 0.000 2.343 255 E HA 0.665 5.006 4.350 -0.015 0.000 0.269 255 E C 0.428 177.091 176.600 0.105 0.000 1.047 255 E CA -0.257 56.221 56.400 0.130 0.000 0.874 255 E CB 0.802 30.649 29.700 0.247 0.000 1.033 255 E HN 0.182 nan 8.360 nan 0.000 0.409 256 R N 1.929 122.398 120.500 -0.052 0.000 2.808 256 R HA 0.230 4.561 4.340 -0.015 0.000 0.272 256 R C -2.124 174.034 176.300 -0.237 0.000 0.995 256 R CA -2.041 53.993 56.100 -0.110 0.000 0.917 256 R CB 0.810 31.104 30.300 -0.009 0.000 1.217 256 R HN 0.273 nan 8.270 nan 0.000 0.471 257 P HA -0.135 nan 4.420 nan 0.000 0.216 257 P C 0.543 177.872 177.300 0.049 0.000 1.150 257 P CA 1.208 64.236 63.100 -0.120 0.000 0.837 257 P CB 0.401 32.086 31.700 -0.025 0.000 0.786 258 E N 0.084 120.297 120.200 0.023 0.000 2.233 258 E HA -0.210 4.131 4.350 -0.015 0.000 0.199 258 E C 1.316 177.928 176.600 0.021 0.000 1.004 258 E CA 1.280 57.696 56.400 0.026 0.000 0.819 258 E CB -1.398 28.309 29.700 0.012 0.000 0.738 258 E HN 0.415 nan 8.360 nan 0.000 0.478 259 D N -0.428 119.975 120.400 0.005 0.000 2.317 259 D HA -0.075 4.556 4.640 -0.015 0.000 0.211 259 D C 0.100 176.284 176.300 -0.194 0.000 0.966 259 D CA 0.333 54.268 54.000 -0.108 0.000 0.876 259 D CB -0.308 40.360 40.800 -0.219 0.000 0.927 259 D HN 0.189 nan 8.370 nan 0.000 0.519 260 F N 2.178 122.057 119.950 -0.118 0.000 2.661 260 F HA 0.115 4.634 4.527 -0.015 0.000 0.356 260 F C 1.162 176.917 175.800 -0.075 0.000 1.244 260 F CA -0.503 57.437 58.000 -0.100 0.000 1.290 260 F CB -0.777 38.161 39.000 -0.104 0.000 1.677 260 F HN -0.273 nan 8.300 nan 0.000 0.649 261 T N -1.073 113.481 114.554 0.000 0.000 2.802 261 T HA 0.071 4.412 4.350 -0.015 0.000 0.305 261 T C -1.523 173.174 174.700 -0.005 0.000 1.053 261 T CA -1.493 60.604 62.100 -0.006 0.000 1.058 261 T CB 0.824 69.668 68.868 -0.040 0.000 0.988 261 T HN 0.079 nan 8.240 nan 0.000 0.539 262 P HA -0.161 nan 4.420 nan 0.000 0.217 262 P C 1.837 179.113 177.300 -0.040 0.000 1.148 262 P CA 1.135 64.226 63.100 -0.015 0.000 0.834 262 P CB 0.026 31.719 31.700 -0.012 0.000 0.783 263 Q N -0.850 118.921 119.800 -0.049 0.000 1.965 263 Q HA -0.171 4.160 4.340 -0.015 0.000 0.200 263 Q C 2.333 178.276 176.000 -0.094 0.000 0.981 263 Q CA 1.413 57.176 55.803 -0.067 0.000 0.834 263 Q CB -0.944 27.755 28.738 -0.065 0.000 0.900 263 Q HN 0.086 nan 8.270 nan 0.000 0.426 264 R N 0.734 121.164 120.500 -0.116 0.000 2.119 264 R HA -0.144 4.187 4.340 -0.015 0.000 0.246 264 R C 2.383 178.597 176.300 -0.144 0.000 1.146 264 R CA 1.950 57.947 56.100 -0.172 0.000 0.962 264 R CB -1.008 29.122 30.300 -0.283 0.000 0.863 264 R HN 0.338 nan 8.270 nan 0.000 0.442 265 C N -1.364 117.889 119.300 -0.078 0.000 2.436 265 C HA -0.053 4.398 4.460 -0.015 0.000 0.277 265 C C 2.653 177.547 174.990 -0.159 0.000 1.241 265 C CA 0.920 59.899 59.018 -0.065 0.000 1.721 265 C CB -0.896 26.833 27.740 -0.017 0.000 2.043 265 C HN 0.359 nan 8.230 nan 0.000 0.472 266 V N 1.066 120.891 119.914 -0.149 0.000 2.392 266 V HA -0.251 3.860 4.120 -0.015 0.000 0.249 266 V C 2.403 178.386 176.094 -0.185 0.000 1.059 266 V CA 2.433 64.623 62.300 -0.183 0.000 1.051 266 V CB -0.828 30.920 31.823 -0.125 0.000 0.658 266 V HN 0.676 nan 8.190 nan 0.000 0.455 267 E N 0.498 120.605 120.200 -0.156 0.000 2.023 267 E HA -0.240 4.101 4.350 -0.015 0.000 0.196 267 E C 2.120 178.604 176.600 -0.194 0.000 1.003 267 E CA 1.853 58.164 56.400 -0.149 0.000 0.809 267 E CB -0.345 29.277 29.700 -0.130 0.000 0.755 267 E HN 0.557 nan 8.360 nan 0.000 0.449 268 L N 0.413 121.484 121.223 -0.254 0.000 2.083 268 L HA -0.154 4.177 4.340 -0.015 0.000 0.209 268 L C 2.606 179.249 176.870 -0.378 0.000 1.083 268 L CA 0.934 55.532 54.840 -0.403 0.000 0.752 268 L CB -0.367 41.407 42.059 -0.475 0.000 0.899 268 L HN 0.278 nan 8.230 nan 0.000 0.433 269 I N -0.192 120.185 120.570 -0.323 0.000 2.226 269 I HA -0.224 3.936 4.170 -0.015 0.000 0.245 269 I C 2.628 178.586 176.117 -0.266 0.000 1.100 269 I CA 1.448 62.536 61.300 -0.353 0.000 1.374 269 I CB -0.804 36.840 38.000 -0.593 0.000 1.057 269 I HN 0.287 nan 8.210 nan 0.000 0.413 270 G N 1.061 109.729 108.800 -0.219 0.000 2.446 270 G HA2 -0.212 3.739 3.960 -0.015 0.000 0.217 270 G HA3 -0.212 3.739 3.960 -0.015 0.000 0.217 270 G C 1.671 176.496 174.900 -0.125 0.000 1.168 270 G CA 0.652 45.661 45.100 -0.152 0.000 0.771 270 G HN 0.276 nan 8.290 nan 0.000 0.551 271 L N 0.655 121.798 121.223 -0.132 0.000 2.017 271 L HA -0.054 4.277 4.340 -0.015 0.000 0.208 271 L C 3.419 180.226 176.870 -0.105 0.000 1.073 271 L CA 1.098 55.876 54.840 -0.103 0.000 0.745 271 L CB -0.547 41.427 42.059 -0.142 0.000 0.894 271 L HN 0.304 nan 8.230 nan 0.000 0.432 272 A N -0.072 122.699 122.820 -0.082 0.000 1.972 272 A HA -0.115 4.196 4.320 -0.015 0.000 0.219 272 A C 2.162 179.611 177.584 -0.225 0.000 1.169 272 A CA 1.416 53.436 52.037 -0.028 0.000 0.635 272 A CB -0.511 18.505 19.000 0.027 0.000 0.810 272 A HN 0.420 nan 8.150 nan 0.000 0.446 273 L N -1.503 119.573 121.223 -0.244 0.000 2.554 273 L HA 0.059 4.390 4.340 -0.015 0.000 0.225 273 L C 0.480 177.248 176.870 -0.171 0.000 1.104 273 L CA 0.296 54.964 54.840 -0.286 0.000 0.866 273 L CB -0.090 41.811 42.059 -0.262 0.000 1.047 273 L HN 0.319 nan 8.230 nan 0.000 0.468 274 D N 1.444 121.783 120.400 -0.102 0.000 2.701 274 D HA -0.196 4.435 4.640 -0.015 0.000 0.235 274 D C -0.174 176.090 176.300 -0.061 0.000 1.155 274 D CA 0.915 54.885 54.000 -0.050 0.000 0.649 274 D CB -0.413 40.370 40.800 -0.028 0.000 1.050 274 D HN 0.375 nan 8.370 nan 0.000 0.425 275 A N 0.290 123.065 122.820 -0.074 0.000 2.414 275 A HA 0.624 4.935 4.320 -0.015 0.000 0.286 275 A C -2.298 175.249 177.584 -0.061 0.000 1.073 275 A CA -1.014 50.986 52.037 -0.062 0.000 0.727 275 A CB 1.898 20.856 19.000 -0.069 0.000 1.215 275 A HN -0.004 nan 8.150 nan 0.000 0.430 276 P HA 0.139 nan 4.420 nan 0.000 0.268 276 P C 0.744 178.022 177.300 -0.037 0.000 1.329 276 P CA 0.227 63.300 63.100 -0.046 0.000 0.899 276 P CB 0.547 32.225 31.700 -0.036 0.000 1.378 277 E N 0.777 120.958 120.200 -0.030 0.000 2.463 277 E HA -0.052 4.289 4.350 -0.015 0.000 0.201 277 E C 0.393 176.981 176.600 -0.019 0.000 1.045 277 E CA 0.103 56.490 56.400 -0.020 0.000 0.872 277 E CB -0.290 29.402 29.700 -0.014 0.000 0.797 277 E HN 0.073 nan 8.360 nan 0.000 0.538 278 V N 0.144 120.038 119.914 -0.032 0.000 2.508 278 V HA 0.219 4.330 4.120 -0.015 0.000 0.281 278 V C -0.492 175.582 176.094 -0.034 0.000 1.041 278 V CA -0.496 61.786 62.300 -0.030 0.000 1.016 278 V CB 1.046 32.834 31.823 -0.058 0.000 0.984 278 V HN 0.037 nan 8.190 nan 0.000 0.478 279 K N 6.255 126.649 120.400 -0.010 0.000 2.527 279 K HA 0.533 4.844 4.320 -0.015 0.000 0.240 279 K C -2.724 173.885 176.600 0.014 0.000 0.989 279 K CA -1.404 54.876 56.287 -0.011 0.000 0.985 279 K CB 1.357 33.856 32.500 -0.001 0.000 1.221 279 K HN 0.604 nan 8.250 nan 0.000 0.458 280 P HA 0.191 nan 4.420 nan 0.000 0.278 280 P C -0.765 176.572 177.300 0.063 0.000 1.258 280 P CA -0.488 62.645 63.100 0.054 0.000 0.811 280 P CB 0.841 32.485 31.700 -0.093 0.000 1.063 281 E N 0.995 121.268 120.200 0.122 0.000 2.191 281 E HA 0.343 4.684 4.350 -0.015 0.000 0.263 281 E C -0.523 176.148 176.600 0.119 0.000 0.881 281 E CA -0.595 55.857 56.400 0.086 0.000 0.757 281 E CB 1.454 31.196 29.700 0.070 0.000 1.147 281 E HN 0.382 nan 8.360 nan 0.000 0.414 282 L N 2.935 124.206 121.223 0.081 0.000 2.313 282 L HA 0.172 4.503 4.340 -0.015 0.000 0.282 282 L C 1.436 178.344 176.870 0.062 0.000 1.092 282 L CA -0.369 54.522 54.840 0.086 0.000 0.831 282 L CB 0.774 42.858 42.059 0.041 0.000 1.159 282 L HN 0.333 nan 8.230 nan 0.000 0.442 283 V N 1.300 121.245 119.914 0.052 0.000 2.379 283 V HA 0.011 4.121 4.120 -0.015 0.000 0.243 283 V C 0.201 176.303 176.094 0.015 0.000 1.035 283 V CA 1.265 63.581 62.300 0.027 0.000 1.035 283 V CB -0.107 31.713 31.823 -0.005 0.000 0.673 283 V HN 0.862 nan 8.190 nan 0.000 0.457 284 D N -1.838 118.531 120.400 -0.052 0.000 2.886 284 D HA 0.462 5.093 4.640 -0.015 0.000 0.216 284 D C -1.400 174.855 176.300 -0.075 0.000 1.256 284 D CA -0.312 53.649 54.000 -0.065 0.000 0.844 284 D CB 1.604 42.275 40.800 -0.215 0.000 1.669 284 D HN 0.083 nan 8.370 nan 0.000 0.513 285 I N 2.790 123.342 120.570 -0.031 0.000 2.420 285 I HA 0.365 4.526 4.170 -0.015 0.000 0.282 285 I C -0.883 175.223 176.117 -0.019 0.000 1.019 285 I CA -0.642 60.638 61.300 -0.033 0.000 1.130 285 I CB 1.686 39.689 38.000 0.005 0.000 1.262 285 I HN 0.148 nan 8.210 nan 0.000 0.454 286 Q N 4.800 124.582 119.800 -0.031 0.000 2.310 286 Q HA 0.599 4.930 4.340 -0.015 0.000 0.270 286 Q C -0.395 175.663 176.000 0.097 0.000 1.025 286 Q CA -0.471 55.349 55.803 0.029 0.000 0.772 286 Q CB 2.149 30.902 28.738 0.025 0.000 1.253 286 Q HN 0.717 nan 8.270 nan 0.000 0.450 287 G N 2.588 111.464 108.800 0.128 0.000 2.432 287 G HA2 0.376 4.327 3.960 -0.015 0.000 0.257 287 G HA3 0.376 4.327 3.960 -0.015 0.000 0.257 287 G C -1.603 173.515 174.900 0.363 0.000 1.238 287 G CA -0.173 45.074 45.100 0.245 0.000 0.838 287 G HN 0.521 nan 8.290 nan 0.000 0.547 288 W N 2.148 123.571 121.300 0.205 0.000 2.957 288 W HA 0.483 5.134 4.660 -0.015 0.000 0.336 288 W C -0.935 175.646 176.519 0.104 0.000 1.087 288 W CA -1.645 55.790 57.345 0.151 0.000 1.235 288 W CB 1.461 31.022 29.460 0.169 0.000 1.399 288 W HN 0.541 nan 8.180 nan 0.000 0.480 289 E N 5.753 126.183 120.200 0.382 0.000 2.146 289 E HA 0.377 4.718 4.350 -0.015 0.000 0.282 289 E C -0.775 175.678 176.600 -0.245 0.000 0.989 289 E CA -0.419 55.919 56.400 -0.104 0.000 0.799 289 E CB 0.844 30.503 29.700 -0.067 0.000 1.088 289 E HN 0.502 nan 8.360 nan 0.000 0.397 290 M N 3.023 122.287 119.600 -0.561 0.000 2.277 290 M HA 0.518 4.989 4.480 -0.015 0.000 0.350 290 M C -0.395 175.689 176.300 -0.359 0.000 1.180 290 M CA -0.123 54.828 55.300 -0.582 0.000 1.103 290 M CB 1.823 33.960 32.600 -0.771 0.000 1.577 290 M HN 0.653 nan 8.290 nan 0.000 0.459 291 A N 1.815 124.490 122.820 -0.242 0.000 2.588 291 A HA 0.958 5.269 4.320 -0.015 0.000 0.290 291 A C -1.871 175.635 177.584 -0.130 0.000 1.136 291 A CA -0.753 51.197 52.037 -0.145 0.000 0.681 291 A CB 1.264 20.218 19.000 -0.076 0.000 1.282 291 A HN 0.830 nan 8.150 nan 0.000 0.421 292 A N 0.949 123.721 122.820 -0.080 0.000 2.466 292 A HA 0.713 5.024 4.320 -0.015 0.000 0.291 292 A C -0.525 177.011 177.584 -0.081 0.000 1.234 292 A CA -0.494 51.487 52.037 -0.093 0.000 0.752 292 A CB 0.512 19.441 19.000 -0.119 0.000 1.153 292 A HN 0.660 nan 8.150 nan 0.000 0.458 293 R N 2.544 122.981 120.500 -0.105 0.000 2.502 293 R HA 0.602 4.932 4.340 -0.015 0.000 0.300 293 R C -1.450 174.726 176.300 -0.206 0.000 0.984 293 R CA -0.466 55.549 56.100 -0.142 0.000 0.882 293 R CB 2.028 32.278 30.300 -0.083 0.000 1.180 293 R HN 0.620 nan 8.270 nan 0.000 0.444 294 I N 2.011 122.344 120.570 -0.394 0.000 2.406 294 I HA 0.353 4.514 4.170 -0.015 0.000 0.290 294 I C 0.472 176.484 176.117 -0.175 0.000 0.999 294 I CA -0.963 60.126 61.300 -0.352 0.000 1.124 294 I CB 2.018 39.708 38.000 -0.516 0.000 1.289 294 I HN 0.660 nan 8.210 nan 0.000 0.441 295 A N 5.651 128.453 122.820 -0.031 0.000 2.546 295 A HA 0.086 4.397 4.320 -0.015 0.000 0.243 295 A C 1.204 179.016 177.584 0.379 0.000 1.063 295 A CA -0.024 52.043 52.037 0.050 0.000 0.757 295 A CB 0.144 19.008 19.000 -0.226 0.000 0.991 295 A HN 0.828 nan 8.150 nan 0.000 0.503 296 E N 1.341 121.750 120.200 0.348 0.000 2.265 296 E HA -0.102 4.239 4.350 -0.015 0.000 0.196 296 E C 0.373 177.170 176.600 0.328 0.000 0.996 296 E CA 1.025 57.650 56.400 0.375 0.000 0.832 296 E CB 0.105 29.940 29.700 0.225 0.000 0.756 296 E HN 0.626 nan 8.360 nan 0.000 0.491 297 R N -1.199 119.504 120.500 0.339 0.000 2.673 297 R HA 0.180 4.511 4.340 -0.015 0.000 0.281 297 R C -0.655 175.924 176.300 0.465 0.000 0.991 297 R CA -0.538 55.772 56.100 0.350 0.000 0.896 297 R CB 1.092 31.499 30.300 0.178 0.000 1.201 297 R HN -0.031 nan 8.270 nan 0.000 0.457 298 W N 1.522 122.873 121.300 0.085 0.000 3.005 298 W HA 0.338 4.988 4.660 -0.016 0.000 0.374 298 W C 0.135 176.784 176.519 0.216 0.000 1.076 298 W CA -0.160 57.283 57.345 0.163 0.000 1.794 298 W CB 0.606 30.143 29.460 0.128 0.000 1.113 298 W HN 0.221 nan 8.180 nan 0.000 0.584 299 R N 0.854 121.492 120.500 0.230 0.000 2.563 299 R HA 0.202 4.533 4.340 -0.015 0.000 0.262 299 R C -1.529 174.708 176.300 -0.106 0.000 1.128 299 R CA -0.273 55.773 56.100 -0.089 0.000 0.969 299 R CB 1.289 31.506 30.300 -0.138 0.000 1.251 299 R HN -0.045 nan 8.270 nan 0.000 0.442 300 E N 2.650 122.740 120.200 -0.183 0.000 2.279 300 E HA 0.326 4.667 4.350 -0.015 0.000 0.252 300 E C 0.208 176.712 176.600 -0.160 0.000 0.894 300 E CA 0.312 56.645 56.400 -0.111 0.000 0.785 300 E CB 1.649 31.331 29.700 -0.030 0.000 1.237 300 E HN 0.934 nan 8.360 nan 0.000 0.418 301 G N 4.123 112.837 108.800 -0.143 0.000 2.815 301 G HA2 -0.401 3.550 3.960 -0.015 0.000 0.326 301 G HA3 -0.401 3.550 3.960 -0.015 0.000 0.326 301 G C 0.755 175.532 174.900 -0.205 0.000 1.191 301 G CA 0.650 45.673 45.100 -0.129 0.000 0.965 301 G HN 0.572 nan 8.290 nan 0.000 0.564 302 R N -0.448 119.932 120.500 -0.201 0.000 2.543 302 R HA 0.490 4.821 4.340 -0.015 0.000 0.323 302 R C -0.248 175.956 176.300 -0.159 0.000 1.002 302 R CA 0.042 56.042 56.100 -0.167 0.000 1.106 302 R CB 1.071 31.201 30.300 -0.283 0.000 1.280 302 R HN 0.289 nan 8.270 nan 0.000 0.549 303 V N 1.458 121.181 119.914 -0.319 0.000 2.435 303 V HA 0.436 4.547 4.120 -0.015 0.000 0.290 303 V C -0.584 175.267 176.094 -0.406 0.000 1.030 303 V CA -0.450 61.675 62.300 -0.291 0.000 0.881 303 V CB 1.307 32.951 31.823 -0.298 0.000 0.983 303 V HN -0.007 nan 8.190 nan 0.000 0.445 304 F N 3.852 123.762 119.950 -0.066 0.000 2.563 304 F HA 0.647 5.165 4.527 -0.014 0.000 0.316 304 F C -0.071 175.712 175.800 -0.028 0.000 1.076 304 F CA -0.734 57.256 58.000 -0.018 0.000 0.921 304 F CB 1.799 40.728 39.000 -0.119 0.000 1.209 304 F HN 0.181 nan 8.300 nan 0.000 0.462 305 L N 2.699 124.065 121.223 0.239 0.000 2.322 305 L HA 0.884 5.215 4.340 -0.015 0.000 0.279 305 L C -0.318 176.618 176.870 0.110 0.000 1.036 305 L CA -0.816 54.039 54.840 0.026 0.000 0.807 305 L CB 1.551 43.482 42.059 -0.212 0.000 1.226 305 L HN 0.762 nan 8.230 nan 0.000 0.433 306 A N 1.601 124.419 122.820 -0.004 0.000 2.549 306 A HA 0.844 5.154 4.320 -0.015 0.000 0.297 306 A C 0.020 177.575 177.584 -0.048 0.000 1.061 306 A CA 0.165 52.241 52.037 0.066 0.000 0.690 306 A CB 1.614 20.675 19.000 0.101 0.000 1.287 306 A HN 1.003 nan 8.150 nan 0.000 0.402 307 G N 1.341 110.126 108.800 -0.025 0.000 2.498 307 G HA2 -0.216 3.735 3.960 -0.015 0.000 0.251 307 G HA3 -0.216 3.735 3.960 -0.015 0.000 0.251 307 G C 0.390 175.240 174.900 -0.083 0.000 1.170 307 G CA 0.842 45.928 45.100 -0.024 0.000 0.944 307 G HN 0.801 nan 8.290 nan 0.000 0.567 308 D N 0.902 121.269 120.400 -0.056 0.000 2.218 308 D HA 0.169 4.800 4.640 -0.015 0.000 0.204 308 D C 2.698 178.932 176.300 -0.110 0.000 0.976 308 D CA 2.135 56.098 54.000 -0.061 0.000 0.853 308 D CB -0.614 40.172 40.800 -0.023 0.000 0.939 308 D HN 0.858 nan 8.370 nan 0.000 0.481 309 A N 0.502 123.242 122.820 -0.133 0.000 1.972 309 A HA 0.016 4.327 4.320 -0.015 0.000 0.219 309 A C 2.202 179.620 177.584 -0.277 0.000 1.169 309 A CA 1.899 53.843 52.037 -0.155 0.000 0.635 309 A CB -0.381 18.547 19.000 -0.120 0.000 0.810 309 A HN 0.240 nan 8.150 nan 0.000 0.446 310 A N -0.988 121.558 122.820 -0.457 0.000 2.030 310 A HA 0.363 4.674 4.320 -0.015 0.000 0.215 310 A C 0.803 178.022 177.584 -0.609 0.000 1.164 310 A CA 1.346 52.829 52.037 -0.924 0.000 0.697 310 A CB 0.020 17.944 19.000 -1.792 0.000 0.827 310 A HN 0.648 nan 8.150 nan 0.000 0.457 311 K N -1.823 118.388 120.400 -0.316 0.000 2.580 311 K HA 0.523 4.834 4.320 -0.015 0.000 0.258 311 K C -1.769 174.788 176.600 -0.072 0.000 0.936 311 K CA -0.436 55.773 56.287 -0.129 0.000 0.852 311 K CB 0.947 33.462 32.500 0.026 0.000 1.329 311 K HN -0.083 nan 8.250 nan 0.000 0.430 312 V N 2.575 122.454 119.914 -0.059 0.000 2.398 312 V HA 0.669 4.780 4.120 -0.015 0.000 0.286 312 V C -0.445 175.627 176.094 -0.037 0.000 1.026 312 V CA -0.381 61.907 62.300 -0.020 0.000 0.868 312 V CB 1.585 33.405 31.823 -0.004 0.000 0.982 312 V HN 0.914 nan 8.190 nan 0.000 0.443 313 T N 5.962 120.504 114.554 -0.020 0.000 2.908 313 T HA 0.604 4.945 4.350 -0.015 0.000 0.290 313 T C -2.826 171.821 174.700 -0.088 0.000 1.034 313 T CA -2.109 59.953 62.100 -0.064 0.000 1.010 313 T CB 2.102 70.945 68.868 -0.041 0.000 1.068 313 T HN 0.418 nan 8.240 nan 0.000 0.481 314 P HA 0.168 nan 4.420 nan 0.000 0.267 314 P C -1.933 175.276 177.300 -0.152 0.000 1.200 314 P CA -1.146 61.801 63.100 -0.254 0.000 0.772 314 P CB 0.248 31.749 31.700 -0.332 0.000 0.855 315 P HA -0.078 nan 4.420 nan 0.000 0.230 315 P C -0.019 177.262 177.300 -0.031 0.000 1.158 315 P CA 0.890 63.951 63.100 -0.066 0.000 0.769 315 P CB -0.532 31.086 31.700 -0.136 0.000 0.807 316 T N -1.934 112.609 114.554 -0.019 0.000 2.829 316 T HA 0.385 4.726 4.350 -0.015 0.000 0.293 316 T C 1.372 176.124 174.700 0.087 0.000 0.970 316 T CA 0.373 62.525 62.100 0.087 0.000 1.168 316 T CB -0.048 68.897 68.868 0.128 0.000 0.911 316 T HN 0.319 nan 8.240 nan 0.000 0.535 317 G N 2.232 111.097 108.800 0.108 0.000 2.176 317 G HA2 0.115 4.066 3.960 -0.015 0.000 0.232 317 G HA3 0.115 4.066 3.960 -0.015 0.000 0.232 317 G C 0.916 175.931 174.900 0.193 0.000 0.986 317 G CA 0.146 45.335 45.100 0.149 0.000 0.643 317 G HN 2.260 nan 8.290 nan 0.000 0.522 318 G N -0.422 108.416 108.800 0.063 0.000 2.305 318 G HA2 -0.228 3.723 3.960 -0.015 0.000 0.287 318 G HA3 -0.228 3.723 3.960 -0.015 0.000 0.287 318 G C 0.875 175.842 174.900 0.111 0.000 1.036 318 G CA 1.289 46.417 45.100 0.046 0.000 0.887 318 G HN 1.051 nan 8.290 nan 0.000 0.505 319 M N -0.222 119.433 119.600 0.092 0.000 2.382 319 M HA 0.107 4.578 4.480 -0.015 0.000 0.247 319 M C 2.434 178.754 176.300 0.033 0.000 1.104 319 M CA 0.727 56.061 55.300 0.055 0.000 1.030 319 M CB 0.194 32.818 32.600 0.040 0.000 1.424 319 M HN 0.227 nan 8.290 nan 0.000 0.486 320 S N 1.278 117.007 115.700 0.049 0.000 2.354 320 S HA -0.131 4.330 4.470 -0.015 0.000 0.219 320 S C 2.035 176.662 174.600 0.045 0.000 1.035 320 S CA 1.932 60.166 58.200 0.057 0.000 1.037 320 S CB -0.815 62.446 63.200 0.101 0.000 0.956 320 S HN 0.673 nan 8.310 nan 0.000 0.428 321 G N 2.530 111.356 108.800 0.044 0.000 2.421 321 G HA2 -0.215 3.735 3.960 -0.015 0.000 0.216 321 G HA3 -0.215 3.735 3.960 -0.015 0.000 0.216 321 G C 1.284 176.202 174.900 0.030 0.000 1.171 321 G CA 0.665 45.788 45.100 0.038 0.000 0.775 321 G HN 0.433 nan 8.290 nan 0.000 0.543 322 N N 1.288 119.996 118.700 0.013 0.000 2.137 322 N HA -0.164 4.567 4.740 -0.015 0.000 0.190 322 N C 2.475 177.975 175.510 -0.016 0.000 1.017 322 N CA 1.381 54.420 53.050 -0.019 0.000 0.859 322 N CB -0.245 38.206 38.487 -0.061 0.000 1.002 322 N HN 0.351 nan 8.380 nan 0.000 0.428 323 A N 1.038 123.855 122.820 -0.004 0.000 1.929 323 A HA 0.145 4.456 4.320 -0.015 0.000 0.216 323 A C 2.422 180.037 177.584 0.050 0.000 1.176 323 A CA 1.455 53.495 52.037 0.005 0.000 0.628 323 A CB -0.556 18.450 19.000 0.011 0.000 0.816 323 A HN 0.309 nan 8.150 nan 0.000 0.444 324 A N -0.370 122.483 122.820 0.055 0.000 1.877 324 A HA -0.032 4.279 4.320 -0.015 0.000 0.216 324 A C 2.212 179.860 177.584 0.106 0.000 1.186 324 A CA 1.825 53.906 52.037 0.074 0.000 0.620 324 A CB -1.004 18.028 19.000 0.054 0.000 0.822 324 A HN 0.377 nan 8.150 nan 0.000 0.443 325 V N -0.217 119.758 119.914 0.101 0.000 2.332 325 V HA -0.268 3.843 4.120 -0.015 0.000 0.248 325 V C 3.020 179.223 176.094 0.182 0.000 1.055 325 V CA 2.080 64.474 62.300 0.156 0.000 1.038 325 V CB -1.127 30.773 31.823 0.129 0.000 0.651 325 V HN 0.629 nan 8.190 nan 0.000 0.450 326 A N -0.532 122.350 122.820 0.104 0.000 1.929 326 A HA -0.184 4.127 4.320 -0.015 0.000 0.216 326 A C 1.979 179.665 177.584 0.170 0.000 1.176 326 A CA 1.596 53.686 52.037 0.089 0.000 0.628 326 A CB -0.522 18.466 19.000 -0.021 0.000 0.816 326 A HN 0.519 nan 8.150 nan 0.000 0.444 327 D N 0.099 120.607 120.400 0.179 0.000 2.123 327 D HA -0.117 4.514 4.640 -0.015 0.000 0.196 327 D C 2.058 178.528 176.300 0.284 0.000 0.992 327 D CA 1.604 55.774 54.000 0.284 0.000 0.833 327 D CB -0.711 40.276 40.800 0.310 0.000 0.954 327 D HN 0.430 nan 8.370 nan 0.000 0.455 328 G N -0.169 108.758 108.800 0.211 0.000 2.422 328 G HA2 -0.267 3.684 3.960 -0.015 0.000 0.218 328 G HA3 -0.267 3.684 3.960 -0.015 0.000 0.218 328 G C 1.541 176.535 174.900 0.156 0.000 1.146 328 G CA 0.271 45.471 45.100 0.167 0.000 0.769 328 G HN 0.266 nan 8.290 nan 0.000 0.547 329 F N 1.405 121.361 119.950 0.011 0.000 2.134 329 F HA -0.048 4.468 4.527 -0.017 0.000 0.299 329 F C 2.242 178.037 175.800 -0.008 0.000 1.097 329 F CA 1.945 59.799 58.000 -0.243 0.000 1.264 329 F CB -0.099 38.643 39.000 -0.431 0.000 1.001 329 F HN 0.248 nan 8.300 nan 0.000 0.479 330 D N -0.037 120.560 120.400 0.328 0.000 2.084 330 D HA -0.212 4.419 4.640 -0.015 0.000 0.194 330 D C 2.155 178.335 176.300 -0.200 0.000 0.990 330 D CA 1.353 55.499 54.000 0.242 0.000 0.826 330 D CB -0.264 40.703 40.800 0.278 0.000 0.971 330 D HN 0.214 nan 8.370 nan 0.000 0.453 331 L N 0.723 121.822 121.223 -0.208 0.000 1.989 331 L HA -0.068 4.263 4.340 -0.015 0.000 0.211 331 L C 2.247 178.787 176.870 -0.550 0.000 1.071 331 L CA 2.175 56.645 54.840 -0.617 0.000 0.749 331 L CB -1.364 40.290 42.059 -0.676 0.000 0.890 331 L HN 0.137 nan 8.230 nan 0.000 0.431 332 A N 0.195 122.808 122.820 -0.345 0.000 1.859 332 A HA -0.301 4.010 4.320 -0.015 0.000 0.218 332 A C 2.215 179.630 177.584 -0.281 0.000 1.209 332 A CA 2.718 54.594 52.037 -0.269 0.000 0.639 332 A CB -1.632 17.291 19.000 -0.129 0.000 0.835 332 A HN 0.792 nan 8.150 nan 0.000 0.450 333 W N 0.108 121.183 121.300 -0.374 0.000 2.436 333 W HA -0.038 4.611 4.660 -0.017 0.000 0.284 333 W C 1.475 177.887 176.519 -0.178 0.000 1.225 333 W CA 1.165 58.330 57.345 -0.300 0.000 1.271 333 W CB -0.513 28.709 29.460 -0.395 0.000 1.114 333 W HN 0.303 nan 8.180 nan 0.000 0.559 334 K N 1.110 120.874 120.400 -1.059 0.000 2.031 334 K HA -0.075 4.236 4.320 -0.015 0.000 0.205 334 K C 2.353 178.633 176.600 -0.532 0.000 1.049 334 K CA 1.563 57.274 56.287 -0.960 0.000 0.939 334 K CB -0.555 31.307 32.500 -1.063 0.000 0.717 334 K HN 0.121 nan 8.250 nan 0.000 0.438 335 L N 0.800 121.686 121.223 -0.563 0.000 2.079 335 L HA -0.223 4.108 4.340 -0.015 0.000 0.210 335 L C 2.560 179.243 176.870 -0.312 0.000 1.081 335 L CA 1.088 55.611 54.840 -0.528 0.000 0.752 335 L CB -0.506 41.169 42.059 -0.640 0.000 0.896 335 L HN 0.256 nan 8.230 nan 0.000 0.433 336 A N -0.216 122.479 122.820 -0.210 0.000 1.877 336 A HA -0.167 4.143 4.320 -0.015 0.000 0.216 336 A C 2.496 180.065 177.584 -0.026 0.000 1.186 336 A CA 1.681 53.669 52.037 -0.082 0.000 0.620 336 A CB -0.692 18.295 19.000 -0.022 0.000 0.822 336 A HN 0.410 nan 8.150 nan 0.000 0.443 337 A N -0.682 122.138 122.820 -0.000 0.000 1.930 337 A HA 0.043 4.354 4.320 -0.015 0.000 0.217 337 A C 2.198 179.791 177.584 0.016 0.000 1.175 337 A CA 1.725 53.802 52.037 0.068 0.000 0.627 337 A CB -0.771 18.338 19.000 0.182 0.000 0.815 337 A HN 0.376 nan 8.150 nan 0.000 0.443 338 V N -0.180 119.707 119.914 -0.044 0.000 2.453 338 V HA -0.184 3.927 4.120 -0.015 0.000 0.247 338 V C 2.465 178.571 176.094 0.021 0.000 1.048 338 V CA 1.674 63.962 62.300 -0.019 0.000 1.049 338 V CB -0.636 31.157 31.823 -0.050 0.000 0.672 338 V HN 0.553 nan 8.190 nan 0.000 0.457 339 L N -0.664 120.558 121.223 -0.002 0.000 2.217 339 L HA -0.155 4.176 4.340 -0.015 0.000 0.211 339 L C 2.416 179.316 176.870 0.050 0.000 1.107 339 L CA 1.320 56.190 54.840 0.051 0.000 0.783 339 L CB -0.283 41.793 42.059 0.028 0.000 0.919 339 L HN 0.364 nan 8.230 nan 0.000 0.442 340 Q N -0.742 119.079 119.800 0.035 0.000 2.425 340 Q HA 0.095 4.425 4.340 -0.015 0.000 0.204 340 Q C 1.259 177.280 176.000 0.035 0.000 0.933 340 Q CA 0.551 56.376 55.803 0.038 0.000 0.939 340 Q CB 0.606 29.369 28.738 0.041 0.000 1.044 340 Q HN 0.530 nan 8.270 nan 0.000 0.513 341 G N 0.650 109.471 108.800 0.035 0.000 2.141 341 G HA2 -0.308 3.643 3.960 -0.015 0.000 0.231 341 G HA3 -0.308 3.643 3.960 -0.015 0.000 0.231 341 G C 0.561 175.473 174.900 0.019 0.000 0.984 341 G CA 0.332 45.449 45.100 0.027 0.000 0.660 341 G HN 0.372 nan 8.290 nan 0.000 0.525 342 Q N -0.519 119.298 119.800 0.027 0.000 2.331 342 Q HA 0.531 4.862 4.340 -0.015 0.000 0.203 342 Q C 1.280 177.287 176.000 0.010 0.000 0.944 342 Q CA 1.172 56.988 55.803 0.021 0.000 0.892 342 Q CB 0.402 29.174 28.738 0.057 0.000 0.983 342 Q HN 1.007 nan 8.270 nan 0.000 0.482 343 A N -0.300 122.533 122.820 0.021 0.000 2.556 343 A HA 0.721 5.032 4.320 -0.015 0.000 0.294 343 A C -0.280 177.313 177.584 0.015 0.000 1.091 343 A CA -0.359 51.688 52.037 0.016 0.000 0.704 343 A CB 1.218 20.238 19.000 0.034 0.000 1.300 343 A HN 0.170 nan 8.150 nan 0.000 0.406 344 G N -0.981 107.827 108.800 0.013 0.000 2.547 344 G HA2 0.546 4.497 3.960 -0.015 0.000 0.291 344 G HA3 0.546 4.497 3.960 -0.015 0.000 0.291 344 G C 1.023 175.940 174.900 0.029 0.000 1.211 344 G CA 0.227 45.341 45.100 0.022 0.000 0.950 344 G HN 1.607 nan 8.290 nan 0.000 0.504 345 A N -0.441 122.407 122.820 0.046 0.000 2.019 345 A HA 0.084 4.395 4.320 -0.015 0.000 0.219 345 A C 2.555 180.171 177.584 0.053 0.000 1.164 345 A CA 2.096 54.173 52.037 0.066 0.000 0.644 345 A CB -0.890 18.160 19.000 0.084 0.000 0.805 345 A HN 1.098 nan 8.150 nan 0.000 0.449 346 G N 0.088 108.911 108.800 0.038 0.000 2.475 346 G HA2 -0.246 3.705 3.960 -0.015 0.000 0.220 346 G HA3 -0.246 3.705 3.960 -0.015 0.000 0.220 346 G C 1.428 176.343 174.900 0.026 0.000 1.125 346 G CA 1.275 46.395 45.100 0.032 0.000 0.755 346 G HN 0.526 nan 8.290 nan 0.000 0.565 347 L N 0.600 121.829 121.223 0.010 0.000 2.079 347 L HA 0.037 4.368 4.340 -0.015 0.000 0.210 347 L C 2.621 179.459 176.870 -0.052 0.000 1.081 347 L CA 1.313 56.138 54.840 -0.023 0.000 0.752 347 L CB -0.341 41.688 42.059 -0.050 0.000 0.896 347 L HN 0.228 nan 8.230 nan 0.000 0.433 348 L N -0.618 120.594 121.223 -0.017 0.000 2.349 348 L HA -0.207 4.124 4.340 -0.015 0.000 0.220 348 L C 1.828 178.786 176.870 0.148 0.000 1.130 348 L CA 0.918 55.786 54.840 0.046 0.000 0.791 348 L CB -0.939 41.234 42.059 0.189 0.000 0.918 348 L HN 0.347 nan 8.230 nan 0.000 0.444 349 D N -0.583 119.872 120.400 0.092 0.000 2.234 349 D HA -0.119 4.512 4.640 -0.015 0.000 0.205 349 D C 2.301 178.626 176.300 0.043 0.000 0.962 349 D CA 1.711 55.764 54.000 0.088 0.000 0.855 349 D CB -0.085 40.745 40.800 0.049 0.000 0.951 349 D HN 0.385 nan 8.370 nan 0.000 0.500 350 T N -1.217 113.338 114.554 0.001 0.000 2.849 350 T HA -0.272 4.069 4.350 -0.015 0.000 0.270 350 T C 2.024 176.662 174.700 -0.102 0.000 1.066 350 T CA 0.829 62.893 62.100 -0.060 0.000 1.130 350 T CB -0.709 68.127 68.868 -0.054 0.000 0.864 350 T HN 0.122 nan 8.240 nan 0.000 0.481 351 Y N 2.283 122.481 120.300 -0.169 0.000 2.040 351 Y HA -0.206 4.335 4.550 -0.015 0.000 0.275 351 Y C 2.529 178.309 175.900 -0.201 0.000 1.171 351 Y CA 2.179 60.170 58.100 -0.181 0.000 1.123 351 Y CB -0.695 37.701 38.460 -0.106 0.000 0.963 351 Y HN 0.414 nan 8.280 nan 0.000 0.493 352 E N -0.310 119.782 120.200 -0.181 0.000 2.017 352 E HA -0.250 4.091 4.350 -0.015 0.000 0.193 352 E C 1.879 178.170 176.600 -0.514 0.000 0.997 352 E CA 1.631 57.776 56.400 -0.426 0.000 0.804 352 E CB -0.237 29.404 29.700 -0.098 0.000 0.757 352 E HN 0.533 nan 8.360 nan 0.000 0.448 353 D N 0.408 120.629 120.400 -0.298 0.000 2.149 353 D HA -0.205 4.426 4.640 -0.015 0.000 0.194 353 D C 1.811 177.905 176.300 -0.344 0.000 1.001 353 D CA 1.430 55.273 54.000 -0.262 0.000 0.849 353 D CB -0.202 40.504 40.800 -0.157 0.000 0.939 353 D HN 0.393 nan 8.370 nan 0.000 0.449 354 E N -0.396 119.529 120.200 -0.458 0.000 2.042 354 E HA 0.017 4.358 4.350 -0.015 0.000 0.189 354 E C 2.126 178.353 176.600 -0.621 0.000 0.974 354 E CA 0.313 56.334 56.400 -0.631 0.000 0.806 354 E CB 0.250 29.318 29.700 -1.054 0.000 0.769 354 E HN 0.005 nan 8.360 nan 0.000 0.451 355 R N 1.002 121.043 120.500 -0.766 0.000 2.240 355 R HA -0.003 4.328 4.340 -0.015 0.000 0.203 355 R C 1.976 177.636 176.300 -1.067 0.000 1.011 355 R CA 0.640 56.277 56.100 -0.771 0.000 1.007 355 R CB -0.186 29.630 30.300 -0.807 0.000 0.911 355 R HN 0.071 nan 8.270 nan 0.000 0.468 356 K N 0.608 120.250 120.400 -1.262 0.000 2.103 356 K HA -0.013 4.298 4.320 -0.015 0.000 0.204 356 K C 1.781 178.124 176.600 -0.428 0.000 1.052 356 K CA 0.757 56.379 56.287 -1.108 0.000 0.945 356 K CB 0.128 32.005 32.500 -1.039 0.000 0.722 356 K HN -0.136 nan 8.250 nan 0.000 0.443 357 V N 1.354 121.071 119.914 -0.329 0.000 2.307 357 V HA -0.205 3.906 4.120 -0.015 0.000 0.245 357 V C 2.411 178.432 176.094 -0.121 0.000 1.045 357 V CA 1.898 64.108 62.300 -0.150 0.000 1.024 357 V CB -0.680 31.086 31.823 -0.095 0.000 0.651 357 V HN 0.528 nan 8.190 nan 0.000 0.449 358 A N 0.107 122.831 122.820 -0.161 0.000 1.958 358 A HA -0.252 4.059 4.320 -0.015 0.000 0.221 358 A C 2.419 179.939 177.584 -0.107 0.000 1.178 358 A CA 2.449 54.394 52.037 -0.153 0.000 0.642 358 A CB -0.838 18.038 19.000 -0.206 0.000 0.816 358 A HN 0.613 nan 8.150 nan 0.000 0.453 359 A N -0.449 122.321 122.820 -0.084 0.000 1.902 359 A HA -0.198 4.113 4.320 -0.015 0.000 0.217 359 A C 1.935 179.526 177.584 0.011 0.000 1.181 359 A CA 1.737 53.797 52.037 0.039 0.000 0.623 359 A CB -0.561 18.569 19.000 0.216 0.000 0.818 359 A HN 0.654 nan 8.150 nan 0.000 0.443 360 E N -0.222 119.982 120.200 0.007 0.000 2.077 360 E HA -0.153 4.188 4.350 -0.015 0.000 0.193 360 E C 1.976 178.578 176.600 0.003 0.000 0.989 360 E CA 1.160 57.575 56.400 0.025 0.000 0.800 360 E CB -0.301 29.437 29.700 0.064 0.000 0.746 360 E HN 0.634 nan 8.360 nan 0.000 0.452 361 L N 0.390 121.606 121.223 -0.012 0.000 2.042 361 L HA -0.200 4.131 4.340 -0.015 0.000 0.210 361 L C 2.493 179.348 176.870 -0.026 0.000 1.076 361 L CA 0.805 55.638 54.840 -0.012 0.000 0.749 361 L CB -0.472 41.576 42.059 -0.018 0.000 0.893 361 L HN 0.066 nan 8.230 nan 0.000 0.432 362 V N -0.677 119.211 119.914 -0.042 0.000 2.295 362 V HA -0.247 3.864 4.120 -0.015 0.000 0.246 362 V C 2.437 178.506 176.094 -0.041 0.000 1.049 362 V CA 1.530 63.805 62.300 -0.042 0.000 1.024 362 V CB -0.150 31.646 31.823 -0.045 0.000 0.648 362 V HN 0.182 nan 8.190 nan 0.000 0.447 363 V N 0.263 120.146 119.914 -0.052 0.000 2.332 363 V HA -0.289 3.822 4.120 -0.015 0.000 0.248 363 V C 2.676 178.693 176.094 -0.128 0.000 1.055 363 V CA 2.139 64.382 62.300 -0.094 0.000 1.038 363 V CB -1.098 30.672 31.823 -0.089 0.000 0.651 363 V HN 0.576 nan 8.190 nan 0.000 0.450 364 A N -0.185 122.588 122.820 -0.077 0.000 1.898 364 A HA -0.238 4.073 4.320 -0.015 0.000 0.216 364 A C 2.197 179.746 177.584 -0.059 0.000 1.181 364 A CA 1.985 53.981 52.037 -0.069 0.000 0.620 364 A CB -0.465 18.532 19.000 -0.004 0.000 0.819 364 A HN 0.557 nan 8.150 nan 0.000 0.442 365 E N 0.292 120.479 120.200 -0.022 0.000 2.106 365 E HA -0.004 4.337 4.350 -0.015 0.000 0.192 365 E C 1.972 178.577 176.600 0.007 0.000 0.984 365 E CA 1.463 57.879 56.400 0.025 0.000 0.806 365 E CB -0.450 29.288 29.700 0.063 0.000 0.750 365 E HN 0.445 nan 8.360 nan 0.000 0.458 366 A N 0.568 123.364 122.820 -0.040 0.000 1.877 366 A HA -0.115 4.196 4.320 -0.015 0.000 0.216 366 A C 2.311 179.801 177.584 -0.157 0.000 1.186 366 A CA 1.407 53.404 52.037 -0.066 0.000 0.620 366 A CB -0.785 18.163 19.000 -0.085 0.000 0.822 366 A HN 0.335 nan 8.150 nan 0.000 0.443 367 L N -0.683 120.346 121.223 -0.324 0.000 2.012 367 L HA -0.242 4.089 4.340 -0.015 0.000 0.210 367 L C 3.140 179.843 176.870 -0.278 0.000 1.073 367 L CA 1.251 55.722 54.840 -0.615 0.000 0.748 367 L CB -0.647 40.737 42.059 -1.125 0.000 0.891 367 L HN 0.444 nan 8.230 nan 0.000 0.431 368 A N 0.160 122.914 122.820 -0.111 0.000 1.908 368 A HA -0.214 4.097 4.320 -0.015 0.000 0.218 368 A C 2.214 179.809 177.584 0.018 0.000 1.181 368 A CA 1.771 53.825 52.037 0.028 0.000 0.627 368 A CB -0.724 18.301 19.000 0.042 0.000 0.818 368 A HN 0.400 nan 8.150 nan 0.000 0.445 369 I N -2.297 118.272 120.570 -0.002 0.000 2.252 369 I HA -0.226 3.935 4.170 -0.015 0.000 0.245 369 I C 2.432 178.527 176.117 -0.036 0.000 1.102 369 I CA 1.531 62.817 61.300 -0.024 0.000 1.385 369 I CB -0.443 37.556 38.000 -0.002 0.000 1.064 369 I HN 0.526 nan 8.210 nan 0.000 0.414 370 Y N 1.946 122.175 120.300 -0.118 0.000 2.151 370 Y HA -0.352 4.189 4.550 -0.015 0.000 0.284 370 Y C 2.472 178.352 175.900 -0.033 0.000 1.166 370 Y CA 1.605 59.646 58.100 -0.098 0.000 1.163 370 Y CB -0.324 38.029 38.460 -0.177 0.000 0.974 370 Y HN 0.139 nan 8.280 nan 0.000 0.511 371 A N -0.161 122.661 122.820 0.002 0.000 1.854 371 A HA -0.165 4.146 4.320 -0.015 0.000 0.214 371 A C 2.076 179.593 177.584 -0.112 0.000 1.192 371 A CA 1.575 53.607 52.037 -0.008 0.000 0.611 371 A CB -0.607 18.509 19.000 0.194 0.000 0.832 371 A HN 0.499 nan 8.150 nan 0.000 0.442 372 Q N -0.437 119.310 119.800 -0.087 0.000 2.224 372 Q HA -0.069 4.262 4.340 -0.015 0.000 0.203 372 Q C 1.850 177.748 176.000 -0.170 0.000 0.970 372 Q CA 1.351 57.090 55.803 -0.107 0.000 0.865 372 Q CB -0.141 28.548 28.738 -0.081 0.000 0.922 372 Q HN 0.721 nan 8.270 nan 0.000 0.445 373 R N -1.877 118.478 120.500 -0.243 0.000 2.344 373 R HA 0.274 4.605 4.340 -0.015 0.000 0.209 373 R C 1.554 177.768 176.300 -0.143 0.000 0.886 373 R CA 0.090 55.984 56.100 -0.342 0.000 1.040 373 R CB 0.592 30.412 30.300 -0.800 0.000 1.114 373 R HN 0.120 nan 8.270 nan 0.000 0.547 374 M N -1.108 118.355 119.600 -0.228 0.000 2.312 374 M HA 0.318 4.789 4.480 -0.015 0.000 0.260 374 M C 0.104 176.294 176.300 -0.184 0.000 1.253 374 M CA 0.462 55.646 55.300 -0.194 0.000 1.114 374 M CB 1.191 33.473 32.600 -0.530 0.000 1.660 374 M HN -0.042 nan 8.290 nan 0.000 0.581 375 A N 1.184 123.756 122.820 -0.413 0.000 3.370 375 A HA 0.571 4.882 4.320 -0.015 0.000 0.295 375 A C -2.131 175.270 177.584 -0.305 0.000 1.030 375 A CA -0.910 50.917 52.037 -0.351 0.000 0.883 375 A CB 0.051 18.742 19.000 -0.516 0.000 1.191 375 A HN 0.040 nan 8.150 nan 0.000 0.507 376 P HA -0.234 nan 4.420 nan 0.000 0.218 376 P C 1.256 178.528 177.300 -0.046 0.000 1.146 376 P CA 1.609 64.662 63.100 -0.078 0.000 0.813 376 P CB -0.215 31.452 31.700 -0.054 0.000 0.778 377 H N -2.193 116.858 119.070 -0.032 0.000 2.567 377 H HA 0.113 4.660 4.556 -0.015 0.000 0.276 377 H C 1.136 176.441 175.328 -0.039 0.000 1.016 377 H CA 0.725 56.756 56.048 -0.027 0.000 1.186 377 H CB -0.578 29.175 29.762 -0.015 0.000 1.351 377 H HN 0.165 nan 8.280 nan 0.000 0.605 378 M N 0.198 119.587 119.600 -0.352 0.000 2.337 378 M HA 0.266 4.737 4.480 -0.015 0.000 0.256 378 M C 2.326 178.490 176.300 -0.227 0.000 1.075 378 M CA 0.481 55.584 55.300 -0.329 0.000 1.024 378 M CB 0.067 32.467 32.600 -0.332 0.000 1.429 378 M HN 0.322 nan 8.290 nan 0.000 0.497 379 A N 1.098 123.871 122.820 -0.078 0.000 2.104 379 A HA -0.182 4.129 4.320 -0.015 0.000 0.223 379 A C 1.951 179.527 177.584 -0.014 0.000 1.164 379 A CA 1.627 53.672 52.037 0.013 0.000 0.659 379 A CB -0.362 18.644 19.000 0.010 0.000 0.808 379 A HN 0.434 nan 8.150 nan 0.000 0.465 380 E N -0.567 119.575 120.200 -0.097 0.000 2.250 380 E HA 0.000 4.341 4.350 -0.015 0.000 0.192 380 E C 2.062 178.549 176.600 -0.188 0.000 0.986 380 E CA 0.898 57.240 56.400 -0.096 0.000 0.849 380 E CB -0.585 29.068 29.700 -0.078 0.000 0.797 380 E HN 0.429 nan 8.360 nan 0.000 0.482 381 V N 0.614 120.271 119.914 -0.428 0.000 2.469 381 V HA -0.179 3.932 4.120 -0.015 0.000 0.251 381 V C 0.852 176.577 176.094 -0.616 0.000 1.064 381 V CA 1.209 63.092 62.300 -0.696 0.000 1.066 381 V CB -0.324 30.743 31.823 -1.261 0.000 0.667 381 V HN 0.192 nan 8.190 nan 0.000 0.461 382 W N -0.864 120.434 121.300 -0.003 0.000 2.864 382 W HA 0.435 5.086 4.660 -0.014 0.000 0.343 382 W C -0.600 175.922 176.519 0.004 0.000 1.109 382 W CA -1.666 55.677 57.345 -0.002 0.000 1.192 382 W CB 0.476 29.915 29.460 -0.035 0.000 1.426 382 W HN 0.036 nan 8.180 nan 0.000 0.529 383 D N 1.463 122.012 120.400 0.249 0.000 2.515 383 D HA -0.060 4.571 4.640 -0.015 0.000 0.232 383 D C 0.454 176.839 176.300 0.142 0.000 1.157 383 D CA 0.707 54.797 54.000 0.149 0.000 0.871 383 D CB 0.936 41.807 40.800 0.119 0.000 1.200 383 D HN -0.049 nan 8.370 nan 0.000 0.466 384 K N 0.921 121.378 120.400 0.097 0.000 2.319 384 K HA 0.066 4.377 4.320 -0.015 0.000 0.265 384 K C 0.214 176.856 176.600 0.070 0.000 1.000 384 K CA -0.279 56.056 56.287 0.080 0.000 0.943 384 K CB 0.661 33.194 32.500 0.055 0.000 0.950 384 K HN 0.410 nan 8.250 nan 0.000 0.485 385 S N 1.545 117.283 115.700 0.063 0.000 2.558 385 S HA -0.030 4.431 4.470 -0.015 0.000 0.293 385 S C 1.012 175.647 174.600 0.057 0.000 1.292 385 S CA -0.428 57.808 58.200 0.061 0.000 1.063 385 S CB 0.607 63.845 63.200 0.062 0.000 0.831 385 S HN 0.437 nan 8.310 nan 0.000 0.499 386 V N 4.427 124.377 119.914 0.060 0.000 3.406 386 V HA 0.346 4.457 4.120 -0.015 0.000 0.263 386 V C 1.095 177.225 176.094 0.059 0.000 1.172 386 V CA 1.199 63.532 62.300 0.054 0.000 1.140 386 V CB -0.773 31.081 31.823 0.053 0.000 0.784 386 V HN 1.245 nan 8.190 nan 0.000 0.467 387 G N -1.744 107.103 108.800 0.078 0.000 2.841 387 G HA2 -0.179 3.772 3.960 -0.015 0.000 0.684 387 G HA3 -0.179 3.772 3.960 -0.015 0.000 0.684 387 G C -0.341 174.647 174.900 0.146 0.000 1.273 387 G CA -0.058 45.102 45.100 0.100 0.000 0.811 387 G HN 0.065 nan 8.290 nan 0.000 0.631 388 Y N 2.911 123.235 120.300 0.039 0.000 2.114 388 Y HA -0.038 4.503 4.550 -0.015 0.000 0.284 388 Y C 0.348 176.283 175.900 0.059 0.000 1.143 388 Y CA 2.937 61.070 58.100 0.055 0.000 1.135 388 Y CB -0.101 38.403 38.460 0.073 0.000 0.980 388 Y HN 0.494 nan 8.280 nan 0.000 0.499 389 P HA -0.133 nan 4.420 nan 0.000 0.222 389 P C 0.873 178.166 177.300 -0.010 0.000 1.153 389 P CA 1.652 64.766 63.100 0.023 0.000 0.798 389 P CB -0.122 31.615 31.700 0.061 0.000 0.796 390 E N -0.407 119.804 120.200 0.018 0.000 2.150 390 E HA -0.093 4.248 4.350 -0.015 0.000 0.193 390 E C 1.514 178.142 176.600 0.047 0.000 0.985 390 E CA 1.376 57.788 56.400 0.021 0.000 0.814 390 E CB -1.748 27.970 29.700 0.029 0.000 0.752 390 E HN 0.204 nan 8.360 nan 0.000 0.466 391 T N 2.112 116.680 114.554 0.024 0.000 2.777 391 T HA 0.000 4.341 4.350 -0.015 0.000 0.266 391 T C 2.111 176.819 174.700 0.013 0.000 1.040 391 T CA 0.952 63.061 62.100 0.015 0.000 1.141 391 T CB -0.100 68.746 68.868 -0.037 0.000 0.868 391 T HN 0.104 nan 8.240 nan 0.000 0.444 392 L N -0.701 120.472 121.223 -0.083 0.000 2.249 392 L HA 0.281 4.612 4.340 -0.015 0.000 0.207 392 L C 1.980 178.930 176.870 0.134 0.000 1.090 392 L CA 0.801 55.596 54.840 -0.076 0.000 0.802 392 L CB -0.126 41.752 42.059 -0.301 0.000 0.947 392 L HN 0.188 nan 8.230 nan 0.000 0.453 393 L N -1.610 119.637 121.223 0.041 0.000 2.766 393 L HA 0.268 4.599 4.340 -0.015 0.000 0.241 393 L C 1.997 178.724 176.870 -0.238 0.000 1.080 393 L CA 0.316 55.106 54.840 -0.082 0.000 0.909 393 L CB 0.165 42.158 42.059 -0.110 0.000 1.277 393 L HN 0.113 nan 8.230 nan 0.000 0.510 394 G N 0.376 109.102 108.800 -0.124 0.000 3.141 394 G HA2 0.024 3.975 3.960 -0.015 0.000 0.218 394 G HA3 0.024 3.975 3.960 -0.015 0.000 0.218 394 G C 0.477 175.382 174.900 0.008 0.000 1.170 394 G CA -0.310 44.724 45.100 -0.110 0.000 0.769 394 G HN 0.189 nan 8.290 nan 0.000 0.546 395 F N 0.288 120.234 119.950 -0.007 0.000 2.553 395 F HA 0.542 5.060 4.527 -0.016 0.000 0.356 395 F C 0.421 176.084 175.800 -0.228 0.000 1.142 395 F CA -1.572 56.376 58.000 -0.086 0.000 1.322 395 F CB 0.683 39.583 39.000 -0.166 0.000 1.126 395 F HN -0.105 nan 8.300 nan 0.000 0.599 396 R N 2.672 123.093 120.500 -0.132 0.000 2.637 396 R HA 0.379 4.710 4.340 -0.015 0.000 0.291 396 R C -1.714 174.514 176.300 -0.119 0.000 0.963 396 R CA -0.866 54.895 56.100 -0.565 0.000 0.901 396 R CB 0.982 30.608 30.300 -1.123 0.000 1.160 396 R HN 0.716 nan 8.270 nan 0.000 0.457 397 Y N 2.764 122.980 120.300 -0.139 0.000 2.334 397 Y HA 0.430 4.970 4.550 -0.016 0.000 0.328 397 Y C 0.230 176.064 175.900 -0.110 0.000 1.130 397 Y CA -0.912 57.142 58.100 -0.075 0.000 1.163 397 Y CB 1.237 39.694 38.460 -0.006 0.000 1.207 397 Y HN 0.290 nan 8.280 nan 0.000 0.471 398 R N 1.988 122.530 120.500 0.070 0.000 2.561 398 R HA 0.749 5.079 4.340 -0.015 0.000 0.297 398 R C -0.633 175.662 176.300 -0.007 0.000 0.969 398 R CA -0.658 55.453 56.100 0.018 0.000 0.879 398 R CB 1.841 32.135 30.300 -0.010 0.000 1.178 398 R HN 0.826 nan 8.270 nan 0.000 0.445 399 S N -0.717 114.990 115.700 0.011 0.000 2.669 399 S HA 0.078 4.539 4.470 -0.015 0.000 0.266 399 S C 0.575 175.195 174.600 0.034 0.000 1.149 399 S CA -0.166 58.033 58.200 -0.002 0.000 0.842 399 S CB 0.564 63.742 63.200 -0.037 0.000 1.160 399 S HN 0.490 nan 8.310 nan 0.000 0.487 400 S N 0.011 115.730 115.700 0.033 0.000 2.537 400 S HA 0.158 4.619 4.470 -0.015 0.000 0.240 400 S C 1.310 175.964 174.600 0.090 0.000 0.981 400 S CA 0.668 58.900 58.200 0.052 0.000 0.948 400 S CB -0.686 62.538 63.200 0.040 0.000 0.759 400 S HN 1.572 nan 8.310 nan 0.000 0.531 401 A N 0.380 123.268 122.820 0.113 0.000 2.465 401 A HA 0.641 4.952 4.320 -0.015 0.000 0.255 401 A C 0.152 177.862 177.584 0.211 0.000 1.274 401 A CA -0.322 51.832 52.037 0.195 0.000 0.920 401 A CB 0.364 19.512 19.000 0.246 0.000 1.033 401 A HN 0.367 nan 8.150 nan 0.000 0.516 402 V N 1.430 121.438 119.914 0.155 0.000 2.447 402 V HA 0.277 4.388 4.120 -0.015 0.000 0.292 402 V C -0.522 175.653 176.094 0.134 0.000 1.021 402 V CA -0.315 62.074 62.300 0.148 0.000 0.850 402 V CB 1.577 33.468 31.823 0.113 0.000 1.005 402 V HN 0.374 nan 8.190 nan 0.000 0.426 403 L N 4.973 126.303 121.223 0.179 0.000 2.397 403 L HA 0.631 4.962 4.340 -0.015 0.000 0.263 403 L C 0.637 177.591 176.870 0.140 0.000 1.136 403 L CA -0.077 54.878 54.840 0.192 0.000 1.019 403 L CB 0.685 42.939 42.059 0.326 0.000 1.352 403 L HN 0.718 nan 8.230 nan 0.000 0.420 404 A N 1.564 124.435 122.820 0.085 0.000 2.306 404 A HA 0.576 4.887 4.320 -0.015 0.000 0.314 404 A C 0.945 178.555 177.584 0.043 0.000 1.164 404 A CA -0.328 51.736 52.037 0.045 0.000 0.822 404 A CB 1.052 20.067 19.000 0.026 0.000 1.130 404 A HN 0.591 nan 8.150 nan 0.000 0.496 405 T N 0.935 115.502 114.554 0.022 0.000 2.983 405 T HA 0.020 4.360 4.350 -0.015 0.000 0.250 405 T C 0.661 175.372 174.700 0.019 0.000 1.037 405 T CA 1.324 63.437 62.100 0.021 0.000 1.142 405 T CB -0.421 68.448 68.868 0.003 0.000 0.876 405 T HN 0.956 nan 8.240 nan 0.000 0.455 406 D N 0.808 121.216 120.400 0.014 0.000 2.384 406 D HA 0.163 4.794 4.640 -0.015 0.000 0.244 406 D C -0.401 175.910 176.300 0.018 0.000 1.251 406 D CA -0.470 53.539 54.000 0.016 0.000 0.961 406 D CB 0.481 41.292 40.800 0.018 0.000 1.116 406 D HN -0.079 nan 8.370 nan 0.000 0.484 407 D N -0.023 120.387 120.400 0.017 0.000 2.405 407 D HA 0.106 4.737 4.640 -0.015 0.000 0.264 407 D C -1.538 174.773 176.300 0.017 0.000 1.240 407 D CA -0.467 53.542 54.000 0.016 0.000 0.893 407 D CB 0.570 41.378 40.800 0.013 0.000 1.198 407 D HN 0.401 nan 8.370 nan 0.000 0.514 408 D N 2.469 122.883 120.400 0.024 0.000 2.249 408 D HA 0.201 4.832 4.640 -0.015 0.000 0.246 408 D C -1.362 174.954 176.300 0.027 0.000 1.114 408 D CA -1.842 52.176 54.000 0.030 0.000 0.854 408 D CB 2.001 42.829 40.800 0.046 0.000 1.132 408 D HN 0.106 nan 8.370 nan 0.000 0.461 409 P HA 0.099 nan 4.420 nan 0.000 0.241 409 P C 0.149 177.464 177.300 0.024 0.000 1.191 409 P CA -0.079 63.031 63.100 0.018 0.000 0.771 409 P CB 0.066 31.776 31.700 0.016 0.000 0.929 410 A N 0.986 123.830 122.820 0.040 0.000 2.540 410 A HA 0.051 4.362 4.320 -0.015 0.000 0.239 410 A C 1.152 178.769 177.584 0.054 0.000 1.061 410 A CA 0.115 52.186 52.037 0.056 0.000 0.758 410 A CB -0.062 18.985 19.000 0.078 0.000 0.991 410 A HN 0.046 nan 8.150 nan 0.000 0.502 411 R N 0.294 120.825 120.500 0.053 0.000 2.362 411 R HA 0.253 4.584 4.340 -0.015 0.000 0.227 411 R C -0.043 176.303 176.300 0.076 0.000 0.905 411 R CA 0.816 56.937 56.100 0.036 0.000 1.067 411 R CB 0.467 30.787 30.300 0.034 0.000 1.078 411 R HN 0.752 nan 8.270 nan 0.000 0.516 412 V N -2.249 117.745 119.914 0.132 0.000 3.188 412 V HA 0.576 4.686 4.120 -0.015 0.000 0.305 412 V C -1.170 175.046 176.094 0.203 0.000 1.232 412 V CA -1.185 61.227 62.300 0.188 0.000 1.043 412 V CB 2.291 34.180 31.823 0.110 0.000 1.068 412 V HN 0.206 nan 8.190 nan 0.000 0.439 413 E N 1.152 121.434 120.200 0.136 0.000 2.416 413 E HA 0.391 4.732 4.350 -0.015 0.000 0.273 413 E C -1.068 175.471 176.600 -0.102 0.000 0.935 413 E CA -0.948 55.411 56.400 -0.069 0.000 0.784 413 E CB 2.062 31.521 29.700 -0.401 0.000 1.301 413 E HN 0.762 nan 8.360 nan 0.000 0.454 414 N N 1.963 120.595 118.700 -0.114 0.000 2.440 414 N HA 0.014 4.745 4.740 -0.015 0.000 0.265 414 N C -1.542 173.882 175.510 -0.144 0.000 1.239 414 N CA -1.110 51.883 53.050 -0.096 0.000 0.909 414 N CB 0.875 39.317 38.487 -0.076 0.000 1.066 414 N HN 0.351 nan 8.380 nan 0.000 0.474 415 P HA -0.055 nan 4.420 nan 0.000 0.229 415 P C 1.301 178.529 177.300 -0.120 0.000 1.160 415 P CA 0.775 63.787 63.100 -0.146 0.000 0.777 415 P CB 0.334 31.966 31.700 -0.114 0.000 0.814 416 L N -0.398 120.773 121.223 -0.087 0.000 2.240 416 L HA 0.029 4.360 4.340 -0.015 0.000 0.211 416 L C 1.034 177.856 176.870 -0.080 0.000 1.106 416 L CA 1.288 56.089 54.840 -0.065 0.000 0.793 416 L CB -0.929 41.106 42.059 -0.040 0.000 0.927 416 L HN 0.057 nan 8.230 nan 0.000 0.446 417 T N -1.909 112.579 114.554 -0.108 0.000 3.331 417 T HA 0.406 4.747 4.350 -0.015 0.000 0.381 417 T C -2.437 172.153 174.700 -0.184 0.000 1.656 417 T CA -1.695 60.333 62.100 -0.121 0.000 1.453 417 T CB 0.601 69.410 68.868 -0.098 0.000 1.066 417 T HN -0.132 nan 8.240 nan 0.000 0.655 418 P HA 0.238 nan 4.420 nan 0.000 0.274 418 P C 0.886 177.989 177.300 -0.329 0.000 1.237 418 P CA -0.484 62.420 63.100 -0.326 0.000 0.793 418 P CB 1.339 32.850 31.700 -0.315 0.000 0.977 419 S N -0.502 114.937 115.700 -0.435 0.000 2.503 419 S HA 0.165 4.626 4.470 -0.015 0.000 0.217 419 S C 1.608 176.045 174.600 -0.273 0.000 0.999 419 S CA 0.615 58.623 58.200 -0.320 0.000 0.914 419 S CB -1.131 61.872 63.200 -0.329 0.000 0.782 419 S HN 0.803 nan 8.310 nan 0.000 0.520 420 G N 2.050 110.645 108.800 -0.342 0.000 2.175 420 G HA2 -0.315 3.636 3.960 -0.015 0.000 0.265 420 G HA3 -0.315 3.636 3.960 -0.015 0.000 0.265 420 G C 0.187 174.996 174.900 -0.152 0.000 0.979 420 G CA 0.320 45.232 45.100 -0.313 0.000 0.663 420 G HN 0.612 nan 8.290 nan 0.000 0.533 421 R N 0.536 121.000 120.500 -0.060 0.000 2.694 421 R HA 0.285 4.616 4.340 -0.015 0.000 0.268 421 R C -2.224 174.147 176.300 0.119 0.000 1.061 421 R CA -1.434 54.707 56.100 0.068 0.000 1.133 421 R CB 0.005 30.422 30.300 0.195 0.000 1.020 421 R HN 0.083 nan 8.270 nan 0.000 0.475 422 P HA -0.128 nan 4.420 nan 0.000 0.264 422 P C 0.681 177.967 177.300 -0.024 0.000 1.179 422 P CA 1.332 64.446 63.100 0.023 0.000 0.763 422 P CB 0.463 32.181 31.700 0.030 0.000 0.806 423 G N 0.994 109.754 108.800 -0.066 0.000 2.258 423 G HA2 -0.230 3.721 3.960 -0.015 0.000 0.233 423 G HA3 -0.230 3.721 3.960 -0.015 0.000 0.233 423 G C -0.029 174.620 174.900 -0.419 0.000 1.006 423 G CA -0.476 44.505 45.100 -0.198 0.000 0.620 423 G HN 0.403 nan 8.290 nan 0.000 0.511 424 F N 1.158 120.966 119.950 -0.236 0.000 2.408 424 F HA 0.717 5.235 4.527 -0.016 0.000 0.325 424 F C 1.343 176.891 175.800 -0.420 0.000 1.082 424 F CA -1.008 56.753 58.000 -0.398 0.000 1.032 424 F CB 0.678 39.475 39.000 -0.338 0.000 1.259 424 F HN -0.086 nan 8.300 nan 0.000 0.503 425 R N 0.537 120.836 120.500 -0.335 0.000 2.537 425 R HA 0.155 4.486 4.340 -0.015 0.000 0.281 425 R C 0.315 176.503 176.300 -0.187 0.000 0.988 425 R CA 0.052 55.989 56.100 -0.272 0.000 1.077 425 R CB -0.049 30.077 30.300 -0.291 0.000 0.932 425 R HN 0.879 nan 8.270 nan 0.000 0.409 426 G N 5.251 113.981 108.800 -0.116 0.000 2.225 426 G HA2 0.035 3.986 3.960 -0.015 0.000 0.245 426 G HA3 0.035 3.986 3.960 -0.015 0.000 0.245 426 G C -2.177 172.693 174.900 -0.050 0.000 1.249 426 G CA -0.838 44.226 45.100 -0.059 0.000 0.919 426 G HN 0.370 nan 8.290 nan 0.000 0.486 427 P HA -0.017 nan 4.420 nan 0.000 0.268 427 P C -0.072 177.292 177.300 0.107 0.000 1.208 427 P CA 0.129 63.110 63.100 -0.199 0.000 0.777 427 P CB 0.448 31.929 31.700 -0.364 0.000 0.875 428 H N 2.558 121.613 119.070 -0.025 0.000 2.819 428 H HA 0.386 4.933 4.556 -0.016 0.000 0.303 428 H C -0.977 174.352 175.328 0.001 0.000 1.058 428 H CA 0.218 56.256 56.048 -0.017 0.000 1.471 428 H CB -0.097 29.634 29.762 -0.053 0.000 1.480 428 H HN -0.016 nan 8.280 nan 0.000 0.517 429 V N 7.175 126.885 119.914 -0.340 0.000 2.733 429 V HA 0.167 4.278 4.120 -0.015 0.000 0.306 429 V C -0.352 175.505 176.094 -0.395 0.000 1.084 429 V CA -0.957 61.128 62.300 -0.360 0.000 0.905 429 V CB 1.962 33.723 31.823 -0.104 0.000 1.010 429 V HN 0.689 nan 8.190 nan 0.000 0.424 430 L N 5.645 126.644 121.223 -0.372 0.000 2.367 430 L HA 0.691 5.022 4.340 -0.015 0.000 0.275 430 L C 0.014 176.779 176.870 -0.175 0.000 1.129 430 L CA -0.028 54.672 54.840 -0.234 0.000 0.839 430 L CB 0.971 42.932 42.059 -0.163 0.000 1.133 430 L HN 0.638 nan 8.230 nan 0.000 0.453 431 V N -0.017 119.795 119.914 -0.170 0.000 3.112 431 V HA 0.903 5.014 4.120 -0.015 0.000 0.310 431 V C -0.596 175.399 176.094 -0.165 0.000 1.364 431 V CA -0.654 61.544 62.300 -0.170 0.000 1.058 431 V CB 1.960 33.652 31.823 -0.218 0.000 1.079 431 V HN 0.756 nan 8.190 nan 0.000 0.463 432 S N -0.006 115.587 115.700 -0.177 0.000 2.541 432 S HA 0.672 5.133 4.470 -0.015 0.000 0.271 432 S C -1.051 173.407 174.600 -0.237 0.000 1.133 432 S CA -0.981 57.118 58.200 -0.169 0.000 0.876 432 S CB 2.210 65.345 63.200 -0.107 0.000 1.105 432 S HN 0.913 nan 8.310 nan 0.000 0.470 433 R N 2.335 122.684 120.500 -0.251 0.000 2.280 433 R HA 0.337 4.668 4.340 -0.015 0.000 0.326 433 R C -0.285 175.866 176.300 -0.247 0.000 1.080 433 R CA -0.547 55.308 56.100 -0.407 0.000 1.002 433 R CB -0.180 29.939 30.300 -0.302 0.000 1.136 433 R HN 0.868 nan 8.270 nan 0.000 0.509 434 H N 0.694 119.748 119.070 -0.028 0.000 3.179 434 H HA -0.216 4.330 4.556 -0.016 0.000 0.250 434 H C 1.067 176.386 175.328 -0.014 0.000 1.142 434 H CA 1.446 57.486 56.048 -0.012 0.000 1.165 434 H CB -1.216 28.547 29.762 0.001 0.000 1.253 434 H HN 0.999 nan 8.280 nan 0.000 0.325 435 G N -0.095 108.727 108.800 0.037 0.000 2.813 435 G HA2 -0.183 3.768 3.960 -0.015 0.000 0.194 435 G HA3 -0.183 3.768 3.960 -0.015 0.000 0.194 435 G C -0.023 174.874 174.900 -0.004 0.000 1.010 435 G CA 0.120 45.233 45.100 0.020 0.000 0.771 435 G HN 0.488 nan 8.290 nan 0.000 0.485 436 E N 1.721 121.913 120.200 -0.014 0.000 2.152 436 E HA 0.503 4.844 4.350 -0.015 0.000 0.285 436 E C -0.001 176.561 176.600 -0.064 0.000 1.043 436 E CA -0.669 55.714 56.400 -0.028 0.000 0.839 436 E CB 0.404 30.093 29.700 -0.018 0.000 1.069 436 E HN 0.067 nan 8.360 nan 0.000 0.399 437 R N 4.792 125.260 120.500 -0.053 0.000 2.254 437 R HA 0.492 4.823 4.340 -0.015 0.000 0.318 437 R C -0.559 175.700 176.300 -0.069 0.000 1.031 437 R CA -0.378 55.683 56.100 -0.066 0.000 0.905 437 R CB 0.546 30.820 30.300 -0.044 0.000 1.050 437 R HN 0.625 nan 8.270 nan 0.000 0.456 438 L N 0.212 121.376 121.223 -0.099 0.000 2.479 438 L HA 0.304 4.635 4.340 -0.015 0.000 0.255 438 L C -0.055 176.747 176.870 -0.115 0.000 1.026 438 L CA -0.818 53.962 54.840 -0.099 0.000 0.842 438 L CB 2.333 44.312 42.059 -0.134 0.000 1.444 438 L HN 0.460 nan 8.230 nan 0.000 0.409 439 S N -0.588 115.067 115.700 -0.075 0.000 2.545 439 S HA 0.117 4.578 4.470 -0.015 0.000 0.275 439 S C 1.321 175.800 174.600 -0.201 0.000 1.299 439 S CA 0.081 58.238 58.200 -0.071 0.000 1.048 439 S CB 1.072 64.367 63.200 0.158 0.000 0.938 439 S HN 0.782 nan 8.310 nan 0.000 0.496 440 T N 2.900 117.304 114.554 -0.249 0.000 2.795 440 T HA -0.167 4.174 4.350 -0.015 0.000 0.266 440 T C 1.631 175.883 174.700 -0.748 0.000 1.056 440 T CA 1.894 63.757 62.100 -0.395 0.000 1.141 440 T CB -0.668 68.094 68.868 -0.176 0.000 0.840 440 T HN 0.440 nan 8.240 nan 0.000 0.493 441 V N 2.248 121.916 119.914 -0.410 0.000 2.453 441 V HA -0.094 4.017 4.120 -0.015 0.000 0.247 441 V C 2.359 178.216 176.094 -0.395 0.000 1.048 441 V CA 1.763 63.827 62.300 -0.394 0.000 1.049 441 V CB -0.500 31.291 31.823 -0.053 0.000 0.672 441 V HN 0.488 nan 8.190 nan 0.000 0.457 442 D N 0.256 120.491 120.400 -0.276 0.000 2.350 442 D HA -0.065 4.566 4.640 -0.015 0.000 0.216 442 D C 1.916 178.096 176.300 -0.200 0.000 0.968 442 D CA 0.798 54.690 54.000 -0.182 0.000 0.894 442 D CB -0.022 40.709 40.800 -0.116 0.000 0.909 442 D HN 0.375 nan 8.370 nan 0.000 0.520 443 L N -0.481 120.510 121.223 -0.388 0.000 2.478 443 L HA 0.045 4.376 4.340 -0.015 0.000 0.223 443 L C 0.880 177.754 176.870 0.007 0.000 1.140 443 L CA 0.304 55.010 54.840 -0.223 0.000 0.842 443 L CB -0.199 41.688 42.059 -0.288 0.000 0.953 443 L HN -0.096 nan 8.230 nan 0.000 0.452 444 F N -1.041 118.922 119.950 0.021 0.000 2.408 444 F HA 0.519 5.036 4.527 -0.016 0.000 0.325 444 F C 1.411 177.189 175.800 -0.037 0.000 1.082 444 F CA -0.258 57.727 58.000 -0.024 0.000 1.032 444 F CB 1.375 40.336 39.000 -0.065 0.000 1.259 444 F HN -0.046 nan 8.300 nan 0.000 0.503 445 G N 0.772 109.645 108.800 0.121 0.000 2.238 445 G HA2 -0.283 3.668 3.960 -0.015 0.000 0.217 445 G HA3 -0.283 3.668 3.960 -0.015 0.000 0.217 445 G C 0.659 175.580 174.900 0.035 0.000 0.996 445 G CA 0.260 45.390 45.100 0.051 0.000 0.632 445 G HN 0.628 nan 8.290 nan 0.000 0.503 446 D N 0.649 121.084 120.400 0.059 0.000 2.087 446 D HA 0.250 4.881 4.640 -0.015 0.000 0.203 446 D C 2.050 178.377 176.300 0.046 0.000 0.976 446 D CA 2.670 56.706 54.000 0.060 0.000 0.865 446 D CB -0.579 40.267 40.800 0.077 0.000 1.005 446 D HN 0.631 nan 8.370 nan 0.000 0.449 447 G N -1.876 106.966 108.800 0.071 0.000 3.069 447 G HA2 0.315 4.266 3.960 -0.015 0.000 0.205 447 G HA3 0.315 4.266 3.960 -0.015 0.000 0.205 447 G C -1.008 173.897 174.900 0.009 0.000 1.771 447 G CA -0.382 44.794 45.100 0.126 0.000 0.739 447 G HN 0.172 nan 8.290 nan 0.000 0.784 448 W N 0.981 122.255 121.300 -0.044 0.000 2.496 448 W HA 0.674 5.324 4.660 -0.016 0.000 0.327 448 W C -0.366 176.140 176.519 -0.021 0.000 1.086 448 W CA -0.235 57.074 57.345 -0.061 0.000 1.222 448 W CB 1.676 31.105 29.460 -0.051 0.000 1.304 448 W HN 0.132 nan 8.180 nan 0.000 0.547 449 T N 4.051 118.694 114.554 0.148 0.000 2.829 449 T HA 0.591 4.932 4.350 -0.015 0.000 0.280 449 T C -1.310 173.479 174.700 0.149 0.000 0.999 449 T CA -0.641 61.560 62.100 0.168 0.000 0.983 449 T CB 1.123 70.192 68.868 0.336 0.000 0.968 449 T HN 0.318 nan 8.240 nan 0.000 0.446 450 L N 4.106 125.407 121.223 0.130 0.000 2.333 450 L HA 0.650 4.981 4.340 -0.015 0.000 0.280 450 L C -1.441 175.490 176.870 0.102 0.000 1.004 450 L CA -0.801 54.107 54.840 0.112 0.000 0.820 450 L CB 0.801 42.924 42.059 0.107 0.000 1.247 450 L HN 0.572 nan 8.230 nan 0.000 0.416 451 L N 5.580 126.833 121.223 0.051 0.000 2.287 451 L HA 0.772 5.103 4.340 -0.015 0.000 0.287 451 L C -0.041 176.803 176.870 -0.043 0.000 1.022 451 L CA -0.484 54.357 54.840 0.002 0.000 0.814 451 L CB 1.571 43.537 42.059 -0.155 0.000 1.217 451 L HN 0.734 nan 8.230 nan 0.000 0.420 452 A N 2.271 125.100 122.820 0.015 0.000 2.340 452 A HA 0.804 5.115 4.320 -0.015 0.000 0.331 452 A C 0.258 177.869 177.584 0.046 0.000 1.140 452 A CA -0.341 51.716 52.037 0.033 0.000 0.801 452 A CB 1.336 20.442 19.000 0.176 0.000 1.234 452 A HN 0.731 nan 8.150 nan 0.000 0.469 453 G N -0.446 108.393 108.800 0.065 0.000 2.594 453 G HA2 0.325 4.276 3.960 -0.015 0.000 0.243 453 G HA3 0.325 4.276 3.960 -0.015 0.000 0.243 453 G C 0.638 175.592 174.900 0.090 0.000 1.229 453 G CA 0.357 45.496 45.100 0.065 0.000 0.843 453 G HN 0.943 nan 8.290 nan 0.000 0.578 454 E N -0.117 120.118 120.200 0.059 0.000 2.217 454 E HA -0.250 4.091 4.350 -0.015 0.000 0.219 454 E C 2.047 178.690 176.600 0.073 0.000 1.070 454 E CA 1.509 57.942 56.400 0.056 0.000 0.889 454 E CB -0.096 29.628 29.700 0.039 0.000 0.768 454 E HN 0.478 nan 8.360 nan 0.000 0.465 455 L N -0.988 120.287 121.223 0.088 0.000 2.607 455 L HA 0.144 4.475 4.340 -0.015 0.000 0.228 455 L C 1.525 178.463 176.870 0.114 0.000 1.123 455 L CA 0.133 55.023 54.840 0.084 0.000 0.890 455 L CB 0.518 42.620 42.059 0.072 0.000 1.103 455 L HN 0.046 nan 8.230 nan 0.000 0.468 456 G N -0.234 108.678 108.800 0.187 0.000 3.581 456 G HA2 0.290 4.241 3.960 -0.015 0.000 0.255 456 G HA3 0.290 4.241 3.960 -0.015 0.000 0.255 456 G C 1.190 176.227 174.900 0.228 0.000 1.121 456 G CA 0.476 45.766 45.100 0.317 0.000 1.739 456 G HN 0.306 nan 8.290 nan 0.000 0.646 457 A N 1.226 124.111 122.820 0.108 0.000 2.015 457 A HA -0.049 4.262 4.320 -0.015 0.000 0.219 457 A C 2.196 179.805 177.584 0.041 0.000 1.163 457 A CA 1.702 53.786 52.037 0.079 0.000 0.646 457 A CB -0.066 18.961 19.000 0.045 0.000 0.806 457 A HN 0.500 nan 8.150 nan 0.000 0.448 458 D N -0.839 119.535 120.400 -0.043 0.000 2.144 458 D HA -0.237 4.394 4.640 -0.015 0.000 0.199 458 D C 1.648 177.886 176.300 -0.104 0.000 0.984 458 D CA 1.084 54.999 54.000 -0.141 0.000 0.834 458 D CB -0.918 39.711 40.800 -0.285 0.000 0.955 458 D HN 0.720 nan 8.370 nan 0.000 0.465 459 W N 0.809 122.136 121.300 0.045 0.000 2.374 459 W HA -0.029 4.622 4.660 -0.015 0.000 0.288 459 W C 2.578 179.119 176.519 0.037 0.000 1.218 459 W CA 0.400 57.778 57.345 0.056 0.000 1.245 459 W CB -0.275 29.239 29.460 0.090 0.000 1.126 459 W HN -0.144 nan 8.180 nan 0.000 0.545 460 V N 0.562 120.619 119.914 0.238 0.000 2.323 460 V HA -0.267 3.844 4.120 -0.015 0.000 0.244 460 V C 2.393 178.539 176.094 0.086 0.000 1.041 460 V CA 1.990 64.374 62.300 0.141 0.000 1.025 460 V CB -1.452 30.436 31.823 0.107 0.000 0.656 460 V HN 0.205 nan 8.190 nan 0.000 0.451 461 A N 0.157 123.012 122.820 0.059 0.000 1.917 461 A HA -0.201 4.110 4.320 -0.015 0.000 0.219 461 A C 2.407 180.007 177.584 0.026 0.000 1.182 461 A CA 2.286 54.338 52.037 0.026 0.000 0.633 461 A CB -0.832 18.169 19.000 0.000 0.000 0.819 461 A HN 0.597 nan 8.150 nan 0.000 0.448 462 A N -0.278 122.568 122.820 0.045 0.000 1.972 462 A HA 0.151 4.461 4.320 -0.015 0.000 0.219 462 A C 2.468 180.083 177.584 0.052 0.000 1.169 462 A CA 2.018 54.084 52.037 0.047 0.000 0.635 462 A CB -0.926 18.131 19.000 0.095 0.000 0.810 462 A HN 1.106 nan 8.150 nan 0.000 0.446 463 A N -0.534 122.332 122.820 0.077 0.000 1.933 463 A HA -0.158 4.153 4.320 -0.015 0.000 0.218 463 A C 1.997 179.591 177.584 0.017 0.000 1.175 463 A CA 1.605 53.673 52.037 0.052 0.000 0.628 463 A CB -0.358 18.676 19.000 0.057 0.000 0.814 463 A HN 0.536 nan 8.150 nan 0.000 0.444 464 E N -0.445 119.763 120.200 0.013 0.000 2.112 464 E HA -0.029 4.311 4.350 -0.015 0.000 0.190 464 E C 2.368 178.964 176.600 -0.007 0.000 0.979 464 E CA 0.916 57.316 56.400 0.001 0.000 0.814 464 E CB -0.274 29.427 29.700 0.002 0.000 0.762 464 E HN 0.575 nan 8.360 nan 0.000 0.460 465 A N 1.055 123.871 122.820 -0.007 0.000 1.898 465 A HA -0.120 4.191 4.320 -0.015 0.000 0.216 465 A C 2.515 180.083 177.584 -0.027 0.000 1.181 465 A CA 1.223 53.250 52.037 -0.017 0.000 0.620 465 A CB -0.535 18.454 19.000 -0.019 0.000 0.819 465 A HN 0.108 nan 8.150 nan 0.000 0.442 466 V N -0.269 119.626 119.914 -0.032 0.000 2.379 466 V HA -0.176 3.935 4.120 -0.015 0.000 0.245 466 V C 2.727 178.783 176.094 -0.064 0.000 1.044 466 V CA 2.066 64.333 62.300 -0.056 0.000 1.036 466 V CB -0.889 30.892 31.823 -0.070 0.000 0.664 466 V HN 0.531 nan 8.190 nan 0.000 0.453 467 S N 0.782 116.454 115.700 -0.047 0.000 2.359 467 S HA -0.260 4.201 4.470 -0.015 0.000 0.223 467 S C 2.290 176.869 174.600 -0.034 0.000 1.039 467 S CA 1.739 59.915 58.200 -0.041 0.000 1.042 467 S CB -0.677 62.514 63.200 -0.016 0.000 0.915 467 S HN 0.658 nan 8.310 nan 0.000 0.439 468 A N 1.624 124.429 122.820 -0.024 0.000 1.908 468 A HA -0.184 4.127 4.320 -0.015 0.000 0.218 468 A C 2.143 179.711 177.584 -0.027 0.000 1.181 468 A CA 1.576 53.601 52.037 -0.020 0.000 0.627 468 A CB -0.580 18.411 19.000 -0.015 0.000 0.818 468 A HN 0.352 nan 8.150 nan 0.000 0.445 469 E N -0.012 120.167 120.200 -0.036 0.000 2.031 469 E HA -0.124 4.217 4.350 -0.015 0.000 0.193 469 E C 1.957 178.530 176.600 -0.045 0.000 0.994 469 E CA 1.336 57.712 56.400 -0.040 0.000 0.800 469 E CB -0.312 29.360 29.700 -0.048 0.000 0.752 469 E HN 0.673 nan 8.360 nan 0.000 0.447 470 L N -1.040 120.146 121.223 -0.062 0.000 2.509 470 L HA 0.182 4.513 4.340 -0.015 0.000 0.222 470 L C 1.283 178.121 176.870 -0.053 0.000 1.123 470 L CA 0.444 55.242 54.840 -0.071 0.000 0.856 470 L CB -0.134 41.856 42.059 -0.116 0.000 0.985 470 L HN 0.226 nan 8.230 nan 0.000 0.456 471 G N 1.306 110.083 108.800 -0.039 0.000 2.198 471 G HA2 -0.226 3.725 3.960 -0.015 0.000 0.257 471 G HA3 -0.226 3.725 3.960 -0.015 0.000 0.257 471 G C -0.120 174.772 174.900 -0.013 0.000 1.042 471 G CA 0.171 45.260 45.100 -0.019 0.000 0.791 471 G HN 0.147 nan 8.290 nan 0.000 0.502 472 V N 0.670 120.562 119.914 -0.037 0.000 2.604 472 V HA 0.586 4.697 4.120 -0.015 0.000 0.305 472 V C -1.928 174.172 176.094 0.011 0.000 1.043 472 V CA -2.011 60.273 62.300 -0.027 0.000 0.888 472 V CB 2.230 33.954 31.823 -0.165 0.000 0.995 472 V HN 0.149 nan 8.190 nan 0.000 0.429 473 P HA 0.211 nan 4.420 nan 0.000 0.271 473 P C -0.793 176.585 177.300 0.130 0.000 1.233 473 P CA 0.009 63.165 63.100 0.093 0.000 0.764 473 P CB 0.725 32.490 31.700 0.109 0.000 0.825 474 V N 4.873 124.828 119.914 0.070 0.000 2.326 474 V HA 0.351 4.462 4.120 -0.015 0.000 0.281 474 V C 0.532 176.639 176.094 0.023 0.000 1.015 474 V CA -0.773 61.575 62.300 0.079 0.000 0.823 474 V CB 0.983 32.833 31.823 0.045 0.000 1.009 474 V HN 0.404 nan 8.190 nan 0.000 0.436 475 R N 4.099 124.603 120.500 0.006 0.000 2.234 475 R HA 0.702 5.033 4.340 -0.015 0.000 0.324 475 R C -0.175 176.000 176.300 -0.209 0.000 1.054 475 R CA 0.233 56.254 56.100 -0.132 0.000 0.912 475 R CB 1.015 31.224 30.300 -0.152 0.000 1.030 475 R HN 0.808 nan 8.270 nan 0.000 0.455 476 A N 4.635 127.299 122.820 -0.260 0.000 2.330 476 A HA 0.606 4.917 4.320 -0.015 0.000 0.327 476 A C -1.615 175.794 177.584 -0.292 0.000 1.155 476 A CA -0.532 51.404 52.037 -0.169 0.000 0.803 476 A CB 0.719 19.708 19.000 -0.018 0.000 1.208 476 A HN 0.700 nan 8.150 nan 0.000 0.477 477 Y N 0.523 120.851 120.300 0.046 0.000 2.391 477 Y HA 0.615 5.155 4.550 -0.017 0.000 0.341 477 Y C 0.332 176.238 175.900 0.009 0.000 0.965 477 Y CA -0.601 57.507 58.100 0.013 0.000 1.067 477 Y CB 2.041 40.487 38.460 -0.024 0.000 1.199 477 Y HN 0.787 nan 8.280 nan 0.000 0.450 478 R N 2.164 122.780 120.500 0.195 0.000 2.494 478 R HA 0.711 5.042 4.340 -0.015 0.000 0.305 478 R C -1.361 174.977 176.300 0.063 0.000 0.959 478 R CA -0.751 55.419 56.100 0.116 0.000 0.864 478 R CB 1.275 31.644 30.300 0.115 0.000 1.159 478 R HN 0.570 nan 8.270 nan 0.000 0.446 479 V N 3.849 123.780 119.914 0.028 0.000 2.763 479 V HA 0.135 4.246 4.120 -0.015 0.000 0.306 479 V C 1.457 177.556 176.094 0.009 0.000 1.059 479 V CA 1.530 63.826 62.300 -0.007 0.000 1.138 479 V CB 1.144 32.959 31.823 -0.014 0.000 0.940 479 V HN 1.153 nan 8.190 nan 0.000 0.489 480 G N 2.843 111.639 108.800 -0.007 0.000 2.189 480 G HA2 -0.235 3.716 3.960 -0.015 0.000 0.267 480 G HA3 -0.235 3.716 3.960 -0.015 0.000 0.267 480 G C 0.569 175.482 174.900 0.022 0.000 0.975 480 G CA 0.801 45.903 45.100 0.004 0.000 0.644 480 G HN 1.334 nan 8.290 nan 0.000 0.537 481 A N -0.426 122.413 122.820 0.033 0.000 3.110 481 A HA 0.749 5.060 4.320 -0.015 0.000 0.206 481 A C 2.249 179.875 177.584 0.071 0.000 2.150 481 A CA 1.063 53.136 52.037 0.060 0.000 1.708 481 A CB -0.713 18.332 19.000 0.076 0.000 1.207 481 A HN 1.370 nan 8.150 nan 0.000 0.367 482 G N -1.145 107.712 108.800 0.096 0.000 2.920 482 G HA2 0.381 4.331 3.960 -0.015 0.000 0.208 482 G HA3 0.381 4.331 3.960 -0.015 0.000 0.208 482 G C -0.079 174.733 174.900 -0.147 0.000 1.159 482 G CA 0.609 45.764 45.100 0.092 0.000 0.784 482 G HN 0.404 nan 8.290 nan 0.000 0.535 483 L N 1.111 122.270 121.223 -0.107 0.000 2.406 483 L HA 0.490 4.821 4.340 -0.015 0.000 0.270 483 L C -0.425 176.357 176.870 -0.146 0.000 0.982 483 L CA -0.363 54.353 54.840 -0.206 0.000 0.843 483 L CB 1.855 43.785 42.059 -0.215 0.000 1.225 483 L HN -0.153 nan 8.230 nan 0.000 0.412 484 T N 3.067 117.526 114.554 -0.158 0.000 2.814 484 T HA 0.206 4.547 4.350 -0.015 0.000 0.297 484 T C -0.587 174.052 174.700 -0.102 0.000 0.956 484 T CA 0.119 62.158 62.100 -0.101 0.000 1.123 484 T CB 0.322 69.140 68.868 -0.083 0.000 0.902 484 T HN 0.443 nan 8.240 nan 0.000 0.528 485 D N 3.844 124.199 120.400 -0.076 0.000 2.460 485 D HA 0.348 4.979 4.640 -0.015 0.000 0.232 485 D C -1.517 174.752 176.300 -0.052 0.000 1.079 485 D CA -2.290 51.666 54.000 -0.072 0.000 0.864 485 D CB 1.740 42.501 40.800 -0.065 0.000 1.048 485 D HN 0.171 nan 8.370 nan 0.000 0.523 486 P HA -0.045 nan 4.420 nan 0.000 0.215 486 P C 0.926 178.204 177.300 -0.035 0.000 1.157 486 P CA 0.742 63.818 63.100 -0.040 0.000 0.856 486 P CB 0.214 31.888 31.700 -0.043 0.000 0.786 487 E N -0.443 119.732 120.200 -0.042 0.000 2.481 487 E HA 0.031 4.372 4.350 -0.015 0.000 0.195 487 E C -0.222 176.359 176.600 -0.032 0.000 1.047 487 E CA 0.308 56.686 56.400 -0.036 0.000 0.867 487 E CB -0.576 29.099 29.700 -0.042 0.000 0.858 487 E HN -0.116 nan 8.360 nan 0.000 0.513 488 S N -0.105 115.574 115.700 -0.034 0.000 3.572 488 S HA -0.164 4.297 4.470 -0.015 0.000 0.394 488 S C 0.360 174.944 174.600 -0.026 0.000 0.923 488 S CA 0.449 58.632 58.200 -0.028 0.000 1.291 488 S CB -1.541 61.647 63.200 -0.019 0.000 0.914 488 S HN 0.689 nan 8.310 nan 0.000 0.545 489 A N -0.727 122.074 122.820 -0.032 0.000 2.508 489 A HA 0.564 4.875 4.320 -0.015 0.000 0.250 489 A C 1.445 179.033 177.584 0.006 0.000 1.208 489 A CA 0.537 52.561 52.037 -0.021 0.000 0.960 489 A CB 0.360 19.339 19.000 -0.035 0.000 1.099 489 A HN 0.508 nan 8.150 nan 0.000 0.542 490 V N -0.015 119.896 119.914 -0.005 0.000 2.346 490 V HA -0.155 3.956 4.120 -0.015 0.000 0.244 490 V C 2.671 178.804 176.094 0.065 0.000 1.037 490 V CA 2.495 64.805 62.300 0.016 0.000 1.029 490 V CB -0.412 31.348 31.823 -0.105 0.000 0.663 490 V HN 0.544 nan 8.190 nan 0.000 0.454 491 S N -0.320 115.389 115.700 0.016 0.000 2.365 491 S HA -0.309 4.151 4.470 -0.015 0.000 0.225 491 S C 1.974 176.597 174.600 0.038 0.000 1.039 491 S CA 2.144 60.357 58.200 0.021 0.000 1.033 491 S CB -0.325 62.878 63.200 0.005 0.000 0.887 491 S HN 0.744 nan 8.310 nan 0.000 0.447 492 E N 0.658 120.873 120.200 0.024 0.000 2.072 492 E HA -0.131 4.210 4.350 -0.015 0.000 0.191 492 E C 2.230 178.833 176.600 0.005 0.000 0.985 492 E CA 0.657 57.060 56.400 0.005 0.000 0.801 492 E CB 0.089 29.783 29.700 -0.009 0.000 0.750 492 E HN 0.180 nan 8.360 nan 0.000 0.452 493 R N -0.384 120.140 120.500 0.040 0.000 2.090 493 R HA -0.092 4.239 4.340 -0.015 0.000 0.228 493 R C 1.889 178.140 176.300 -0.081 0.000 1.110 493 R CA 1.022 57.112 56.100 -0.016 0.000 0.973 493 R CB -0.642 29.659 30.300 0.002 0.000 0.869 493 R HN 0.354 nan 8.270 nan 0.000 0.440 494 Y N 0.163 120.420 120.300 -0.071 0.000 2.546 494 Y HA 0.154 4.695 4.550 -0.016 0.000 0.287 494 Y C 1.363 177.203 175.900 -0.100 0.000 1.158 494 Y CA 0.644 58.699 58.100 -0.075 0.000 1.307 494 Y CB -0.068 38.359 38.460 -0.054 0.000 1.036 494 Y HN 0.324 nan 8.280 nan 0.000 0.532 495 G N 1.559 110.376 108.800 0.028 0.000 2.273 495 G HA2 -0.302 3.649 3.960 -0.015 0.000 0.280 495 G HA3 -0.302 3.649 3.960 -0.015 0.000 0.280 495 G C 0.760 175.633 174.900 -0.046 0.000 1.047 495 G CA 0.712 45.794 45.100 -0.031 0.000 0.869 495 G HN 0.664 nan 8.290 nan 0.000 0.502 496 I N -2.676 117.880 120.570 -0.022 0.000 3.956 496 I HA 0.510 4.671 4.170 -0.015 0.000 0.333 496 I C 1.602 177.705 176.117 -0.023 0.000 1.302 496 I CA 0.246 61.511 61.300 -0.058 0.000 1.122 496 I CB -0.075 37.881 38.000 -0.073 0.000 1.013 496 I HN 0.971 nan 8.210 nan 0.000 0.405 497 G N 2.818 111.614 108.800 -0.007 0.000 2.581 497 G HA2 -0.375 3.576 3.960 -0.015 0.000 0.291 497 G HA3 -0.375 3.576 3.960 -0.015 0.000 0.291 497 G C 0.579 175.493 174.900 0.024 0.000 1.277 497 G CA 0.820 45.925 45.100 0.009 0.000 0.959 497 G HN 0.457 nan 8.290 nan 0.000 0.554 498 K N -0.130 120.293 120.400 0.039 0.000 2.166 498 K HA 0.416 4.726 4.320 -0.015 0.000 0.201 498 K C 2.702 179.357 176.600 0.092 0.000 1.052 498 K CA 1.151 57.469 56.287 0.052 0.000 0.969 498 K CB 0.056 32.583 32.500 0.044 0.000 0.761 498 K HN 0.593 nan 8.250 nan 0.000 0.459 499 A N 0.798 123.689 122.820 0.118 0.000 2.229 499 A HA 0.260 4.571 4.320 -0.015 0.000 0.211 499 A C 1.177 178.984 177.584 0.372 0.000 1.193 499 A CA 0.216 52.379 52.037 0.211 0.000 0.879 499 A CB 0.036 19.139 19.000 0.172 0.000 0.911 499 A HN 0.279 nan 8.150 nan 0.000 0.492 500 G N -0.789 108.128 108.800 0.195 0.000 2.525 500 G HA2 0.557 4.508 3.960 -0.015 0.000 0.276 500 G HA3 0.557 4.508 3.960 -0.015 0.000 0.276 500 G C -0.065 174.666 174.900 -0.283 0.000 1.388 500 G CA 0.303 45.425 45.100 0.036 0.000 1.050 500 G HN 1.274 nan 8.290 nan 0.000 0.520 501 A N -2.016 120.479 122.820 -0.542 0.000 2.608 501 A HA 0.689 5.000 4.320 -0.015 0.000 0.292 501 A C -0.723 176.623 177.584 -0.396 0.000 1.066 501 A CA -0.037 51.653 52.037 -0.579 0.000 0.676 501 A CB 1.379 19.695 19.000 -1.139 0.000 1.277 501 A HN 1.464 nan 8.150 nan 0.000 0.413 502 S N 0.127 115.728 115.700 -0.165 0.000 2.672 502 S HA 0.595 5.056 4.470 -0.015 0.000 0.291 502 S C -1.687 172.972 174.600 0.099 0.000 1.145 502 S CA -0.393 57.788 58.200 -0.032 0.000 1.013 502 S CB 0.846 64.101 63.200 0.092 0.000 1.017 502 S HN 1.455 nan 8.310 nan 0.000 0.487 503 L N 6.475 127.837 121.223 0.232 0.000 2.282 503 L HA 0.751 5.082 4.340 -0.015 0.000 0.288 503 L C -1.122 175.830 176.870 0.137 0.000 1.033 503 L CA -0.202 54.789 54.840 0.252 0.000 0.807 503 L CB 1.376 43.669 42.059 0.389 0.000 1.209 503 L HN 0.477 nan 8.230 nan 0.000 0.423 504 V N 5.940 125.845 119.914 -0.017 0.000 2.555 504 V HA 0.557 4.668 4.120 -0.015 0.000 0.302 504 V C 0.459 176.251 176.094 -0.505 0.000 1.038 504 V CA -0.797 61.292 62.300 -0.351 0.000 0.887 504 V CB 1.810 33.110 31.823 -0.872 0.000 0.991 504 V HN 0.756 nan 8.190 nan 0.000 0.434 505 R N 4.056 124.108 120.500 -0.747 0.000 2.652 505 R HA 0.271 4.602 4.340 -0.015 0.000 0.272 505 R C -1.664 173.888 176.300 -1.246 0.000 1.162 505 R CA -1.272 53.984 56.100 -1.406 0.000 1.199 505 R CB 0.165 29.810 30.300 -1.092 0.000 1.166 505 R HN 0.418 nan 8.270 nan 0.000 0.597 506 P HA -0.091 nan 4.420 nan 0.000 0.230 506 P C -0.328 176.582 177.300 -0.651 0.000 1.158 506 P CA 1.101 63.561 63.100 -1.067 0.000 0.769 506 P CB 0.179 31.119 31.700 -1.268 0.000 0.807 507 D N -2.877 117.124 120.400 -0.664 0.000 2.398 507 D HA 0.181 4.812 4.640 -0.015 0.000 0.210 507 D C 1.270 177.406 176.300 -0.272 0.000 1.094 507 D CA 0.172 54.026 54.000 -0.243 0.000 0.839 507 D CB -0.612 40.195 40.800 0.012 0.000 0.963 507 D HN 0.113 nan 8.370 nan 0.000 0.506 508 G N 0.405 108.995 108.800 -0.350 0.000 2.131 508 G HA2 -0.185 3.766 3.960 -0.015 0.000 0.223 508 G HA3 -0.185 3.766 3.960 -0.015 0.000 0.223 508 G C -0.239 174.450 174.900 -0.352 0.000 0.990 508 G CA -0.089 44.821 45.100 -0.317 0.000 0.671 508 G HN 0.280 nan 8.290 nan 0.000 0.521 509 I N 1.203 121.576 120.570 -0.328 0.000 2.385 509 I HA 0.382 4.543 4.170 -0.015 0.000 0.294 509 I C 1.048 177.024 176.117 -0.236 0.000 0.988 509 I CA -1.146 60.016 61.300 -0.230 0.000 1.265 509 I CB 1.533 39.486 38.000 -0.078 0.000 1.388 509 I HN -0.117 nan 8.210 nan 0.000 0.480 510 V N 6.286 126.105 119.914 -0.159 0.000 2.470 510 V HA 0.159 4.270 4.120 -0.015 0.000 0.276 510 V C 1.244 177.348 176.094 0.017 0.000 1.040 510 V CA -0.013 62.241 62.300 -0.077 0.000 1.008 510 V CB 0.806 32.602 31.823 -0.045 0.000 0.990 510 V HN 0.986 nan 8.190 nan 0.000 0.477 511 A N 4.865 127.747 122.820 0.103 0.000 2.030 511 A HA 0.225 4.536 4.320 -0.015 0.000 0.215 511 A C 0.347 178.124 177.584 0.323 0.000 1.164 511 A CA 0.413 52.590 52.037 0.234 0.000 0.697 511 A CB 0.117 19.346 19.000 0.382 0.000 0.827 511 A HN 0.924 nan 8.150 nan 0.000 0.457 512 W N -0.576 120.754 121.300 0.049 0.000 3.319 512 W HA 0.502 5.152 4.660 -0.016 0.000 0.300 512 W C -1.350 175.161 176.519 -0.013 0.000 1.244 512 W CA -0.605 56.755 57.345 0.026 0.000 1.193 512 W CB 0.597 30.078 29.460 0.036 0.000 1.359 512 W HN 0.361 nan 8.180 nan 0.000 0.568 513 R N 1.921 121.705 120.500 -1.194 0.000 2.712 513 R HA 0.883 5.214 4.340 -0.015 0.000 0.272 513 R C -1.746 173.681 176.300 -1.456 0.000 1.032 513 R CA -0.902 54.436 56.100 -1.270 0.000 0.874 513 R CB 2.007 31.998 30.300 -0.516 0.000 1.256 513 R HN 0.353 nan 8.270 nan 0.000 0.468 514 T N 0.287 114.228 114.554 -1.021 0.000 2.883 514 T HA 0.241 4.582 4.350 -0.015 0.000 0.301 514 T C -0.923 173.612 174.700 -0.276 0.000 1.158 514 T CA -0.581 61.213 62.100 -0.510 0.000 1.007 514 T CB 1.687 70.390 68.868 -0.276 0.000 1.186 514 T HN 0.756 nan 8.240 nan 0.000 0.499 515 D N -0.433 119.892 120.400 -0.126 0.000 2.462 515 D HA 0.141 4.771 4.640 -0.015 0.000 0.221 515 D C 0.436 176.749 176.300 0.022 0.000 1.173 515 D CA -0.334 53.633 54.000 -0.055 0.000 0.831 515 D CB 0.399 41.169 40.800 -0.051 0.000 1.001 515 D HN 0.814 nan 8.370 nan 0.000 0.499 516 E N -1.046 119.201 120.200 0.079 0.000 2.442 516 E HA 0.675 5.016 4.350 -0.015 0.000 0.271 516 E C -1.287 175.477 176.600 0.273 0.000 1.002 516 E CA -1.495 54.988 56.400 0.139 0.000 0.864 516 E CB 0.878 30.637 29.700 0.098 0.000 1.573 516 E HN -0.048 nan 8.360 nan 0.000 0.456 517 A N 0.401 123.359 122.820 0.232 0.000 2.310 517 A HA 0.710 5.021 4.320 -0.015 0.000 0.299 517 A C -0.067 177.624 177.584 0.179 0.000 1.147 517 A CA -0.011 52.168 52.037 0.238 0.000 0.818 517 A CB 0.831 19.880 19.000 0.081 0.000 1.096 517 A HN 0.683 nan 8.150 nan 0.000 0.495 518 A N 0.859 123.744 122.820 0.109 0.000 2.304 518 A HA 0.593 4.904 4.320 -0.015 0.000 0.271 518 A C 1.412 178.963 177.584 -0.055 0.000 1.091 518 A CA 0.167 52.244 52.037 0.066 0.000 0.812 518 A CB 0.076 19.116 19.000 0.067 0.000 1.056 518 A HN 1.935 nan 8.150 nan 0.000 0.489 519 A N -0.078 122.732 122.820 -0.016 0.000 1.930 519 A HA 0.066 4.377 4.320 -0.015 0.000 0.217 519 A C 0.764 178.298 177.584 -0.083 0.000 1.175 519 A CA 1.954 53.968 52.037 -0.039 0.000 0.627 519 A CB -0.111 18.883 19.000 -0.010 0.000 0.815 519 A HN 0.800 nan 8.150 nan 0.000 0.443 520 D N -2.215 118.126 120.400 -0.097 0.000 2.478 520 D HA 0.538 5.169 4.640 -0.015 0.000 0.240 520 D C 0.491 176.688 176.300 -0.172 0.000 1.364 520 D CA 0.278 54.203 54.000 -0.124 0.000 0.987 520 D CB 1.493 42.250 40.800 -0.072 0.000 1.328 520 D HN 0.027 nan 8.370 nan 0.000 0.584 521 A N 3.276 125.907 122.820 -0.316 0.000 1.929 521 A HA 0.153 4.464 4.320 -0.015 0.000 0.216 521 A C 2.055 179.551 177.584 -0.147 0.000 1.176 521 A CA 1.632 53.364 52.037 -0.509 0.000 0.628 521 A CB -0.330 18.101 19.000 -0.948 0.000 0.816 521 A HN 0.604 nan 8.150 nan 0.000 0.444 522 A N -0.683 122.071 122.820 -0.111 0.000 1.902 522 A HA -0.224 4.087 4.320 -0.015 0.000 0.217 522 A C 2.222 179.779 177.584 -0.044 0.000 1.181 522 A CA 1.798 53.806 52.037 -0.048 0.000 0.623 522 A CB -0.585 18.384 19.000 -0.052 0.000 0.818 522 A HN 0.576 nan 8.150 nan 0.000 0.443 523 Q N -0.328 119.442 119.800 -0.051 0.000 2.061 523 Q HA -0.190 4.141 4.340 -0.015 0.000 0.204 523 Q C 2.008 177.984 176.000 -0.041 0.000 0.984 523 Q CA 2.493 58.270 55.803 -0.042 0.000 0.846 523 Q CB -0.625 28.092 28.738 -0.035 0.000 0.902 523 Q HN 0.559 nan 8.270 nan 0.000 0.421 524 T N 1.833 116.378 114.554 -0.016 0.000 2.746 524 T HA -0.134 4.207 4.350 -0.015 0.000 0.267 524 T C 1.801 176.424 174.700 -0.128 0.000 1.039 524 T CA 1.210 63.307 62.100 -0.004 0.000 1.142 524 T CB -0.222 68.738 68.868 0.154 0.000 0.866 524 T HN 0.200 nan 8.240 nan 0.000 0.444 525 L N 1.117 122.296 121.223 -0.074 0.000 2.109 525 L HA 0.133 4.463 4.340 -0.015 0.000 0.207 525 L C 2.409 179.159 176.870 -0.199 0.000 1.086 525 L CA 1.683 56.418 54.840 -0.174 0.000 0.760 525 L CB -0.520 41.548 42.059 0.016 0.000 0.910 525 L HN 0.232 nan 8.230 nan 0.000 0.437 526 E N -0.935 119.187 120.200 -0.129 0.000 2.110 526 E HA -0.179 4.162 4.350 -0.015 0.000 0.193 526 E C 2.031 178.542 176.600 -0.148 0.000 0.988 526 E CA 1.064 57.387 56.400 -0.129 0.000 0.804 526 E CB -0.330 29.316 29.700 -0.088 0.000 0.745 526 E HN 0.590 nan 8.360 nan 0.000 0.458 527 G N 0.204 108.917 108.800 -0.144 0.000 2.421 527 G HA2 -0.168 3.783 3.960 -0.015 0.000 0.217 527 G HA3 -0.168 3.783 3.960 -0.015 0.000 0.217 527 G C 1.608 176.406 174.900 -0.170 0.000 1.143 527 G CA 0.610 45.635 45.100 -0.126 0.000 0.784 527 G HN 0.206 nan 8.290 nan 0.000 0.541 528 V N 0.563 120.304 119.914 -0.288 0.000 2.323 528 V HA -0.039 4.072 4.120 -0.015 0.000 0.244 528 V C 2.848 178.779 176.094 -0.272 0.000 1.041 528 V CA 1.263 63.332 62.300 -0.384 0.000 1.025 528 V CB -0.297 31.015 31.823 -0.853 0.000 0.656 528 V HN 0.318 nan 8.190 nan 0.000 0.451 529 L N -0.721 120.326 121.223 -0.294 0.000 2.056 529 L HA -0.141 4.189 4.340 -0.015 0.000 0.207 529 L C 2.780 179.511 176.870 -0.232 0.000 1.078 529 L CA 1.514 56.162 54.840 -0.319 0.000 0.749 529 L CB -0.437 41.402 42.059 -0.367 0.000 0.901 529 L HN 0.214 nan 8.230 nan 0.000 0.433 530 R N -0.631 119.767 120.500 -0.171 0.000 2.105 530 R HA -0.220 4.111 4.340 -0.015 0.000 0.239 530 R C 2.375 178.627 176.300 -0.080 0.000 1.135 530 R CA 1.557 57.588 56.100 -0.114 0.000 0.967 530 R CB -0.280 29.967 30.300 -0.088 0.000 0.861 530 R HN 0.304 nan 8.270 nan 0.000 0.442 531 R N 0.713 121.168 120.500 -0.076 0.000 2.062 531 R HA -0.090 4.241 4.340 -0.015 0.000 0.229 531 R C 2.228 178.526 176.300 -0.003 0.000 1.128 531 R CA 1.542 57.623 56.100 -0.033 0.000 0.960 531 R CB -0.047 30.238 30.300 -0.026 0.000 0.855 531 R HN 0.224 nan 8.270 nan 0.000 0.432 532 V N -1.303 118.610 119.914 -0.000 0.000 2.871 532 V HA 0.009 4.120 4.120 -0.015 0.000 0.256 532 V C 1.701 177.854 176.094 0.099 0.000 1.082 532 V CA 1.235 63.589 62.300 0.090 0.000 1.105 532 V CB -0.301 31.640 31.823 0.196 0.000 0.713 532 V HN 0.216 nan 8.190 nan 0.000 0.473 533 L N 0.564 121.789 121.223 0.004 0.000 2.592 533 L HA 0.303 4.634 4.340 -0.015 0.000 0.227 533 L C 0.972 177.845 176.870 0.006 0.000 1.127 533 L CA 0.704 55.552 54.840 0.013 0.000 0.884 533 L CB -0.536 41.472 42.059 -0.086 0.000 1.065 533 L HN 0.504 nan 8.230 nan 0.000 0.457 534 D N 1.252 121.654 120.400 0.004 0.000 2.697 534 D HA -0.186 4.445 4.640 -0.015 0.000 0.238 534 D C 0.159 176.454 176.300 -0.008 0.000 1.152 534 D CA 0.622 54.624 54.000 0.003 0.000 0.666 534 D CB -0.030 40.779 40.800 0.014 0.000 1.037 534 D HN 0.255 nan 8.370 nan 0.000 0.423 535 R N 0.000 120.485 120.500 -0.026 0.000 2.786 535 R HA 0.000 4.331 4.340 -0.015 0.000 0.208 535 R CA 0.000 56.083 56.100 -0.029 0.000 0.921 535 R CB 0.000 30.274 30.300 -0.043 0.000 0.687 535 R HN 0.000 nan 8.270 nan 0.000 0.535